data_r4d5usf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4d5u 
_cell.length_a      159.7298 
_cell.length_b      115.6903 
_cell.length_c      222.8539 
_cell.angle_alpha   90.0000 
_cell.angle_beta    104.9506 
_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   0.97945 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   3.500 
_diffrn_reflns.pdbx_d_res_low    144.290 
_diffrn_reflns.limit_h_max       44 
_diffrn_reflns.limit_h_min       -45 
_diffrn_reflns.limit_k_max       33 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       63 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            49695 
_diffrn_reflns.pdbx_number_obs   48407 
# 
_entry.id   4d5u 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4d5u 
_symmetry.space_group_name_H-M   'I 1 2 1' 
_symmetry.Int_Tables_number      4005 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'               
2 '-X,  Y,  -Z'             
3 'X+1/2,  Y+1/2,  Z+1/2'   
4 '-X+1/2,  Y+1/2,  -Z+1/2' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -45    0    7 o  238.814  170.288  -6.9395   5.6466  -6.9395   5.6466  -6.9395   5.6466  238.814  170.288  238.814  170.288 -0.000000 0.000000 
1 1 1  -45    0    9 o  324.893  221.273  -2.0421   6.9113  -2.0421   6.9113  -2.0421   6.9113  324.893  221.273  324.893  221.273 -0.000000 0.000000 
1 1 1  -45    0   11 o  365.858  239.778   0.8807   6.8506   0.8807   6.8506   0.8807   6.8506  365.858  239.778  365.858  239.778 -0.000000 0.000000 
1 1 1  -45    0   13 o  539.855  299.666   8.5423   7.4666   8.5423   7.4666   8.5423   7.4666  539.855  299.666  539.855  299.666 -0.000000 0.000000 
1 1 1  -45    0   15 o  226.493  162.768  -8.2690   5.5838  -8.2690   5.5838  -8.2690   5.5838  226.493  162.768  226.493  162.768 -0.000000 0.000000 
1 1 1  -45    0   17 o  484.875  275.838   6.5199   6.5260   6.5199   6.5260   6.5199   6.5260  484.875  275.838  484.875  275.838 -0.000000 0.000000 
1 1 1  -45    0   19 o  438.626  269.725   4.4675   7.1835   4.4675   7.1835   4.4675   7.1835  438.626  269.725  438.626  269.725 -0.000000 0.000000 
1 1 1  -45    0   21 o  473.511  254.427   6.1270   5.2040   6.1270   5.2040   6.1270   5.2040  473.511  254.427  473.511  254.427 -0.000000 0.000000 
1 1 1  -45    0   23 o  430.522  246.031   4.8572   5.2229   4.8572   5.2229   4.8572   5.2229  430.522  246.031  430.522  246.031 -0.000000 0.000000 
1 1 1  -45    0   25 o  455.642  251.082   5.6435   5.1987   5.6435   5.1987   5.6435   5.1987  455.642  251.082  455.642  251.082 -0.000000 0.000000 
1 1 1  -45    1    8 o  475.826  195.053   2.9397   4.6397   9.0848   7.0679  -1.7136   6.1504  660.836  249.683  428.909  197.654 231.9279 318.4468 
1 1 1  -45    1   10 o  521.005  203.780   4.4437   4.8229  -9.3865   7.4558   14.394   6.3242  385.419  188.178  828.111  233.701 -442.6917 300.0455 
1 1 1  -45    1   12 o  453.940  191.888   2.0337   4.6943   8.5168   7.0205  -3.2087   6.3132  645.693  247.666  413.021  193.637 232.6719 314.3777 
1 1 1  -45    1   14 o  760.059  210.829   11.654   5.1934   19.143   7.6655   5.3003   7.0609  932.239  255.162  571.477  238.033 360.7618 348.9521 
1 1 1  -45    1   16 o  742.117  203.926   11.023   4.8849   17.481   6.9566   4.7420   6.8609  901.205  241.590  554.911  233.134 346.2945 335.7341 
1 1 1  -45    1   18 o  350.233  163.599  -2.5607   4.4373  -1.7855   5.8965  -3.5728   6.7378  415.406  192.166  417.557  197.086 -2.150879 275.2651 
1 1 1  -45    1   20 o  343.139  155.696  -0.9225   3.6263  -0.4570   5.2262  -1.3548   5.0358  412.918  187.183  391.304  179.777 21.61404 259.5325 
1 1 1  -45    1   22 o  517.603  179.610   5.0512   3.5567   5.9647   4.8865   4.0221   5.1866  553.631  207.945  502.853  206.192 50.77820 292.8415 
1 1 1  -45    1   24 o  355.136  155.305   0.4048   3.2801  -2.4858   4.7087   3.1300   4.5720  356.591  167.196  464.860  192.408 -108.2693 254.9022 
1 1 1  -45    1   26 o  284.414  137.420  -4.3825   3.7120  -7.1796   5.2088  -1.4961   5.2912  316.405  155.074  388.363  180.482 -71.95786 237.9534 
1 1 1  -45    2    7 o  334.404  159.704  -4.5664   4.6867  -0.5856   6.5913  -8.6371   6.6654  458.780  208.837  366.186  178.597 92.59409 274.7899 
1 1 1  -45    2    9 o  408.517  180.361   0.2485   4.5209  -3.2211   6.8892   2.8727   5.9915  431.405  202.262  505.550  215.369 -74.14468 295.4557 
1 1 1  -45    2   11 o  453.178  190.568   2.1057   4.5911   5.8809   7.1270  -0.5721   6.0025  586.869  241.295  441.979  200.455 144.8899 313.6964 
1 1 1  -45    2   13 o  393.234  176.225  -0.3976   4.4833   10.317   6.7979  -8.6454   5.9644  692.976  247.640  340.733  166.773 352.2431 298.5613 
1 1 1  -45    2   15 o  684.349  213.441   9.5177   5.0696   22.468   7.5398  -1.1687   6.8490  1035.83  237.525  455.178  209.320 580.6528 316.5963 
1 1 1  -45    2   17 o  419.330  182.997   0.8669   4.5332   7.4141   5.7945  -9.4619   7.2780  609.046  226.894  376.384  184.223 232.6620 292.2654 
1 1 1  -45    2   19 o  330.834  153.803  -2.1354   3.8481  -1.0689   4.5590  -4.7780   7.1763  379.871  173.213  415.691  198.274 -35.81964 263.2784 
1 1 1  -45    2   21 o  241.465  118.684  -5.5489   3.1207  -8.1802   4.4561  -3.0163   4.3718  280.234  138.508  338.299  159.396 -58.06488 211.1674 
1 1 1  -45    2   23 o  485.731  182.894   4.1903   3.7846   5.4495   5.2939   2.8740   5.4127  539.010  212.676  478.141  204.222 60.86887 294.8519 
1 1 1  -45    2   25 o  631.318  180.512   7.9898   3.7476   9.8690   5.3967   6.2396   5.2083  665.581  221.402  554.345  213.154 111.2363 307.3327 
1 1 1  -45    3    8 o  598.214  217.622   6.8710   5.2781   7.3372   7.3322   6.3695   7.6040  621.018  248.583  602.618  248.676 18.39972 351.6157 
1 1 1  -45    3   10 o  550.958  202.099   5.5059   4.5656   14.692   6.3041  -4.6270   6.6209  839.416  232.076  406.273  192.827 433.1427 301.7305 
1 1 1  -45    3   12 o  890.564  187.938   15.070   5.0761   19.127   7.0458   10.691   7.3194  957.528  236.411  701.059  256.083 256.4681 348.5240 
1 1 1  -45    3   14 o  544.666  206.044   5.2853   4.8170   2.3589   7.3571   7.4809   6.3728  522.541  230.424  616.867  236.118 -94.32599 329.9192 
1 1 1  -45    3   16 o  794.435  196.353   12.368   4.8564   9.5038   6.0903   17.369   8.0480  671.294  234.913  864.957  268.788 -193.6631 356.9749 
1 1 1  -45    3   18 o  995.916  158.084   18.007   4.7651   20.417   5.7763   12.875   8.4304  1036.85  184.688  733.946  273.629 302.9006 330.1245 
1 1 1  -45    3   20 f  610.286  181.778   7.2426   3.7333   7.1648   5.6660   7.3022   4.9629  596.250  223.923  601.248  211.940 -4.997559 308.3180 
1 1 1  -45    3   22 o  445.219  172.195   3.1472   3.4142   4.3498   4.8712   1.9858   4.7867  507.223  202.763  446.243  191.361 60.98013 278.8047 
1 1 1  -45    3   24 o  442.187  170.153   3.1966   3.3205  -0.0853   4.8523   6.0869   4.5537  402.141  181.503  552.381  201.955 -150.2397 271.5313 
1 1 1  -45    4   11 o  886.310  186.870   14.874   5.0227   3.2325   6.9069   27.940   7.3173  531.680  228.968  1208.21  200.441 -676.5316 304.3070 
1 1 1  -45    4   13 o  595.340  192.032   6.7815   4.0737   7.3558   5.1567   5.8282   6.6441  612.606  216.028  580.220  235.082 32.38617 319.2674 
1 1 1  -45    4   15 o  513.091  196.515   4.4358   4.4160   6.1973   5.3990   0.8752   7.6759  576.269  218.105  505.515  228.210 70.75391 315.6733 
1 1 1  -45    4   17 o  541.751  195.425   5.4179   4.2433  -2.2752   5.1524   21.636   7.4809  384.051  178.352  1009.91  240.089 -625.8591 299.0854 
1 1 1  -45    4   19 o  408.421  165.341   2.0579   3.2838  -0.2247   4.8595   3.9761   4.4548  406.751  182.790  495.638  195.243 -88.88663 267.4553 
1 1 1  -45    4   21 o  460.000  177.726   3.4024   3.6341   5.6169   5.1156   1.1462   5.1635  547.998  211.105  440.426  193.670 107.5722 286.4843 
1 1 1  -45    4   23 o  225.096  111.995  -6.8857   3.1039  -5.2996   4.8917  -7.9548   4.0159  327.966  158.286  261.276  129.557 66.69046 204.5469 
1 1 1  -45    5   12 o  571.389  193.354   6.1357   4.1153   7.2541   4.9138   3.5089   7.5310  610.758  211.161  548.232  237.583 62.52594 317.8596 
1 1 1  -45    5   14 o  425.107  181.403   1.3815   4.2636  -1.3995   5.3042   6.4588   7.1670  405.562  185.654  599.264  243.664 -193.7021 306.3328 
1 1 1  -45    5   16 o  381.624  170.813  -0.3947   4.1985  -3.0567   5.1783   4.7131   7.1729  374.378  175.472  560.819  237.140 -186.4410 295.0011 
1 1 1  -45    5   18 o  526.760  176.107   5.1310   3.4135   6.9045   4.8967   3.4546   4.7609  593.119  210.366  488.502  198.608 104.6173 289.3078 
1 1 1  -45    5   20 o  857.926  148.171   13.256   3.8365   10.644   5.8957   15.175   5.0527  701.833  231.313  885.414  188.054 -183.5817 298.1110 
1 1 1  -44    0    2 o  651.550  265.184   10.459   5.3122   10.459   5.3122   10.459   5.3122  651.550  265.184  651.550  265.184 -0.000000 0.000000 
1 1 1  -44    0    4 o  242.396  169.690  -4.0548   4.8159  -4.0548   4.8159  -4.0548   4.8159  242.396  169.690  242.396  169.690 -0.000000 0.000000 
1 1 1  -44    0    6 o  321.371  204.330   1.2454   4.4977   1.2454   4.4977   1.2454   4.4977  321.371  204.330  321.371  204.330 -0.000000 0.000000 
1 1 1  -44    0    8 o  538.953  258.841   7.6922   5.0445   7.6922   5.0445   7.6922   5.0445  538.953  258.841  538.953  258.841 -0.000000 0.000000 
1 1 1  -44    0   10 o  694.003  319.242   13.259   7.6083   13.259   7.6083   13.259   7.6083  694.003  319.242  694.003  319.242 -0.000000 0.000000 
1 1 1  -44    0   12 o  618.297  264.815   9.5871   5.2401   9.5871   5.2401   9.5871   5.2401  618.297  264.815  618.297  264.815 -0.000000 0.000000 
1 1 1  -44    0   14 f  245.795  171.248  -3.6296   4.7432  -3.6296   4.7432  -3.6296   4.7432  245.795  171.248  245.795  171.248 -0.000000 0.000000 
1 1 1  -44    0   16 o  245.193  175.800  -8.8451   6.3555  -8.8451   6.3555  -8.8451   6.3555  245.193  175.800  245.193  175.800 -0.000000 0.000000 
1 1 1  -44    0   18 o  500.053  289.314   6.8842   7.3595   6.8842   7.3595   6.8842   7.3595  500.053  289.314  500.053  289.314 -0.000000 0.000000 
1 1 1  -44    0   20 o  397.784  245.819   3.1809   6.0349   3.1809   6.0349   3.1809   6.0349  397.784  245.819  397.784  245.819 -0.000000 0.000000 
1 1 1  -44    0   22 o  533.212  295.911   8.1477   7.2788   8.1477   7.2788   8.1477   7.2788  533.212  295.911  533.212  295.911 -0.000000 0.000000 
1 1 1  -44    0   24 o  237.696  169.517  -7.0285   5.6037  -7.0285   5.6037  -7.0285   5.6037  237.696  169.517  237.696  169.517 -0.000000 0.000000 
1 1 1  -44    0   26 o  248.403  177.461  -7.9598   6.2449  -7.9598   6.2449  -7.9598   6.2449  248.403  177.461  248.403  177.461 -0.000000 0.000000 
1 1 1  -44    0   28 f  438.010  246.508   5.0700   5.1379   5.0700   5.1379   5.0700   5.1379  438.010  246.508  438.010  246.508 -0.000000 0.000000 
1 1 1  -44    0   30 o  406.699  239.202   4.0753   5.1672   4.0753   5.1672   4.0753   5.1672  406.699  239.202  406.699  239.202 -0.000000 0.000000 
1 1 1  -44    0   32 o  299.383  195.836   0.2517   4.5376   0.2517   4.5376   0.2517   4.5376  299.383  195.836  299.383  195.836 -0.000000 0.000000 
1 1 1  -44    1    1 o  328.992  148.947  -1.0072   3.2970  -1.2923   4.5449  -0.6905   4.7899  379.239  172.933  399.708  180.376 -20.46890 249.8822 
1 1 1  -44    1    3 o  395.527  171.376   0.6250   3.9172   11.821   8.0001  -2.9060   4.4926  729.750  267.549  350.751  164.093 378.9990 313.8613 
1 1 1  -44    1    5 f  411.072  167.380   1.8766   3.3879   5.8178   4.7865  -2.0800   4.7959  565.796  207.025  377.383  174.130 188.4128 270.5189 
1 1 1  -44    1    7 o  317.944  145.313  -1.4214   3.2322  -6.6930   4.8950   2.6536   4.3038  319.486  155.194  462.616  188.542 -143.1302 244.1993 
1 1 1  -44    1    9 o  683.777  183.339   8.8285   4.0059  -0.5646   6.4301   14.786   5.1211  458.557  207.771  884.748  190.488 -426.1909 281.8766 
1 1 1  -44    1   11 o  296.795  139.331  -2.6572   3.2872   4.8080   4.6053 -10.4115   4.6936  532.402  201.451  275.094  137.009 257.3074 243.6271 
1 1 1  -44    1   13 o  410.812  165.962   1.9669   3.3011   0.0289   4.5154   4.1919   4.8382  405.442  179.564  516.988  203.529 -111.5463 271.4171 
1 1 1  -44    1   15 o  418.669  176.120   1.5317   3.9236   2.5695   5.9457   0.7311   5.2221  499.709  213.753  442.789  194.736 56.91995 289.1580 
1 1 1  -44    1   17 o  802.335  199.081   12.587   4.9777   10.613   6.9993   14.606   7.0804  700.516  251.181  814.869  251.930 -114.3530 355.7538 
1 1 1  -44    1   19 o  314.879  151.102  -4.6767   4.3065 -14.4111   6.6644   2.3024   5.6430  320.413  160.151  482.382  207.341 -161.9698 261.9897 
1 1 1  -44    1   21 o  509.885  201.068   4.3159   4.7292   5.7938   6.2364   2.3159   7.2547  566.613  228.389  513.284  227.451 53.32837 322.3286 
1 1 1  -44    1   23 o  473.424  194.488   3.1887   4.6253   9.0338   6.9488  -1.4612   6.1978  641.062  246.277  425.606  196.930 215.4565 315.3316 
1 1 1  -44    1   25 o  476.006  195.757   3.3994   4.6921  -2.3483   6.2374   10.892   7.1214  410.638  192.504  677.444  251.702 -266.8053 316.8778 
1 1 1  -44    1   27 o  686.988  204.712   10.077   4.7340   11.844   6.6922   8.3073   6.6975  698.070  246.106  605.389  239.104 92.68066 343.1306 
1 1 1  -44    1   29 o  690.539  161.410   9.2670   3.4274   10.492   5.0116   8.1906   4.6979  684.360  212.014  609.776  206.586 74.58362 296.0199 
1 1 1  -44    1   31 o  344.187  151.214   0.5149   3.1416  -6.0768   4.6814   5.9157   4.2374  301.933  147.775  527.021  194.485 -225.0878 244.2583 
1 1 1  -44    2    2 o  454.612  189.628   2.2346   4.4903   1.5780   5.4380   3.6416   7.9603  466.161  201.952  558.421  243.129 -92.26031 316.0637 
1 1 1  -44    2    4 o  457.496  185.416   2.6640   4.1346   4.2510   8.1650   2.1167   4.7949  574.524  248.180  461.527  194.450 112.9975 315.2838 
1 1 1  -44    2    6 o  332.085  151.078  -1.2681   3.4432  -6.3527   4.7310   4.4586   5.0208  316.033  153.298  528.541  207.572 -212.5082 258.0434 
1 1 1  -44    2    8 o  543.469  186.578   5.3449   3.8330   5.0768   6.0657   5.5230   4.9456  561.477  225.621  559.150  209.358 2.326416 307.7916 
1 1 1  -44    2   10 o  549.469  178.845   5.5213   3.5285   0.9523   5.4552   8.8078   4.6266  456.530  199.947  672.835  202.806 -216.3050 284.7971 
1 1 1  -44    2   12 o  436.320  176.705   2.3030   3.7523   10.797   6.8188  -1.3865   4.4940  714.926  248.657  377.358  172.031 337.5679 302.3655 
1 1 1  -44    2   14 o  504.778  189.853   4.2343   4.0759   0.5702   7.1480   5.9998   4.9617  493.731  221.799  572.027  210.554 -78.29559 305.8237 
1 1 1  -44    2   16 o  388.319  174.747  -0.6497   4.4592  -7.4373   6.5831   5.1052   6.0617  375.239  181.729  557.627  225.027 -182.3881 289.2447 
1 1 1  -44    2   18 o  561.875  199.808   5.9117   4.4203  -1.4363   6.2058   13.479   6.2977  433.612  199.346  796.006  235.867 -362.3944 308.8239 
1 1 1  -44    2   20 o  712.848  215.797   10.477   5.2301   19.645   7.3110   0.8675   7.4849  953.775  243.855  497.834  224.992 455.9404 331.7937 
1 1 1  -44    2   22 o  364.760  165.904  -0.9854   4.1492   7.2748   5.7595  -9.8976   5.9825  599.881  225.670  327.197  161.491 272.6836 277.5002 
1 1 1  -44    2   24 o  785.782  213.454   12.971   5.3882   18.515   7.5858   7.3261   7.6550  888.217  257.665  599.879  248.685 288.3378 358.0993 
1 1 1  -44    2   26 o  485.431  196.652   3.8688   4.6488   5.0421   7.0212   2.9529   6.2032  542.156  232.107  491.263  214.237 50.89316 315.8653 
1 1 1  -44    2   28 f  540.694  178.396   5.8408   3.5064   3.9983   5.0764   7.5219   4.8490  488.868  202.576  589.758  209.322 -100.8899 291.2949 
1 1 1  -44    2   30 o  810.326  147.526   12.341   3.6053   9.1684   5.2823   15.108   4.9330  626.780  218.808  853.372  189.540 -226.5913 289.4864 
1 1 1  -44    3    1 o  482.507  184.329   3.7162   3.8791   5.7985   5.3481   1.4045   5.6349  567.073  216.482  467.372  203.993 99.70035 297.4521 
1 1 1  -44    3    3 o  445.023  175.081   2.7611   3.5780   1.5623   5.1312   3.8955   4.9916  458.101  197.317  511.207  204.936 -53.10529 284.4871 
1 1 1  -44    3    5 o  305.106  144.485  -3.3922   3.6768  -1.4316   6.5897  -4.2786   4.4307  449.752  206.268  328.479  156.432 121.2728 258.8771 
1 1 1  -44    3    7 f  850.352  170.366   13.222   4.3782   3.6778   7.5407   18.076   5.3774  556.683  239.491  989.859  180.129 -433.1754 299.6704 
1 1 1  -44    3    9 o  369.545  161.098   0.2157   3.5047   8.0968   5.0577  -7.0636   4.8608  643.700  214.347  314.205  153.084 329.4948 263.3994 
1 1 1  -44    3   11 o  296.681  141.046  -3.5867   3.5710  -4.2578   5.5333  -3.1077   4.6748  375.063  177.507  356.578  166.999 18.48535 243.7159 
1 1 1  -44    3   13 o  447.385  178.126   2.6724   3.7447   7.3973   5.8129  -0.6795   4.8961  619.579  227.925  405.922  182.847 213.6564 292.2036 
1 1 1  -44    3   15 o  472.450  186.238   3.2516   4.0559   8.8530   6.9167   0.3161   5.0072  658.829  247.410  428.025  189.350 230.8040 311.5533 
1 1 1  -44    3   17 f  435.373  189.664   0.9908   4.8503  -0.5744   6.8967   2.5225   6.8227  467.436  213.103  516.263  224.923 -48.82755 309.8436 
1 1 1  -44    3   19 o  502.689  198.535   4.0053   4.6174   7.2407   6.1154  -0.2849   7.0422  607.740  231.616  472.749  215.453 134.9902 316.3318 
1 1 1  -44    3   21 o  549.586  203.353   5.6393   4.6388  -1.7516   6.9568   11.556   6.2247  446.794  207.406  727.819  237.574 -281.0252 315.3700 
1 1 1  -44    3   23 o  431.828  185.453   1.6176   4.5076  -0.5888   5.9133   4.6778   6.9642  430.952  196.801  546.060  232.401 -115.1083 304.5337 
1 1 1  -44    3   25 o  326.978  154.117  -2.8560   4.0936  -5.6425   5.7540  -0.0000   5.8252  356.030  171.791  433.840  197.036 -77.81033 261.4106 
1 1 1  -44    3   27 o  272.673  129.812  -2.9167   3.0457  -2.2831   4.4475  -3.4762   4.1796  348.045  162.967  319.126  151.966 28.91843 222.8272 
1 1 1  -44    3   29 o  407.540  168.157   2.2273   3.4765  -0.1738   4.7468   5.0056   5.1060  390.097  177.437  511.289  206.457 -121.1914 272.2284 
1 1 1  -44    3   31 o  312.157  143.537  -1.0291   3.2196  -0.7342   4.6117  -1.3095   4.4968  370.838  170.985  357.494  166.218 13.34396 238.4626 
1 1 1  -44    4    2 o  380.942  164.911   0.5167   3.6208  -1.6751   4.9523   3.0339   5.3072  389.554  178.717  495.734  206.417 -106.1801 273.0339 
1 1 1  -44    4    4 o  319.317  149.737  -2.8364   3.7785   1.9815   5.4543  -7.2821   5.2394  477.137  204.430  327.595  159.460 149.5423 259.2669 
1 1 1  -44    4    6 o  567.876  212.257   5.7564   5.0791   0.0000   0.0000   5.7564   5.0791  ?   ?   567.876  212.257 0.000000 212.2565 
1 1 1  -44    4    8 o  ?   ?  -12.7086   3.4143 -18.4077   4.9029  -7.3422   4.7576  ?   ?   306.805  149.908 0.000000 149.9083 
1 1 1  -44    4   10 o  576.192  193.178   6.1619   4.1074   9.9270   6.1676   3.1611   5.5061  696.609  236.702  506.196  210.467 190.4131 316.7399 
1 1 1  -44    4   12 o  523.901  201.445   4.4922   4.6517   5.9769   6.1516   2.5097   7.1087  584.861  229.738  527.369  229.680 57.49231 324.8577 
1 1 1  -44    4   14 o  772.269  168.979   10.962   3.9726   4.8641   6.5866   14.449   4.9805  562.840  231.755  875.821  187.282 -312.9811 297.9679 
1 1 1  -44    4   16 o  609.530  215.136   7.1915   5.1153   14.133   7.2420   0.2800   7.2263  801.745  255.771  490.198  221.349 311.5462 338.2516 
1 1 1  -44    4   18 o  981.401  193.572   18.421   5.7372   21.496   8.1440   15.391   8.0834  987.889  259.810  815.077  270.958 172.8121 375.3924 
1 1 1  -44    4   20 o  753.888  201.633   11.316   4.8524   5.5612   6.8171   17.226   6.9084  571.285  235.568  894.509  241.156 -323.2238 337.1182 
1 1 1  -44    4   22 o  312.730  150.165  -4.5932   4.2681  -7.0846   5.7068  -1.4307   6.4297  343.137  166.887  435.375  201.145 -92.23849 261.3625 
1 1 1  -44    4   24 f  736.734  209.614   11.312   5.0663   9.5413   7.4734   12.818   6.8916  649.091  253.727  741.644  250.218 -92.55310 356.3515 
1 1 1  -44    4   26 o  602.886  184.372   7.2811   3.8040   6.8974   5.3798   7.6649   5.3794  577.035  217.879  599.799  219.471 -22.76318 309.2557 
1 1 1  -44    4   28 o  570.563  181.233   6.5788   3.6391   4.7785   5.3257   8.1555   4.9841  512.088  209.337  610.419  212.574 -98.33032 298.3451 
1 1 1  -44    4   30 o  511.815  182.318   5.2807   3.6818   5.3962   5.2136   5.1657   5.2001  518.292  208.855  512.226  207.820 6.067017 294.6343 
1 1 1  -44    5    3 o  560.483  195.446   5.7687   4.2140   0.2834   7.0338   8.8399   5.2631  487.420  219.395  666.112  218.503 -178.6929 309.6416 
1 1 1  -44    5    5 o  403.484  174.448   0.6957   4.0413   2.2650   6.7825  -0.1682   5.0322  516.247  224.594  421.245  187.885 95.00198 292.8196 
1 1 1  -44    5    7 o  986.216  180.308   17.913   5.3629   0.0000   0.0000   17.913   5.3629  ?   ?   986.216  180.308 0.000000 180.3076 
1 1 1  -44    5    9 o  442.093  174.870   2.6055   3.5873  -0.5686   5.8922   4.4751   4.5220  443.436  200.087  522.433  199.153 -78.99686 282.3064 
1 1 1  -44    5   11 o  995.551  148.618   17.410   4.4910   21.456   7.9211   15.493   5.4520  1010.94  251.313  900.927  198.609 110.0109 320.3179 
1 1 1  -44    5   13 o  464.964  191.143   2.5600   4.4713   2.5896   5.8589   2.5188   6.9194  501.094  213.210  523.628  227.326 -22.53369 311.6660 
1 1 1  -44    5   15 o  608.905  207.718   7.1176   4.7498   2.8954   6.2354   12.955   7.3314  514.507  219.460  769.293  258.086 -254.7867 338.7795 
1 1 1  -44    5   17 o  422.322  186.245   0.4014   4.8074   1.7496   6.5909  -1.1313   7.0274  498.497  219.017  463.952  212.864 34.54501 305.4167 
1 1 1  -44    5   19 o  726.870  201.963   10.473   4.7616   8.2370   6.6825   12.780   6.7866  636.821  242.256  763.512  248.008 -126.6912 346.6930 
1 1 1  -44    5   21 o  434.904  189.581   1.1290   4.8530  -0.5948   6.8615   2.8545   6.8649  461.366  211.183  517.194  225.464 -55.82852 308.9217 
1 1 1  -44    5   23 o  326.099  156.199  -4.4988   4.5554 -11.8072   8.1215  -1.1440   5.5025  380.479  187.857  410.546  188.360 -30.06653 266.0260 
1 1 1  -44    5   25 o  413.713  168.612   2.1956   3.4420   5.4930   5.0049  -0.7636   4.7413  539.382  208.521  388.234  176.877 151.1479 273.4349 
1 1 1  -44    5   27 o  541.598  183.289   5.7980   3.6980   1.6246   5.3191   9.7022   5.1448  445.876  196.305  665.799  215.914 -219.9235 291.8130 
1 1 1  -44    5   29 o  558.192  175.544   6.2662   3.4212   11.235   4.9877   1.8509   4.7017  715.016  209.368  429.943  187.021 285.0734 280.7349 
1 1 1  -44    6    4 o  292.055  140.868  -4.9553   3.8598 -19.0099   6.5437   2.5435   4.7798  292.187  147.650  473.082  196.346 -180.8944 245.6673 
1 1 1  -44    6    6 o  715.703  185.090   9.6525   4.1789   12.537   6.6494   7.7697   5.3724  772.657  244.934  633.364  220.691 139.2927 329.6931 
1 1 1  -44    6    8 o  317.963  148.383  -2.5491   3.6365   0.2861   6.5543  -3.8100   4.3710  477.799  213.671  333.361  157.769 144.4379 265.6059 
1 1 1  -44    6   10 f  496.813  185.591   4.0150   3.8821   8.9122   6.9253   1.7711   4.6878  667.606  248.180  452.539  191.551 215.0672 313.5044 
1 1 1  -44    6   12 o  473.784  182.740   3.3749   3.8369   13.009   6.8218  -1.0833   4.6406  784.079  248.039  389.888  176.595 394.1910 304.4819 
1 1 1  -44    6   14 o  569.689  205.482   5.9223   4.6911   4.9496   6.0796   7.3536   7.3750  558.782  225.407  628.786  250.093 -70.00433 336.6819 
1 1 1  -44    6   16 o  663.204  211.197   8.6924   4.9395   2.3513   6.4258   17.851   7.7225  507.745  219.748  903.430  259.371 -395.6854 339.9445 
1 1 1  -44    6   18 o  360.712  167.251  -2.2794   4.5047 -10.1086   6.8423   3.7103   5.9847  359.863  176.647  523.870  218.753 -164.0067 281.1714 
1 1 1  -44    6   20 o  474.858  191.298   3.1982   4.3726  -3.4086   5.4202   15.510   7.3993  378.328  178.023  830.032  257.693 -451.7039 313.2053 
1 1 1  -44    6   22 o  629.114  190.074   7.7628   4.0604   11.299   5.0312   1.1564   6.8765  745.378  207.778  487.195  218.296 258.1823 301.3719 
1 1 1  -44    6   24 o  382.953  161.009   1.3039   3.2764  -0.0632   4.5752   2.7431   4.6941  397.587  178.109  463.620  193.678 -66.03284 263.1233 
1 1 1  -44    6   26 o  837.200  144.565   12.725   3.6527   18.785   5.4103   7.6481   4.9516  983.597  182.382  603.913  211.791 379.6837 279.4973 
1 1 1  -44    7    7 o  613.909  188.364   7.0696   3.9667   8.3429   7.1325   6.4993   4.7730  654.667  249.984  591.764  207.913 62.90363 325.1455 
1 1 1  -44    7    9 o  455.385  185.694   2.4477   4.1775   8.3858   7.0414  -0.7775   5.1894  655.792  248.868  417.086  188.026 238.7063 311.9117 
1 1 1  -44    7   11 o  797.002  180.775   11.800   4.4077   7.5748   7.3631   14.160   5.5026  637.511  251.049  854.468  207.690 -216.9571 325.8228 
1 1 1  -44    7   13 o  446.361  192.911   1.1701   4.9382   6.7685   6.7021  -5.4792   7.3041  611.891  239.975  422.522  201.117 189.3690 313.1075 
1 1 1  -44    7   15 o  470.130  184.996   3.1678   3.9954   3.1688   4.7442   3.1653   7.4099  488.184  198.344  545.188  235.964 -57.00357 308.2523 
1 1 1  -44    7   17 o  454.506  183.270   2.6780   4.0174   4.6241   5.1701  -0.2876   6.3822  534.200  210.367  460.097  207.865 74.10266 295.7395 
1 1 1  -44    7   19 o  337.138  156.876  -2.3878   4.0180   2.0105   4.8427 -12.1048   7.1981  458.026  194.327  355.746  175.869 102.2806 262.0936 
1 1 1  -44    7   21 o  629.782  200.199   7.8329   4.4399   7.8376   5.4170   7.8231   7.7499  623.661  221.254  627.512  254.015 -3.850769 336.8636 
1 1 1  -44    7   23 o  432.833  173.280   2.5759   3.5633   1.1702   4.8363   4.2451   5.2700  433.503  189.104  515.573  209.200 -82.07013 282.0017 
1 1 1  -44    7   25 o  594.934  175.578   6.8662   3.4955   0.7682   4.9496   12.934   4.9372  425.036  188.132  801.032  197.977 -375.9952 273.1091 
1 1 1  -44    8   10 o  369.296  160.393   0.2552   3.4475  -3.9928   5.0400   3.9905   4.7261  360.717  170.318  513.413  201.466 -152.6953 263.8120 
1 1 1  -44    8   12 o  455.050  186.074   2.3979   4.2093  -1.7707   5.0887   11.431   7.4910  396.235  181.553  734.388  260.221 -338.1522 317.2957 
1 1 1  -44    8   14 o  399.907  173.022   0.6126   3.9812   2.2989   4.7239  -3.5209   7.3960  466.484  194.533  447.961  209.880 18.52298 286.1691 
1 1 1  -44    8   16 o  328.520  154.285  -3.0627   4.0373  -5.0736   5.3043  -0.2935   6.2246  355.777  169.908  457.153  206.023 -101.3759 267.0475 
1 1 1  -44    8   18 o  416.478  177.166   1.2731   4.0437  -4.7726   4.7692   16.735   7.6270  336.266  160.735  871.429  259.879 -535.1630 305.5699 
1 1 1  -44    8   20 o  584.181  177.341   6.4223   3.5285   7.9461   4.9123   4.7980   5.0716  632.825  211.262  534.247  208.966 98.57843 297.1507 
1 1 1  -44    8   22 o  746.945  160.954   10.281   3.6535   18.360   5.2512   2.7005   5.0863  991.981  175.481  477.056  200.594 514.9247 266.5175 
1 1 1  -43    0    1 o  620.404  269.203   9.7739   5.4052   9.7739   5.4052   9.7739   5.4052  620.404  269.203  620.404  269.203 -0.000000 0.000000 
1 1 1  -43    0    3 o  354.427  220.304   2.1795   4.9192   2.1795   4.9192   2.1795   4.9192  354.427  220.304  354.427  220.304 -0.000000 0.000000 
1 1 1  -43    0    5 o  586.847  258.762   8.6985   4.9912   8.6985   4.9912   8.6985   4.9912  586.847  258.762  586.847  258.762 -0.000000 0.000000 
1 1 1  -43    0    7 o  265.744  180.788  -1.8556   4.5879  -1.8556   4.5879  -1.8556   4.5879  265.744  180.788  265.744  180.788 -0.000000 0.000000 
1 1 1  -43    0    9 o  294.447  199.169  -1.6258   5.4072  -1.6258   5.4072  -1.6258   5.4072  294.447  199.169  294.447  199.169 -0.000000 0.000000 
1 1 1  -43    0   11 o  441.262  243.663   5.0663   4.9076   5.0663   4.9076   5.0663   4.9076  441.262  243.663  441.262  243.663 -0.000000 0.000000 
1 1 1  -43    0   13 o  567.126  260.602   8.2673   5.0694   8.2673   5.0694   8.2673   5.0694  567.126  260.602  567.126  260.602 -0.000000 0.000000 
1 1 1  -43    0   15 o  349.868  219.623   1.8502   5.0136   1.8502   5.0136   1.8502   5.0136  349.868  219.623  349.868  219.623 -0.000000 0.000000 
1 1 1  -43    0   17 o  1361.11  154.711   31.589   6.3738   31.589   6.3738   31.589   6.3738  1361.11  154.711  1361.11  154.711 -0.000000 0.000000 
1 1 1  -43    0   19 o  504.928  247.622   6.6593   4.6503   6.6593   4.6503   6.6593   4.6503  504.928  247.622  504.928  247.622 -0.000000 0.000000 
1 1 1  -43    0   21 o  708.963  270.984   11.871   5.6742   11.871   5.6742   11.871   5.6742  708.963  270.984  708.963  270.984 -0.000000 0.000000 
1 1 1  -43    0   23 o  484.549  245.218   6.1868   4.6280   6.1868   4.6280   6.1868   4.6280  484.549  245.218  484.549  245.218 -0.000000 0.000000 
1 1 1  -43    0   25 o  589.669  306.322   9.9473   7.3392   9.9473   7.3392   9.9473   7.3392  589.669  306.322  589.669  306.322 -0.000000 0.000000 
1 1 1  -43    0   27 o  614.126  294.724   10.311   6.5388   10.311   6.5388   10.311   6.5388  614.126  294.724  614.126  294.724 -0.000000 0.000000 
1 1 1  -43    0   29 f  768.020  305.765   14.739   7.1082   14.739   7.1082   14.739   7.1082  768.020  305.765  768.020  305.765 -0.000000 0.000000 
1 1 1  -43    0   31 o  528.758  282.001   7.8826   6.3482   7.8826   6.3482   7.8826   6.3482  528.758  282.001  528.758  282.001 -0.000000 0.000000 
1 1 1  -43    0   33 o  323.580  214.904  -0.2957   5.7965  -0.2957   5.7965  -0.2957   5.7965  323.580  214.904  323.580  214.904 -0.000000 0.000000 
1 1 1  -43    0   35 o  564.349  256.128   8.2605   4.8904   8.2605   4.8904   8.2605   4.8904  564.349  256.128  564.349  256.128 -0.000000 0.000000 
1 1 1  -43    1    2 o  424.067  176.483   1.7066   3.8767   0.0993   4.7462   4.9281   6.7194  416.818  184.374  569.041  234.167 -152.2229 298.0402 
1 1 1  -43    1    4 o  369.447  160.225   0.3068   3.4303   0.8053   5.0209  -0.1296   4.6977  441.811  192.705  411.243  182.592 30.56796 265.4716 
1 1 1  -43    1    6 o  373.158  158.746   0.7324   3.2469  -2.8738   4.6087   4.2863   4.5751  358.860  167.326  519.166  199.740 -160.3069 260.5652 
1 1 1  -43    1    8 o  375.971  166.551  -0.2834   3.8870   7.3340   6.3568  -4.8323   4.9123  626.701  236.789  344.088  164.100 282.6129 288.0935 
1 1 1  -43    1   10 o  367.289  162.869  -0.3480   3.7261  -0.1090   4.5997  -0.8042   6.3549  408.601  181.084  455.677  206.501 -47.07611 274.6530 
1 1 1  -43    1   12 o  430.444  169.205   2.4564   3.3392   3.0737   4.6253   1.7844   4.8259  484.862  196.249  457.676  194.073 27.18674 276.0036 
1 1 1  -43    1   14 o  424.125  168.314   2.2927   3.3335  -2.3394   4.5497   7.6613   4.8980  364.190  168.589  630.674  210.954 -266.4839 270.0442 
1 1 1  -43    1   16 o  458.313  170.818   3.3140   3.2850   8.8859   4.4720  -3.2156   4.8411  677.912  198.177  361.878  169.629 316.0333 260.8605 
1 1 1  -43    1   18 o  391.937  167.110   0.9524   3.6127   5.5619   5.0474  -3.8896   5.1732  558.733  211.024  364.631  172.284 194.1017 272.4204 
1 1 1  -43    1   20 o  439.036  167.088   2.9408   3.1798   0.8555   4.5129   4.9968   4.4811  420.679  183.111  532.354  199.292 -111.6745 270.6418 
1 1 1  -43    1   22 f  382.160  159.176   1.3379   3.1574   0.1024   4.4325   2.6106   4.4987  399.436  177.356  460.202  190.700 -60.76529 260.4260 
1 1 1  -43    1   24 o  486.655  196.034   3.6485   4.5914   0.0000   6.1562   8.2216   6.8923  448.023  203.121  624.336  243.770 -176.3135 317.3038 
1 1 1  -43    1   26 o  588.733  204.865   7.0719   4.6288   10.288   7.0001   4.5731   6.1703  666.061  249.138  528.346  221.486 137.7152 333.3548 
1 1 1  -43    1   28 o  345.018  158.752  -1.2926   3.9471  -4.9143   5.5913   2.3053   5.5729  355.554  171.018  464.515  202.803 -108.9608 265.2858 
1 1 1  -43    1   30 o  415.326  178.572   1.8097   4.1879   5.8433   5.8864  -2.3247   5.9595  537.233  219.902  393.880  185.741 143.3534 287.8488 
1 1 1  -43    1   32 o  368.068  166.375   0.0330   4.0950   9.4521   5.7060  -9.9702   5.8803  621.537  226.246  310.901  154.600 310.6366 274.0230 
1 1 1  -43    1   34 o  382.502  166.139   1.4908   3.6995   8.6631   6.9140  -1.3863   4.3790  569.369  236.215  346.736  162.148 222.6331 286.5125 
1 1 1  -43    1   36 o  385.822  159.033   2.3688   3.1055   4.2344   4.3984   0.5142   4.3855  455.508  188.643  372.498  169.864 83.00980 253.8500 
1 1 1  -43    2    1 o  368.149  166.252  -0.9714   4.0776  -1.9528   4.8589   1.3658   7.4981  382.739  176.118  516.889  230.033 -134.1506 289.7110 
1 1 1  -43    2    3 f  484.667  187.548   3.5457   4.0517  -5.7692   6.8633   8.5286   5.0198  405.582  193.577  660.940  213.164 -255.3571 287.9426 
1 1 1  -43    2    5 o  305.796  140.369  -1.6000   3.0609  -3.6870   4.2186   0.7201   4.4479  328.521  155.331  420.729  182.457 -92.20786 239.6210 
1 1 1  -43    2    7 o  521.960  186.627   4.6912   3.8613   9.7769   6.6979   2.1597   4.7256  694.440  246.062  464.492  194.209 229.9478 313.4699 
1 1 1  -43    2    9 o  485.219  181.696   3.7318   3.7252   4.6690   6.9654   3.3563   4.4087  571.184  237.040  488.405  193.646 82.77942 306.0829 
1 1 1  -43    2   11 o  352.539  158.723  -0.9247   3.6841   5.9251   4.8751 -10.0455   5.6255  574.498  209.124  318.736  157.183 255.7627 261.6092 
1 1 1  -43    2   13 o  749.380  162.883   10.168   3.7129   6.0821   5.2603   14.225   5.2415  581.714  216.288  864.335  197.929 -282.6208 293.1831 
1 1 1  -43    2   15 o  329.111  149.603  -1.2495   3.3676   5.4639   4.8449  -7.5246   4.6841  557.216  207.495  301.685  147.689 255.5313 254.6881 
1 1 1  -43    2   17 o  1143.71  116.815   22.049   4.1247   22.120   5.6760   21.969   6.0043  1104.78  169.489  1089.71  182.415 15.06995 249.0018 
1 1 1  -43    2   19 o  291.039  136.029  -2.2824   3.0750  -1.2198   4.3419  -3.3516   4.3555  372.687  169.589  337.325  158.986 35.36163 232.4588 
1 1 1  -43    2   21 o  995.732  137.886   17.357   4.1837   14.311   5.8689   20.505   5.9657  834.343  221.094  1037.19  190.719 -202.8417 291.9871 
1 1 1  -43    2   23 o  267.275  128.781  -4.0374   3.2050   4.8245   5.4975  -8.6000   3.9447  534.612  214.805  253.600  126.190 281.0119 249.1292 
1 1 1  -43    2   25 o  545.829  202.739   5.6889   4.6196   6.5894   6.1770   4.5461   6.9588  579.101  229.338  541.950  231.520 37.15063 325.8799 
1 1 1  -43    2   27 o  485.716  193.766   3.9507   4.4392  -2.0252   6.9611   8.0468   5.7632  433.375  203.227  609.719  226.452 -176.3434 304.2723 
1 1 1  -43    2   29 o  637.941  210.111   8.8934   4.8647   8.7687   7.3527   8.9906   6.4876  610.225  247.279  619.995  238.016 -9.769409 343.2181 
1 1 1  -43    2   31 o  361.477  168.922  -1.7465   4.7386  -5.0241   6.7362   1.4641   6.6671  382.237  184.794  459.775  209.577 -77.53802 279.4123 
1 1 1  -43    2   33 o  393.706  178.737   0.4490   4.7874   0.2992   6.8587   0.5914   6.6854  437.067  203.904  437.732  203.241 -0.6646729 287.8948 
1 1 1  -43    2   35 o  514.509  185.994   5.8850   3.8466   15.467   6.3002   0.1904   4.8570  756.691  238.257  383.252  176.254 373.4396 296.3644 
1 1 1  -43    3    2 o  445.102  173.125   2.7951   3.4662  -2.0140   5.0219   7.1709   4.7903  388.829  178.967  613.801  208.604 -224.9713 274.8546 
1 1 1  -43    3    4 o  361.925  161.684  -0.6108   3.7424  -2.4970   6.6564   0.2610   4.5254  439.701  203.675  413.286  181.533 26.41464 272.8326 
1 1 1  -43    3    6 o  362.519  157.865   0.1481   3.3574   1.7540   4.5383  -1.7935   4.9900  448.823  189.141  392.543  179.833 56.27963 260.9868 
1 1 1  -43    3    8 o  569.689  179.727   5.9305   3.5835   7.5967   4.9121   4.0349   5.2395  631.326  211.256  525.516  210.214 105.8096 298.0251 
1 1 1  -43    3   10 o  490.576  176.848   4.0020   3.4741   6.2248   4.9148   1.7825   4.9114  585.046  210.407  461.112  195.672 123.9342 287.3301 
1 1 1  -43    3   12 o  716.312  162.316   9.2880   3.5564   10.423   4.9355   8.0618   5.1292  732.750  206.338  645.749  215.875 87.00134 298.6260 
1 1 1  -43    3   14 o  250.595  121.675  -4.5444   2.9999  -3.5916   4.2656  -5.4769   4.2198  331.812  156.676  303.662  146.670 28.15070 214.6142 
1 1 1  -43    3   16 o  800.583  157.145   11.507   3.7987   11.112   5.2039   11.957   5.5580  749.189  212.191  772.001  219.515 -22.81232 305.3061 
1 1 1  -43    3   18 o  586.803  175.992   6.4202   3.4905   7.0488   5.3120   5.9425   4.6305  606.372  218.665  567.924  204.233 38.44843 299.2080 
1 1 1  -43    3   20 o  374.185  159.882   0.7766   3.3198   8.1285   4.5948  -7.2528   4.8018  642.372  203.604  307.845  150.456 334.5262 253.1629 
1 1 1  -43    3   22 o  326.727  149.269  -1.3045   3.4065 -11.9472   6.5024   2.7212   3.9992  331.535  164.473  450.892  182.489 -119.3566 245.6698 
1 1 1  -43    3   24 o  790.065  202.789   12.593   5.0421   9.1861   6.8087   16.730   7.5030  649.578  245.150  849.184  258.784 -199.6062 356.4655 
1 1 1  -43    3   26 o  304.352  145.722  -3.9958   3.9554   5.7998   5.5238 -14.3039   5.6665  551.935  217.414  281.976  141.854 269.9597 259.5988 
1 1 1  -43    3   28 o  1054.82  170.348   21.216   5.4347   18.483   7.6838   23.951   7.6879  865.333  261.478  1028.92  242.577 -163.5828 356.6705 
1 1 1  -43    3   30 o  1113.47  172.236   24.089   5.8113   23.783   7.7978   24.471   8.7151  997.335  250.139  966.550  274.896 30.78577 371.6689 
1 1 1  -43    3   32 o  688.364  211.186   10.865   4.9863   11.762   6.6516   9.7149   7.5339  668.705  244.144  606.433  248.567 62.27155 348.4135 
1 1 1  -43    3   34 o  1088.30  151.198   22.829   5.0132   26.058   8.7732   21.263   6.1088  940.409  278.332  974.289  206.647 -33.87964 346.6574 
1 1 1  -43    4    1 o  780.407  139.371   10.651   3.2808   14.636   5.1794   7.9812   4.2398  879.068  193.417  646.663  193.969 232.4052 273.9232 
1 1 1  -43    4    3 o  486.654  176.525   3.9209   3.4692   9.0374   4.7815  -1.7666   5.0412  682.651  206.264  394.383  180.704 288.2679 274.2240 
1 1 1  -43    4    5 o  603.722  193.160   6.8035   4.1281   5.3242   7.3055   7.4974   5.0034  590.071  243.643  627.515  213.196 -37.44366 323.7501 
1 1 1  -43    4    7 o  510.985  176.135   4.5296   3.4176   9.2965   4.7386  -0.6383   4.9338  694.937  204.239  411.375  184.575 283.5613 275.2839 
1 1 1  -43    4    9 o  591.245  168.624   6.3740   3.2746   11.602   4.6592   1.2711   4.6032  785.120  191.280  439.820  188.106 345.3004 268.2762 
1 1 1  -43    4   11 o  566.111  184.086   5.8443   3.7387   1.3980   5.3103   10.214   5.2646  464.731  200.449  720.861  216.124 -256.1296 294.7706 
1 1 1  -43    4   13 o  244.063  119.728  -5.6241   3.1275  -3.8132   4.4989  -7.3176   4.3506  339.684  160.548  289.038  141.674 50.64603 214.1199 
1 1 1  -43    4   15 o  597.182  168.811   6.5494   3.2969   8.3912   4.6728   4.7236   4.6524  658.700  204.831  532.575  202.247 126.1255 287.8532 
1 1 1  -43    4   17 f  527.449  174.972   5.0088   3.3714   7.7059   4.9243   2.6291   4.6255  630.144  211.515  470.672  194.057 159.4720 287.0483 
1 1 1  -43    4   19 o  586.117  177.012   6.4256   3.5221  -1.1942   5.4193   11.998   4.6343  414.323  188.894  792.692  189.312 -378.3693 267.4322 
1 1 1  -43    4   21 o  298.052  140.302  -2.7619   3.3725  -2.2840   5.5205  -3.0464   4.2598  398.541  184.918  336.762  158.259 61.77835 243.3943 
1 1 1  -43    4   23 o  669.122  215.187   9.2212   5.1182   12.698   7.3005   5.8602   7.1776  744.267  257.379  578.808  240.448 165.4590 352.2209 
1 1 1  -43    4   25 o  304.461  148.242  -6.1859   4.5375  -6.1376   6.2837  -6.2385   6.5592  371.573  179.349  379.522  183.198 -7.948608 256.3738 
1 1 1  -43    4   27 o  414.839  181.528   1.0695   4.4876   7.4083   6.8328  -3.7389   5.9511  593.747  239.154  384.080  182.445 209.6678 300.8009 
1 1 1  -43    4   29 o  661.386  218.641   9.7670   5.2659   12.043   7.5107   7.5668   7.3851  686.627  257.822  586.906  243.863 99.72180 354.8822 
1 1 1  -43    4   31 f  609.709  217.293   8.5217   5.2305   16.491   7.3388   0.2941   7.4567  792.369  257.927  459.125  213.662 333.2447 334.9295 
1 1 1  -43    4   33 o  434.623  177.506   3.1506   3.8248  -3.4056   6.4323   6.7367   4.7572  384.756  184.643  547.004  205.229 -162.2478 276.0652 
1 1 1  -43    5    2 o  358.486  151.514   0.7398   2.9259  -4.6608   4.5429   4.5683   3.8250  329.540  157.340  516.053  185.615 -186.5132 243.3291 
1 1 1  -43    5    4 o  254.741  124.608  -5.6407   3.3147  -6.6382   4.8587  -4.7720   4.5337  320.017  155.259  328.155  156.818 -8.137238 220.6748 
1 1 1  -43    5    6 o  652.922  201.642   8.1194   4.5373   11.664   8.5898   6.7478   5.3435  739.261  276.087  605.252  219.152 134.0090 352.4933 
1 1 1  -43    5    8 o  612.605  170.587   6.8633   3.3931   5.1210   4.9856   8.3668   4.6313  552.673  209.487  661.834  203.608 -109.1608 292.1323 
1 1 1  -43    5   10 o  506.648  176.081   4.4135   3.4189  -0.8956   5.2435   8.3399   4.5092  418.428  188.783  661.797  200.383 -243.3693 275.3036 
1 1 1  -43    5   12 o  556.409  186.838   5.5897   3.8423   3.5251   5.0034   8.5572   5.9986  507.292  204.538  661.299  233.019 -154.0065 310.0544 
1 1 1  -43    5   14 o  416.575  164.048   2.2298   3.1441  -1.2896   4.8337   4.8109   4.1394  394.814  179.378  529.378  192.701 -134.5633 263.2685 
1 1 1  -43    5   16 o  336.667  150.662  -0.6858   3.2647  -0.7549   5.2022  -0.6409   4.1932  417.142  188.135  380.375  170.447 36.76752 253.8640 
1 1 1  -43    5   18 o  427.714  174.243   2.1015   3.6738   1.4236   5.7714   2.5633   4.7635  474.208  206.727  472.230  196.003 1.977478 284.8739 
1 1 1  -43    5   20 o  841.119  168.463   13.001   4.2822   18.148   7.7184   10.712   5.1470  907.191  258.937  730.358  212.349 176.8326 334.8737 
1 1 1  -43    5   22 o  693.923  244.214   10.405   6.5869   0.0000   0.0000   10.405   6.5869  ?   ?   693.923  244.214 0.000000 244.2142 
1 1 1  -43    5   24 o  726.887  207.905   10.797   4.9705   9.4837   6.6484   12.461   7.4845  660.288  243.620  731.669  260.018 -71.38104 356.3141 
1 1 1  -43    5   26 o  378.886  169.353  -0.1092   4.1119   7.8109   5.7927  -8.1530   5.8377  609.534  226.902  335.361  164.324 274.1727 280.1553 
1 1 1  -43    5   28 f  575.389  210.054   6.8568   4.9236   12.171   6.5021  -0.2868   7.5383  718.026  243.040  467.034  216.482 250.9915 325.4737 
1 1 1  -43    5   30 o  315.401  148.669  -2.5376   3.8104  -8.0073   6.1249   0.9159   4.8668  339.911  166.910  415.667  185.130 -75.75601 249.2630 
1 1 1  -43    5   32 o  427.551  178.619   2.6459   3.9929   14.959   7.2750  -2.6620   4.7766  742.000  256.911  347.927  164.739 394.0721 305.1924 
1 1 1  -43    6    1 o  568.737  182.568   5.9447   3.6855   2.0436   5.3226   9.5378   5.1081  477.474  203.190  696.216  213.775 -218.7419 294.9337 
1 1 1  -43    6    3 o  588.665  179.246   6.3815   3.6007   10.011   5.0378   2.5911   5.1484  716.518  210.590  486.912  203.071 229.6060 292.5511 
1 1 1  -43    6    5 o  287.561  138.262  -4.5574   3.6458  -1.1006   6.1591  -6.4219   4.5234  446.237  202.643  307.640  149.381 138.5968 251.7512 
1 1 1  -43    6    7 o  678.541  197.186   8.7321   4.4391   24.305   8.7417   3.3210   5.1530  1077.74  261.663  506.617  206.372 571.1241 333.2519 
1 1 1  -43    6    9 o  539.650  174.910   5.2031   3.3766   5.1882   4.6013   5.2204   4.9705  550.176  202.726  556.057  209.553 -5.881287 291.5654 
1 1 1  -43    6   11 o  839.070  162.667   12.604   4.1195   11.460   6.5916   13.338   5.2770  747.600  244.498  835.350  203.601 -87.75006 318.1704 
1 1 1  -43    6   13 o  718.781  204.156   9.9543   4.8102   6.7613   6.4139   14.059   7.2717  613.476  236.366  814.639  255.882 -201.1630 348.3451 
1 1 1  -43    6   15 o  432.947  179.683   1.8296   4.0027  -4.5543   6.8003   5.2139   4.9514  418.185  197.570  552.943  208.965 -134.7582 287.5768 
1 1 1  -43    6   17 o  354.347  166.661  -3.4774   4.7407   0.0000   0.0000  -3.4774   4.7407  ?   ?   354.347  166.661 0.000000 166.6611 
1 1 1  -43    6   19 f  657.593  190.166   8.2777   4.1378   12.573   7.4950   6.3948   4.9626  756.309  260.828  585.059  211.294 171.2503 335.6734 
1 1 1  -43    6   21 o  680.307  202.994   9.1502   4.6525   2.6659   6.6198   15.480   6.5403  514.507  222.857  857.453  236.104 -342.9465 324.6699 
1 1 1  -43    6   23 o  323.114  155.368  -5.0523   4.6061  -2.6983   6.6385  -7.2376   6.3962  427.080  199.697  367.946  178.426 59.13437 267.7960 
1 1 1  -43    6   25 o  380.028  172.433  -0.7871   4.4479   9.0959   6.9708  -7.5741   5.7766  646.013  247.026  340.262  166.022 305.7505 297.6322 
1 1 1  -43    6   27 o  699.496  219.761   10.583   5.3633   19.621   7.6782   1.9718   7.4949  913.702  257.385  502.407  226.276 411.2953 342.7066 
1 1 1  -43    6   29 o  1171.03  131.447   24.332   4.7366   22.822   7.9783   25.153   5.8862  976.594  257.303  1150.14  168.436 -173.5458 307.5316 
1 1 1  -43    6   31 o  517.985  189.673   5.4058   4.0189   6.8711   6.5339   4.5141   5.0971  560.863  230.870  497.682  204.277 63.18088 308.2696 
1 1 1  -43    7    2 o  397.330  170.283   0.7766   3.7862  -7.7250   5.8998   6.7295   4.9368  351.491  170.657  601.573  211.446 -250.0826 271.7228 
1 1 1  -43    7    4 o  444.702  179.925   2.3256   3.8862   2.4922   6.3948   2.2280   4.8936  517.225  221.473  472.243  197.555 44.98215 296.7799 
1 1 1  -43    7    6 o  373.249  163.578  -0.0108   3.6563   6.6742   5.5792  -5.0432   4.8407  606.298  223.257  339.284  162.110 267.0139 275.9044 
1 1 1  -43    7    8 o  298.913  144.846  -5.8733   4.1962   0.0000   0.0000  -5.8733   4.1962  ?   ?   298.913  144.846 0.000000 144.8463 
1 1 1  -43    7   10 o  330.625  151.556  -1.7214   3.5514  -1.1281   6.1396  -2.0198   4.3537  446.265  202.526  363.352  167.017 82.91254 262.5101 
1 1 1  -43    7   12 o  318.204  146.478  -1.8450   3.3654  -7.6990   5.5858   1.4909   4.2167  340.201  165.378  432.849  182.358 -92.64719 246.1791 
1 1 1  -43    7   14 o  485.455  193.742   3.2066   4.4398   4.3361   5.8325   1.6505   6.8461  545.081  220.463  511.648  224.043 33.43356 314.3229 
1 1 1  -43    7   16 o  626.026  190.367   7.3752   4.0634   9.6594   7.3424   6.3667   4.8785  688.997  255.660  588.490  209.842 100.5065 330.7502 
1 1 1  -43    7   18 o  268.818  129.593  -4.3007   3.2563  -8.5871   5.7441  -2.2710   3.9528  335.632  164.146  338.111  156.736 -2.479431 226.9584 
1 1 1  -43    7   20 o  669.580  216.828   8.9621   5.1898   18.254   7.2452  -0.8299   7.4375  929.177  245.382  480.230  219.837 448.9472 329.4551 
1 1 1  -43    7   22 o  513.163  206.482   4.0295   5.0877   7.2568   7.0671   0.5574   7.3302  615.145  244.770  493.798  222.959 121.3469 331.0933 
1 1 1  -43    7   24 o  437.265  183.631   2.0062   4.2537   4.8646   6.0189  -0.8461   6.0125  543.772  222.447  433.647  198.192 110.1253 297.9306 
1 1 1  -43    7   26 o  525.718  205.464   4.9260   4.9000   2.1543   6.6330   8.2559   7.2702  493.726  218.198  622.703  248.109 -128.9772 330.4066 
1 1 1  -43    7   28 o  815.441  177.285   12.918   4.3976   14.963   8.1274   12.072   5.2292  762.559  270.960  752.799  212.530 9.760010 344.3665 
1 1 1  -43    7   30 o  533.613  175.993   5.6326   3.4127   4.0880   5.6897   6.5005   4.2651  500.247  211.348  560.703  196.566 -60.45636 288.6274 
1 1 1  -43    8    3 o  386.074  171.263  -0.3256   4.1238  -8.6424   6.6133   4.9656   5.2749  369.926  179.855  552.818  213.973 -182.8919 279.5215 
1 1 1  -43    8    5 o  307.167  143.150  -2.4334   3.3663  -3.0842   5.3337  -2.0026   4.3399  387.309  180.396  363.131  166.855 24.17789 245.7299 
1 1 1  -43    8    7 o  652.362  186.868   7.9142   4.0126   5.0916   7.0030   9.2938   4.8960  585.607  239.796  696.116  208.358 -110.5086 317.6714 
1 1 1  -43    8    9 o  698.247  190.253   9.1231   4.2729   4.0101   7.3287   11.756   5.2593  569.266  240.151  780.964  210.360 -211.6976 319.2549 
1 1 1  -43    8   11 o  369.270  164.634  -0.5989   3.8594  -2.8986   6.4859   0.6618   4.8022  431.927  200.419  434.524  189.012 -2.596832 275.4870 
1 1 1  -43    8   13 o  671.338  178.967   8.3266   3.8307   6.7420   6.2017   9.3041   4.8710  613.454  233.375  695.520  207.743 -82.06647 312.4441 
1 1 1  -43    8   15 o  523.309  201.919   4.3112   4.6860   13.915   5.9623 -11.2061   7.5787  837.643  223.266  380.374  186.553 457.2686 290.9464 
1 1 1  -43    8   17 o  283.066  134.709  -3.4655   3.2732   0.2989   5.5131  -5.5148   4.0678  448.050  198.424  295.992  143.225 152.0583 244.7149 
1 1 1  -43    8   19 o  318.473  154.284  -6.2532   4.7534  -9.6107   6.6793  -2.8078   6.7662  360.784  176.565  436.869  203.380 -76.08566 269.3298 
1 1 1  -43    8   21 o  586.415  209.404   6.4932   4.8599   6.0770   6.4562   7.0375   7.3823  586.775  233.803  617.065  248.572 -30.29053 341.2503 
1 1 1  -43    8   23 o  454.032  188.628   2.3857   4.4177   4.6145   6.3405   0.2829   6.1587  546.663  226.452  458.876  206.029 87.78638 306.1508 
1 1 1  -43    8   25 o  492.405  198.225   3.7213   4.6914   4.9900   6.1801   1.9960   7.2067  547.001  224.775  506.813  225.536 40.18781 318.4184 
1 1 1  -43    8   27 o  255.008  124.325  -4.8962   3.2212 -10.6716   4.8069  -0.1885   4.3398  273.708  136.689  385.652  173.065 -111.9448 220.5341 
1 1 1  -43    8   29 o  845.791  150.800   13.200   3.8473   16.050   6.1173   11.335   4.9485  854.739  225.357  731.344  206.843 123.3945 305.8914 
1 1 1  -43    9    4 o  508.627  176.498   4.4262   3.4345   4.8300   5.8282   4.2114   4.2511  559.898  222.441  513.945  193.770 45.95276 295.0034 
1 1 1  -43    9    6 o  284.327  137.193  -4.9347   3.6697  -2.8763   6.2544  -6.0154   4.5318  425.048  197.079  313.732  151.649 111.3157 248.6717 
1 1 1  -43    9    8 o  454.605  181.952   2.5512   3.9278   18.903   6.8951  -5.3038   4.7791  982.282  228.486  334.039  159.999 648.2427 278.9366 
1 1 1  -43    9   10 o  442.911  178.876   2.2631   3.8336   1.1746   6.7619   2.7787   4.6537  504.943  221.844  481.881  196.188 23.06146 296.1491 
1 1 1  -43    9   12 o  497.613  186.121   3.9075   3.9066   4.7397   6.2234   3.3662   5.0186  565.210  228.036  506.359  204.607 58.85117 306.3733 
1 1 1  -43    9   14 o  539.196  188.048   5.0856   3.9011   3.2885   6.1548   6.2924   5.0436  529.570  221.547  590.903  213.072 -61.33307 307.3804 
1 1 1  -43    9   16 o  312.934  149.254  -4.2877   4.0655   0.6011   5.4843 -10.2515   6.0573  454.485  199.730  334.564  164.621 119.9218 258.8285 
1 1 1  -43    9   18 o  810.743  203.642   12.679   5.1628   11.252   6.8268   14.586   7.8910  734.283  249.032  815.679  267.549 -81.39630 365.5124 
1 1 1  -43    9   20 o  229.917  115.500 -10.0795   3.6834  -7.8581   4.3735 -15.5003   6.8319  283.703  139.651  322.286  161.246 -38.58282 213.3136 
1 1 1  -43    9   22 o  984.108  151.375   17.210   4.5151   21.124   5.6203   10.085   7.5822  1073.50  173.088  686.786  258.818 386.7116 311.3624 
1 1 1  -43    9   24 o  289.805  135.099  -2.0808   3.0018  -4.1331   4.6797  -0.6460   3.9128  338.597  161.117  364.046  163.770 -25.44907 229.7379 
1 1 1  -43    9   26 o  396.749  162.037   1.8214   3.1872   2.1985   4.8373   1.5322   4.2369  455.769  193.824  422.902  180.658 32.86710 264.9620 
1 1 1  -43   10    7 o  286.296  135.837  -3.3837   3.2802  -4.5843   4.8797  -2.3940   4.4306  348.305  165.380  361.489  166.996 -13.18405 235.0283 
1 1 1  -43   10    9 o  365.267  166.003  -1.4719   4.1436  -5.5736   8.7875  -0.2992   4.6988  471.815  223.412  411.970  182.779 59.84531 288.6538 
1 1 1  -43   10   11 o  292.516  137.248  -2.7011   3.1823   1.0054   4.5401  -6.2808   4.4618  434.273  186.301  307.582  149.124 126.6912 238.6341 
1 1 1  -43   10   13 o  521.510  173.517   4.7512   3.3147   4.2308   5.1379   5.1222   4.3382  532.700  209.732  546.760  197.541 -14.05908 288.1142 
1 1 1  -43   10   15 o  782.227  183.799   11.318   4.4256   11.821   5.5840   10.469   7.2571  776.223  219.790  717.473  255.924 58.74969 337.3497 
1 1 1  -43   10   17 f  464.116  186.039   2.7608   4.1130   3.0365   4.8322   2.0359   7.8360  490.840  199.883  540.996  238.222 -50.15668 310.9713 
1 1 1  -43   10   19 o  816.450  187.281   12.498   4.6860   12.341   5.6991   12.826   8.2335  785.689  221.895  764.261  272.598 21.42804 351.4928 
1 1 1  -43   10   21 o  430.263  178.651   1.8628   3.9595   4.8035   4.9747  -3.2204   6.5405  537.561  207.870  423.579  198.109 113.9824 287.1541 
1 1 1  -43   10   23 o  846.033  141.790   12.618   3.6233   14.711   5.5867   11.098   4.7602  861.342  209.217  752.808  198.942 108.5339 288.7032 
1 1 1  -43   11   14 o  515.018  196.873   4.0965   4.4268   4.3222   5.2932   3.5712   8.0745  538.698  212.628  576.770  247.969 -38.07159 326.6482 
1 1 1  -43   11   16 o  457.108  186.454   2.3675   4.2134  -0.0015   5.2729   6.5518   7.0078  437.447  193.875  618.160  244.443 -180.7125 311.9936 
1 1 1  -42    0    2 o  486.473  279.571   6.3269   6.8006   6.3269   6.8006   6.3269   6.8006  486.473  279.571  486.473  279.571 -0.000000 0.000000 
1 1 1  -42    0    4 o  983.836  191.349   17.754   5.2549   17.754   5.2549   17.754   5.2549  983.836  191.349  983.836  191.349 -0.000000 0.000000 
1 1 1  -42    0    6 o  355.579  219.734   2.2241   4.8218   2.2241   4.8218   2.2241   4.8218  355.579  219.734  355.579  219.734 -0.000000 0.000000 
1 1 1  -42    0    8 o  444.169  256.959   4.9410   5.8047   4.9410   5.8047   4.9410   5.8047  444.169  256.959  444.169  256.959 -0.000000 0.000000 
1 1 1  -42    0   10 o  171.000  125.255 -10.5223   4.2933 -10.5223   4.2933 -10.5223   4.2933  171.000  125.255  171.000  125.255 -0.000000 0.000000 
1 1 1  -42    0   12 o  313.038  202.033   0.6096   4.6082   0.6096   4.6082   0.6096   4.6082  313.038  202.033  313.038  202.033 -0.000000 0.000000 
1 1 1  -42    0   14 o  1085.06  184.698   21.070   5.7293   21.070   5.7293   21.070   5.7293  1085.06  184.698  1085.06  184.698 -0.000000 0.000000 
1 1 1  -42    0   16 o  212.006  149.554  -4.2297   3.9638  -4.2297   3.9638  -4.2297   3.9638  212.006  149.554  212.006  149.554 -0.000000 0.000000 
1 1 1  -42    0   18 o  280.800  191.861  -2.4140   5.2884  -2.4140   5.2884  -2.4140   5.2884  280.800  191.861  280.800  191.861 -0.000000 0.000000 
1 1 1  -42    0   20 o  440.211  246.973   4.9493   5.1356   4.9493   5.1356   4.9493   5.1356  440.211  246.973  440.211  246.973 -0.000000 0.000000 
1 1 1  -42    0   22 o  777.197  246.404   12.882   5.2759   12.882   5.2759   12.882   5.2759  777.197  246.404  777.197  246.404 -0.000000 0.000000 
1 1 1  -42    0   24 o  359.904  216.353   2.6795   4.4025   2.6795   4.4025   2.6795   4.4025  359.904  216.353  359.904  216.353 -0.000000 0.000000 
1 1 1  -42    0   26 o  218.654  153.879  -4.1311   4.1201  -4.1311   4.1201  -4.1311   4.1201  218.654  153.879  218.654  153.879 -0.000000 0.000000 
1 1 1  -42    0   28 o  313.097  203.028   0.5102   4.7287   0.5102   4.7287   0.5102   4.7287  313.097  203.028  313.097  203.028 -0.000000 0.000000 
1 1 1  -42    0   30 o  648.833  261.041   10.142   5.1649   10.142   5.1649   10.142   5.1649  648.833  261.041  648.833  261.041 -0.000000 0.000000 
1 1 1  -42    0   32 o  462.828  276.053   5.4211   7.0544   5.4211   7.0544   5.4211   7.0544  462.828  276.053  462.828  276.053 -0.000000 0.000000 
1 1 1  -42    0   34 o  381.427  245.868   1.7326   6.7961   1.7326   6.7961   1.7326   6.7961  381.427  245.868  381.427  245.868 -0.000000 0.000000 
1 1 1  -42    0   36 o  474.321  269.511   6.1391   6.2203   6.1391   6.2203   6.1391   6.2203  474.321  269.511  474.321  269.511 -0.000000 0.000000 
1 1 1  -42    0   38 o  297.809  202.269  -1.7762   5.6950  -1.7762   5.6950  -1.7762   5.6950  297.809  202.269  297.809  202.269 -0.000000 0.000000 
1 1 1  -42    1    1 o  465.817  186.866   2.8052   4.1532   1.9315   4.9004   5.0332   7.8252  464.291  196.148  591.995  248.861 -127.7038 316.8683 
1 1 1  -42    1    3 o  717.816  167.318   9.3591   3.6913   0.7378   5.2471   17.806   5.1939  449.997  196.616  993.145  173.322 -543.1481 262.1039 
1 1 1  -42    1    5 o  349.611  151.487   0.1610   3.0609   1.5141   4.1662  -1.4261   4.5120  432.068  181.605  380.979  173.175 51.08868 250.9382 
1 1 1  -42    1    7 o  511.319  180.482   4.4387   3.6001   5.4858   6.5239   3.9802   4.3170  586.844  234.632  507.869  194.350 78.97418 304.6703 
1 1 1  -42    1    9 o  370.061  161.580   0.0611   3.5383   3.6718   4.2829  -7.7003   6.2793  497.597  192.749  367.827  177.975 129.7702 262.3497 
1 1 1  -42    1   11 o  694.194  160.656   8.6577   3.4230   7.2232   4.9948   9.9282   4.7004  621.528  213.001  722.267  200.652 -100.7398 292.6273 
1 1 1  -42    1   13 o  1058.30  120.374   18.839   3.9180   16.808   5.6543   20.714   5.4340  946.950  197.104  1078.65  166.226 -131.6996 257.8392 
1 1 1  -42    1   15 o  361.723  155.232   0.4596   3.1541   4.1585   4.7666  -2.4215   4.2068  520.091  202.818  348.861  161.710 171.2307 259.3943 
1 1 1  -42    1   17 o  481.780  179.866   3.7025   3.6452   6.1583   6.3729   2.5084   4.4439  595.148  233.816  464.602  190.723 130.5463 301.7375 
1 1 1  -42    1   19 o  423.582  167.510   2.3404   3.2910   0.0199   4.7134   4.5479   4.5972  413.347  183.242  524.666  200.612 -111.3185 271.7033 
1 1 1  -42    1   21 o  743.326  155.043   9.9857   3.4919   6.9720   4.8188   13.318   5.0670  601.672  209.048  828.889  197.953 -227.2172 287.8995 
1 1 1  -42    1   23 o  316.405  145.128  -1.4711   3.2634  -4.2414   4.5790   1.3885   4.6522  332.978  158.700  435.928  187.823 -102.9508 245.8923 
1 1 1  -42    1   25 o  375.678  157.891   1.1796   3.1488  -0.7227   4.6259   2.8220   4.2983  388.488  176.106  458.634  187.841 -70.14563 257.4833 
1 1 1  -42    1   27 o  926.973  135.336   15.243   3.8125   8.7129   5.4780   21.377   5.3092  637.210  222.803  1073.60  163.060 -436.3896 276.0975 
1 1 1  -42    1   29 o  1102.34  125.773   21.335   4.2636   20.281   6.2088   22.276   5.8651  989.481  207.044  1068.41  181.827 -78.93225 275.5511 
1 1 1  -42    1   31 o  654.833  197.423   9.1659   4.3839   6.7060   5.5406   13.284   7.1690  558.640  218.440  715.321  254.449 -156.6808 335.3515 
1 1 1  -42    1   33 o  468.401  196.651   3.7334   4.8760   3.4631   6.9294   3.9985   6.8626  489.076  219.137  497.087  220.700 -8.011108 311.0135 
1 1 1  -42    1   35 o  855.946  199.245   16.277   5.2401   11.102   7.0829   22.536   7.7885  620.352  245.611  900.486  261.046 -280.1340 358.4264 
1 1 1  -42    1   37 o  567.144  203.566   8.0301   4.5983   5.6252   6.6340   10.254   6.3794  492.181  217.830  590.182  233.275 -98.00076 319.1661 
1 1 1  -42    1   39 o  398.388  178.348   2.2455   4.5793   5.1064   6.9056   0.0000   6.1180  464.379  212.303  389.115  184.881 75.26428 281.5196 
1 1 1  -42    2    2 o  426.803  170.070   2.2413   3.4163   2.7240   4.7003   1.7007   4.9741  479.168  196.360  461.865  196.483 17.30344 277.7825 
1 1 1  -42    2    4 o  410.573  167.767   1.7107   3.4187   4.5600   4.8320  -1.1453   4.8376  534.500  205.360  399.281  180.627 135.2194 273.4938 
1 1 1  -42    2    6 o  356.530  153.303   0.3580   3.0870   3.3006   4.2153  -3.0451   4.5333  484.385  190.206  354.443  165.496 129.9422 252.1255 
1 1 1  -42    2    8 o  343.809  151.577  -0.3004   3.1820   1.8736   4.5220  -2.4325   4.4782  453.681  189.858  362.159  167.511 91.52151 253.1918 
1 1 1  -42    2   10 o  437.013  170.181   2.5677   3.3524   0.5155   4.2812   5.8205   5.3900  412.201  178.881  580.658  218.336 -168.4574 282.2570 
1 1 1  -42    2   12 o  479.209  176.454   3.6535   3.4851   2.9913   5.1130   4.2281   4.7629  498.129  204.543  523.875  203.170 -25.74585 288.2980 
1 1 1  -42    2   14 o  767.756  161.620   10.581   3.7625   11.311   5.2041   9.7828   5.4461  763.202  210.799  705.269  221.429 57.93353 305.7239 
1 1 1  -42    2   16 o  580.620  187.932   6.2109   3.8991   10.421   6.6325   3.9874   4.8199  713.313  245.398  515.527  203.084 197.7864 318.5336 
1 1 1  -42    2   18 o  322.900  146.980  -1.2977   3.2646  -1.9694   4.3709  -0.4502   4.9098  362.739  166.961  412.211  184.594 -49.47223 248.8999 
1 1 1  -42    2   20 f  512.241  169.265   4.6963   3.1562   4.1479   4.4426   5.2551   4.4847  508.609  196.506  544.399  200.210 -35.78940 280.5331 
1 1 1  -42    2   22 o  333.020  147.354  -0.2675   3.0340  -0.3369   4.5321  -0.2111   4.0842  396.499  177.470  381.624  169.809 14.87537 245.6226 
1 1 1  -42    2   24 o  1316.11  129.009   29.898   5.2482   18.137   9.1604   35.645   6.4033  851.134  288.473  1419.83  146.115 -568.6920 323.3672 
1 1 1  -42    2   26 o  479.414  166.886   4.1291   3.0718   8.0929   4.5141   0.7109   4.1920  631.200  201.994  400.909  175.439 230.2916 267.5453 
1 1 1  -42    2   28 o  578.702  167.846   6.4619   3.2192   3.7229   4.7615   8.7681   4.3691  485.370  198.122  652.817  197.150 -167.4474 279.5005 
1 1 1  -42    2   30 o  415.638  177.141   1.8396   4.0563   2.3604   5.0078   0.8459   6.9171  451.177  194.630  464.617  212.438 -13.43961 288.1157 
1 1 1  -42    2   32 o  660.472  209.343   9.8117   4.8575   2.6050   6.4340   19.364   7.4074  474.194  211.906  872.580  255.047 -398.3860 331.5918 
1 1 1  -42    2   34 o  571.188  208.238   7.5763   4.8365   9.1025   6.5552   5.7531   7.1651  592.067  235.691  522.424  228.971 69.64276 328.5994 
1 1 1  -42    2   36 o  468.255  213.155   3.4887   6.8673   0.0000   0.0000   3.4887   6.8673  ?   ?   468.255  213.155 0.000000 213.1553 
1 1 1  -42    2   38 o  300.445  144.547  -3.0125   4.0004  -1.5168   5.7547  -4.4111   5.5649  370.356  176.900  334.240  163.054 36.11575 240.5831 
1 1 1  -42    3    1 o  495.509  175.330   4.1501   3.3995   5.3961   4.6288   2.6909   5.0090  556.048  203.565  486.129  201.318 69.91837 286.2998 
1 1 1  -42    3    3 o  309.265  141.471  -1.5030   3.0724   1.2242   4.0378  -5.2535   4.7351  419.633  177.708  331.791  159.012 87.84216 238.4635 
1 1 1  -42    3    5 o  336.587  156.132  -2.4278   3.9318  -3.7442   4.6129   1.0694   7.5187  347.340  163.679  520.744  231.115 -173.4032 283.2054 
1 1 1  -42    3    7 f  388.203  158.978   1.4077   3.0784   3.2772   4.2351  -0.6865   4.4825  484.542  190.529  394.511  176.544 90.03110 259.7479 
1 1 1  -42    3    9 o  424.906  165.538   2.3793   3.1730   5.2107   4.4622  -0.5169   4.5129  550.815  200.138  399.203  178.000 151.6117 267.8417 
1 1 1  -42    3   11 o  446.522  175.266   2.6488   3.5777   3.1780   4.3400   1.5263   6.3204  484.048  192.064  498.576  216.858 -14.52771 289.6823 
1 1 1  -42    3   13 o  1072.19  121.178   19.341   3.9969   20.450   5.6292   18.214   5.6760  1065.52  174.783  993.445  189.379 72.07788 257.7082 
1 1 1  -42    3   15 o  341.963  151.971  -0.5048   3.2613   2.1402   5.3214  -2.0959   4.1273  481.946  204.046  351.025  161.817 130.9214 260.4221 
1 1 1  -42    3   17 o  398.090  159.580   1.8208   3.0265   0.3706   4.2033   3.3821   4.3612  403.481  176.143  487.406  192.806 -83.92487 261.1522 
1 1 1  -42    3   19 o  527.060  171.913   5.0012   3.2596   4.9273   4.8085   5.0640   4.4339  539.721  205.455  539.154  198.947 0.5674438 285.9923 
1 1 1  -42    3   21 o  580.673  171.390   6.2645   3.3306   11.071   4.8485   1.9702   4.5830  751.358  201.806  450.833  190.034 300.5248 277.1973 
1 1 1  -42    3   23 o  452.724  171.636   3.2289   3.3471   5.5983   5.0744   1.4041   4.4532  555.498  211.157  430.460  184.583 125.0375 280.4603 
1 1 1  -42    3   25 o  307.518  144.975  -2.8789   3.6258   2.8142   7.5353  -4.5942   4.1361  525.845  232.471  306.751  147.434 219.0947 275.2810 
1 1 1  -42    3   27 o  583.100  172.231   6.5560   3.3623   10.070   4.8987   3.4264   4.6232  694.441  208.542  478.116  195.200 216.3251 285.6440 
1 1 1  -42    3   29 o  709.201  155.638   9.4539   3.3613   11.193   4.8949   7.9020   4.6240  727.648  205.692  612.434  204.967 115.2141 290.3804 
1 1 1  -42    3   31 o  450.438  180.180   3.3421   3.8492   0.7527   4.6768   8.7793   6.7771  406.487  181.229  607.779  240.371 -201.2913 301.0349 
1 1 1  -42    3   33 o  511.686  199.917   5.3963   4.6379   5.3500   6.2529   5.4529   6.9150  517.974  220.324  523.993  227.368 -6.018799 316.6057 
1 1 1  -42    3   35 o  854.325  211.064   16.823   5.6132   14.787   7.9295   18.868   7.9472  687.560  263.333  789.693  268.687 -102.1328 376.2139 
1 1 1  -42    3   37 o  506.313  203.326   6.1406   4.9228  -0.3062   6.6803   13.801   7.2822  409.073  194.020  653.711  251.860 -244.6378 317.9261 
1 1 1  -42    4    2 o  479.819  177.969   3.6434   3.5573   7.4659   5.0680  -0.0687   4.9943  628.541  214.561  425.384  188.598 203.1564 285.6675 
1 1 1  -42    4    4 o  459.160  196.307   1.4650   5.0101   3.5312   6.7505  -1.0688   7.4755  547.846  230.765  487.399  222.073 60.44666 320.2636 
1 1 1  -42    4    6 o  529.915  188.622   4.8004   3.9401  -2.3707   6.4396   9.0916   4.9814  438.258  202.063  688.245  211.070 -249.9875 292.1984 
1 1 1  -42    4    8 o  435.741  165.414   2.7212   3.1114  -0.4201   4.2372   6.3971   4.5836  390.053  173.287  592.961  204.004 -202.9082 267.6675 
1 1 1  -42    4   10 o  384.006  161.582   0.9567   3.3040   4.7189   4.8111  -2.4013   4.5454  540.474  205.567  365.871  169.064 174.6032 266.1584 
1 1 1  -42    4   12 o  262.101  125.640  -3.6802   2.9596  -3.3459   4.3708  -3.9632   4.0220  342.418  160.721  316.225  150.147 26.19238 219.9445 
1 1 1  -42    4   14 o  250.741  121.311  -4.2282   2.9157  -3.3606   4.3140  -4.9578   3.9561  339.091  159.324  298.486  143.638 40.60489 214.5139 
1 1 1  -42    4   16 o  820.276  138.004   11.669   3.4188   11.212   5.2372   12.008   4.5130  757.527  212.281  804.321  183.277 -46.79376 280.4524 
1 1 1  -42    4   18 o  527.682  170.738   4.9937   3.2184   7.3800   4.7499   2.9682   4.3761  621.799  207.742  475.155  191.391 146.6438 282.4659 
1 1 1  -42    4   20 o  693.349  181.193   9.0572   3.9775   7.7152   5.0612   11.225   6.4321  629.363  214.420  731.335  241.635 -101.9716 323.0527 
1 1 1  -42    4   22 o  290.025  135.456  -2.2245   3.0402  -0.2461   4.1836  -4.4384   4.4257  385.265  171.613  324.679  155.097 60.58597 231.3139 
1 1 1  -42    4   24 o  483.971  169.887   4.1279   3.1864   0.0309   4.8689   7.1972   4.2142  413.568  184.611  606.836  195.272 -193.2679 268.7231 
1 1 1  -42    4   26 o  399.800  165.023   1.7578   3.3498   7.6016   4.6800  -4.3818   4.7970  612.596  206.198  337.669  161.349 274.9275 261.8229 
1 1 1  -42    4   28 o  964.643  153.424   17.064   4.4790   18.104   5.6899   15.369   7.2629  950.078  197.696  800.152  256.233 149.9257 323.6337 
1 1 1  -42    4   30 o  467.231  185.816   3.6595   4.0708   6.2895   5.4293   0.2825   6.1523  554.142  216.358  440.563  201.015 113.5786 295.3265 
1 1 1  -42    4   32 o  450.569  192.618   2.7776   4.8228  -5.4038   6.8431   10.852   6.7981  382.391  185.215  652.210  245.210 -269.8194 307.2991 
1 1 1  -42    4   34 o  558.331  207.969   7.1356   4.8678   6.3867   6.5088   8.0861   7.3327  534.047  225.862  566.981  239.757 -32.93439 329.3889 
1 1 1  -42    4   36 o  559.023  207.609   7.6148   4.8439   2.4644   6.5038   14.030   7.2587  450.306  205.932  676.915  253.600 -226.6088 326.6812 
1 1 1  -42    4   38 o  878.310  208.425   18.643   5.6460   23.406   7.5447   12.582   8.5116  886.851  256.880  585.213  253.093 301.6384 360.6153 
1 1 1  -42    5    1 o  478.198  173.488   3.7141   3.3511  -6.9422   5.2165   11.202   4.3727  332.716  161.295  777.504  182.702 -444.7879 243.7130 
1 1 1  -42    5    3 o  464.162  175.139   3.2440   3.4746   0.0988   4.7285   6.9358   5.1229  419.820  184.949  612.530  215.389 -192.7101 283.8984 
1 1 1  -42    5    5 o  469.045  196.974   2.0111   4.8942   0.0000   0.0000   2.0111   4.8942  ?   ?   469.045  196.974 0.000000 196.9740 
1 1 1  -42    5    7 f  513.900  174.570   4.5571   3.3547   2.9569   4.8165   6.0648   4.6751  491.110  199.727  582.500  205.663 -91.39093 286.6853 
1 1 1  -42    5    9 o  462.045  168.348   3.3613   3.1603   2.4037   4.6047   4.2140   4.3453  470.698  193.792  516.973  195.666 -46.27502 275.3911 
1 1 1  -42    5   11 o  456.486  166.181   3.2739   3.0785   2.5845   4.3952   3.9380   4.3134  469.164  190.796  507.233  194.231 -38.06924 272.2660 
1 1 1  -42    5   13 o  427.020  164.902   2.4842   3.1274   5.8293   4.4878  -0.6740   4.3605  571.753  201.540  389.553  174.239 182.2006 266.4162 
1 1 1  -42    5   15 o  470.444  172.069   3.5326   3.3061   0.7039   4.6197   6.5025   4.7336  428.167  185.814  595.124  207.168 -166.9571 278.2902 
1 1 1  -42    5   17 o  345.032  151.282  -0.1056   3.1305  -7.1406   4.3091   7.7569   4.5555  289.113  141.559  638.119  202.782 -349.0058 247.3045 
1 1 1  -42    5   19 o  635.527  187.539   7.6285   3.9882   7.2542   5.1850   8.1707   6.2409  616.457  216.695  645.717  236.374 -29.25983 320.6701 
1 1 1  -42    5   21 o  350.851  152.013   0.2758   3.0817   1.9600   4.3906  -1.3596   4.3266  445.504  186.799  370.299  168.806 75.20490 251.7727 
1 1 1  -42    5   23 o  393.623  160.583   1.6912   3.1259  -1.1055   4.5146   4.2666   4.3323  380.740  173.128  506.863  194.521 -126.1226 260.4068 
1 1 1  -42    5   25 o  367.518  157.342   0.7610   3.2266   2.3228   4.7718  -0.5546   4.3795  459.034  193.722  383.505  172.824 75.52960 259.6078 
1 1 1  -42    5   27 o  379.434  167.846   0.2025   3.9339   0.3123   4.8858  -0.0000   6.6337  414.797  185.061  458.180  208.928 -43.38339 279.1034 
1 1 1  -42    5   29 o  566.304  199.718   6.5015   4.4075   5.9734   6.3635   6.9884   6.1106  556.643  228.335  579.693  228.568 -23.05029 323.0790 
1 1 1  -42    5   31 o  436.848  187.394   2.2148   4.5930 -12.9996   6.2195   20.465   6.8118  305.653  153.060  953.328  230.687 -647.6748 276.8463 
1 1 1  -42    5   33 o  629.322  211.297   9.0811   4.9142   1.8270   6.5448   18.456   7.4403  460.407  209.006  836.354  258.201 -375.9470 332.1913 
1 1 1  -42    5   35 o  415.767  183.547   1.8583   4.6812  -3.0864   6.3155   7.8873   6.9736  381.749  183.136  556.477  234.482 -174.7289 297.5240 
1 1 1  -42    5   37 o  799.192  201.986   14.893   5.0570   14.710   7.2475   15.066   7.0595  681.169  253.755  697.816  252.013 -16.64667 357.6345 
1 1 1  -42    6    2 o  502.934  173.067   4.3301   3.2989   4.7307   4.4934   3.8617   4.8587  534.922  199.701  515.600  203.649 19.32202 285.2258 
1 1 1  -42    6    4 o  362.763  160.719  -0.4186   3.6205  -5.3128   6.2112   2.1001   4.4558  392.092  186.292  458.056  189.798 -65.96368 265.9475 
1 1 1  -42    6    6 o  361.354  160.335  -0.4831   3.6164   5.6064   6.9436  -2.7497   4.2363  598.341  241.057  346.423  161.158 251.9178 289.9664 
1 1 1  -42    6    8 o  456.073  173.333   3.0233   3.4189   3.7785   5.0479   2.3833   4.6471  519.374  206.803  471.917  194.533 47.45697 283.9198 
1 1 1  -42    6   10 f  505.290  173.409   4.3548   3.3109   4.8523   4.6798   3.8563   4.6848  543.474  203.623  513.388  200.830 30.08588 285.9981 
1 1 1  -42    6   12 o  800.363  174.358   11.631   4.2460   5.8227   8.6089   13.498   4.8810  624.966  261.784  855.174  187.450 -230.2078 321.9757 
1 1 1  -42    6   14 o  601.503  169.430   6.5724   3.3273   6.0187   5.2379   6.9471   4.3082  584.798  216.144  611.827  197.494 -27.02899 292.7835 
1 1 1  -42    6   16 o  554.810  186.895   5.5256   3.8448  -8.5801   7.6426   10.305   4.4487  405.299  196.167  740.277  190.739 -334.9773 273.6102 
1 1 1  -42    6   18 o  676.180  180.287   8.5217   3.8870   8.5265   4.8339   8.5128   6.5383  663.881  208.643  658.733  241.818 5.147827 319.3867 
1 1 1  -42    6   20 o  486.769  177.063   3.9495   3.4939   1.7171   4.9815   6.1111   4.9018  459.092  195.998  577.675  209.786 -118.5828 287.0983 
1 1 1  -42    6   22 o  559.816  175.876   5.8093   3.4352   6.0713   5.0986   5.5915   4.6487  574.122  213.042  555.534  203.907 18.58826 294.8984 
1 1 1  -42    6   24 o  382.782  156.964   1.5149   3.0058   4.2126   4.4450  -0.7582   4.0802  505.908  196.251  369.128  166.535 136.7804 257.3882 
1 1 1  -42    6   26 o  472.668  181.993   3.6371   3.8005   2.5700   4.6007   5.9298   6.7434  459.439  191.820  573.101  235.066 -113.6615 303.3986 
1 1 1  -42    6   28 o  328.739  154.101  -2.5166   3.9960   5.6922   5.7139 -10.3746   5.5905  550.679  219.785  306.811  152.258 243.8682 267.3728 
1 1 1  -42    6   30 o  566.551  201.613   6.6026   4.5013   2.1250   6.4617   10.824   6.2740  478.877  213.298  679.010  238.385 -200.1337 319.8799 
1 1 1  -42    6   32 o  735.354  211.328   11.993   5.1243   15.102   7.8076   9.6407   6.7918  743.773  265.437  625.079  242.559 118.6937 359.5718 
1 1 1  -42    6   34 o  492.042  178.387   4.8925   3.5421  -0.3124   6.3798   7.2119   4.2588  422.298  196.894  571.143  196.634 -148.8450 278.2664 
1 1 1  -42    6   36 o  809.158  203.278   14.959   5.1438   18.361   8.4349   12.945   6.4902  744.922  274.480  677.783  241.996 67.13904 365.9255 
1 1 1  -42    7    1 o  458.436  175.400   3.0538   3.5157   2.4609   5.0454   3.6133   4.9016  483.500  201.287  509.554  203.502 -26.05405 286.2333 
1 1 1  -42    7    3 o  288.227  135.956  -2.9795   3.1969  -4.8145   5.1226  -1.8090   4.0913  355.407  168.955  356.045  163.011 -0.6378479 234.7730 
1 1 1  -42    7    5 o  357.260  155.310   0.0822   3.2385   1.4644   4.5977  -1.2787   4.5624  447.445  189.565  387.328  175.299 60.11636 258.1950 
1 1 1  -42    7    7 f  319.363  149.191  -2.7726   3.6914   7.1006   8.0794  -5.3773   4.1498  646.531  260.183  303.818  146.425 342.7135 298.5554 
1 1 1  -42    7    9 o  381.268  159.768   0.9769   3.2086   5.3848   4.3042  -4.5367   4.8139  556.972  197.262  346.349  164.396 210.6228 256.7848 
1 1 1  -42    7   11 o  391.140  161.761   1.2793   3.2277  -2.8074   4.4438   5.8427   4.6958  355.303  165.212  576.268  205.833 -220.9648 263.9355 
1 1 1  -42    7   13 o  407.663  172.930   1.0101   3.8339   3.7971   4.6081  -5.2576   6.9105  509.670  199.234  417.612  197.855 92.05841 280.7857 
1 1 1  -42    7   15 o  656.188  173.553   7.8799   3.6208   5.9174   5.1603   9.7831   5.0817  580.960  214.576  711.687  212.102 -130.7271 301.7119 
1 1 1  -42    7   17 f  431.803  168.913   2.4807   3.3140  -0.3095   4.5424   5.6558   4.8456  403.314  179.288  567.569  208.204 -164.2552 274.7600 
1 1 1  -42    7   19 o  861.091  145.772   12.999   3.7902   6.1586   5.2680   20.340   5.4573  584.528  216.622  1062.78  169.697 -478.2546 275.1765 
1 1 1  -42    7   21 o  637.589  164.301   7.4606   3.3007   9.8799   4.8782   5.4177   4.4826  709.167  206.885  550.935  200.532 158.2325 288.1229 
1 1 1  -42    7   23 o  359.733  155.097   0.4674   3.1765   3.8884   4.5322  -2.8355   4.4533  500.395  196.992  349.482  163.459 150.9134 255.9780 
1 1 1  -42    7   25 o  720.904  216.224   10.702   5.2686   8.0779   7.4492   13.328   7.4528  630.597  251.180  762.525  260.191 -131.9276 361.6503 
1 1 1  -42    7   27 o  383.976  175.639  -1.1422   4.7350  -3.3397   6.6636   1.0988   6.7294  415.576  196.105  479.391  215.293 -63.81448 291.2182 
1 1 1  -42    7   29 o  700.727  207.159   10.327   4.8624   13.226   6.9154   7.4929   6.8381  745.215  250.654  596.089  239.546 149.1259 346.7128 
1 1 1  -42    7   31 o  516.613  197.963   5.1624   4.4827   1.5574   6.3907   8.6541   6.2895  464.983  209.227  613.529  234.634 -148.5457 314.3708 
1 1 1  -42    7   33 o  344.391  156.593  -0.5247   3.6929   1.2611   7.0657  -1.1959   4.3317  463.387  212.914  355.952  164.678 107.4346 269.1674 
1 1 1  -42    7   35 o  659.804  202.833   9.9798   4.5970   18.820   6.8628   2.7850   6.1913  855.669  244.140  461.183  206.853 394.4855 319.9884 
1 1 1  -42    8    2 o  542.041  186.196   5.1426   3.8176   11.048   5.7380   0.4528   5.1136  749.525  225.840  442.011  193.588 307.5145 297.4556 
1 1 1  -42    8    4 o  371.188  160.613   0.2561   3.4312   3.0571   5.0488  -2.1480   4.6774  500.936  204.191  376.857  173.184 124.0796 267.7437 
1 1 1  -42    8    6 o  317.996  144.516  -1.3375   3.1401  -2.4209   4.3110  -0.1130   4.5830  356.174  164.605  411.999  181.762 -55.82516 245.2190 
1 1 1  -42    8    8 o  573.174  193.404   5.8516   4.1173  -2.6000   8.7659   8.2439   4.6638  506.057  234.172  663.066  204.378 -157.0094 310.8165 
1 1 1  -42    8   10 o  660.833  167.409   7.8720   3.4681   8.6683   5.1156   7.1948   4.7177  675.707  214.903  624.311  206.974 51.39557 298.3650 
1 1 1  -42    8   12 o  290.484  135.936  -2.5237   3.0868  -4.2958   4.5357  -0.9948   4.2130  337.085  159.875  378.087  170.026 -41.00272 233.3855 
1 1 1  -42    8   14 o  344.069  156.966  -1.5900   3.7497  -5.8739   4.5285   7.7525   6.6875  315.581  152.306  647.711  243.269 -332.1294 287.0136 
1 1 1  -42    8   16 o  583.149  175.832   6.1838   3.4773   2.1991   5.1335   9.5623   4.7269  479.997  201.661  708.343  202.795 -228.3462 285.9945 
1 1 1  -42    8   18 o  382.357  161.813   0.8793   3.3442  -3.5006   5.8072   3.0526   4.0907  398.502  186.473  472.393  186.773 -73.89139 263.9252 
1 1 1  -42    8   20 o  533.528  185.382   5.0456   3.7895   10.633   6.9883   2.7183   4.5103  714.756  251.545  471.979  192.760 242.7775 316.9087 
1 1 1  -42    8   22 o  239.428  117.435  -5.3639   3.0049   1.4979   5.5238  -8.2481   3.5812  468.759  203.308  240.315  119.686 228.4441 235.9214 
1 1 1  -42    8   24 o  513.173  196.493   4.4080   4.4143   3.3369   6.2988   5.4418   6.1881  520.649  221.289  565.584  227.669 -44.93463 317.4935 
1 1 1  -42    8   26 o  540.005  205.703   5.2652   4.8221   6.4473   6.5302   3.8477   7.1510  586.081  234.596  539.484  232.652 46.59656 330.3975 
1 1 1  -42    8   28 o  959.572  201.597   18.422   5.8647   20.185   8.3782   16.729   8.2122  911.321  272.514  820.938  273.117 90.38275 385.8195 
1 1 1  -42    8   30 o  477.133  175.907   4.1094   3.4651   13.187   6.3508   0.2619   4.1347  753.771  239.417  384.375  170.952 369.3965 294.1857 
1 1 1  -42    8   32 o  629.462  183.638   8.1383   3.8434   11.426   6.8280   6.6134   4.6501  674.899  247.214  559.701  204.165 115.1988 320.6216 
1 1 1  -42    8   34 o  292.094  137.764  -2.2550   3.2808  -6.7393   6.0443  -0.3820   3.9063  343.264  167.985  353.567  160.877 -10.30298 232.5948 
1 1 1  -42    9    1 o  472.610  179.113   3.3360   3.6443   6.2650   6.3631   1.9063   4.4456  606.041  234.888  453.009  188.797 153.0319 301.3583 
1 1 1  -42    9    3 o  472.341  188.980   2.8045   4.2353   0.0000   0.0000   2.8045   4.2353  ?   ?   472.341  188.980 0.000000 188.9796 
1 1 1  -42    9    5 o  318.024  147.950  -2.5144   3.5708   0.5575   5.5069  -4.7430   4.6904  459.273  201.028  338.457  161.120 120.8166 257.6274 
1 1 1  -42    9    7 o  788.901  172.526   11.201   4.1431   9.3027   7.2178   12.134   5.0597  695.370  254.254  804.464  201.341 -109.0941 324.3198 
1 1 1  -42    9    9 o  625.161  192.109   7.1689   4.1242   5.1240   6.9924   8.2598   5.1072  592.329  240.743  662.725  215.139 -70.39648 322.8649 
1 1 1  -42    9   11 o  556.181  187.848   5.4386   3.8842   6.0329   6.9243   5.1657   4.6919  611.363  242.593  555.776  204.724 55.58691 317.4323 
1 1 1  -42    9   13 o  362.615  159.435  -0.2186   3.4984  -1.1546   5.6641   0.3587   4.4484  432.766  195.641  416.926  181.631 15.84045 266.9557 
1 1 1  -42    9   15 o  321.030  151.518  -3.5570   3.9813   6.1329   5.4793 -14.3948   5.7947  593.033  220.695  294.367  147.458 298.6661 265.4242 
1 1 1  -42    9   17 o  225.955  112.404  -7.2530   3.1210  -5.9221   6.4312  -7.6629   3.5695  392.488  187.343  246.774  122.326 145.7144 223.7435 
1 1 1  -42    9   19 o  284.076  134.354  -3.0481   3.1601   3.2966   5.5776  -6.0475   3.8349  515.091  212.802  278.150  135.618 236.9407 252.3430 
1 1 1  -42    9   21 o  580.480  207.963   6.1731   4.7969   5.4568   6.3145   7.1506   7.3764  576.486  230.713  627.177  249.908 -50.69073 340.1210 
1 1 1  -42    9   23 o  864.018  196.710   14.339   5.2025   11.645   6.9911   17.683   7.7884  735.440  251.998  896.136  261.406 -160.6965 363.0921 
1 1 1  -42    9   25 o  564.023  208.364   5.9103   4.8664   5.2638   6.6247   6.6680   7.1722  565.372  232.567  601.717  244.087 -36.34521 337.1441 
1 1 1  -42    9   27 o  434.952  187.551   1.4810   4.6462  -1.8771   6.2603   5.5986   6.9324  424.505  196.949  568.676  236.277 -144.1714 307.5970 
1 1 1  -42    9   29 o  380.649  165.221   0.7463   3.6536  -0.9485   7.1638   1.3421   4.2476  455.617  211.135  415.428  179.229 40.18878 276.9498 
1 1 1  -42    9   31 o  506.608  185.534   4.8922   3.8456  -1.9179   6.4064   8.7284   4.8082  416.974  195.353  636.989  208.844 -220.0155 285.9693 
1 1 1  -42   10    2 o  578.690  173.271   6.0253   3.3855   11.206   5.9131   3.4990   4.1292  755.460  229.627  490.971  189.516 264.4889 297.7327 
1 1 1  -42   10    4 o  559.846  186.463   5.5363   3.8274   9.3361   6.9123   3.8563   4.5963  695.637  249.596  513.775  199.491 181.8622 319.5234 
1 1 1  -42   10    6 o  381.723  165.733   0.1832   3.6784   3.1385   6.4357  -1.2507   4.4829  539.347  226.153  386.063  174.332 153.2835 285.5470 
1 1 1  -42   10    8 f  362.279  161.982  -0.8266   3.7650   1.1512   6.4244  -1.8612   4.6466  499.979  218.031  381.989  174.446 117.9904 279.2295 
1 1 1  -42   10   10 o  930.994  147.838   14.972   4.1657   13.596   7.6198   15.558   4.9749  813.569  262.656  931.502  177.034 -117.9322 316.7481 
1 1 1  -42   10   12 o  310.918  143.085  -1.8674   3.2084  -5.8625   6.6643  -0.6621   3.6605  404.498  192.415  360.585  160.579 43.91302 250.6180 
1 1 1  -42   10   14 o  669.023  167.915   8.0669   3.5121   17.200   6.2071   3.7661   4.2596  951.848  213.518  502.838  192.904 449.0097 287.7533 
1 1 1  -42   10   16 o  439.522  191.033   0.6653   4.8976   3.8982   6.6966  -3.0525   7.1814  557.411  231.963  454.126  210.780 103.2850 313.4248 
1 1 1  -42   10   18 o  443.466  175.803   2.5007   3.6332   8.1800   6.0339  -0.7296   4.5507  654.414  233.368  396.340  177.585 258.0737 293.2522 
1 1 1  -42   10   20 o  769.290  207.465   11.454   5.1119   17.439   6.6922   3.0696   7.9210  934.530  230.203  559.443  243.049 375.0869 334.7626 
1 1 1  -42   10   22 o  700.176  211.950   9.6529   5.0453   14.211   6.6934   3.6551   7.6778  824.276  242.876  560.435  241.380 263.8405 342.4222 
1 1 1  -42   10   24 o  695.118  211.935   9.6476   5.0314   11.547   6.6355   7.0783   7.7174  735.202  245.537  620.716  252.669 114.4854 352.3216 
1 1 1  -42   10   26 o  688.950  212.447   9.6508   5.0387   7.8847   6.6816   11.980   7.6724  625.544  241.182  725.685  262.626 -100.1407 356.5687 
1 1 1  -42   10   28 o  673.627  179.773   8.7957   3.8625   23.594   7.8077   4.0004   4.4445  1042.13  243.630  494.351  194.928 547.7811 312.0139 
1 1 1  -42   10   30 o  275.567  132.173  -3.6388   3.2864  -3.8725   5.8592  -3.5316   3.9695  379.747  180.576  311.009  148.100 68.73810 233.5408 
1 1 1  -42   11    3 o  381.794  165.584   0.2176   3.6638   4.0073   6.5539  -1.5050   4.4188  560.235  230.989  378.261  171.723 181.9740 287.8275 
1 1 1  -42   11    5 o  424.688  172.508   1.8546   3.5877  -2.0096   6.7652   3.3666   4.2318  458.664  209.854  491.334  191.241 -32.67020 283.9225 
1 1 1  -42   11    7 o  460.832  188.653   2.2080   4.3330   0.0000   0.0000   2.2080   4.3330  ?   ?   460.832  188.653 0.000000 188.6530 
1 1 1  -42   11    9 o  507.345  177.756   4.2687   3.4877   14.989   6.7842   0.4178   4.0661  871.083  240.717  404.858  175.012 466.2244 297.6139 
1 1 1  -42   11   11 o  324.319  149.203  -1.9763   3.4846  -4.7533   6.5592  -0.8844   4.1130  414.920  195.421  377.516  169.013 37.40390 258.3690 
1 1 1  -42   11   13 o  424.419  171.688   1.9122   3.5379  -4.8010   6.0452   5.4093   4.3631  394.875  186.472  560.851  198.611 -165.9766 272.4300 
1 1 1  -42   11   15 o  450.610  175.144   2.7287   3.5456   0.9086   7.1788   3.3159   4.0777  514.742  227.267  484.537  187.966 30.20444 294.9261 
1 1 1  -42   11   17 o  263.623  131.147  -9.6101   4.2502 -11.9197   5.3573  -5.6874   6.9818  294.463  146.610  415.847  197.558 -121.3843 246.0158 
1 1 1  -42   11   19 o  508.030  201.910   3.6253   4.8037   6.4800   6.2271  -0.5700   7.5490  608.164  233.256  496.845  225.121 111.3190 324.1722 
1 1 1  -42   11   21 o  606.142  214.266   6.8353   5.0759   14.961   6.6417  -4.5749   7.8704  855.193  238.849  451.841  213.189 403.3518 320.1540 
1 1 1  -42   11   23 o  494.540  201.128   3.2653   4.8845   6.3057   6.4369  -0.8624   7.4999  596.966  234.841  484.333  221.356 112.6323 322.7212 
1 1 1  -42   11   25 o  411.498  166.183   2.0132   3.3087  -2.7371   5.2642   5.1152   4.2539  383.967  178.965  535.514  195.285 -151.5473 264.8865 
1 1 1  -42   11   27 o  631.315  194.579   7.8352   4.2274   8.2785   5.5425   7.2185   6.5365  635.487  223.978  606.321  237.212 29.16614 326.2453 
1 1 1  -42   12    8 o  549.283  177.543   5.2769   3.4808   9.5636   5.8068   2.8727   4.3487  708.506  229.346  480.864  191.796 227.6427 298.9743 
1 1 1  -42   12   10 o  434.459  182.433   1.3723   4.1976  -0.9103   10.399   1.8166   4.5880  569.960  260.555  459.544  191.683 110.4156 323.4674 
1 1 1  -42   12   12 o  486.580  174.517   3.7850   3.3790   2.1208   5.3455   4.8925   4.3606  490.117  205.841  544.362  197.839 -54.24487 285.5013 
1 1 1  -42   12   14 o  311.501  144.001  -2.1185   3.3027   4.5552   5.2056  -6.6144   4.2727  547.943  212.430  295.738  143.964 252.2047 256.6169 
1 1 1  -42   12   16 o  523.690  196.322   4.3374   4.3514   5.7718   5.2425   1.1603   7.8023  582.399  216.044  534.942  236.520 47.45734 320.3389 
1 1 1  -42   12   18 o  702.386  199.472   9.2885   4.5923   5.4446   5.4798   18.357   8.4170  573.876  219.120  929.081  271.961 -355.2049 349.2511 
1 1 1  -42   12   20 o  581.018  198.379   6.1192   4.3324   12.817   5.4102  -5.8527   7.2332  815.637  210.436  420.504  200.152 395.1332 290.4207 
1 1 1  -42   12   22 o  903.350  137.541   14.104   3.7677   20.842   5.7074   8.8999   5.0160  1072.02  176.146  676.485  212.524 395.5338 276.0319 
1 1 1  -42   12   24 f  245.800  121.087  -6.3080   3.3094  -3.2609   5.3743  -8.1691   4.2002  382.570  179.136  272.387  134.600 110.1832 224.0692 
1 1 1  -41    0    1 o  345.404  232.855  -1.5270   7.2757  -1.5270   7.2757  -1.5270   7.2757  345.404  232.855  345.404  232.855 -0.000000 0.000000 
1 1 1  -41    0    3 o  250.835  176.889  -5.5793   5.5317  -5.5793   5.5317  -5.5793   5.5317  250.835  176.889  250.835  176.889 -0.000000 0.000000 
1 1 1  -41    0    5 o  290.565  190.175  -0.0307   4.2880  -0.0307   4.2880  -0.0307   4.2880  290.565  190.175  290.565  190.175 -0.000000 0.000000 
1 1 1  -41    0    7 o  297.535  192.919   0.3130   4.2682   0.3130   4.2682   0.3130   4.2682  297.535  192.919  297.535  192.919 -0.000000 0.000000 
1 1 1  -41    0    9 o  459.762  239.943   5.4476   4.5188   5.4476   4.5188   5.4476   4.5188  459.762  239.943  459.762  239.943 -0.000000 0.000000 
1 1 1  -41    0   11 o  385.503  220.951   3.4973   4.2298   3.4973   4.2298   3.4973   4.2298  385.503  220.951  385.503  220.951 -0.000000 0.000000 
1 1 1  -41    0   13 o  483.286  252.380   6.0804   5.0018   6.0804   5.0018   6.0804   5.0018  483.286  252.380  483.286  252.380 -0.000000 0.000000 
1 1 1  -41    0   15 o  444.482  241.533   5.0392   4.7393   5.0392   4.7393   5.0392   4.7393  444.482  241.533  444.482  241.533 -0.000000 0.000000 
1 1 1  -41    0   17 o  916.695  210.500   15.919   5.2613   15.919   5.2613   15.919   5.2613  916.695  210.500  916.695  210.500 -0.000000 0.000000 
1 1 1  -41    0   19 o  474.177  246.141   5.8248   4.7360   5.8248   4.7360   5.8248   4.7360  474.177  246.141  474.177  246.141 -0.000000 0.000000 
1 1 1  -41    0   21 o  572.637  252.434   8.0968   4.7501   8.0968   4.7501   8.0968   4.7501  572.637  252.434  572.637  252.434 -0.000000 0.000000 
1 1 1  -41    0   23 o  309.246  198.830   0.6610   4.4075   0.6610   4.4075   0.6610   4.4075  309.246  198.830  309.246  198.830 -0.000000 0.000000 
1 1 1  -41    0   25 o  185.666  134.858  -8.7207   4.3713  -8.7207   4.3713  -8.7207   4.3713  185.666  134.858  185.666  134.858 -0.000000 0.000000 
1 1 1  -41    0   27 o  1391.59  152.421   32.795   6.4389   32.795   6.4389   32.795   6.4389  1391.59  152.421  1391.59  152.421 -0.000000 0.000000 
1 1 1  -41    0   29 o  1281.89  159.216   28.196   6.1252   28.196   6.1252   28.196   6.1252  1281.89  159.216  1281.89  159.216 -0.000000 0.000000 
1 1 1  -41    0   31 o  451.372  238.631   5.3204   4.5131   5.3204   4.5131   5.3204   4.5131  451.372  238.631  451.372  238.631 -0.000000 0.000000 
1 1 1  -41    0   33 o  1298.59  225.148   31.214   8.3300   31.214   8.3300   31.214   8.3300  1298.59  225.148  1298.59  225.148 -0.000000 0.000000 
1 1 1  -41    0   35 o  512.987  248.028   6.8719   4.6396   6.8719   4.6396   6.8719   4.6396  512.987  248.028  512.987  248.028 -0.000000 0.000000 
1 1 1  -41    0   37 o  253.624  172.964  -1.8765   4.2526  -1.8765   4.2526  -1.8765   4.2526  253.624  172.964  253.624  172.964 -0.000000 0.000000 
1 1 1  -41    0   39 o  443.271  271.285   4.6349   7.1895   4.6349   7.1895   4.6349   7.1895  443.271  271.285  443.271  271.285 -0.000000 0.000000 
1 1 1  -41    0   41 o  418.396  254.061   4.1135   6.1943   4.1135   6.1943   4.1135   6.1943  418.396  254.061  418.396  254.061 -0.000000 0.000000 
1 1 1  -41    1    2 o  603.318  189.978   6.6847   4.0056   17.854   6.8108   0.7788   4.9526  951.788  230.891  443.252  192.378 508.5362 300.5321 
1 1 1  -41    1    4 o  414.273  160.788   2.2313   2.9849  -2.0678   4.3874   5.9357   4.0726  365.548  167.892  575.302  192.361 -209.7535 255.3239 
1 1 1  -41    1    6 o  630.935  168.533   7.1817   3.3926   9.6014   4.9765   5.0807   4.6373  710.725  209.425  551.757  203.485 158.9684 292.0018 
1 1 1  -41    1    8 o  1267.56  150.445   27.673   5.8546   17.885   8.2259   37.721   8.3346  923.929  268.400  1447.03  188.415 -523.1005 327.9306 
1 1 1  -41    1   10 o  462.798  163.774   3.4475   2.9662   7.5194   4.1386  -0.8535   4.2535  638.707  191.654  383.369  171.737 255.3381 257.3419 
1 1 1  -41    1   12 o  377.322  157.688   0.9749   3.1134   1.1110   4.3447   0.8313   4.4637  430.838  183.466  428.476  184.296 2.362061 260.0475 
1 1 1  -41    1   14 o  573.363  177.410   5.9216   3.5104   8.3219   4.8430   3.2645   5.0955  663.611  208.885  507.317  205.756 156.2939 293.2038 
1 1 1  -41    1   16 o  216.866  107.999  -6.9587   2.9137  -3.9261   4.0612 -10.1756   4.1828  319.002  151.293  255.212  127.460 63.78958 197.8274 
1 1 1  -41    1   18 o  594.419  170.430   6.4391   3.3363   3.7897   4.6890   9.1557   4.7481  508.874  200.357  690.944  204.818 -182.0697 286.5198 
1 1 1  -41    1   20 o  412.034  164.143   2.0670   3.1815  -3.8139   4.2482   9.5788   4.8012  327.924  155.295  702.775  205.311 -374.8503 257.4281 
1 1 1  -41    1   22 o  448.095  167.966   3.1137   3.1851   7.5521   4.5896  -1.0097   4.4237  625.485  203.991  381.442  172.626 244.0430 267.2306 
1 1 1  -41    1   24 o  963.364  127.388   15.986   3.7484   15.216   5.4560   16.674   5.1586  882.036  201.907  943.096  181.273 -61.06000 271.3418 
1 1 1  -41    1   26 o  338.233  148.684  -0.0069   3.0412   0.9282   4.1711  -1.0683   4.4436  407.590  176.723  376.101  171.305 31.48907 246.1226 
1 1 1  -41    1   28 o  842.833  137.353   12.661   3.5000   9.2636   5.0451   15.814   4.8597  662.813  213.696  909.658  176.984 -246.8452 277.4690 
1 1 1  -41    1   30 o  284.998  132.226  -1.6144   2.8219   2.9586   4.1130  -5.6813   3.8787  449.576  183.896  277.366  135.489 172.2097 228.4182 
1 1 1  -41    1   32 o  588.850  166.599   6.8617   3.2097   8.5221   4.7597   5.4770   4.3466  621.778  207.955  521.829  196.097 99.94904 285.8307 
1 1 1  -41    1   34 o  353.227  156.136   0.4834   3.3980  -2.7893   4.3112   5.8506   5.5211  327.764  155.575  524.364  213.611 -196.5993 264.2594 
1 1 1  -41    1   36 f  337.226  147.406   0.6992   2.9520  -5.5990   4.2958   6.3343   4.0633  287.811  141.011  532.057  191.318 -244.2458 237.6691 
1 1 1  -41    1   38 o  335.820  155.055  -0.4844   3.8122  -0.4383   4.7044  -0.5727   6.5059  363.220  169.258  400.783  190.491 -37.56274 254.8236 
1 1 1  -41    1   40 o  521.171  223.768   8.5671   6.5598   8.5671   6.5598   0.0000   0.0000  521.171  223.768  ?   ?  0.000000 223.7682 
1 1 1  -41    2    1 o  454.789  171.482   3.0754   3.3296  -1.0245   4.6053   7.5652   4.8194  393.080  177.173  634.390  209.139 -241.3099 274.0976 
1 1 1  -41    2    3 o  745.434  185.155   10.260   4.3023   10.027   7.9943   10.355   5.1046  710.773  266.168  734.958  210.835 -24.18500 339.5536 
1 1 1  -41    2    5 o  269.035  128.212  -3.3986   2.9871  -4.5131   4.2722  -2.3326   4.1781  321.681  153.309  351.486  162.302 -29.80505 223.2613 
1 1 1  -41    2    7 o  568.123  172.781   5.7746   3.3472  -1.3457   4.6342   13.541   4.8397  390.040  176.586  861.169  184.997 -471.1289 255.7469 
1 1 1  -41    2    9 f  254.137  123.663  -5.0253   3.1439 -11.1271   4.2405   2.4219   4.6848  250.989  125.790  475.754  195.623 -224.7643 232.5758 
1 1 1  -41    2   11 o  445.460  164.407   2.9929   3.0283   3.3927   4.1445   2.5350   4.4356  488.498  189.501  471.176  191.649 17.32196 269.5174 
1 1 1  -41    2   13 o  560.453  175.871   5.6128   3.4361   7.7098   5.0894   3.8563   4.6580  642.158  215.034  513.994  200.479 128.1643 293.9922 
1 1 1  -41    2   15 o  564.770  174.801   5.7328   3.4076   5.4689   4.6610   6.0358   4.9944  563.060  204.555  584.920  211.859 -21.85968 294.4948 
1 1 1  -41    2   17 o  419.190  165.463   2.1931   3.2055   2.1475   4.5207   2.2392   4.5460  460.509  191.025  463.641  191.877 -3.131592 270.7536 
1 1 1  -41    2   19 o  563.062  168.423   5.7481   3.1999   4.6787   4.3490   7.0103   4.7249  528.899  196.660  611.348  207.179 -82.44879 285.6543 
1 1 1  -41    2   21 o  525.840  170.810   4.9646   3.2192   4.7035   4.2506   5.3157   4.9296  525.571  194.621  553.812  208.694 -28.24060 285.3601 
1 1 1  -41    2   23 o  365.959  153.429   0.9939   2.9615   4.5907   4.5008  -1.7524   3.9328  522.082  198.765  345.195  158.696 176.8872 254.3462 
1 1 1  -41    2   25 o  463.420  165.382   3.6662   3.0309   1.3739   4.2935   5.9430   4.2791  424.109  181.535  560.925  196.874 -136.8160 267.7951 
1 1 1  -41    2   27 o  1016.04  118.124   17.702   3.6880   21.856   5.4242   14.131   5.0293  1089.45  164.098  846.677  193.877 242.7692 254.0007 
1 1 1  -41    2   29 o  650.917  167.464   8.1454   3.4329   8.2656   4.7100   8.0092   5.0139  628.523  206.729  615.974  213.281 12.54877 297.0283 
1 1 1  -41    2   31 o  818.926  151.947   12.509   3.7529   10.130   5.3245   14.858   5.2904  671.793  219.746  841.630  203.079 -169.8369 299.2144 
1 1 1  -41    2   33 o  734.386  159.729   10.462   3.5684   11.684   5.2065   9.3786   4.9005  716.103  214.980  643.367  210.833 72.73639 301.1100 
1 1 1  -41    2   35 o  444.373  177.703   3.5591   3.7430   1.5242   4.5009   8.1217   6.7396  406.820  179.769  567.048  234.066 -160.2278 295.1336 
1 1 1  -41    2   37 o  652.856  194.426   9.8517   4.2711   12.091   5.2918   5.6672   7.2343  690.255  218.473  502.340  224.576 187.9146 313.3122 
1 1 1  -41    2   39 f  446.178  203.199   3.5854   6.2499   3.5854   6.2499   0.0000   0.0000  446.178  203.199  ?   ?  0.000000 203.1991 
1 1 1  -41    2   41 o  723.152  258.727   19.492   7.4223   0.0000   0.0000   19.492   7.4223  ?   ?   723.152  258.727 0.000000 258.7273 
1 1 1  -41    3    2 o  713.534  162.378   9.1257   3.5463   4.6790   5.1103   13.256   4.9254  545.379  210.743  845.764  190.555 -300.3851 284.1191 
1 1 1  -41    3    4 o  430.926  163.480   2.6244   3.0379   1.9959   4.2019   3.3127   4.3971  448.414  184.928  491.681  193.882 -43.26682 267.9341 
1 1 1  -41    3    6 f  224.247  111.456  -7.0107   3.0406 -15.2137   4.7185  -1.1851   3.9763  244.971  123.934  363.999  164.295 -119.0278 205.7975 
1 1 1  -41    3    8 o  394.155  164.237   1.1616   3.3632  -5.6691   4.8756   7.3624   4.6453  335.021  160.770  631.236  205.194 -296.2154 260.6751 
1 1 1  -41    3   10 o  382.184  162.743   0.6614   3.4184  -2.1967   4.1114   7.0623   6.1528  351.115  161.729  628.930  233.903 -277.8149 284.3709 
1 1 1  -41    3   12 o  330.237  146.824  -0.6050   3.0475  -4.6527   4.0620   4.6070   4.6093  309.428  148.025  536.340  201.860 -226.9121 250.3178 
1 1 1  -41    3   14 o  1101.61  116.401   20.228   3.9543   21.263   5.5866   19.189   5.5980  1095.72  168.202  1031.75  179.814 63.97559 246.2214 
1 1 1  -41    3   16 o  392.116  159.170   1.5512   3.0521   5.4179   4.3259  -2.2814   4.3068  556.924  197.704  357.401  164.945 199.5232 257.4760 
1 1 1  -41    3   18 o  743.128  162.916   9.9389   3.6864   5.7850   6.0830   12.350   4.6344  586.805  229.040  816.017  185.567 -229.2114 294.7786 
1 1 1  -41    3   20 o  1071.10  117.010   19.279   3.8605   15.789   5.3036   23.213   5.6302  918.663  190.620  1143.12  161.815 -224.4586 250.0399 
1 1 1  -41    3   22 o  496.229  166.873   4.3324   3.0651   5.0068   4.3866   3.6891   4.2846  535.912  197.856  492.249  192.198 43.66284 275.8388 
1 1 1  -41    3   24 o  1100.24  110.071   20.332   3.7412   16.562   5.4619   23.664   5.1349  929.160  193.995  1160.79  144.393 -231.6342 241.8338 
1 1 1  -41    3   26 o  376.508  157.888   1.1944   3.1373   2.7557   4.3039  -0.5758   4.5828  458.419  187.883  390.850  176.401 67.56879 257.7151 
1 1 1  -41    3   28 o  1001.42  125.352   17.445   3.8445   24.402   5.6092   11.280   5.2797  1153.09  159.637  730.043  215.878 423.0453 268.4901 
1 1 1  -41    3   30 o  766.008  148.012   10.812   3.4217   5.0280   5.0364   15.770   4.6631  521.374  206.892  908.146  170.239 -386.7725 267.9280 
1 1 1  -41    3   32 o  251.516  122.059  -4.0706   3.0085  -3.7162   4.3145  -4.4059   4.1973  319.196  152.660  305.174  147.123 14.02213 212.0149 
1 1 1  -41    3   34 o  288.051  135.244  -1.9733   3.0989  -8.9743   4.5895   3.8926   4.2011  271.719  135.353  464.468  187.369 -192.7496 231.1442 
1 1 1  -41    3   36 o  481.840  187.387   4.8173   4.0604   7.8943   5.0016  -1.1306   6.9538  570.875  211.170  415.555  197.344 155.3204 289.0283 
1 1 1  -41    3   38 f  403.632  179.153   2.0063   4.5187   2.0063   4.5187   0.0000   0.0000  403.632  179.153  ?   ?  0.000000 179.1526 
1 1 1  -41    3   40 o  545.797  206.784   8.2356   4.8563   6.1034   7.4082   9.8422   6.4307  477.223  218.806  551.100  228.154 -73.87744 316.1178 
1 1 1  -41    4    1 o  327.328  146.055  -0.6845   3.0442  -2.6785   4.3206   1.2812   4.2898  351.304  163.204  431.613  182.997 -80.30869 245.2001 
1 1 1  -41    4    3 f  339.004  148.483  -0.1733   3.0087   3.7310   4.1635  -4.4404   4.3527  498.794  190.868  326.348  155.316 172.4467 246.0764 
1 1 1  -41    4    5 o  633.561  177.571   7.3089   3.6642   11.426   6.4976   5.3888   4.4371  757.166  242.345  559.546  200.058 197.6193 314.2520 
1 1 1  -41    4    7 o  485.085  173.770   3.8004   3.3491  -1.9002   4.6087   10.179   4.8753  379.055  173.349  734.543  204.454 -355.4879 268.0511 
1 1 1  -41    4    9 o  623.037  171.838   7.0095   3.4611   13.771   5.0124   0.8482   4.7849  865.888  190.081  441.181  190.284 424.7073 268.9586 
1 1 1  -41    4   11 o  352.947  155.300  -0.2807   3.3247   0.4783   4.0074  -1.9567   5.9552  402.693  173.911  430.728  197.007 -28.03525 262.7859 
1 1 1  -41    4   13 o  421.029  163.552   2.3077   3.0904   6.7225   4.2437  -2.6772   4.5094  606.527  196.036  360.931  167.347 245.5957 257.7500 
1 1 1  -41    4   15 o  399.487  156.373   1.9792   2.8416  -2.8805   4.2384   5.9474   3.8299  344.512  160.578  574.402  186.293 -229.8898 245.9482 
1 1 1  -41    4   17 o  535.630  165.205   5.1072   3.0468   6.0932   4.2878   4.1018   4.3300  580.106  197.360  512.262  194.975 67.84381 277.4276 
1 1 1  -41    4   19 o  455.912  166.023   3.3032   3.0731   5.3927   4.9297   1.9752   3.9301  559.857  209.140  435.618  179.154 124.2394 275.3829 
1 1 1  -41    4   21 o  731.504  156.805   9.6232   3.4837   11.114   4.8878   8.0836   4.9666  757.626  202.250  645.226  212.289 112.4005 293.2089 
1 1 1  -41    4   23 o  399.584  162.560   1.7536   3.1921   4.5301   4.8211  -0.4135   4.2594  525.586  204.247  385.859  172.425 139.7274 267.2961 
1 1 1  -41    4   25 o  660.497  159.240   8.0384   3.2549   10.815   4.6319   5.3294   4.5749  741.987  196.319  542.482  201.705 199.5054 281.4709 
1 1 1  -41    4   27 o  288.436  134.699  -2.0957   3.0050   0.1559   4.2387  -4.3709   4.2608  391.474  173.647  315.121  150.974 76.35260 230.1010 
1 1 1  -41    4   29 f  679.818  156.898   8.6581   3.2720   11.590   4.8360   6.1829   4.4436  750.561  201.525  558.356  200.144 192.2054 284.0249 
1 1 1  -41    4   31 o  801.105  148.602   11.879   3.5904   11.653   5.2654   12.077   4.9085  728.216  215.646  756.237  203.022 -28.02087 296.1775 
1 1 1  -41    4   33 o  555.111  175.464   6.2626   3.4143   4.5423   5.0469   7.7143   4.6363  496.196  203.421  591.866  205.083 -95.67026 288.8587 
1 1 1  -41    4   35 o  661.437  183.795   9.3393   3.9433   12.179   5.0228   4.7773   6.3664  727.389  209.278  500.821  217.739 226.5681 302.0061 
1 1 1  -41    4   37 o  513.680  205.798   6.1660   5.0302   6.1660   5.0302   0.0000   0.0000  513.680  205.798  ?   ?  0.000000 205.7975 
1 1 1  -41    4   39 o  806.209  199.367   15.433   5.0047   8.2489   7.1707   22.257   6.9884  525.131  229.636  890.196  243.622 -365.0657 334.7897 
1 1 1  -41    5    2 o  517.240  177.193   4.5924   3.4565   4.9309   4.8813   4.2521   4.8952  549.714  207.546  529.884  205.840 19.83002 292.3105 
1 1 1  -41    5    4 o  583.715  204.109   6.0480   4.5973   0.0000   0.0000   6.0480   4.5973  ?   ?   583.715  204.109 0.000000 204.1089 
1 1 1  -41    5    6 o  557.441  174.037   5.5251   3.3696   6.0061   4.8737   5.0845   4.6640  585.589  209.638  553.072  204.051 32.51660 292.5490 
1 1 1  -41    5    8 o  518.850  172.488   4.6416   3.2757   8.8487   4.6229   0.3990   4.6423  687.637  201.626  426.163  185.605 261.4738 274.0482 
1 1 1  -41    5   10 o  389.114  159.262   1.3681   3.0873   1.1692   4.7507   1.5135   4.0620  447.454  191.226  431.591  180.220 15.86343 262.7674 
1 1 1  -41    5   12 o  227.212  113.323  -7.9771   3.2593  -8.9840   4.4893  -6.8549   4.7395  281.162  138.977  314.773  152.859 -33.61060 206.5928 
1 1 1  -41    5   14 o  751.524  160.088   10.040   3.6518   7.0906   5.3525   12.609   4.9949  622.539  220.031  821.877  196.712 -199.3381 295.1432 
1 1 1  -41    5   16 o  927.773  127.027   14.587   3.5933   17.048   5.3257   12.531   4.8685  968.193  182.360  820.036  192.842 148.1563 265.4113 
1 1 1  -41    5   18 o  666.604  159.087   7.9830   3.2745   3.3200   4.6811   12.451   4.5820  496.001  198.595  821.784  182.789 -325.7834 269.9103 
1 1 1  -41    5   20 o  252.971  121.497  -3.5848   2.7975  -7.6035   4.0554   0.0637   3.8641  271.799  133.923  382.954  167.988 -111.1549 214.8383 
1 1 1  -41    5   22 o  276.433  129.093  -2.1272   2.7602  -5.8806   4.0239   1.2081   3.7932  288.539  140.288  406.999  172.292 -118.4599 222.1829 
1 1 1  -41    5   24 o  495.717  175.670   4.2868   3.4140   1.6481   5.0697   6.4763   4.6180  456.444  196.368  583.729  204.542 -127.2847 283.5452 
1 1 1  -41    5   26 o  497.662  169.561   4.4665   3.1650   0.8153   4.8611   7.1534   4.1700  428.659  188.218  604.943  194.200 -176.2837 270.4433 
1 1 1  -41    5   28 o  363.397  154.011   0.9623   3.0365  -0.5713   4.4029   2.3534   4.1933  381.450  172.462  441.149  183.566 -59.69925 251.8724 
1 1 1  -41    5   30 o  495.311  184.690   4.4979   3.8410   2.0529   6.9949   5.5535   4.5959  490.978  220.067  535.113  201.534 -44.13583 298.4048 
1 1 1  -41    5   32 o  580.824  174.610   6.7592   3.4329   8.6789   5.4207   5.4736   4.4358  619.577  221.166  524.143  197.859 95.43384 296.7530 
1 1 1  -41    5   34 o  652.451  184.537   8.9613   3.9387   5.7508   4.9837   14.303   6.4284  523.594  206.428  752.672  241.067 -229.0784 317.3732 
1 1 1  -41    5   36 o  389.471  178.617   0.1540   4.9409   0.1540   4.9409   0.0000   0.0000  389.471  178.617  ?   ?  0.000000 178.6166 
1 1 1  -41    5   38 o  524.781  187.329   6.3515   3.8889   3.7748   4.9192   10.645   6.3504  448.524  193.195  602.540  234.341 -154.0160 303.7106 
1 1 1  -41    5   40 o  385.396  167.605   2.2313   3.7744   0.3135   6.4368   3.2363   4.6595  398.302  189.361  420.174  184.389 -21.87204 264.3039 
1 1 1  -41    6    1 o  219.594  109.168  -6.7737   2.9238  -5.6710   3.7795  -8.4172   4.6140  280.946  136.448  291.964  143.663 -11.01807 198.1345 
1 1 1  -41    6    3 o  503.589  183.527   4.0959   3.7563   0.2563   6.3134   6.1998   4.6734  478.774  212.169  589.527  205.811 -110.7529 295.5903 
1 1 1  -41    6    5 o  447.310  177.992   2.4387   3.7371   15.191   6.8044  -3.0694   4.4719  873.380  240.964  353.352  164.781 520.0278 291.9179 
1 1 1  -41    6    7 o  389.053  159.281   1.3588   3.0891  -0.6635   4.2582   3.6054   4.4881  388.029  172.969  504.316  196.766 -116.2864 261.9825 
1 1 1  -41    6    9 o  228.685  112.496  -5.4857   2.8227  -7.3054   4.1960  -3.9814   3.8150  284.026  139.200  306.959  145.889 -22.93356 201.6443 
1 1 1  -41    6   11 o  430.964  163.245   2.6114   3.0262   4.9704   4.6349   0.8585   3.9953  549.396  203.271  412.021  175.705 137.3756 268.6843 
1 1 1  -41    6   13 o  725.252  154.089   9.2759   3.3913   11.966   4.9880   6.9635   4.6247  799.279  199.835  616.567  204.948 182.7125 286.2476 
1 1 1  -41    6   15 o  532.893  171.782   4.9982   3.2602   7.5776   4.5130   2.1828   4.7149  637.894  201.741  469.439  194.937 168.4546 280.5346 
1 1 1  -41    6   17 o  439.187  166.408   2.7856   3.1451   6.7521   4.2572  -1.9807   4.6667  605.293  196.419  378.428  173.566 226.8647 262.1179 
1 1 1  -41    6   19 o  695.912  158.889   8.6972   3.3862   13.152   4.9973   4.9152   4.6044  836.138  194.533  541.304  202.138 294.8334 280.5406 
1 1 1  -41    6   21 o  345.397  150.574   0.0555   3.0619  -0.5414   4.4479   0.5931   4.2213  393.343  175.953  409.047  177.570 -15.70447 249.9811 
1 1 1  -41    6   23 f  587.105  166.498   6.3512   3.2018   2.0575   4.5705   10.489   4.4868  453.712  190.432  739.377  192.070 -285.6645 270.4726 
1 1 1  -41    6   25 o  576.011  170.786   6.2008   3.3010   10.834   4.9641   2.5281   4.4199  735.876  206.835  458.307  189.396 277.5694 280.4488 
1 1 1  -41    6   27 o  623.655  174.068   7.4315   3.5287   9.7529   5.3669   5.6637   4.6835  682.032  220.458  549.867  204.156 132.1642 300.4685 
1 1 1  -41    6   29 o  252.894  124.429  -6.1123   3.4591  -0.5902   6.4631  -8.3291   4.0950  443.517  203.729  261.824  129.997 181.6938 241.6703 
1 1 1  -41    6   31 o  828.564  171.588   13.265   4.3052   13.405   5.2696   12.984   7.4661  794.316  209.031  716.833  259.124 77.48340 332.9252 
1 1 1  -41    6   33 o  612.885  192.470   7.9609   4.1144   5.6859   5.1056   12.175   6.9488  528.801  208.793  687.576  249.766 -158.7750 325.5419 
1 1 1  -41    6   35 o  382.672  168.127   1.0848   3.8838   2.7226   4.6799  -2.5390   6.9614  439.395  188.840  407.783  194.718 31.61160 271.2487 
1 1 1  -41    6   37 o  854.225  176.997   15.299   4.5787   12.127   5.6246   21.531   7.8834  683.078  225.971  853.914  266.135 -170.8357 349.1290 
1 1 1  -41    6   39 o  350.389  155.736   0.8947   3.4260   1.5786   6.0484   0.5716   4.1573  417.545  193.673  363.939  165.738 53.60583 254.9084 
1 1 1  -41    7    2 o  577.888  186.627   5.9997   3.8468   16.012   6.2761  -0.0251   4.8684  910.882  222.056  425.042  187.435 485.8397 290.5871 
1 1 1  -41    7    4 o  427.783  163.052   2.5244   3.0309   2.8280   4.3315   2.2331   4.2425  477.115  191.034  457.560  186.920 19.55536 267.2701 
1 1 1  -41    7    6 f  413.571  171.035   1.4639   3.6083   6.0429   7.8541   0.2389   4.0624  626.718  254.981  399.887  173.895 226.8312 308.6339 
1 1 1  -41    7    8 o  527.261  172.079   4.8250   3.2657   4.4498   4.9744   5.1092   4.3294  540.290  208.161  550.342  197.525 -10.05212 286.9617 
1 1 1  -41    7   10 o  467.992  177.775   3.1662   3.5953   3.5572   7.1023   3.0315   4.1690  563.248  236.948  479.180  188.839 84.06827 302.9925 
1 1 1  -41    7   12 o  730.345  170.519   9.5947   3.8288   18.735   6.4064   4.5158   4.7754  998.313  211.519  537.798  204.742 460.5154 294.3805 
1 1 1  -41    7   14 o  588.780  170.375   6.2319   3.3204   10.626   4.8365   2.3143   4.5665  751.635  201.419  469.228  193.063 282.4062 279.0032 
1 1 1  -41    7   16 o  509.999  175.587   4.4324   3.3959   8.3636   5.1529   1.4141   4.5151  663.679  216.131  443.584  187.888 220.0944 286.3821 
1 1 1  -41    7   18 o  443.920  170.266   2.7886   3.3181  -2.9096   4.7496   8.2206   4.6373  366.329  170.493  658.805  203.918 -292.4765 265.8014 
1 1 1  -41    7   20 o  388.023  163.497   1.0149   3.3904  -0.7689   5.0032   2.5294   4.6102  411.687  185.197  471.406  193.974 -59.71915 268.1862 
1 1 1  -41    7   22 o  548.727  187.673   5.4480   3.8775   8.0496   4.7132   0.0000   6.8205  645.259  206.389  479.826  216.004 165.4326 298.7548 
1 1 1  -41    7   24 o  564.554  168.033   5.8798   3.1909   12.066   4.7594   0.8290   4.3006  791.781  193.588  414.442  179.570 377.3391 264.0488 
1 1 1  -41    7   26 o  692.198  158.714   8.8094   3.3667   3.1107   4.9011   13.901   4.6326  483.784  199.642  859.479  177.995 -375.6946 267.4680 
1 1 1  -41    7   28 o  609.629  173.086   7.1197   3.4582   4.7855   6.5215   8.0329   4.0789  544.390  227.925  637.179  190.055 -92.78870 296.7676 
1 1 1  -41    7   30 f  374.943  164.651   0.4499   3.7209   3.3065   4.5471  -5.3400   6.4736  471.138  193.110  382.816  184.104 88.32217 266.8062 
1 1 1  -41    7   32 o  375.899  169.134  -0.0815   4.1756  -3.3654   5.3843   4.8734   6.6138  365.651  173.647  528.097  225.658 -162.4460 284.7363 
1 1 1  -41    7   34 o  710.823  188.747   10.625   4.2716   14.190   5.2779   3.8558   7.2726  802.973  208.182  504.578  225.402 298.3950 306.8321 
1 1 1  -41    7   36 o  926.599  195.116   18.510   5.4822   26.043   7.5505   10.112   7.9726  1033.51  238.204  595.535  250.815 437.9736 345.9037 
1 1 1  -41    7   38 o  353.899  157.977   0.6703   3.5655  -3.8100   6.9889   2.2467   4.1456  381.095  185.194  404.893  175.868 -23.79803 255.3947 
1 1 1  -41    8    1 o  573.644  181.207   5.9028   3.6419   1.2547   5.0207   11.064   5.2907  457.935  196.168  760.293  213.472 -302.3574 289.9177 
1 1 1  -41    8    3 o  833.297  144.742   12.002   3.6397   13.163   5.5488   11.126   4.8219  832.462  212.230  772.367  198.346 60.09570 290.4871 
1 1 1  -41    8    5 o  437.033  162.892   2.7829   2.9872  -0.7416   4.3550   5.9148   4.1053  391.071  174.580  577.550  193.130 -186.4792 260.3406 
1 1 1  -41    8    7 f  305.531  143.752  -3.1469   3.5324  -0.8377   7.9184  -3.7206   3.9469  510.201  230.923  318.192  150.386 192.0096 275.5742 
1 1 1  -41    8    9 o  447.355  168.842   2.8637   3.2298   0.9497   4.7968   4.4511   4.3684  445.212  191.259  529.398  197.049 -84.18570 274.6054 
1 1 1  -41    8   11 o  755.326  173.331   10.265   4.0126  -1.3771   7.1838   15.544   4.8375  481.125  218.626  935.301  171.498 -454.1760 277.8654 
1 1 1  -41    8   13 o  586.980  173.863   6.1841   3.4223   10.800   4.7429   1.1706   4.9432  761.376  197.323  454.421  194.655 306.9553 277.1763 
1 1 1  -41    8   15 o  327.901  148.450  -1.2311   3.2748  -2.0774   4.6511  -0.3991   4.6118  377.613  173.222  407.578  180.943 -29.96506 250.4921 
1 1 1  -41    8   17 o  567.883  175.811   5.7992   3.4469   3.6500   5.2783   7.3971   4.5513  521.331  210.122  630.426  202.938 -109.0946 292.1217 
1 1 1  -41    8   19 o  621.644  164.517   6.9936   3.2523   8.6598   4.9915   5.7645   4.2872  671.734  212.135  567.783  197.186 103.9512 289.6270 
1 1 1  -41    8   21 o  543.679  172.992   5.3266   3.3146   7.3939   5.2338   3.9423   4.2829  624.293  217.809  503.559  193.372 120.7347 291.2619 
1 1 1  -41    8   23 o  1051.27  118.609   18.667   3.8361   20.783   5.8092   17.032   5.1083  1062.15  181.168  963.898  175.724 98.24719 252.3898 
1 1 1  -41    8   25 o  894.372  135.221   13.933   3.6687   9.4662   5.6456   17.198   4.8267  679.438  226.471  973.535  164.177 -294.0970 279.7195 
1 1 1  -41    8   27 o  1197.55  123.301   24.580   4.5575   31.096   8.5665   22.007   5.3824  1228.93  231.100  1100.80  160.904 128.1345 281.5981 
1 1 1  -41    8   29 o  354.543  158.900  -0.4029   3.6461   2.3429   4.7574  -4.3114   5.6760  455.290  192.856  371.111  176.824 84.17847 261.6483 
1 1 1  -41    8   31 o  639.997  184.724   8.2315   3.9077   9.2291   4.9329   6.5509   6.4028  656.241  211.277  569.805  230.805 86.43573 312.9044 
1 1 1  -41    8   33 o  241.126  120.607  -8.8335   3.8101  -9.9952   4.9764  -7.1878   5.9229  281.872  140.496  340.374  166.511 -58.50122 217.8645 
1 1 1  -41    8   35 o  771.081  170.324   11.917   4.0026   7.2669   7.1973   13.999   4.8161  557.895  236.813  812.556  192.285 -254.6614 305.0472 
1 1 1  -41    8   37 o  364.992  161.935   0.8016   3.6881  -5.1163   6.3480   3.8170   4.5314  359.661  175.168  455.616  190.309 -95.95490 258.6526 
1 1 1  -41    9    2 o  652.102  169.178   7.6477   3.4840   8.0410   5.3792   7.3634   4.5727  656.459  221.066  632.688  203.387 23.77161 300.3939 
1 1 1  -41    9    4 o  358.208  156.583  -0.1218   3.3313   1.9987   4.6824  -2.2952   4.7404  466.648  194.060  379.096  174.262 87.55154 260.8192 
1 1 1  -41    9    6 o  281.784  132.295  -2.6515   2.9646  -4.5790   4.6152  -1.2974   3.8682  338.548  160.773  357.965  161.766 -19.41678 228.0704 
1 1 1  -41    9    8 o  553.734  197.163   5.1753   4.3053   9.3317   8.6390   3.8019   4.9660  708.524  273.945  523.184  206.126 185.3400 342.8321 
1 1 1  -41    9   10 o  567.427  178.425   5.7052   3.5346   2.1402   5.0849   9.0383   4.9167  483.045  201.666  694.869  208.983 -211.8240 290.4190 
1 1 1  -41    9   12 f  628.601  176.695   7.1360   3.6226   5.7111   5.2218   8.4582   5.0299  582.595  215.717  672.450  213.014 -89.85559 303.1643 
1 1 1  -41    9   14 o  371.550  165.254  -0.6156   3.8640   2.6655   4.7890  -6.7362   6.5408  486.194  198.602  390.784  187.180 95.40945 272.9087 
1 1 1  -41    9   16 o  416.696  163.843   2.1405   3.1317   6.8277   4.4393  -2.5029   4.4185  611.216  200.686  359.997  166.469 251.2190 260.7427 
1 1 1  -41    9   18 o  649.252  168.832   7.6358   3.4645   2.5793   5.1907   11.698   4.6524  492.251  204.482  794.085  189.707 -301.8342 278.9295 
1 1 1  -41    9   20 o  523.278  170.976   4.8302   3.2237  -2.0471   4.6932   10.973   4.4356  377.642  173.519  768.101  186.330 -390.4592 254.6129 
1 1 1  -41    9   22 o  293.607  136.612  -2.1569   3.0463  -5.4452   4.3704   0.9502   4.2484  311.658  150.219  419.008  179.997 -107.3503 234.4455 
1 1 1  -41    9   24 o  410.099  163.747   2.0655   3.1729   1.0208   4.5853   3.0253   4.3950  430.073  185.881  475.302  191.678 -45.22925 267.0060 
1 1 1  -41    9   26 o  354.120  160.873  -1.1308   3.8865   5.9530   4.7348 -15.7603   6.8043  565.680  206.067  317.675  159.230 248.0044 260.4190 
1 1 1  -41    9   28 o  417.405  178.969   1.3209   4.1857   3.9833   5.3291  -2.9667   6.7628  511.174  209.235  425.580  199.809 85.59366 289.3142 
1 1 1  -41    9   30 o  450.653  189.235   2.4633   4.5165   6.2246   6.0753  -2.1840   6.7530  567.357  226.570  429.632  201.055 137.7247 302.9144 
1 1 1  -41    9   32 o  475.532  199.544   3.3148   5.0165   4.4128   7.1007   2.2206   7.0880  528.357  229.833  491.530  220.835 36.82733 318.7338 
1 1 1  -41    9   34 o  375.464  169.732  -0.0726   4.2629   2.5514   6.1530  -2.4946   5.9115  470.683  208.978  388.993  183.909 81.69012 278.3777 
1 1 1  -41   10    1 o  298.585  139.714  -2.6672   3.2595  -5.6989   6.2861  -1.5523   3.8120  393.285  187.021  349.497  158.985 43.78824 245.4649 
1 1 1  -41   10    3 o  414.973  167.516   1.7943   3.3604   1.4338   5.3280   2.0325   4.3303  474.354  202.612  456.419  187.923 17.93530 276.3451 
1 1 1  -41   10    5 o  441.981  175.273   2.3383   3.6125   2.6581   5.4930   2.0946   4.7954  507.804  210.599  473.658  196.632 34.14575 288.1250 
1 1 1  -41   10    7 o  559.830  168.465   5.5259   3.1944   4.2692   5.0027   6.3911   4.1507  538.150  208.356  598.042  193.936 -59.89130 284.6464 
1 1 1  -41   10    9 o  741.465  180.319   9.9400   4.1462   1.1386   8.6104   12.597   4.7307  559.053  247.759  833.631  185.961 -274.5783 309.7840 
1 1 1  -41   10   11 o  410.956  163.023   1.9301   3.1261   3.1770   4.6679   0.9162   4.2095  498.689  198.772  423.605  180.493 75.08459 268.4921 
1 1 1  -41   10   13 o  262.835  125.385  -3.3884   2.8721  -1.3677   4.5745  -4.7034   3.6902  388.768  175.779  290.221  139.429 98.54697 224.3625 
1 1 1  -41   10   15 f  745.531  187.263   10.200   4.3657   14.098   5.3755   2.6481   7.4826  870.557  201.229  554.540  238.567 316.0165 312.1013 
1 1 1  -41   10   17 o  324.954  144.745  -0.6647   2.9760  -1.1998   4.5190  -0.2548   3.9546  388.032  175.145  383.136  168.945 4.896271 243.3475 
1 1 1  -41   10   19 o  467.453  170.566   3.4412   3.2458  -0.5082   4.6781   7.1074   4.5073  406.823  181.325  619.531  202.158 -212.7081 271.5632 
1 1 1  -41   10   21 o  360.837  154.913   0.4235   3.1433   2.7887   4.6322  -1.5952   4.2794  480.065  195.623  367.685  167.719 112.3801 257.6784 
1 1 1  -41   10   23 o  617.818  183.443   7.1255   3.8064   10.022   6.3984   5.5386   4.7356  701.325  241.043  560.201  205.777 141.1239 316.9320 
1 1 1  -41   10   25 o  538.657  197.575   5.1191   4.3633   3.6851   6.1984   6.5278   6.1434  530.130  222.099  596.954  230.955 -66.82391 320.4187 
1 1 1  -41   10   27 o  563.163  206.914   5.9070   4.7885   4.0414   6.4324   8.2260   7.1716  536.022  225.495  636.708  248.643 -100.6868 335.6657 
1 1 1  -41   10   29 o  813.817  213.832   13.663   5.5200   23.897   7.9527   4.1484   7.6679  1046.53  246.712  548.922  238.807 497.6058 343.3595 
1 1 1  -41   10   31 f  567.477  184.183   6.3497   3.7433  -5.4066   6.5989   11.927   4.5453  386.180  185.759  773.110  189.282 -386.9301 265.2054 
1 1 1  -41   10   33 o  419.154  178.667   1.9079   4.1277  -0.9651   6.5783   3.7735   5.3011  431.663  200.816  488.187  205.005 -56.52396 286.9742 
1 1 1  -41   11    2 o  344.925  153.366  -0.6607   3.3257   1.1097   6.1085  -1.4065   3.9648  492.084  213.611  360.531  163.271 131.5534 268.8626 
1 1 1  -41   11    4 o  525.541  180.439   4.6561   3.5850   6.6876   5.6559   3.2918   4.6350  619.392  225.283  501.678  198.665 117.7141 300.3673 
1 1 1  -41   11    6 o  340.374  150.550  -0.5231   3.1641  -6.2021   5.6275   2.1022   3.8261  363.243  173.891  442.648  178.727 -79.40488 249.3617 
1 1 1  -41   11    8 o  401.963  169.643   0.9111   3.6595   14.851   6.5796  -5.3326   4.4034  876.206  234.981  319.066  153.027 557.1399 280.4163 
1 1 1  -41   11   10 f  867.626  145.493   12.924   3.8127   14.725   6.5754   12.012   4.6798  871.817  235.371  813.624  187.536 58.19263 300.9471 
1 1 1  -41   11   12 f  396.261  166.661   0.9461   3.5124   3.2076   5.8121  -0.3550   4.4084  529.729  217.864  402.836  177.965 126.8932 281.3113 
1 1 1  -41   11   14 o  563.780  185.676   5.5773   3.7990   8.2420   6.8105   4.3737   4.5773  671.060  246.733  531.918  200.942 139.1427 318.2057 
1 1 1  -41   11   16 o  571.874  207.208   5.5636   4.7781   3.8636   6.1586   8.1343   7.5733  550.340  225.059  671.314  257.293 -120.9739 341.8350 
1 1 1  -41   11   18 o  728.977  165.671   9.5117   3.6958   9.0073   6.6368   9.7385   4.4495  685.791  244.730  724.070  192.816 -38.27911 311.5618 
1 1 1  -41   11   20 o  451.753  176.465   2.7431   3.6130  -7.5863   7.0139   6.4740   4.2153  396.398  190.877  595.569  195.558 -199.1710 273.2708 
1 1 1  -41   11   22 o  413.034  181.441   0.1737   4.5219   3.6849   5.9421  -4.6574   6.9700  533.130  219.895  424.626  200.432 108.5036 297.5345 
1 1 1  -41   11   24 o  477.018  198.452   2.5166   4.8995   8.6927   6.5161  -5.5171   7.4317  661.839  241.643  426.500  202.971 235.3389 315.5769 
1 1 1  -41   11   26 o  416.499  184.008   0.2469   4.7133   6.9056   6.1951  -8.9052   7.2629  605.768  232.579  384.863  187.425 220.9050 298.6994 
1 1 1  -41   11   28 f  276.555  137.539  -9.8339   4.6603 -19.9939   6.6947  -0.2816   6.4913  289.786  146.717  457.689  207.917 -167.9030 254.4707 
1 1 1  -41   11   30 o  715.613  174.677   9.8226   3.8798  -2.8884   6.7993   15.960   4.7245  424.546  199.650  922.941  169.735 -498.3957 262.0501 
1 1 1  -41   11   32 o  718.668  199.546   10.699   4.6500   4.8693   7.0446   15.200   6.1901  540.320  231.938  826.151  230.531 -285.8314 327.0164 
1 1 1  -41   12    1 o  522.729  185.489   4.5095   3.8075   5.0370   6.7104   4.2590   4.6239  590.393  237.284  529.545  201.499 60.84717 311.2963 
1 1 1  -41   12    3 o  497.904  179.986   3.9243   3.6021   2.2672   5.8910   4.9139   4.5523  511.165  215.458  550.177  201.806 -39.01190 295.2080 
1 1 1  -41   12    5 f  499.020  179.671   3.9494   3.5848  -6.8751   6.8185   8.0842   4.2142  402.343  192.284  666.523  191.673 -264.1803 271.4991 
1 1 1  -41   12    7 o  363.009  160.354  -0.4844   3.5782   1.4462   6.4809  -1.3309   4.2916  512.362  221.217  378.635  170.813 133.7267 279.4890 
1 1 1  -41   12    9 o  285.290  134.054  -2.7965   3.0548   0.2919   5.3172  -4.3181   3.7322  452.583  197.832  298.989  142.715 153.5941 243.9363 
1 1 1  -41   12   11 o  390.815  166.405   0.6285   3.5735  -5.8891   5.9472   4.3113   4.4705  380.444  181.196  529.918  198.924 -149.4736 269.0771 
1 1 1  -41   12   13 o  820.094  160.571   11.783   3.9758   15.458   7.4195   10.302   4.7089  880.253  254.671  747.532  198.020 132.7211 322.5977 
1 1 1  -41   12   15 o  433.800  173.947   2.0958   3.5971   6.3061   5.9582  -0.3188   4.5122  611.204  229.608  407.634  180.068 203.5702 291.7950 
1 1 1  -41   12   17 o  512.252  199.220   3.7527   4.5894  -5.7711   6.3546   14.136   6.6353  395.414  188.035  846.495  239.553 -451.0812 304.5368 
1 1 1  -41   12   19 f  384.559  164.120   0.6285   3.4906   7.6739   6.0845  -2.8278   4.2616  645.893  233.855  347.390  161.618 298.5036 284.2688 
1 1 1  -41   12   21 o  508.544  200.949   3.6523   4.7326   1.5511   6.1410   6.7253   7.4267  495.864  214.714  629.524  250.784 -133.6600 330.1440 
1 1 1  -41   12   23 f  733.137  211.493   10.448   5.1235   1.2541   6.7970   22.546   7.7971  504.254  221.959  1058.36  240.713 -554.1077 327.4274 
1 1 1  -41   12   25 o  403.109  180.910  -0.5958   4.7429  -6.3392   6.3201   6.8089   7.1761  380.284  182.637  616.799  246.266 -236.5144 306.5990 
1 1 1  -41   12   27 o  386.835  166.353   0.7454   3.6356  -7.0518   7.0561   3.5635   4.2420  394.717  190.405  485.202  190.718 -90.48572 269.4943 
1 1 1  -41   12   29 o  636.278  187.865   7.8904   4.0011   12.648   6.5977   5.1231   5.0319  756.435  244.426  538.507  208.833 217.9282 321.4891 
1 1 1  -41   13    4 o  389.350  164.815   0.7323   3.4709   0.9896   5.1565   0.5191   4.6932  461.793  198.338  434.612  187.949 27.18057 273.2448 
1 1 1  -41   13    6 o  436.270  172.618   2.2281   3.4965   4.3575   5.3742   0.6653   4.6042  551.485  215.274  434.896  187.117 116.5892 285.2291 
1 1 1  -41   13    8 o  470.859  171.299   3.3765   3.2703  -0.7385   5.0771   6.2945   4.2754  424.049  188.959  597.889  196.976 -173.8402 272.9564 
1 1 1  -41   13   10 o  576.425  205.767   5.5790   4.6922   0.0000   0.0000   5.5790   4.6922  ?   ?   576.425  205.767 0.000000 205.7670 
1 1 1  -41   13   12 o  717.338  185.344   9.3087   4.1929   14.742   7.4589   6.7985   5.0697  861.514  257.017  620.419  214.484 241.0956 334.7552 
1 1 1  -41   13   14 o  619.413  179.146   6.8718   3.6719   8.8134   6.2816   5.8639   4.5256  688.495  238.707  582.757  202.582 105.7380 313.0825 
1 1 1  -41   13   16 o  379.718  165.310   0.0412   3.6794   2.4562   6.0451  -1.3800   4.6373  518.822  218.449  392.023  177.141 126.7987 281.2451 
1 1 1  -41   13   18 o  1087.36  172.308   20.883   5.6711   25.434   7.8534   15.924   8.1980  1159.26  224.463  875.403  271.156 283.8583 352.0074 
1 1 1  -41   13   20 o  277.385  136.912  -8.4417   4.3017  -7.8361   5.4664  -9.4268   6.9715  336.263  163.495  378.904  184.322 -42.64099 246.3846 
1 1 1  -41   13   22 o  482.433  195.565   2.8424   4.6007   0.0000   6.3204   6.0458   6.7099  472.453  210.657  604.880  239.191 -132.4271 318.7295 
1 1 1  -41   13   24 o  631.143  188.147   7.4457   3.9982   8.0142   7.5661   7.2254   4.7095  653.284  255.315  619.375  206.855 33.90991 328.5953 
1 1 1  -41   13   26 o  456.357  180.204   2.8786   3.8035   1.9465   6.3447   3.4014   4.7520  500.260  217.431  494.950  199.413 5.310120 295.0287 
1 1 1  -41   14    9 o  347.689  152.121  -0.2541   3.1504  -1.5791   5.1125   0.5571   4.0001  410.633  185.732  408.776  175.103 1.856812 255.2594 
1 1 1  -41   14   11 o  477.127  190.785   2.6607   4.3139   4.3267   10.089   2.2880   4.7722  644.486  277.132  481.258  197.611 163.2288 340.3714 
1 1 1  -41   14   13 o  435.678  174.293   2.0904   3.6022  -1.2151   5.5351   4.5190   4.7444  432.991  194.785  543.300  204.735 -110.3094 282.5911 
1 1 1  -41   14   15 o  481.718  193.865   2.6842   4.4858   3.3296   5.3552   1.1665   8.2123  523.031  211.353  553.100  243.697 -30.06879 322.5804 
1 1 1  -41   14   17 o  449.772  189.115   1.4792   4.5205   4.6179   5.4034  -5.8419   8.2523  556.661  216.255  460.462  217.574 96.19907 306.7649 
1 1 1  -41   14   19 o  453.939  189.619   1.7297   4.4990  -6.9897   5.3589   22.550   8.2808  341.816  165.145  1065.12  252.190 -723.2992 301.4509 
1 1 1  -41   14   21 o  354.603  165.772  -3.2646   4.5705  -4.3690   5.6512  -1.1762   7.7710  384.548  181.199  498.916  226.971 -114.3672 290.4289 
1 1 1  -40    0    2 o  252.035  172.243  -2.1604   4.2672  -2.1604   4.2672  -2.1604   4.2672  252.035  172.243  252.035  172.243 -0.000000 0.000000 
1 1 1  -40    0    4 o  927.777  220.129   16.475   5.5513   16.475   5.5513   16.475   5.5513  927.777  220.129  927.777  220.129 -0.000000 0.000000 
1 1 1  -40    0    6 f  328.539  201.251   1.8301   3.9648   1.8301   3.9648   1.8301   3.9648  328.539  201.251  328.539  201.251 -0.000000 0.000000 
1 1 1  -40    0    8 o  602.070  240.332   8.4047   4.3880   8.4047   4.3880   8.4047   4.3880  602.070  240.332  602.070  240.332 -0.000000 0.000000 
1 1 1  -40    0   10 o  712.550  253.336   11.227   5.1502   11.227   5.1502   11.227   5.1502  712.550  253.336  712.550  253.336 -0.000000 0.000000 
1 1 1  -40    0   12 o  280.865  182.579   0.0866   3.8560   0.0866   3.8560   0.0866   3.8560  280.865  182.579  280.865  182.579 -0.000000 0.000000 
1 1 1  -40    0   14 o  404.176  226.189   3.9445   4.2930   3.9445   4.2930   3.9445   4.2930  404.176  226.189  404.176  226.189 -0.000000 0.000000 
1 1 1  -40    0   16 o  544.148  241.385   7.2053   4.3425   7.2053   4.3425   7.2053   4.3425  544.148  241.385  544.148  241.385 -0.000000 0.000000 
1 1 1  -40    0   18 o  1468.19  146.188   35.956   6.5678   35.956   6.5678   35.956   6.5678  1468.19  146.188  1468.19  146.188 -0.000000 0.000000 
1 1 1  -40    0   20 f  475.061  238.288   5.7320   4.3475   5.7320   4.3475   5.7320   4.3475  475.061  238.288  475.061  238.288 -0.000000 0.000000 
1 1 1  -40    0   22 o  440.289  232.469   4.9090   4.2789   4.9090   4.2789   4.9090   4.2789  440.289  232.469  440.289  232.469 -0.000000 0.000000 
1 1 1  -40    0   24 o  388.798  224.907   3.4828   4.4463   3.4828   4.4463   3.4828   4.4463  388.798  224.907  388.798  224.907 -0.000000 0.000000 
1 1 1  -40    0   26 o  486.519  238.045   6.0162   4.2935   6.0162   4.2935   6.0162   4.2935  486.519  238.045  486.519  238.045 -0.000000 0.000000 
1 1 1  -40    0   28 o  556.329  254.793   7.7931   4.8442   7.7931   4.8442   7.7931   4.8442  556.329  254.793  556.329  254.793 -0.000000 0.000000 
1 1 1  -40    0   30 o  339.496  209.834   1.9120   4.3992   1.9120   4.3992   1.9120   4.3992  339.496  209.834  339.496  209.834 -0.000000 0.000000 
1 1 1  -40    0   32 f  677.464  233.751   10.033   4.4658   10.033   4.4658   10.033   4.4658  677.464  233.751  677.464  233.751 -0.000000 0.000000 
1 1 1  -40    0   34 o  658.734  242.646   9.8419   4.6323   9.8419   4.6323   9.8419   4.6323  658.734  242.646  658.734  242.646 -0.000000 0.000000 
1 1 1  -40    0   36 o  408.709  233.473   4.1421   4.7009   4.1421   4.7009   4.1421   4.7009  408.709  233.473  408.709  233.473 -0.000000 0.000000 
1 1 1  -40    0   38 o  426.065  228.488   4.7106   4.1893   4.7106   4.1893   4.7106   4.1893  426.065  228.488  426.065  228.488 -0.000000 0.000000 
1 1 1  -40    0   40 o  482.379  273.253   6.3512   6.3683   6.3512   6.3683   6.3512   6.3683  482.379  273.253  482.379  273.253 -0.000000 0.000000 
1 1 1  -40    0   42 o  1533.05  145.886   39.735   6.8574   39.735   6.8574   39.735   6.8574  1533.05  145.886  1533.05  145.886 -0.000000 0.000000 
1 1 1  -40    0   44 o  439.618  268.457   4.6937   7.0056   4.6937   7.0056   4.6937   7.0056  439.618  268.457  439.618  268.457 -0.000000 0.000000 
1 1 1  -40    1    1 o  512.100  180.908   4.3699   3.6179   11.347   6.4483   1.1644   4.3706  756.651  241.345  433.743  184.342 322.9078 303.6929 
1 1 1  -40    1    3 o  597.872  168.415   6.3930   3.2874   4.4657   4.5073   8.5835   4.8053  532.303  199.756  677.811  207.212 -145.5082 287.8181 
1 1 1  -40    1    5 o  563.986  164.283   5.6238   3.0780   3.6272   4.1930   7.9574   4.5329  499.748  191.468  657.091  201.316 -157.3438 277.8274 
1 1 1  -40    1    7 o  536.680  184.190   4.8965   3.7354  -1.2108   6.2070   8.3644   4.6772  454.568  205.213  672.582  204.178 -218.0140 289.4841 
1 1 1  -40    1    9 o  638.232  169.668   7.2803   3.4491   5.3522   5.6736   8.4107   4.3440  581.311  222.721  677.108  194.569 -95.79681 295.7391 
1 1 1  -40    1   11 o  347.785  148.685   0.3224   2.8739   1.1506   3.8879  -0.6753   4.2673  417.340  175.426  389.854  173.514 27.48627 246.7414 
1 1 1  -40    1   13 o  677.954  156.650   8.1033   3.2586  10.0000   4.4665   5.9450   4.7647  737.828  191.620  585.894  207.542 151.9340 282.4743 
1 1 1  -40    1   15 o  720.721  156.177   9.1495   3.4227   11.911   5.0753   6.8460   4.6355  798.578  202.635  614.913  205.225 183.6650 288.4066 
1 1 1  -40    1   17 o  356.682  152.559   0.4017   3.0282  -2.6990   4.6149   2.7463   4.0130  365.889  169.522  465.395  184.678 -99.50616 250.6868 
1 1 1  -40    1   19 o  808.692  145.669   11.384   3.5530   15.412   5.3381   8.1795   4.7606  912.754  192.818  658.479  207.073 254.2752 282.9452 
1 1 1  -40    1   21 o  379.616  155.820   1.3079   2.9659  -0.1891   4.3369   2.6230   4.0650  398.077  176.156  459.352  184.659 -61.27509 255.2057 
1 1 1  -40    1   23 o  347.117  148.370   0.4730   2.8607   3.2734   4.0609  -2.2858   4.0307  476.221  186.789  341.985  158.440 134.2358 244.9356 
1 1 1  -40    1   25 o  1230.13  105.953   25.210   4.0413   25.580   5.6313   24.817   5.8032  1201.62  153.147  1175.66  161.939 25.96155 222.8861 
1 1 1  -40    1   27 o  825.436  133.531   11.945   3.3334   15.837   5.0724   8.9861   4.4225  912.649  183.854  673.480  197.133 239.1697 269.5620 
1 1 1  -40    1   29 o  709.208  148.503   9.1932   3.1921   1.6988   4.6098   16.097   4.4244  436.002  187.403  937.615  156.196 -501.6125 243.9611 
1 1 1  -40    1   31 o  245.470  118.952  -3.8895   2.8305 -11.7880   4.2479   2.4179   3.7960  240.047  121.021  427.089  175.909 -187.0421 213.5183 
1 1 1  -40    1   33 o  627.659  167.034   7.7915   3.3406   2.9905   4.8643   12.077   4.5957  458.425  194.643  760.750  192.708 -302.3252 273.9017 
1 1 1  -40    1   35 o  302.726  137.306  -0.5667   2.8168  -0.9574   3.8423  -0.1129   4.1415  339.053  156.238  365.866  166.155 -26.81360 228.0736 
1 1 1  -40    1   37 o  390.108  157.565   2.4281   2.9748   1.5420   4.3494   3.2070   4.0777  398.177  176.295  432.814  180.635 -34.63733 252.4064 
1 1 1  -40    1   39 o  573.167  187.922   7.7498   3.8931   5.0184   4.6451   14.197   7.1368  472.438  194.589  658.154  250.360 -185.7162 317.0881 
1 1 1  -40    1   41 o  551.707  176.587   7.2312   3.4498   2.1383   4.7367   12.985   5.0345  394.723  178.634  691.359  212.220 -296.6356 277.3941 
1 1 1  -40    1   43 o  974.490  150.612   20.281   4.4475   22.494   5.5795   16.426   7.3656  945.838  194.876  615.821  248.213 330.0170 315.5729 
1 1 1  -40    2    2 o  593.707  190.605   6.3504   4.0170   0.4972   7.4487   8.7508   4.7701  516.759  229.659  683.467  205.907 -166.7080 308.4489 
1 1 1  -40    2    4 o  1253.52  104.265   25.744   4.0554   26.227   5.8533   25.299   5.6239  1233.56  154.958  1213.86  151.243 19.69678 216.5327 
1 1 1  -40    2    6 o  365.641  160.404  -0.2224   3.5235 -12.8673   5.6822   7.6778   4.4913  302.470  150.660  647.102  200.746 -344.6321 250.9933 
1 1 1  -40    2    8 o  910.749  147.241   14.260   4.0557   18.489   5.0140   6.2569   6.8978  1031.34  160.478  622.835  243.678 408.5070 291.7742 
1 1 1  -40    2   10 o  661.257  157.233   7.7105   3.2080   5.4422   4.4864   10.084   4.5889  566.381  201.308  740.002  195.220 -173.6205 280.4204 
1 1 1  -40    2   12 o  406.723  159.265   1.9986   2.9485   0.7182   4.0181   3.4926   4.3402  411.168  175.796  499.675  193.900 -88.50769 261.7274 
1 1 1  -40    2   14 o  1104.49  116.662   20.242   3.9736   14.730   5.7260   25.363   5.5188  886.393  209.600  1218.04  147.723 -331.6431 256.4257 
1 1 1  -40    2   16 o  538.605  170.612   5.0907   3.2268   4.5110   4.7567   5.5848   4.3917  537.868  204.443  567.550  199.435 -29.68231 285.6070 
1 1 1  -40    2   18 o  1342.51  103.656   29.581   4.3237   27.806   6.3281   31.135   5.9213  1259.21  164.419  1351.05  142.098 -91.84741 217.3144 
1 1 1  -40    2   20 o  863.689  132.068   12.760   3.4582   11.542   4.9756   13.898   4.8098  779.313  202.174  871.148  182.185 -91.83502 272.1498 
1 1 1  -40    2   22 o  499.720  165.689   4.3610   3.0233   7.0021   4.4782   2.1490   4.0983  610.738  201.612  445.504  183.051 165.2341 272.3145 
1 1 1  -40    2   24 f  397.759  159.024   1.8836   2.9967   3.4756   4.4100   0.5179   4.0846  488.760  193.710  400.515  174.269 88.24493 260.5627 
1 1 1  -40    2   26 o  388.785  156.439   1.7690   2.9205   3.1374   4.1630   0.4429   4.0981  469.165  187.483  396.479  173.483 72.68613 255.4336 
1 1 1  -40    2   28 o  1043.79  118.777   18.658   3.8129   17.677   5.2702   19.736   5.5232  964.431  181.170  1022.22  179.085 -57.78400 254.7429 
1 1 1  -40    2   30 o  513.238  169.978   4.9738   3.1822   6.8896   4.6401   3.2728   4.3723  581.903  204.953  467.318  190.200 114.5855 279.6101 
1 1 1  -40    2   32 o  490.806  167.269   4.5796   3.0800   4.3939   4.3545   4.7656   4.3571  492.340  193.324  503.717  194.608 -11.37711 274.3106 
1 1 1  -40    2   34 o  670.984  160.211   8.8071   3.3196   13.520   4.7327   4.2430   4.6574  803.819  190.877  482.518  196.335 321.3006 273.8277 
1 1 1  -40    2   36 o  922.303  140.049   15.950   3.9174   12.182   5.8543   19.005   5.2715  689.738  230.629  955.953  182.772 -266.2149 294.2708 
1 1 1  -40    2   38 f  815.326  170.850   13.895   4.2222   15.970   5.3484   10.463   6.8784  822.520  207.637  592.411  239.482 230.1099 316.9613 
1 1 1  -40    2   40 o  862.934  137.886   14.553   3.6003   12.760   5.1173   16.310   5.0664  693.791  214.122  827.635  198.131 -133.8432 291.7264 
1 1 1  -40    2   42 o  900.803  152.227   17.084   4.1408   16.625   5.1176   17.953   7.0464  802.468  203.402  697.506  251.797 104.9612 323.6884 
1 1 1  -40    3    1 o  491.908  171.830   4.0047   3.2578   0.4573   4.7595   7.1320   4.4687  431.789  187.996  623.342  201.134 -191.5528 275.3132 
1 1 1  -40    3    3 o  380.429  163.058   0.4727   3.4724  -5.0105   6.4527   2.7078   4.1198  408.118  192.704  468.521  186.740 -60.40326 268.3409 
1 1 1  -40    3    5 o  1084.60  136.861   19.916   4.5445   25.146   7.7166   17.138   5.6231  1157.22  221.018  971.389  191.677 185.8329 292.5555 
1 1 1  -40    3    7 o  432.717  163.225   2.6228   3.0174   1.9057   4.6135   3.1589   3.9888  463.301  192.644  480.090  185.999 -16.78885 267.7825 
1 1 1  -40    3    9 f  492.688  177.607   3.8509   3.5040   2.8753   4.3766   5.5927   5.8479  482.497  192.422  590.654  226.161 -108.1575 296.9430 
1 1 1  -40    3   11 o  445.148  162.091   2.9963   2.9291   7.0091   4.0334  -1.4818   4.2608  622.493  189.746  373.272  169.129 249.2216 254.1811 
1 1 1  -40    3   13 o  525.833  171.983   4.7655   3.2614   8.5190   4.5113   0.6558   4.7206  679.037  199.199  436.701  188.674 242.3361 274.3686 
1 1 1  -40    3   15 o  581.861  171.195   6.0434   3.3277   3.6149   4.7780   8.3309   4.6372  512.648  202.120  669.602  203.310 -156.9540 286.6841 
1 1 1  -40    3   17 o  762.237  141.575   10.051   3.2547   16.954   5.0074   5.0015   4.2827  977.373  169.780  544.927  196.364 432.4465 259.5843 
1 1 1  -40    3   19 o  691.845  154.037   8.4863   3.2512   8.4661   4.6945   8.5050   4.5070  669.494  204.833  672.619  199.589 -3.125732 285.9938 
1 1 1  -40    3   21 o  411.706  159.057   2.2744   2.9105   0.6925   4.3259   3.5828   3.9342  417.370  180.468  486.123  185.652 -68.75339 258.9117 
1 1 1  -40    3   23 o  326.251  144.491  -0.3952   2.9237  -1.5818   4.3999   0.5430   3.9124  371.203  169.611  395.653  171.352 -24.45004 241.1001 
1 1 1  -40    3   25 o  377.320  153.798   1.4662   2.8642   4.1821   4.2299  -0.8334   3.8922  504.999  192.588  361.496  162.914 143.5031 252.2518 
1 1 1  -40    3   27 o  938.631  128.128   15.260   3.6674   18.520   5.0598   11.652   5.3233  1004.36  166.737  753.694  215.011 250.6688 272.0864 
1 1 1  -40    3   29 o  567.429  170.132   6.1438   3.2623   11.033   4.7564   1.8012   4.4828  736.991  200.695  435.121  185.851 301.8703 273.5305 
1 1 1  -40    3   31 o  313.934  142.467  -0.8262   3.0379  -4.0594   4.2563   2.5312   4.3373  315.384  151.045  443.801  185.850 -128.4172 239.4889 
1 1 1  -40    3   33 o  698.613  158.378   9.3813   3.3847   9.6288   4.9190   9.1588   4.6644  658.136  210.883  647.381  205.135 10.75507 294.1974 
1 1 1  -40    3   35 o  519.685  185.375   5.6383   3.8076   7.5535   4.6290   1.6320   6.6951  578.432  204.602  456.661  208.875 121.7708 292.3878 
1 1 1  -40    3   37 o  817.290  175.762   13.930   4.3644   18.191   5.6399   7.5702   6.8906  895.750  205.451  543.976  231.333 351.7732 309.3947 
1 1 1  -40    3   39 o  469.728  170.455   4.7544   3.2352   3.0306   4.6083   6.4297   4.5430  425.201  185.057  513.773  198.653 -88.57242 271.4941 
1 1 1  -40    3   41 o  727.150  183.049   12.343   4.1649   17.458   5.3557   4.5171   6.6248  832.160  206.515  450.089  206.568 382.0707 292.0934 
1 1 1  -40    3   43 o  810.306  177.623   15.561   4.3824   14.410   5.3052   18.034   7.7761  688.444  218.839  632.736  255.033 55.70813 336.0547 
1 1 1  -40    4    2 o  622.084  168.187   6.9425   3.3546   5.3673   4.6672   8.6261   4.8249  563.688  204.704  678.769  207.657 -115.0807 291.5906 
1 1 1  -40    4    4 o  388.501  161.710   1.0838   3.2556  -3.1804   5.8248   3.0212   3.9262  409.611  190.016  473.190  184.198 -63.57858 264.6413 
1 1 1  -40    4    6 o  460.419  165.956   3.2913   3.0592   6.2205   4.3271   0.3642   4.3256  592.250  198.279  415.103  179.974 177.1470 267.7778 
1 1 1  -40    4    8 o  955.121  130.090   15.366   3.7894   19.274   5.2524   11.125   5.4724  1050.56  165.117  766.265  217.796 284.2928 273.3107 
1 1 1  -40    4   10 o  712.383  161.434   8.9700   3.5177   5.0794   4.4246   15.654   5.7995  553.130  199.552  918.475  206.652 -365.3451 287.2733 
1 1 1  -40    4   12 f  415.116  161.073   2.1796   2.9948   5.0504   4.3775  -0.3465   4.1062  551.005  198.529  389.714  171.983 161.2914 262.6629 
1 1 1  -40    4   14 o  1322.00  101.903   28.559   4.1857   23.807   6.0907   32.812   5.7620  1162.43  172.572  1397.42  133.300 -234.9958 218.0592 
1 1 1  -40    4   16 o  462.447  163.796   3.4202   2.9677  -1.5921   4.4651   7.3864   3.9719  379.028  172.282  635.757  187.029 -256.7292 254.2853 
1 1 1  -40    4   18 o  749.267  141.456   9.7338   3.1971   9.7869   4.8558   9.6932   4.2477  718.969  205.440  724.903  186.165 -5.933044 277.2419 
1 1 1  -40    4   20 o  565.415  164.498   5.7419   3.0878   8.2094   4.4346   3.4196   4.3020  660.406  198.438  490.751  192.320 169.6552 276.3416 
1 1 1  -40    4   22 o  588.008  165.942   6.2890   3.1886   12.343   4.7336   1.2604   4.3141  811.280  189.727  429.485  182.853 381.7953 263.4988 
1 1 1  -40    4   24 o  631.247  159.975   7.2650   3.1660   4.6066   4.5301   9.8034   4.4266  525.477  199.566  715.023  193.155 -189.5458 277.7325 
1 1 1  -40    4   26 o  367.587  154.802   0.9698   3.0367   2.5463   4.4946  -0.3542   4.1190  461.275  190.836  379.953  169.688 81.32172 255.3672 
1 1 1  -40    4   28 o  1010.91  121.341   17.565   3.7642   24.846   5.2229   9.6958   5.4298  1184.12  143.816  679.020  221.899 505.0961 264.4286 
1 1 1  -40    4   30 o  961.312  121.001   16.025   3.5616   17.173   5.0954   14.929   4.9801  945.334  178.686  870.787  188.142 74.54712 259.4728 
1 1 1  -40    4   32 o  467.732  167.162   4.0179   3.0975   5.3035   4.6835   3.0183   4.1298  523.101  201.858  449.582  184.127 73.51917 273.2200 
1 1 1  -40    4   34 o  337.922  147.277   0.5196   2.9276  -1.2679   4.3159   2.0430   3.9845  354.508  164.140  413.476  175.876 -58.96762 240.5701 
1 1 1  -40    4   36 o  410.448  186.177   0.8802   5.1799   0.8802   5.1799   0.0000   0.0000  410.448  186.177  ?   ?  0.000000 186.1773 
1 1 1  -40    4   38 o  435.471  174.450   3.6125   3.6142   5.4965   4.5949   0.5560   5.8527  494.731  197.207  409.092  190.016 85.63934 273.8550 
1 1 1  -40    4   40 o  1355.28  126.953   34.628   5.3248   33.924   6.7524   35.786   8.6590  1248.33  177.771  1134.04  250.530 114.2894 307.1930 
1 1 1  -40    4   42 o  490.678  205.755   7.0702   5.3275   4.6209   8.2067   8.8543   7.0040  444.978  212.184  504.339  223.486 -59.36072 308.1694 
1 1 1  -40    5    1 o  644.848  160.329   7.4069   3.2236   8.3633   4.5301   6.4258   4.5880  670.351  200.370  598.471  204.150 71.88019 286.0508 
1 1 1  -40    5    3 o  345.857  152.732  -0.4383   3.2438   8.3409   4.9706  -6.9506   4.2811  668.807  211.743  292.593  142.798 376.2143 255.3944 
1 1 1  -40    5    5 o  315.955  141.552  -0.8752   2.8905  -1.2245   3.8868  -0.4431   4.3235  360.667  162.646  396.965  175.763 -36.29803 239.4710 
1 1 1  -40    5    7 o  893.461  134.856   13.542   3.6554   7.8608   5.3690   18.450   4.9906  654.336  220.854  1030.79  159.793 -376.4504 272.5994 
1 1 1  -40    5    9 o  378.564  153.308   1.3483   2.8243   0.3520   4.0860   2.2598   3.9082  405.322  175.325  449.933  180.997 -44.61078 251.9893 
1 1 1  -40    5   11 o  708.869  166.174   8.9363   3.6243   11.183   4.4018   4.2065   6.3864  786.507  182.294  565.803  230.031 220.7042 293.5054 
1 1 1  -40    5   13 o  1207.67  109.695   24.001   4.1029   19.531   5.8659   28.283   5.7408  1042.40  186.564  1289.64  144.657 -247.2458 236.0758 
1 1 1  -40    5   15 o  554.114  167.249   5.4260   3.1449   0.9462   4.6386   9.2372   4.2785  439.536  188.428  708.954  189.207 -269.4185 267.0289 
1 1 1  -40    5   17 o  576.356  179.576   5.9542   3.5896   9.7791   6.8169   4.4867   4.2224  708.346  248.496  526.463  194.168 181.8823 315.3590 
1 1 1  -40    5   19 o  516.847  161.223   4.6885   2.8924   2.2276   4.2906   6.7384   3.9160  457.210  187.514  606.615  187.327 -149.4058 265.0525 
1 1 1  -40    5   21 o  452.839  170.649   3.0662   3.2961   7.1422   4.8439  -0.4487   4.4982  618.063  209.770  399.317  177.905 218.7454 275.0519 
1 1 1  -40    5   23 o  609.092  165.455   6.7817   3.2374   8.0433   4.6573   5.6022   4.5034  646.632  204.988  559.745  201.396 86.88696 287.3683 
1 1 1  -40    5   25 o  377.146  154.537   1.3990   2.9109   0.0450   4.1976   2.6532   4.0401  393.193  173.684  454.131  183.553 -60.93842 252.7007 
1 1 1  -40    5   27 f  694.571  155.970   8.8303   3.3091   9.4014   4.6550   8.2468   4.7051  686.073  202.656  642.215  206.296 43.85858 289.1840 
1 1 1  -40    5   29 o  470.265  167.885   3.8931   3.1236   7.5983   4.7594   1.0897   4.1399  611.072  207.930  408.128  176.509 202.9438 272.7460 
1 1 1  -40    5   31 o  576.712  171.689   6.4815   3.3310   5.1216   4.5774   8.0123   4.8565  521.742  200.015  615.477  210.037 -93.73492 290.0368 
1 1 1  -40    5   33 o  235.952  116.158  -5.3607   3.0285  -4.5260   4.3035  -6.1797   4.2627  308.540  148.801  287.457  140.758 21.08380 204.8286 
1 1 1  -40    5   35 o  748.673  151.518   10.727   3.4301   15.159   5.2583   7.4439   4.5255  833.844  203.242  578.213  202.490 255.6319 286.8963 
1 1 1  -40    5   37 o  519.339  188.436   5.9121   3.9536   6.5514   4.8847   4.6979   6.7319  532.157  205.926  493.826  218.952 38.33069 300.5754 
1 1 1  -40    5   39 o  631.301  188.444   9.2279   4.0089   6.8635   4.8557   14.290   7.1048  524.979  204.710  667.946  250.768 -142.9667 323.7139 
1 1 1  -40    5   41 o  607.798  192.641   9.2607   4.1133   11.171   5.3661   6.5391   6.4051  617.203  220.079  484.902  214.352 132.3002 307.2156 
1 1 1  -40    6    2 o  368.416  155.656   0.6828   3.0864   0.3333   4.5860   0.9722   4.1728  423.611  184.484  422.720  179.900 0.8902893 257.6790 
1 1 1  -40    6    4 o  389.900  159.662   1.3310   3.1047   0.4138   4.6118   2.0913   4.1987  427.199  185.525  454.083  185.778 -26.88470 262.5508 
1 1 1  -40    6    6 o  397.128  156.043   1.8494   2.8388   1.8625   4.1477   1.8378   3.8937  446.495  183.886  436.831  178.832 9.663239 256.5051 
1 1 1  -40    6    8 o  711.766  152.087   8.8480   3.2867   10.251   4.9069   7.7066   4.4263  742.285  204.556  649.390  198.932 92.89496 285.3364 
1 1 1  -40    6   10 o  805.775  137.230   11.082   3.3383   5.0402   4.8870   16.367   4.5711  559.531  208.387  972.703  155.302 -413.1719 259.8922 
1 1 1  -40    6   12 o  622.167  182.036   6.9768   3.7718   10.509   4.6564   0.2360   6.4323  755.285  195.404  486.560  214.960 268.7246 290.5004 
1 1 1  -40    6   14 o  1300.73  103.185   27.674   4.1681   26.122   6.0479   29.078   5.7524  1226.98  161.328  1308.80  142.676 -81.82275 215.3672 
1 1 1  -40    6   16 o  750.672  145.415   9.7840   3.2946   12.815   4.8441   7.1755   4.4941  836.378  189.369  626.054  201.671 210.3246 276.6436 
1 1 1  -40    6   18 o  564.606  166.166   5.6887   3.1347   11.645   4.5645   0.3727   4.3124  796.041  186.405  412.245  179.217 383.7957 258.5834 
1 1 1  -40    6   20 o  912.211  125.189   14.086   3.4815   12.523   5.2226   15.336   4.6707  810.820  205.455  927.114  167.036 -116.2943 264.7881 
1 1 1  -40    6   22 o  420.091  166.164   2.2176   3.2390  -1.0691   4.6787   5.2425   4.4885  393.609  177.887  549.705  200.575 -156.0958 268.0938 
1 1 1  -40    6   24 o  368.351  154.568   0.9603   3.0100   2.9427   4.2593  -1.0174   4.2542  470.298  189.034  374.951  169.524 95.34735 253.9142 
1 1 1  -40    6   26 o  470.446  168.826   3.7455   3.1626   8.4135   4.6293  -0.3400   4.3308  653.041  204.006  389.072  173.862 263.9689 268.0417 
1 1 1  -40    6   28 f  617.957  164.739   7.1641   3.2457   15.000   4.6569  -0.2386   4.5263  895.740  172.289  395.169  177.081 500.5707 247.0651 
1 1 1  -40    6   30 o  631.392  167.187   7.6218   3.3575   13.272   4.9714   2.8833   4.5527  811.778  197.471  462.258  191.720 349.5195 275.2303 
1 1 1  -40    6   32 o  454.849  163.169   3.7148   2.9539  -0.3497   4.5294   6.7229   3.8966  384.477  174.277  575.902  187.967 -191.4258 256.3282 
1 1 1  -40    6   34 o  684.205  161.393   9.1156   3.4017   1.6212   5.2539   14.525   4.4636  436.098  193.389  858.760  171.992 -422.6620 258.8061 
1 1 1  -40    6   36 o  412.903  173.194   2.4178   3.7766   0.9524   4.6582   5.2285   6.4513  400.613  179.574  511.100  220.693 -110.4868 284.5203 
1 1 1  -40    6   38 o  471.405  183.284   4.6389   3.8838   6.5078   5.0596   1.9581   6.0596  523.267  207.455  435.640  199.051 87.62662 287.5042 
1 1 1  -40    6   40 o  997.863  152.511   20.079   4.6140   17.211   5.8723   24.707   7.4590  808.066  224.200  927.537  250.801 -119.4711 336.4026 
1 1 1  -40    7    1 o  614.938  196.900   6.8734   4.2888   3.4763   8.1434   8.1773   5.0453  583.816  249.956  662.083  213.723 -78.26691 328.8698 
1 1 1  -40    7    3 o  518.705  169.954   4.6199   3.1844   0.9544   4.5310   8.1974   4.4764  436.514  186.657  666.738  199.153 -230.2235 272.9519 
1 1 1  -40    7    5 o  313.469  145.135  -2.2612   3.3741  -5.0436   7.5520  -1.5673   3.7715  447.044  210.289  348.221  158.301 98.82318 263.2125 
1 1 1  -40    7    7 o  720.898  160.114   9.1572   3.5202   5.1498   5.1547   12.660   4.8189  567.511  213.494  834.913  188.760 -267.4017 284.9734 
1 1 1  -40    7    9 o  676.782  163.098   8.1156   3.4156   1.6391   4.9199   14.141   4.7456  467.534  196.975  891.301  176.285 -423.7668 264.3400 
1 1 1  -40    7   11 o  486.418  168.510   3.8693   3.1300   0.2871   4.2961   7.9223   4.5697  412.578  179.119  657.166  202.263 -244.5881 270.1737 
1 1 1  -40    7   13 f  860.826  159.352   12.960   4.1371   15.949   5.0308   6.7151   7.2709  946.889  176.161  638.186  250.045 308.7028 305.8675 
1 1 1  -40    7   15 o  439.621  162.282   2.8638   2.9508  -1.3356   4.5056   6.0178   3.9047  386.323  174.582  581.339  188.058 -195.0164 256.6019 
1 1 1  -40    7   17 o  566.557  164.498   5.7089   3.0906   8.4629   4.8213   3.7878   4.0267  672.018  207.911  499.425  188.517 172.5931 280.6524 
1 1 1  -40    7   19 o  230.032  112.609  -4.8732   2.7228  -7.2356   3.9947  -2.8233   3.7212  274.064  134.620  320.070  149.613 -46.00607 201.2625 
1 1 1  -40    7   21 o  408.228  165.881   1.7436   3.3189   1.5571   4.8916   1.9027   4.5178  457.532  194.749  454.055  189.871 3.477753 271.9897 
1 1 1  -40    7   23 o  959.010  123.973   15.616   3.6356   16.364   5.1715   14.885   5.1121  942.728  181.781  892.794  188.768 49.93347 262.0637 
1 1 1  -40    7   25 o  346.170  149.492   0.3097   2.9608   3.3523   4.2454  -2.5716   4.1313  480.660  190.200  340.495  158.649 140.1648 247.6802 
1 1 1  -40    7   27 o  454.858  164.535   3.4538   3.0109   3.9440   4.7293   3.1198   3.9044  503.352  200.250  461.885  182.518 41.46738 270.9483 
1 1 1  -40    7   29 o  505.301  168.598   4.6993   3.1286   7.5394   4.4980   2.0376   4.3545  612.859  202.046  438.940  185.139 173.9189 274.0424 
1 1 1  -40    7   31 o  632.672  166.520   7.6880   3.3438   14.984   5.3956   3.1388   4.2606  853.750  204.521  460.694  187.658 393.0561 277.5688 
1 1 1  -40    7   33 o  653.811  161.254   8.2449   3.2806   18.867   4.9089  -0.3285   4.4101  997.675  162.749  378.979  171.858 618.6960 236.6911 
1 1 1  -40    7   35 o  555.777  216.469   6.8720   5.4248   6.8720   5.4248   0.0000   0.0000  555.777  216.469  ?   ?  0.000000 216.4689 
1 1 1  -40    7   37 o  479.790  183.577   4.6932   3.8513   5.2269   4.6818   3.5763   6.7731  497.586  198.829  478.888  215.448 18.69849 293.1734 
1 1 1  -40    7   39 o  290.561  139.429  -2.9973   3.6663  -2.2968   4.4402  -4.4981   6.4993  329.472  156.821  362.453  176.684 -32.98151 236.2415 
1 1 1  -40    8    2 o  470.260  169.400   3.4679   3.1870   3.9317   4.4578   2.9829   4.5580  515.568  197.447  489.963  196.041 25.60480 278.2397 
1 1 1  -40    8    4 o  885.265  135.698   13.310   3.6416   10.383   5.1511   16.235   5.1488  743.730  211.277  954.283  178.883 -210.5523 276.8341 
1 1 1  -40    8    6 f  435.658  179.390   1.7144   3.9465   3.7654   7.9637   1.0468   4.5436  590.346  249.762  440.318  187.564 150.0289 312.3476 
1 1 1  -40    8    8 o  680.339  166.309   8.2239   3.5131   7.3137   5.0944   9.0494   4.8511  636.431  215.130  698.697  207.009 -62.26642 298.5522 
1 1 1  -40    8   10 o  313.403  142.980  -1.5539   3.1116   0.1225   4.4887  -3.1045   4.3171  417.016  182.040  347.569  162.023 69.44672 243.7003 
1 1 1  -40    8   12 o  589.677  170.723   6.1789   3.3332   7.8948   4.9133   4.7158   4.5369  655.521  210.836  543.274  201.089 112.2462 291.3564 
1 1 1  -40    8   14 o  534.204  174.680   4.9346   3.3646   4.6107   4.8363   5.2384   4.6840  544.578  206.349  561.765  204.909 -17.18719 290.8051 
1 1 1  -40    8   16 o  853.160  135.240   12.407   3.4924   7.1615   4.9797   17.485   4.8992  627.185  212.691  999.682  162.060 -372.4970 267.3971 
1 1 1  -40    8   18 o  490.909  166.814   4.0568   3.0632   8.3229   4.4821   0.3177   4.1961  668.325  199.201  406.705  176.796 261.6198 266.3415 
1 1 1  -40    8   20 o  565.242  162.110   5.7148   3.0182   10.077   4.5140   2.1878   4.0588  733.760  193.644  448.456  182.972 285.3040 266.4142 
1 1 1  -40    8   22 o  962.668  124.576   15.699   3.6671   13.542   5.7627   17.167   4.7538  831.019  218.548  984.823  159.621 -153.8037 270.6324 
1 1 1  -40    8   24 o  363.634  156.293   0.4807   3.2062  -0.7372   5.0834   1.2852   4.1316  413.353  186.242  422.126  179.314 -8.773193 258.5335 
1 1 1  -40    8   26 f  840.373  135.953   12.324   3.4553   12.264   5.3273   12.368   4.5397  783.386  212.009  809.462  183.361 -26.07587 280.3015 
1 1 1  -40    8   28 o  887.931  135.424   13.828   3.6461   18.174   5.7280   10.867   4.7274  968.332  195.647  739.589  199.533 228.7427 279.4484 
1 1 1  -40    8   30 o  409.734  160.549   2.4075   2.9978   3.0447   4.5987   1.9365   3.9531  469.153  193.469  423.204  177.339 45.94873 262.4491 
1 1 1  -40    8   32 o  761.244  192.541   11.763   4.5926   8.4328   5.8382   17.168   7.4386  618.682  228.289  840.351  257.963 -221.6694 344.4718 
1 1 1  -40    8   34 o  461.719  192.136   3.2854   4.5942   3.2854   4.5942   0.0000   0.0000  461.719  192.136  ?   ?  0.000000 192.1357 
1 1 1  -40    8   36 o  876.074  176.127   15.526   4.6640   17.719   5.9062   11.894   7.6020  886.010  215.058  649.860  255.352 236.1492 333.8480 
1 1 1  -40    8   38 o  300.332  144.563  -3.5498   4.0136  -0.9249   5.1978  -7.4261   6.3165  376.611  176.290  337.668  166.526 38.94360 242.5060 
1 1 1  -40    9    1 o  566.829  180.431   5.6749   3.6054   6.7109   6.3346   5.1785   4.3850  626.147  236.424  555.247  198.842 70.90082 308.9253 
1 1 1  -40    9    3 o  592.001  164.181   6.2092   3.1498   0.9466   5.0128   9.6425   4.0489  454.497  195.390  731.521  178.372 -277.0239 264.5632 
1 1 1  -40    9    5 o  765.781  154.678   10.226   3.5812   9.2197   5.5166   10.960   4.7082  701.253  223.182  773.292  194.598 -72.03912 296.1064 
1 1 1  -40    9    7 o  522.918  191.110   4.3347   4.0772   7.3045   8.5047   3.4485   4.6459  669.819  267.862  507.716  199.583 162.1028 334.0410 
1 1 1  -40    9    9 o  507.643  168.819   4.3446   3.1378   1.2795   4.4876   7.2765   4.3890  444.503  187.742  634.198  198.726 -189.6949 273.3845 
1 1 1  -40    9   11 o  787.657  148.852   10.728   3.5367   11.241   4.9224   10.181   5.0848  780.442  200.393  738.633  209.941 41.80792 290.2288 
1 1 1  -40    9   13 o  408.929  161.080   1.9600   3.0321   3.7345   4.3411   0.2697   4.2369  507.912  194.768  409.811  177.899 98.10104 263.7850 
1 1 1  -40    9   15 o  276.273  129.783  -2.6087   2.8602  -6.8673   4.1593   1.2117   3.9395  287.704  140.487  420.671  176.693 -132.9677 225.7367 
1 1 1  -40    9   17 o  402.240  160.219   1.8086   3.0308   5.5429   4.4415  -1.4456   4.1462  567.083  200.434  367.660  166.690 199.4228 260.6902 
1 1 1  -40    9   19 o  454.736  168.655   3.1183   3.1946  -0.0647   4.8549   5.5490   4.2424  423.796  187.015  563.236  196.122 -139.4404 270.9949 
1 1 1  -40    9   21 o  365.711  153.603   0.8311   2.9770  -1.8430   4.3377   3.2119   4.0930  366.585  167.840  479.447  187.672 -112.8621 251.7762 
1 1 1  -40    9   23 o  822.719  165.251   12.193   4.1093   20.020   5.3579   1.0126   6.4038  1057.98  167.297  488.811  215.292 569.1660 272.6520 
1 1 1  -40    9   25 o  480.889  165.718   3.9774   3.0252   13.580   4.5694  -3.5164   4.0366  858.298  175.932  321.449  151.974 536.8492 232.4825 
1 1 1  -40    9   27 o  788.668  138.005   10.936   3.2839   10.740   4.9853   11.087   4.3646  733.613  207.656  762.770  184.707 -29.15662 277.9168 
1 1 1  -40    9   29 o  564.492  178.683   6.0594   3.5397   3.9508   5.4851   7.5643   4.6337  513.349  211.448  615.245  205.180 -101.8961 294.6335 
1 1 1  -40    9   31 o  410.187  172.792   1.6914   3.7852   3.7688   4.6044  -2.6394   6.6481  486.969  196.259  421.015  197.806 65.95416 278.6486 
1 1 1  -40    9   33 o  395.059  179.796  -0.4034   4.8826  -0.4034   4.8826   0.0000   0.0000  395.059  179.796  ?   ?  0.000000 179.7955 
1 1 1  -40    9   35 f  406.768  172.273   1.9465   3.7951  -0.3074   4.9412   5.1884   5.9261  392.192  179.407  519.275  217.329 -127.0831 281.8133 
1 1 1  -40    9   37 o  358.232  154.436   1.1031   3.1489   4.4556   4.7195  -1.5871   4.2276  480.028  196.743  340.867  159.377 139.1609 253.1969 
1 1 1  -40   10    2 o  463.391  170.374   3.2314   3.2474  -2.8517   4.9668   7.7733   4.2918  381.156  176.338  653.003  194.992 -271.8463 262.9013 
1 1 1  -40   10    4 o  311.966  143.174  -1.8213   3.1824  -0.4138   4.4530  -3.2908   4.5497  404.365  178.740  355.882  166.043 48.48297 243.9642 
1 1 1  -40   10    6 o  255.678  122.005  -3.2884   2.7234  -5.0669   4.1973  -1.9952   3.5792  312.806  149.860  330.535  151.748 -17.72888 213.2731 
1 1 1  -40   10    8 o  429.357  176.453   1.6402   3.8091   0.5422   9.3186   1.8605   4.1737  570.742  255.039  448.914  184.622 121.8281 314.8495 
1 1 1  -40   10   10 o  222.967  110.612  -6.6540   2.9405  -6.4381   4.8131  -6.7826   3.7143  325.300  157.002  266.060  130.511 59.23972 204.1631 
1 1 1  -40   10   12 o  493.644  169.413   4.0119   3.1601   10.113   4.9402  -0.2134   4.1112  738.252  205.925  393.974  173.038 344.2772 268.9745 
1 1 1  -40   10   14 o  598.721  184.040   6.4042   3.7847   6.0096   4.7688   7.0757   6.2210  589.527  207.761  636.953  235.529 -47.42578 314.0678 
1 1 1  -40   10   16 o  723.105  146.880   9.0851   3.2122   14.451   5.2545   5.8828   4.0590  888.566  194.269  577.533  192.007 311.0331 273.1435 
1 1 1  -40   10   18 o  842.997  130.181   12.059   3.3256   8.4244   5.1101   14.730   4.3801  670.165  214.963  917.803  158.117 -247.6381 266.8521 
1 1 1  -40   10   20 f  447.507  163.901   3.0668   3.0012   2.4097   4.5001   3.5931   4.0277  469.355  192.213  491.746  187.833 -22.39124 268.7511 
1 1 1  -40   10   22 o  318.324  144.087  -1.1442   3.0834   3.6899   5.1915  -3.7788   3.8327  518.701  208.626  309.518  146.848 209.1830 255.1252 
1 1 1  -40   10   24 o  333.169  146.961  -0.2930   2.9948   3.0974   4.7893  -2.4700   3.8377  490.342  199.260  330.097  153.505 160.2450 251.5322 
1 1 1  -40   10   26 o  484.489  170.005   4.0264   3.1907   11.042   4.8520  -1.3189   4.2352  752.903  201.733  367.754  167.402 385.1484 262.1437 
1 1 1  -40   10   28 o  330.106  153.135  -2.1262   3.7831   1.1389   4.6938  -8.1791   6.3910  432.625  187.524  360.205  175.504 72.41992 256.8404 
1 1 1  -40   10   30 o  326.803  151.336  -1.8911   3.6710  -1.2716   4.4572  -3.1973   6.4727  372.061  170.270  412.890  194.363 -40.82895 258.3961 
1 1 1  -40   10   32 o  795.386  213.849   13.386   5.4412   13.386   5.4412   0.0000   0.0000  795.386  213.849  ?   ?  0.000000 213.8490 
1 1 1  -40   10   34 o  410.294  174.418   1.8014   3.9144  -0.8130   4.9248   6.2867   6.4506  387.458  177.926  555.451  229.107 -167.9937 290.0821 
1 1 1  -40   10   36 o  732.220  158.933   10.427   3.5394   14.378   5.2659   7.1723   4.7801  807.649  207.207  567.822  207.020 239.8270 292.9027 
1 1 1  -40   11    1 o  771.287  157.444   10.404   3.6738   15.219   5.6943   6.9703   4.8083  907.890  205.137  623.481  209.011 284.4093 292.8596 
1 1 1  -40   11    3 o  589.878  173.747   6.1605   3.4259   6.4828   5.6242   5.9704   4.3199  615.868  224.552  585.551  198.103 30.31714 299.4464 
1 1 1  -40   11    5 o  452.346  171.137   2.8498   3.3233   3.4549   5.2394   2.4424   4.2987  524.396  210.054  469.902  189.544 54.49374 282.9297 
1 1 1  -40   11    7 o  557.594  167.446   5.4299   3.1582   11.461   4.9228   1.2112   4.1172  791.236  198.913  429.911  180.608 361.3253 268.6737 
1 1 1  -40   11    9 o  405.801  171.464   0.8736   3.7455  -3.5696   8.1017   2.0815   4.2240  485.264  224.753  457.397  186.644 27.86722 292.1469 
1 1 1  -40   11   11 o  549.943  173.980   5.2490   3.3562   2.0268   4.9832   7.9242   4.5405  480.683  200.072  659.940  201.357 -179.2573 283.8549 
1 1 1  -40   11   13 o  548.999  184.892   5.1558   3.7628   8.5824   5.5466   2.2342   5.1215  681.160  224.355  489.393  203.191 191.7668 302.6906 
1 1 1  -40   11   15 o  827.501  176.108   12.225   4.4230   18.520   5.4248  -0.2584   7.6392  1023.79  175.540  514.788  230.412 509.0046 289.6621 
1 1 1  -40   11   17 f  290.252  136.799  -3.0472   3.2246   7.9567   5.0054 -10.8542   4.2160  656.300  212.980  252.651  126.445 403.6487 247.6874 
1 1 1  -40   11   19 o  338.014  151.009  -0.7928   3.2650  -3.2206   5.1088   0.8836   4.2451  379.539  176.701  422.906  180.751 -43.36707 252.7729 
1 1 1  -40   11   21 o  739.763  154.732   9.6657   3.4690   5.8951   5.5442   12.092   4.4470  588.206  221.387  815.368  179.078 -227.1626 284.7471 
1 1 1  -40   11   23 o  215.150  106.920  -6.4309   2.7947  -9.0547   4.6200  -4.9168   3.5096  285.506  141.099  275.679  133.305 9.826385 194.1112 
1 1 1  -40   11   25 o  553.326  180.495   5.5576   3.5932   5.5050   6.3257   5.5827   4.3659  579.244  231.231  558.507  198.579 20.73694 304.7969 
1 1 1  -40   11   27 o  606.171  209.636   7.0520   4.8433   7.1148   6.4925   6.9733   7.2725  614.112  237.474  616.444  247.281 -2.331970 342.8435 
1 1 1  -40   11   29 o  812.333  183.084   12.573   4.5455   9.6074   5.6217   18.174   7.7250  679.316  225.970  898.493  259.838 -219.1770 344.3520 
1 1 1  -40   11   31 f  290.578  143.078  -7.8098   4.6023  -7.8098   4.6023   0.0000   0.0000  290.578  143.078  ?   ?  0.000000 143.0777 
1 1 1  -40   11   33 o  504.613  173.717   4.8192   3.3239   3.6803   5.1239   5.6467   4.3676  488.985  203.148  537.218  197.577 -48.23346 283.3826 
1 1 1  -40   11   35 o  650.291  181.818   8.6504   3.8465   6.4972   6.8027   9.6623   4.6635  556.593  232.890  666.461  204.198 -109.8680 309.7330 
1 1 1  -40   12    2 o  1096.49  131.173   20.130   4.4143   26.967   7.5950   16.642   5.4246  1218.67  206.400  964.958  186.278 253.7071 278.0296 
1 1 1  -40   12    4 o  607.141  172.414   6.5248   3.4310   8.2830   4.9670   4.9203   4.7450  673.298  211.477  556.657  205.727 116.6412 295.0363 
1 1 1  -40   12    6 o  571.420  174.118   5.7132   3.3968   6.3497   5.0730   5.1960   4.5733  607.903  214.278  563.237  202.922 44.66620 295.1144 
1 1 1  -40   12    8 o  444.434  168.820   2.6822   3.2421   3.4709   4.7602   1.9998   4.4280  513.764  202.002  462.903  190.245 50.86099 277.4853 
1 1 1  -40   12   10 o  407.997  164.854   1.6216   3.2578   2.5863   4.9261   0.8716   4.3431  494.133  201.588  430.650  183.411 63.48337 272.5383 
1 1 1  -40   12   12 o  431.687  168.254   2.3053   3.2791   1.4376   5.4941   2.7854   4.0868  484.066  206.227  473.850  186.896 10.21585 278.3157 
1 1 1  -40   12   14 o  455.563  171.626   2.9348   3.3335   5.3148   5.0231   1.0617   4.4562  572.606  211.661  438.625  186.271 133.9811 281.9529 
1 1 1  -40   12   16 o  571.720  200.184   5.5832   4.4230   6.0786   5.5887   4.7530   7.2356  602.232  223.130  596.563  243.952 5.669434 330.6046 
1 1 1  -40   12   18 o  477.147  172.569   3.5629   3.3120   5.1228   5.2813   2.5519   4.2519  567.789  215.516  469.121  188.762 98.66803 286.4932 
1 1 1  -40   12   20 o  380.755  158.993   0.9863   3.1615   2.1220   4.8619   0.1543   4.1613  474.735  197.611  402.206  175.433 72.52939 264.2480 
1 1 1  -40   12   22 o  334.591  149.417  -0.7371   3.1929   9.1588   5.2385  -6.5868   4.0276  691.564  217.174  282.964  138.188 408.6000 257.4113 
1 1 1  -40   12   24 o  594.062  210.423   6.4192   4.8978   5.2550   7.4623   7.3003   6.4917  595.019  246.009  631.073  239.084 -36.05316 343.0475 
1 1 1  -40   12   26 o  809.222  204.333   12.667   5.1786   8.4468   6.8597   18.258   7.8964  656.022  246.383  920.079  261.660 -264.0567 359.4028 
1 1 1  -40   12   28 o  476.046  200.478   2.4366   5.0930   5.3847   7.1793  -0.5503   7.2262  579.688  240.617  477.916  217.979 101.7717 324.6711 
1 1 1  -40   12   30 o  1055.34  248.375   24.059   8.0711   24.059   8.0711   0.0000   0.0000  1055.34  248.375  ?   ?  0.000000 248.3748 
1 1 1  -40   12   32 o  712.869  182.187   9.9508   4.0820   13.329   6.8721   8.1093   5.0742  757.477  249.739  623.441  214.634 134.0357 329.2979 
1 1 1  -40   13    1 o  752.992  167.868   10.012   3.8570   11.441   7.0520   9.4016   4.6072  769.179  252.957  716.950  198.467 52.22913 321.5224 
1 1 1  -40   13    3 o  282.457  134.742  -3.9113   3.3164 -10.1338   5.3552  -0.0403   4.2238  312.627  154.012  404.309  176.537 -91.68250 234.2757 
1 1 1  -40   13    5 o  497.522  183.694   3.7222   3.7812  -1.1357   6.7398   5.9536   4.5678  478.492  215.127  590.023  203.613 -111.5303 296.2058 
1 1 1  -40   13    7 o  466.169  173.836   3.1235   3.4029   2.5795   5.7713   3.4134   4.2132  519.748  215.736  498.375  191.695 21.37347 288.5983 
1 1 1  -40   13    9 o  385.414  164.553   0.4660   3.5117   5.5065   5.7401  -2.5490   4.4394  593.303  224.807  364.674  168.005 228.6291 280.6489 
1 1 1  -40   13   11 o  437.723  175.885   2.0206   3.6861   4.3924   6.5397   0.9163   4.4624  580.015  233.848  436.929  185.995 143.0862 298.7958 
1 1 1  -40   13   13 o  744.653  169.775   9.7982   3.8707   23.969   6.7533   2.8656   4.7236  1159.98  192.690  495.729  199.137 664.2546 277.1004 
1 1 1  -40   13   15 o  695.987  185.624   8.7427   4.1197   1.1961   7.2513   12.339   5.0060  530.736  231.536  822.442  196.986 -291.7063 303.9939 
1 1 1  -40   13   17 o  344.917  163.808  -4.8048   4.7925  -4.5337   6.4035  -5.1500   7.2259  414.979  194.702  436.480  205.435 -21.50049 283.0415 
1 1 1  -40   13   19 o  360.824  159.510  -0.4761   3.5472  -6.7243   6.9484   1.7263   4.1253  407.478  194.562  441.815  182.809 -34.33603 266.9716 
1 1 1  -40   13   21 o  900.734  159.977   14.233   4.3467   17.010   7.7128   12.941   5.2620  913.354  258.202  831.456  203.713 81.89764 328.8877 
1 1 1  -40   13   23 o  689.027  213.726   9.0650   5.0911   4.0703   7.5370   13.256   6.9043  577.744  243.623  806.991  248.658 -229.2465 348.1138 
1 1 1  -40   13   25 o  422.972  185.587   0.2928   4.7186  -2.2208   6.1463   3.9007   7.3637  429.360  197.760  565.805  239.817 -136.4452 310.8395 
1 1 1  -40   13   27 o  580.928  218.225   6.0609   5.3819   11.243   7.7058   1.1251   7.5201  725.071  263.074  514.942  229.678 210.1287 349.2277 
1 1 1  -40   13   29 o  474.227  181.572   3.5416   3.7692   12.684   7.3377   0.2645   4.3931  755.485  258.174  404.242  178.167 351.2428 313.6835 
1 1 1  -40   13   31 o  510.778  183.423   4.7178   3.7337   4.2797   6.6875   4.9163   4.5005  539.404  228.579  525.081  199.034 14.32306 303.0887 
1 1 1  -40   14    2 o  392.512  165.609   0.7732   3.4860  -2.8461   5.4495   3.2800   4.5353  403.900  186.099  502.689  197.325 -98.78867 271.2380 
1 1 1  -40   14    4 o  506.071  188.107   3.8154   3.9783   7.7555   6.8982   1.8519   4.8696  670.310  247.988  475.122  197.770 195.1880 317.1927 
1 1 1  -40   14    6 o  542.732  179.528   4.9811   3.5502   7.5494   5.9794   3.5828   4.4120  656.730  232.512  509.681  196.133 147.0497 304.1873 
1 1 1  -40   14    8 o  419.069  168.988   1.7306   3.4158  -3.5194   5.7952   4.5255   4.2284  408.770  189.593  536.495  194.842 -127.7253 271.8617 
1 1 1  -40   14   10 o  339.441  153.324  -1.3537   3.4705  -6.8138   6.4822   0.8402   4.1089  393.694  187.965  421.777  178.977 -28.08292 259.5450 
1 1 1  -40   14   12 o  727.420  178.468   9.4162   4.0344   12.571   6.6008   7.5349   5.0974  811.736  241.693  649.708  215.130 162.0287 323.5681 
1 1 1  -40   14   14 o  462.703  178.411   2.8227   3.6564   2.1178   6.7990   3.1095   4.3370  537.744  229.263  492.046  193.022 45.69791 299.6979 
1 1 1  -40   14   16 o  508.190  189.052   3.8957   4.0200   14.690   7.0440  -1.3180   4.8955  868.911  247.142  406.218  182.922 462.6936 307.4731 
1 1 1  -40   14   18 o  432.224  192.360  -0.6124   5.2437  -1.5488   7.0347   0.5585   7.8661  478.508  217.016  535.006  236.970 -56.49774 321.3271 
1 1 1  -40   14   20 o  779.250  223.725   11.606   5.7457   13.808   7.9899   9.2493   8.2684  822.867  269.188  706.604  269.312 116.2625 380.7774 
1 1 1  -40   14   22 o  567.512  210.168   5.3675   4.9570   3.4946   6.4016   8.1724   7.8340  546.798  227.109  673.323  260.720 -126.5250 345.7647 
1 1 1  -40   14   24 o  918.063  208.103   15.961   5.8442   14.470   8.0714   17.604   8.4731  825.689  270.579  906.131  274.754 -80.44208 385.6194 
1 1 1  -40   14   26 o  480.264  177.364   3.6809   3.5255   9.7610   6.4141   1.0489   4.2202  697.638  241.250  421.549  180.197 276.0890 301.1187 
1 1 1  -40   14   28 o  485.780  188.793   3.5731   4.1194   1.9746   7.3096   4.3170   4.9867  522.657  230.116  524.713  206.611 -2.055847 309.2593 
1 1 1  -40   15    5 o  384.659  160.375   0.9051   3.2096  -3.6447   4.9880   4.1200   4.1929  373.090  174.000  522.438  193.328 -149.3481 260.0996 
1 1 1  -40   15    7 o  636.011  178.717   7.1460   3.7067   7.6774   5.4550   6.6901   5.0523  658.518  222.613  622.746  214.182 35.77197 308.9184 
1 1 1  -40   15    9 o  493.039  177.189   3.7453   3.4849   2.3769   5.0313   5.0073   4.8315  494.920  203.026  564.756  207.790 -69.83578 290.5106 
1 1 1  -40   15   11 o  375.290  168.042  -1.1078   4.0675  -7.6156   8.1981   1.0174   4.6848  446.764  212.770  449.283  190.898 -2.519226 285.8548 
1 1 1  -40   15   13 o  492.635  177.607   3.7402   3.5041   0.4042   5.0989   6.7258   4.8237  450.548  195.371  620.915  209.339 -170.3667 286.3435 
1 1 1  -40   15   15 o  280.401  132.764  -3.2771   3.1021  -3.0738   4.8662  -3.4162   4.0262  375.654  174.057  329.751  154.609 45.90323 232.8088 
1 1 1  -40   15   17 o  551.326  203.000   4.8183   4.6125   6.4587   5.5481   1.1468   8.3003  616.513  223.295  558.209  245.504 58.30334 331.8628 
1 1 1  -40   15   19 o  324.738  153.448  -3.9157   4.1054   0.1973   5.0963 -11.5175   6.9285  442.919  193.641  362.828  178.033 80.09122 263.0449 
1 1 1  -40   15   21 o  275.862  136.652  -9.3468   4.4266  -4.2453   5.4353 -19.3960   7.6285  379.770  178.565  332.801  167.056 46.96838 244.5267 
1 1 1  -40   15   23 o  665.211  171.300   7.9795   3.5896   9.0490   5.7116   7.2813   4.6149  689.027  227.702  629.503  204.516 59.52386 306.0636 
1 1 1  -39    0    1 o  1040.60  302.343   22.808   8.5509   22.808   8.5509   22.808   8.5509  1040.60  302.343  1040.60  302.343 -0.000000 0.000000 
1 1 1  -39    0    3 o  257.182  180.545  -5.2522   5.5634  -5.2522   5.5634  -5.2522   5.5634  257.182  180.545  257.182  180.545 -0.000000 0.000000 
1 1 1  -39    0    5 o  587.294  242.375   8.0852   4.4200   8.0852   4.4200   8.0852   4.4200  587.294  242.375  587.294  242.375 -0.000000 0.000000 
1 1 1  -39    0    7 o  627.815  277.891   9.7243   5.7557   9.7243   5.7557   9.7243   5.7557  627.815  277.891  627.815  277.891 -0.000000 0.000000 
1 1 1  -39    0    9 o  307.012  195.771   0.7275   4.1664   0.7275   4.1664   0.7275   4.1664  307.012  195.771  307.012  195.771 -0.000000 0.000000 
1 1 1  -39    0   11 o  891.476  188.667   14.509   4.6326   14.509   4.6326   14.509   4.6326  891.476  188.667  891.476  188.667 -0.000000 0.000000 
1 1 1  -39    0   13 o  425.660  230.500   4.4419   4.3023   4.4419   4.3023   4.4419   4.3023  425.660  230.500  425.660  230.500 -0.000000 0.000000 
1 1 1  -39    0   15 o  583.494  237.193   7.8618   4.2515   7.8618   4.2515   7.8618   4.2515  583.494  237.193  583.494  237.193 -0.000000 0.000000 
1 1 1  -39    0   17 o  794.905  221.865   12.490   4.7779   12.490   4.7779   12.490   4.7779  794.905  221.865  794.905  221.865 -0.000000 0.000000 
1 1 1  -39    0   19 o  839.537  211.437   13.495   4.8071   13.495   4.8071   13.495   4.8071  839.537  211.437  839.537  211.437 -0.000000 0.000000 
1 1 1  -39    0   21 o  1253.02  149.805   26.428   5.6556   26.428   5.6556   26.428   5.6556  1253.02  149.805  1253.02  149.805 -0.000000 0.000000 
1 1 1  -39    0   23 o  694.617  243.546   10.503   4.8003   10.503   4.8003   10.503   4.8003  694.617  243.546  694.617  243.546 -0.000000 0.000000 
1 1 1  -39    0   25 o  1322.44  151.102   29.432   6.0458   29.432   6.0458   29.432   6.0458  1322.44  151.102  1322.44  151.102 -0.000000 0.000000 
1 1 1  -39    0   27 o  508.189  294.051   6.5800   7.6037   6.5800   7.6037   6.5800   7.6037  508.189  294.051  508.189  294.051 -0.000000 0.000000 
1 1 1  -39    0   29 o  619.203  249.035   8.9843   4.7012   8.9843   4.7012   8.9843   4.7012  619.203  249.035  619.203  249.035 -0.000000 0.000000 
1 1 1  -39    0   31 o  325.233  201.290   1.6524   4.0622   1.6524   4.0622   1.6524   4.0622  325.233  201.290  325.233  201.290 -0.000000 0.000000 
1 1 1  -39    0   33 o  423.328  227.854   4.5438   4.1804   4.5438   4.1804   4.5438   4.1804  423.328  227.854  423.328  227.854 -0.000000 0.000000 
1 1 1  -39    0   35 o  1528.19  141.979   38.998   6.6591   38.998   6.6591   38.998   6.6591  1528.19  141.979  1528.19  141.979 -0.000000 0.000000 
1 1 1  -39    0   37 o  279.342  181.933   0.1324   3.8532   0.1324   3.8532   0.1324   3.8532  279.342  181.933  279.342  181.933 -0.000000 0.000000 
1 1 1  -39    0   39 o  286.941  195.732  -2.2449   5.4532  -2.2449   5.4532  -2.2449   5.4532  286.941  195.732  286.941  195.732 -0.000000 0.000000 
1 1 1  -39    0   41 o  421.031  238.999   4.5129   4.8853   4.5129   4.8853   4.5129   4.8853  421.031  238.999  421.031  238.999 -0.000000 0.000000 
1 1 1  -39    0   43 o  562.930  243.184   7.8653   4.4128   7.8653   4.4128   7.8653   4.4128  562.930  243.184  562.930  243.184 -0.000000 0.000000 
1 1 1  -39    0   45 o  736.768  247.086   12.041   5.0881   12.041   5.0881   12.041   5.0881  736.768  247.086  736.768  247.086 -0.000000 0.000000 
1 1 1  -39    1    2 o  510.665  176.276   4.3183   3.4237  -1.1915   7.1187   5.9763   3.9050  486.122  219.585  582.308  188.032 -96.18524 289.0907 
1 1 1  -39    1    4 o  501.259  179.504   3.9811   3.5735   11.926   7.2865   1.4651   4.1006  782.209  257.123  436.050  181.492 346.1595 314.7244 
1 1 1  -39    1    6 o  384.446  160.970   0.8693   3.2530  -0.2327   5.6772   1.4080   3.9693  457.350  202.007  430.248  178.777 27.10199 269.7557 
1 1 1  -39    1    8 o  675.577  159.459   7.9830   3.3190   9.2188   4.7805   6.8330   4.6115  710.724  204.077  622.100  204.553 88.62439 288.9454 
1 1 1  -39    1   10 o  563.534  166.678   5.5268   3.1471   7.6083   4.6205   3.7254   4.2982  651.013  203.884  510.786  194.295 140.2264 281.6364 
1 1 1  -39    1   12 o  428.090  160.202   2.5368   2.8951   3.8488   4.1221   1.2597   4.0669  510.337  191.125  430.522  180.099 79.81516 262.6110 
1 1 1  -39    1   14 o  909.349  127.817   13.837   3.5390   11.354   4.9069   16.527   5.1089  789.211  198.694  970.640  174.510 -181.4286 264.4489 
1 1 1  -39    1   16 o  733.499  150.115   9.3182   3.3317   5.4994   4.7260   13.091   4.6975  574.660  206.362  856.725  180.790 -282.0655 274.3546 
1 1 1  -39    1   18 o  1915.79   92.610   59.176   5.5555   65.184   7.9595   53.469   7.7577  1980.42  129.060  1783.84  140.012 196.5828 190.4201 
1 1 1  -39    1   20 o  750.292  146.320   9.7718   3.3141   6.5410   4.9715   12.356   4.4461  606.569  212.243  829.325  176.625 -222.7557 276.1226 
1 1 1  -39    1   22 o  842.838  136.104   12.181   3.4696   16.776   4.8690   7.4420   4.9454  973.324  165.696  632.824  211.969 340.4996 269.0466 
1 1 1  -39    1   24 f  665.057  160.532   7.9766   3.3049   7.0268   4.6365   8.9577   4.7121  612.966  205.243  683.674  204.357 -70.70758 289.6313 
1 1 1  -39    1   26 o  622.033  157.871   7.0361   3.0801   6.2291   4.4110   7.8040   4.3029  578.579  200.064  637.895  196.260 -59.31598 280.2570 
1 1 1  -39    1   28 o  327.051  146.622  -0.6371   3.1067  -5.1659   4.6543   3.0021   4.1723  324.493  156.067  464.644  186.977 -140.1505 243.5513 
1 1 1  -39    1   30 o  471.274  165.672   3.9396   3.0308   6.2230   4.1775   1.4022   4.4037  565.055  194.736  424.043  182.720 141.0128 267.0374 
1 1 1  -39    1   32 o  465.469  161.592   3.9456   2.8790   4.9863   4.2047   3.0269   3.9503  514.053  192.928  448.998  181.494 65.05417 264.8796 
1 1 1  -39    1   34 o  1081.73  111.582   20.269   3.7252   22.513   5.5144   18.386   5.0524  1079.10  168.726  969.477  172.768 109.6193 241.4890 
1 1 1  -39    1   36 o  951.051  123.485   16.265   3.5906   15.901   5.0849   16.627   5.0709  864.290  192.792  891.175  187.652 -26.88501 269.0388 
1 1 1  -39    1   38 o  474.349  181.382   4.7143   3.7583   7.7576   4.4085  -3.3808   7.1900  572.131  199.883  392.929  190.202 179.2024 275.9166 
1 1 1  -39    1   40 o  448.610  174.663   4.2930   3.5307  -0.5610   5.7567   7.2200   4.4702  382.441  181.015  535.352  199.319 -152.9116 269.2475 
1 1 1  -39    1   42 o  1378.29  103.622   34.334   4.4393   35.360   6.5167   33.445   6.0641  1273.43  167.495  1258.66  157.300 14.77527 229.7776 
1 1 1  -39    1   44 o  943.409  135.161   18.210   3.8786   21.127   5.3395   14.951   5.6436  913.576  192.716  669.834  226.429 243.7420 297.3373 
1 1 1  -39    2    1 o  809.453  189.280   11.924   4.7117   15.134   6.8592   9.0563   6.4834  879.484  241.638  694.821  242.421 184.6636 342.2818 
1 1 1  -39    2    3 o  490.187  177.991   3.7296   3.5284   9.1208   6.3252   1.2941   4.2513  699.465  239.697  436.655  183.488 262.8094 301.8645 
1 1 1  -39    2    5 o  1089.05  168.295   20.604   5.5540   0.0000   0.0000   20.604   5.5540  ?   ?   1089.05  168.295 0.000000 168.2947 
1 1 1  -39    2    7 o  307.820  137.124  -0.7401   2.6714  -7.5614   4.0677   4.4334   3.5425  276.824  135.949  519.422  179.307 -242.5977 225.0181 
1 1 1  -39    2    9 o  719.162  152.087   8.9528   3.3178   9.4209   4.7132   8.4930   4.6711  719.074  201.340  683.962  203.244 35.11169 286.0877 
1 1 1  -39    2   11 o  424.873  159.770   2.4638   2.8863   0.4686   3.8442   5.0421   4.3699  400.586  171.628  555.962  198.563 -155.3760 262.4560 
1 1 1  -39    2   13 o  329.876  144.549  -0.3238   2.8543  -6.6873   4.0748   5.8063   3.9994  286.959  139.887  579.078  190.499 -292.1193 236.3429 
1 1 1  -39    2   15 o  236.564  114.673  -4.1166   2.6355  -7.6681   3.9432  -1.2489   3.5432  268.965  132.436  344.674  155.376 -75.70837 204.1589 
1 1 1  -39    2   17 o  306.116  139.916  -1.5953   2.9971  -2.6085   4.2441  -0.5874   4.2331  352.894  163.172  391.397  173.576 -38.50250 238.2306 
1 1 1  -39    2   19 o  355.641  151.820   0.3920   2.9885   3.4187   4.2355  -2.6088   4.2173  494.759  191.671  350.556  162.290 144.2033 251.1485 
1 1 1  -39    2   21 o  872.791  130.296   12.928   3.4518   18.026   4.9621   8.1488   4.8050  1014.00  161.715  660.251  208.095 353.7445 263.5432 
1 1 1  -39    2   23 o  488.336  163.818   4.0770   2.9538   5.2349   4.2722   3.0166   4.0885  549.649  196.328  473.112  186.830 76.53751 271.0170 
1 1 1  -39    2   25 o  1170.93  108.220   22.796   3.9230   28.811   5.6392   17.156   5.4610  1291.80  141.742  960.023  188.393 331.7802 235.7599 
1 1 1  -39    2   27 o  536.101  168.808   5.2601   3.1626   0.8074   4.3971   10.032   4.5521  416.955  181.116  717.705  196.710 -300.7499 267.3906 
1 1 1  -39    2   29 o  805.670  137.362   11.481   3.3410   11.767   4.8973   11.232   4.5696  767.113  201.339  756.269  192.480 10.84424 278.5424 
1 1 1  -39    2   31 o  1387.62  115.297   32.920   4.9642   28.593   9.1761   34.711   5.9026  1103.31  268.218  1402.42  136.131 -299.1022 300.7862 
1 1 1  -39    2   33 o  1128.30  112.251   21.938   3.9132   18.579   5.6800   24.972   5.3987  953.673  196.740  1162.79  151.908 -209.1158 248.5614 
1 1 1  -39    2   35 o  1151.16  109.772   22.996   3.9089   22.894   5.6267   23.090   5.4343  1077.27  172.635  1092.70  163.881 -15.42444 238.0331 
1 1 1  -39    2   37 o  713.657  182.468   10.870   4.0934   11.977   5.3697   9.3324   6.3246  698.413  219.967  594.089  233.079 104.3232 320.4862 
1 1 1  -39    2   39 o  633.078  157.774   8.2512   3.1164   10.019   4.4146   6.4949   4.3999  647.406  198.725  522.136  197.067 125.2701 279.8694 
1 1 1  -39    2   41 o  532.108  189.426   7.0406   3.9739   5.9044   6.9862   7.5840   4.8317  477.243  216.374  529.520  204.834 -52.27713 297.9504 
1 1 1  -39    2   43 o  530.134  173.316   6.8802   3.3123   12.560   4.4366  -0.2727   4.9788  695.692  195.536  351.635  166.987 344.0566 257.1366 
1 1 1  -39    2   45 o  336.033  146.874   1.7929   2.9303   2.1052   4.0511   1.4501   4.2436  359.377  163.640  349.998  162.301 9.378906 230.4769 
1 1 1  -39    3    2 o  310.067  148.178  -4.6979   4.0482   1.9382   6.6582  -8.5897   5.0989  526.329  225.697  314.823  154.114 211.5052 273.2955 
1 1 1  -39    3    4 o  682.183  201.924   8.5087   4.6174   0.0000   0.0000   8.5087   4.6174  ?   ?   682.183  201.924 0.000000 201.9238 
1 1 1  -39    3    6 o  375.487  162.632   0.0841   3.5250  -3.1404   6.1085   1.6939   4.3161  424.926  196.225  450.755  186.788 -25.82877 270.9140 
1 1 1  -39    3    8 o  321.191  141.560  -0.4700   2.7731   3.3704   4.1426  -3.5884   3.7329  494.831  190.141  311.286  146.857 183.5453 240.2510 
1 1 1  -39    3   10 o  691.434  151.362   8.2852   3.1862   7.0575   4.2624   9.8398   4.7965  629.360  195.617  734.057  202.223 -104.6969 281.3537 
1 1 1  -39    3   12 o  351.320  149.036   0.4286   2.8479   7.8157   4.0276  -6.9575   4.0274  660.294  186.558  281.400  137.586 378.8940 231.8053 
1 1 1  -39    3   14 o  646.112  155.365   7.2947   3.1046   8.7756   4.2444   5.5905   4.5531  696.934  189.500  576.331  203.017 120.6022 277.7164 
1 1 1  -39    3   16 o  663.362  149.981   7.6588   3.0422   3.7082   4.3041   11.603   4.3006  508.042  194.144  807.913  175.059 -299.8712 261.4150 
1 1 1  -39    3   18 o  363.204  149.066   1.0479   2.7140   4.0535   3.9707  -1.5874   3.7180  510.278  188.273  345.386  157.075 164.8917 245.1923 
1 1 1  -39    3   20 o  699.065  142.245   8.4736   3.0077   7.5106   4.3441   9.3603   4.1685  639.592  197.267  715.547  184.766 -75.95477 270.2829 
1 1 1  -39    3   22 o  772.073  139.636   10.309   3.2515   11.436   5.0247   9.4968   4.2648  777.012  203.943  715.892  187.885 61.11945 277.2973 
1 1 1  -39    3   24 o  1080.68  112.479   19.483   3.7504   18.466   5.4860   20.376   5.1387  1005.82  180.837  1075.63  157.213 -69.81165 239.6202 
1 1 1  -39    3   26 o  1108.90  108.135   20.515   3.7069   16.042   5.2472   24.972   5.2376  924.802  187.617  1198.76  142.313 -273.9618 235.4850 
1 1 1  -39    3   28 o  554.659  169.262   5.7213   3.2082   5.2532   4.8531   6.0847   4.2757  543.297  206.505  567.024  196.921 -23.72681 285.3459 
1 1 1  -39    3   30 o  462.514  166.082   3.7174   3.0611   5.9360   4.5284   1.8507   4.1539  555.405  201.646  427.695  180.634 127.7099 270.7206 
1 1 1  -39    3   32 o  746.256  160.692   10.524   3.6439   9.9423   5.3936   11.012   4.9423  671.914  221.234  721.087  207.633 -49.17291 303.4074 
1 1 1  -39    3   34 o  1184.24  110.310   24.201   4.0434   18.941   5.6121   29.878   5.8306  961.161  193.173  1270.17  149.460 -309.0077 244.2415 
1 1 1  -39    3   36 o  677.323  166.320   9.2303   3.5016   8.2020   4.9917   10.226   4.9133  592.498  212.156  663.753  210.558 -71.25488 298.9059 
1 1 1  -39    3   38 o  404.828  165.212   2.6975   3.3101  -1.2514   4.7316   6.4826   4.6325  357.756  167.698  527.619  201.465 -169.8629 262.1277 
1 1 1  -39    3   40 o  887.545  137.466   15.226   3.6968   14.812   5.3957   15.594   5.0752  760.331  216.318  810.386  200.988 -50.05402 295.2789 
1 1 1  -39    3   42 o  513.066  165.847   6.0384   3.0373   3.3516   4.7655   7.8764   3.9416  416.388  184.437  555.134  189.221 -138.7463 264.2383 
1 1 1  -39    3   44 o  676.273  181.279   11.441   3.9170   8.0676   7.5726   12.674   4.5768  463.450  215.555  673.338  201.431 -209.8882 295.0226 
1 1 1  -39    4    1 o  410.541  169.490   1.3984   3.5347   5.6744   7.1449   0.0128   4.0672  614.080  245.537  396.716  173.227 217.3636 300.4927 
1 1 1  -39    4    3 o  443.631  196.901  -0.4437   5.4580   0.0000   0.0000  -0.4437   5.4580  ?   ?   443.631  196.901 0.000000 196.9009 
1 1 1  -39    4    5 o  991.686  147.194   16.759   4.4320   16.396   7.6388   16.943   5.4415  911.536  256.706  975.593  184.895 -64.05707 316.3607 
1 1 1  -39    4    7 o  418.591  170.913   1.5844   3.5448   3.1737   7.0845   1.0536   4.0941  565.254  237.161  425.629  179.522 139.6247 297.4446 
1 1 1  -39    4    9 f  529.165  175.265   4.7259   3.3832   2.8037   4.2057   8.2508   5.6953  479.026  189.385  674.715  227.467 -195.6892 295.9860 
1 1 1  -39    4   11 o  519.729  168.639   4.5746   3.1382   1.8786   4.7605   6.6466   4.1734  471.418  195.827  612.776  194.023 -141.3578 275.6683 
1 1 1  -39    4   13 o  406.949  157.862   2.0230   2.8760  -2.0578   4.1200   5.9016   4.0166  357.732  163.709  582.408  190.875 -224.6758 251.4635 
1 1 1  -39    4   15 o  901.819  119.501   13.527   3.2914   13.330   4.7038   13.715   4.6070  865.474  179.462  881.735  173.045 -16.26099 249.3013 
1 1 1  -39    4   17 o  398.956  156.329   1.8784   2.8423   8.5308   4.0551  -4.5465   3.9851  686.409  184.637  308.973  147.478 377.4356 236.3061 
1 1 1  -39    4   19 o  467.699  162.539   3.5448   2.9132   4.3127   3.9843   2.6626   4.2705  518.456  189.005  472.541  189.513 45.91553 267.6530 
1 1 1  -39    4   21 o  511.461  171.312   4.4863   3.2302   6.0142   4.7150   3.1349   4.4343  584.270  206.511  488.493  194.040 95.77716 283.3700 
1 1 1  -39    4   23 o  626.573  161.066   7.0679   3.1774   1.4992   4.7205   11.681   4.2964  451.019  191.629  800.311  176.217 -349.2923 260.3347 
1 1 1  -39    4   25 o  756.123  145.775   10.084   3.3263   12.688   4.8843   7.8314   4.5424  818.142  193.665  639.614  202.408 178.5277 280.1342 
1 1 1  -39    4   27 o  311.586  140.879  -0.9576   2.9382  -2.8287   4.7420   0.2084   3.7433  362.139  169.148  378.062  165.605 -15.92340 236.7191 
1 1 1  -39    4   29 o  438.385  165.055   3.0473   3.0822   5.8363   4.2762   0.0315   4.4467  555.079  196.617  397.964  177.124 157.1149 264.6340 
1 1 1  -39    4   31 o  1040.58  122.138   18.763   3.9039   14.067   5.4713   23.634   5.5722  821.624  211.433  1130.57  162.035 -308.9422 266.3820 
1 1 1  -39    4   33 o  441.871  167.188   3.3379   3.1719   3.5153   4.7048   3.1901   4.2946  473.567  195.529  457.607  187.631 15.96036 270.9921 
1 1 1  -39    4   35 o  464.668  169.444   4.0856   3.2026   5.4348   4.7367   2.9496   4.3466  516.608  201.981  444.079  186.014 72.52884 274.5864 
1 1 1  -39    4   37 o  395.583  156.779   2.5479   2.8887   4.4958   4.3981   1.0701   3.8308  476.703  191.921  377.842  166.462 98.86050 254.0534 
1 1 1  -39    4   39 o  851.031  129.912   13.571   3.3522   9.4314   5.0780   16.768   4.4627  604.189  214.233  907.014  163.130 -302.8251 269.2717 
1 1 1  -39    4   41 o  728.762  158.806   11.169   3.5214   18.913   5.5649   5.9967   4.5478  879.449  205.741  489.809  195.876 389.6400 284.0717 
1 1 1  -39    4   43 f  604.024  184.568   9.2011   3.8130   16.615   7.4081   6.5290   4.4473  637.723  251.598  485.674  193.882 152.0488 317.6342 
1 1 1  -39    4   45 o  361.498  161.704   2.3203   3.7564   4.8151   4.5382  -3.1083   6.6943  418.220  182.790  338.749  167.847 79.47079 248.1629 
1 1 1  -39    5    2 o  332.011  151.314  -1.6323   3.4736   2.4926   7.2018  -2.8827   3.9653  550.885  235.437  334.123  155.596 216.7619 282.2073 
1 1 1  -39    5    4 o  568.210  186.252   5.6085   3.8243   3.9832   6.6763   6.4022   4.6656  570.869  233.991  604.462  205.870 -33.59363 311.6638 
1 1 1  -39    5    6 o  328.334  147.419  -1.0382   3.1532   1.9862   5.9199  -2.2361   3.7257  509.328  215.404  334.229  153.953 175.0990 264.7650 
1 1 1  -39    5    8 o  1069.75  112.211   18.812   3.7027   21.362   5.5724   16.796   4.9547  1111.94  165.054  982.820  166.975 129.1172 234.7840 
1 1 1  -39    5   10 o  642.032  177.132   7.3335   3.6769   4.8262   4.5516   12.043   6.2383  551.082  201.844  796.186  234.438 -245.1046 309.3582 
1 1 1  -39    5   12 o  599.373  157.299   6.2861   2.9894   8.1320   4.4285   4.7410   4.0518  670.036  197.593  539.129  191.342 130.9078 275.0545 
1 1 1  -39    5   14 o  1149.51  104.536   21.583   3.7215   21.265   5.3009   21.893   5.2260  1113.54  156.336  1133.28  151.030 -19.73633 217.3731 
1 1 1  -39    5   16 o  326.773  142.617  -0.1978   2.7538  -0.0372   3.8894  -0.3593   3.8996  388.408  169.504  381.322  167.974 7.085602 238.6356 
1 1 1  -39    5   18 o  510.693  165.670   4.4621   3.0288   6.0977   4.1913   2.6746   4.3817  587.239  195.105  476.923  191.719 110.3156 273.5365 
1 1 1  -39    5   20 o  652.382  156.941   7.5421   3.1669   12.214   4.6934   3.6368   4.2910  817.135  187.420  501.087  193.256 316.0476 269.2104 
1 1 1  -39    5   22 o  286.013  132.787  -2.0334   2.8529  -6.4705   4.0473   2.3480   4.0219  285.150  139.095  452.132  183.001 -166.9817 229.8621 
1 1 1  -39    5   24 o  468.429  163.212   3.6632   2.9383   7.7024   4.5512   0.7763   3.8477  637.343  202.703  400.346  171.620 236.9968 265.5973 
1 1 1  -39    5   26 o  522.426  164.451   4.9161   3.0017   4.1608   4.5169   5.5135   4.0170  511.412  197.988  550.782  190.894 -39.37030 275.0267 
1 1 1  -39    5   28 o  601.352  166.133   6.7385   3.2319   10.676   4.4548   2.3633   4.6960  742.185  190.674  461.164  193.267 281.0204 271.4937 
1 1 1  -39    5   30 o  303.991  138.873  -1.1869   2.9479   1.8037   4.3063  -3.8243   4.0439  431.290  183.131  312.518  149.001 118.7726 236.0894 
1 1 1  -39    5   32 o  444.171  165.072   3.3673   3.0633   12.616   4.6953  -3.4871   4.0421  791.606  191.509  314.396  149.640 477.2093 243.0385 
1 1 1  -39    5   34 o  636.801  160.529   7.8655   3.2000   1.5958   4.9963   12.226   4.1668  432.042  190.234  786.810  173.767 -354.7675 257.6512 
1 1 1  -39    5   36 o  365.581  152.212   1.5771   2.8855   4.1936   4.3098  -0.5487   3.8847  473.545  190.218  348.919  159.407 124.6260 248.1805 
1 1 1  -39    5   38 o  776.661  147.570   11.691   3.4576   12.140   5.0183   11.285   4.7706  712.983  210.362  692.752  205.291 20.23090 293.9327 
1 1 1  -39    5   40 o  1245.10  108.034   27.704   4.1702   29.598   6.1918   26.132   5.6416  1184.70  171.936  1123.43  165.320 61.26794 238.5216 
1 1 1  -39    5   42 o  673.359  205.544   11.998   4.7305   16.726   6.7763   7.5037   6.6069  701.743  247.621  495.779  218.504 205.9636 330.2423 
1 1 1  -39    5   44 o  1248.22  138.293   32.003   5.3143   33.844   6.5645   28.501   9.0528  1190.21  181.918  772.023  284.372 418.1848 337.5820 
1 1 1  -39    6    1 o  539.027  184.537   4.9285   3.7490   6.0904   7.6390   4.5598   4.3028  631.435  253.385  534.331  196.167 97.10327 320.4456 
1 1 1  -39    6    3 o  407.112  167.561   1.3810   3.4412   3.0301   7.4692   0.9366   3.8773  568.416  241.260  412.564  174.394 155.8522 297.6906 
1 1 1  -39    6    5 o  671.855  168.632   8.0019   3.5421   9.5596   6.8265   7.4279   4.1435  715.154  248.794  642.413  191.542 72.74158 313.9854 
1 1 1  -39    6    7 o  836.129  132.837   11.798   3.3615   12.915   4.9247   10.824   4.5998  846.519  190.404  773.338  191.068 73.18085 269.7418 
1 1 1  -39    6    9 o  804.911  135.164   10.972   3.2859   8.2429   4.8495   13.288   4.4678  672.940  208.572  870.284  170.049 -197.3450 269.1074 
1 1 1  -39    6   11 o  719.795  162.740   9.0934   3.5818   14.411   4.3546  -2.0293   6.2982  913.456  157.962  448.651  204.193 464.8051 258.1599 
1 1 1  -39    6   13 o  650.981  152.609   7.3896   3.0567   4.6687   4.3580   10.024   4.2884  541.418  197.626  746.297  184.546 -204.8795 270.3949 
1 1 1  -39    6   15 o  306.898  137.786  -0.9477   2.7542  -3.3747   3.7664   1.8415   4.0377  315.773  148.529  443.679  181.926 -127.9059 234.8578 
1 1 1  -39    6   17 o  566.242  161.955   5.6439   3.0162   7.2845   4.3000   4.0546   4.2321  633.844  196.389  516.007  193.577 117.8372 275.7542 
1 1 1  -39    6   19 o  561.916  171.975   5.5899   3.3089   7.9999   4.9231   3.6041   4.4688  656.984  211.020  505.357  196.571 151.6273 288.3911 
1 1 1  -39    6   21 o  436.308  161.363   2.8376   2.9202   0.2189   4.1612   5.3786   4.0991  402.688  175.543  555.685  192.820 -152.9974 260.7579 
1 1 1  -39    6   23 o  537.693  167.077   5.1523   3.1097   6.2082   4.7088   4.3356   4.1412  586.466  206.474  516.338  191.920 70.12817 281.8952 
1 1 1  -39    6   25 o  560.510  163.906   5.6992   3.0587   3.2682   4.6672   7.5293   4.0495  491.164  197.718  632.081  189.559 -140.9177 273.9064 
1 1 1  -39    6   27 o  457.663  164.385   3.4788   2.9990   6.5799   4.3196   0.5927   4.1671  588.657  198.100  404.006  175.904 184.6509 264.9264 
1 1 1  -39    6   29 o  312.264  139.324  -0.4859   2.7696  -0.2459   4.3449  -0.6503   3.5944  388.922  173.945  349.269  157.059 39.65244 234.3595 
1 1 1  -39    6   31 o  458.356  164.610   3.6734   3.0071  -1.5986   4.7576   7.1808   3.8806  375.407  173.294  602.240  186.562 -226.8323 254.6291 
1 1 1  -39    6   33 o  862.167  131.359   13.263   3.4342   12.892   5.1997   13.550   4.5736  777.285  209.077  827.462  181.512 -50.17694 276.8748 
1 1 1  -39    6   35 o  351.616  158.093  -0.1157   3.6404   2.6953   4.6984  -4.3383   5.7585  446.038  190.384  361.704  173.875 84.33392 257.8346 
1 1 1  -39    6   37 o  241.519  119.502  -6.1046   3.3495  -7.5478   4.1024  -3.2187   5.8010  262.286  130.207  368.811  176.555 -106.5252 219.3756 
1 1 1  -39    6   39 o  651.354  190.011   9.6596   4.1150   8.9549   5.1543   10.898   6.8333  590.398  215.012  605.646  240.783 -15.24841 322.8108 
1 1 1  -39    6   41 o  423.464  186.487   3.1548   4.8033   4.5891   7.0872   1.9361   6.5324  463.664  213.114  423.523  198.053 40.14163 290.9335 
1 1 1  -39    6   43 o  607.537  218.665   11.427   5.3092   12.223   8.6935   10.954   6.7047  528.132  240.186  546.096  230.002 -17.96375 332.5512 
1 1 1  -39    7    2 o  566.940  199.542   5.4395   4.3976   0.0000   0.0000   5.4395   4.3976  ?   ?   566.940  199.542 0.000000 199.5423 
1 1 1  -39    7    4 o  533.343  185.153   4.7266   3.7798   2.0473   7.6892   5.5803   4.3404  556.873  240.697  572.396  198.426 -15.52246 311.9418 
1 1 1  -39    7    6 o  530.096  168.016   4.8209   3.1289   3.7753   4.4684   5.8269   4.3828  515.072  197.581  582.410  199.528 -67.33783 280.8018 
1 1 1  -39    7    8 o  450.216  166.789   2.9318   3.1225   0.0163   4.8573   4.9853   4.0764  431.526  188.842  548.347  192.172 -116.8206 269.4284 
1 1 1  -39    7   10 o  570.887  164.945   5.7024   3.1142  -0.5405   4.4735   11.573   4.3380  404.091  178.859  807.501  176.493 -403.4102 251.2767 
1 1 1  -39    7   12 o  547.107  179.967   5.1245   3.5694   6.1860   4.3633   2.9767   6.2063  595.315  199.105  538.745  223.679 56.56952 299.4580 
1 1 1  -39    7   14 o  381.320  155.696   1.2420   2.9416  -6.2899   4.3568   7.5519   3.9878  305.432  147.901  647.792  186.502 -342.3596 238.0289 
1 1 1  -39    7   16 o  1063.99  113.683   18.690   3.7288   14.454   5.4557   22.404   5.1081  887.259  201.029  1148.19  145.335 -260.9260 248.0621 
1 1 1  -39    7   18 f  470.792  166.328   3.5417   3.0583   1.4658   4.5435   5.2615   4.1354  449.729  189.372  555.286  193.615 -105.5575 270.8296 
1 1 1  -39    7   20 o  1485.87   98.061   35.976   4.5368   38.286   6.3623   33.586   6.4710  1506.21  136.378  1399.69  149.982 106.5221 202.7159 
1 1 1  -39    7   22 o  650.442  159.846   7.5737   3.2324   17.989   5.0843   0.5080   4.1876  1006.77  167.143  409.605  177.335 597.1649 243.6894 
1 1 1  -39    7   24 o  555.452  160.175   5.5441   2.9393   4.7619   4.4053   6.1718   3.9460  533.195  197.994  580.357  189.143 -47.16156 273.8184 
1 1 1  -39    7   26 o  672.148  154.828   8.1498   3.1914   14.309   4.8664   3.5018   4.2275  876.045  183.294  485.952  190.589 390.0933 264.4252 
1 1 1  -39    7   28 o  492.907  163.625   4.3385   2.9481   7.4687   4.3635   1.7096   3.9989  619.084  198.646  424.408  178.129 194.6759 266.8153 
1 1 1  -39    7   30 o  645.117  164.596   7.8291   3.3357   7.1701   5.3821   8.2402   4.2505  597.370  219.383  643.418  194.490 -46.04749 293.1808 
1 1 1  -39    7   32 o  1102.36  112.607   20.797   3.8324   21.715   5.4888   19.924   5.3533  1073.70  168.832  1023.45  173.226 50.25189 241.8917 
1 1 1  -39    7   34 o  438.975  170.071   3.2210   3.3349   0.0923   4.4384   7.2772   5.0537  387.531  174.371  580.639  212.683 -193.1078 275.0265 
1 1 1  -39    7   36 o  559.342  167.906   6.3194   3.1761   6.7772   4.9524   5.9996   4.1394  553.425  209.026  533.050  192.905 20.37494 284.4372 
1 1 1  -39    7   38 o  828.792  168.072   13.933   4.2125   13.723   5.4199   14.253   6.6947  754.901  217.453  714.933  246.514 39.96716 328.7168 
1 1 1  -39    7   40 o  588.172  210.099   8.9362   4.8926  -1.8520   7.5456   16.762   6.4266  405.890  196.067  771.928  240.242 -366.0387 310.0942 
1 1 1  -39    7   42 o  895.849  172.968   17.657   4.6763   18.987   5.7797   15.135   7.9570  854.081  215.980  617.365  254.528 236.7161 333.8141 
1 1 1  -39    8    1 o  658.477  205.007   7.9311   4.6793   0.0000   0.0000   7.9311   4.6793  ?   ?   658.477  205.007 0.000000 205.0067 
1 1 1  -39    8    3 o  546.329  189.161   5.0121   3.9440   3.5917   8.6186   5.3884   4.4356  603.915  257.815  566.571  200.296 37.34430 326.4768 
1 1 1  -39    8    5 o  420.847  174.808   1.3353   3.7930   6.6969   7.6963  -0.3848   4.3592  650.744  256.537  402.181  177.358 248.5627 311.8769 
1 1 1  -39    8    7 o  709.284  157.842   8.7852   3.4153   7.6136   4.9089   9.8843   4.7546  650.091  210.916  735.130  200.852 -85.03894 291.2505 
1 1 1  -39    8    9 o  791.002  146.806   10.737   3.5022   8.8573   5.0085   12.535   4.8992  694.906  211.357  833.402  191.729 -138.4957 285.3626 
1 1 1  -39    8   11 o  1155.52  108.139   21.856   3.8672   20.565   5.4129   23.202   5.5270  1091.34  163.428  1165.21  155.354 -73.87537 225.4853 
1 1 1  -39    8   13 o  763.257  158.085   10.158   3.6538   8.9218   4.5907   12.296   6.0353  698.780  199.783  804.969  228.699 -106.1896 303.6712 
1 1 1  -39    8   15 o  294.028  135.235  -1.7744   2.8604  -4.1033   4.3366   0.0190   3.8056  333.504  157.627  386.080  168.100 -52.57556 230.4430 
1 1 1  -39    8   17 o  504.924  166.650   4.3161   3.0597   7.2154   4.6438   2.0918   4.0675  631.168  205.161  450.677  183.441 180.4903 275.2120 
1 1 1  -39    8   19 o  864.713  125.372   12.593   3.2956   21.042   5.0723   6.4210   4.3353  1106.50  150.288  598.748  198.405 507.7498 248.9000 
1 1 1  -39    8   21 o  667.378  154.981   7.8898   3.1766   6.7270   4.6488   8.9082   4.3508  608.347  205.507  692.440  193.288 -84.09271 282.1230 
1 1 1  -39    8   23 o  681.537  148.517   8.1994   3.0799   12.333   4.8979   5.4961   3.9610  810.810  195.251  556.180  189.686 254.6298 272.2202 
1 1 1  -39    8   25 o  428.050  163.629   2.6169   3.0580  -2.6155   5.1360   5.4906   3.8062  384.759  178.467  551.611  185.954 -166.8519 257.7385 
1 1 1  -39    8   27 o  444.292  167.133   3.0453   3.1590   6.0092   4.7231   0.6461   4.2494  570.727  206.131  408.820  177.816 161.9068 272.2289 
1 1 1  -39    8   29 o  489.380  165.669   4.2805   3.0212   0.0844   4.5726   7.5316   4.0249  404.698  179.893  622.636  189.491 -217.9375 261.2825 
1 1 1  -39    8   31 o  437.434  164.007   3.1177   3.0370   6.4655   4.6536   0.6341   4.0082  571.937  204.840  392.379  171.633 179.5576 267.2404 
1 1 1  -39    8   33 o  1178.69  128.056   24.427   4.6502   21.545   6.0560   28.567   7.2592  1038.87  193.282  1186.85  202.605 -147.9790 280.0115 
1 1 1  -39    8   35 o  778.681  143.738   11.235   3.3756   3.3761   5.0147   17.746   4.5645  470.059  198.495  970.459  155.458 -500.3997 252.1258 
1 1 1  -39    8   37 o  569.390  189.375   7.0298   3.9484   4.2025   4.9298   12.088   6.5940  478.249  199.023  673.119  243.490 -194.8706 314.4794 
1 1 1  -39    8   39 o  519.708  189.537   6.0651   4.0073   4.0127   5.0250   9.6506   6.6417  461.749  196.986  585.642  235.823 -123.8934 307.2713 
1 1 1  -39    8   41 o  465.552  184.754   4.8674   4.0165   9.7500   4.9905  -4.1115   6.7675  602.311  212.505  365.479  178.622 236.8326 277.6047 
1 1 1  -39    9    2 o  506.500  176.727   4.1866   3.4457   5.9196   7.8031   3.7668   3.8404  633.481  255.427  498.892  184.942 134.5886 315.3510 
1 1 1  -39    9    4 o  460.446  168.117   3.1760   3.1540   1.4331   4.9032   4.4063   4.1194  464.510  196.220  528.014  192.230 -63.50342 274.6904 
1 1 1  -39    9    6 o  545.920  190.553   4.9438   4.0061   9.2625   7.8336   3.4143   4.6618  713.858  264.233  509.624  200.054 204.2336 331.4225 
1 1 1  -39    9    8 o  491.496  174.752   3.8087   3.3811   3.4579   4.8636   4.1369   4.7035  516.486  203.831  532.443  203.077 -15.95752 287.7277 
1 1 1  -39    9   10 o  387.467  159.867   1.1318   3.1420  -3.6372   4.4697   5.7905   4.4176  347.970  163.072  582.193  200.277 -234.2231 258.2698 
1 1 1  -39    9   12 o  587.741  165.606   6.0689   3.1783  -0.5951   4.8926   10.934   4.1804  420.320  186.495  785.231  174.546 -364.9114 255.4344 
1 1 1  -39    9   14 o  578.747  168.162   5.8907   3.2287   1.2933   4.9121   9.3879   4.2842  461.082  195.674  720.275  187.964 -259.1928 271.3277 
1 1 1  -39    9   16 o  828.694  130.747   11.602   3.2802   9.4350   4.8403   13.442   4.4607  714.214  205.427  873.546  169.193 -159.3324 266.1328 
1 1 1  -39    9   18 o  617.081  159.584   6.7368   3.1065   9.2651   4.9356   5.0780   3.9978  704.724  208.806  547.160  190.390 157.5638 282.5744 
1 1 1  -39    9   20 o  358.543  150.097   0.7746   2.8277   2.7843   4.4863  -0.5501   3.6422  481.211  193.800  362.812  160.948 118.3993 251.9181 
1 1 1  -39    9   22 f  542.762  162.878   5.2264   2.9890   7.4962   4.4746   3.3974   4.0167  635.115  200.882  484.747  186.971 150.3678 274.4299 
1 1 1  -39    9   24 o  608.814  163.947   6.7112   3.1951   12.357   4.6302   1.5792   4.4145  816.630  185.322  442.045  186.428 374.5852 262.8680 
1 1 1  -39    9   26 f  708.020  156.829   9.0314   3.3853   16.449   5.0700   3.0640   4.5475  946.700  177.555  481.706  194.724 464.9945 263.5208 
1 1 1  -39    9   28 o  314.178  139.738  -0.4547   2.7629  -3.2041   4.5651   1.1346   3.4708  348.621  163.833  390.680  165.064 -42.05899 232.5668 
1 1 1  -39    9   30 o  437.036  165.217   3.0098   3.0958   5.4449   4.8709   1.3595   4.0099  545.419  206.986  412.772  176.027 132.6466 271.7142 
1 1 1  -39    9   32 o  365.492  161.630   0.1301   3.6453   1.4126   4.7100  -1.7857   5.7567  430.830  187.296  405.805  188.477 25.02530 265.7129 
1 1 1  -39    9   34 o  537.199  190.250   5.7535   4.0036   7.0787   5.0000   3.3859   6.6831  578.374  211.597  503.203  220.826 75.17133 305.8389 
1 1 1  -39    9   36 o  678.761  184.165   9.5751   4.0138   12.327   5.2851   5.8247   6.1697  736.719  215.461  533.249  222.342 203.4702 309.6118 
1 1 1  -39    9   38 o  972.766  150.735   18.157   4.4428   20.306   5.6896   14.799   7.1119  974.705  193.245  722.094  253.788 252.6111 318.9862 
1 1 1  -39    9   40 o  625.190  197.290   9.2983   4.3179   12.446   5.4199   3.8304   7.1440  691.008  221.355  470.028  215.273 220.9805 308.7725 
1 1 1  -39   10    1 o  362.592  157.667  -0.0374   3.3391  -3.7161   9.0446   0.5431   3.5930  510.016  236.660  390.013  166.480 120.0034 289.3498 
1 1 1  -39   10    3 o  702.947  152.537   8.5885   3.2610   4.0741   4.7514   12.609   4.4838  530.812  203.712  843.931  175.402 -313.1194 268.8203 
1 1 1  -39   10    5 o  651.322  168.135   7.4964   3.4525   4.4218   5.3261   9.7246   4.5340  554.356  214.886  731.926  194.510 -177.5701 289.8450 
1 1 1  -39   10    7 o  302.237  139.913  -2.2049   3.1339   4.9282   8.5684  -3.3065   3.3672  630.975  262.465  295.528  139.439 335.4474 297.2057 
1 1 1  -39   10    9 o  406.009  155.992   2.0789   2.7880   6.0571   4.4739  -0.4467   3.5648  592.815  201.598  364.585  160.602 228.2301 257.7490 
1 1 1  -39   10   11 o  254.789  121.558  -3.2807   2.7008  -6.7047   4.3694  -1.1639   3.4356  301.713  146.575  341.203  153.480 -39.48999 212.2276 
1 1 1  -39   10   13 o  773.282  143.954   10.245   3.3574   1.4396   4.8066   18.634   4.6915  461.587  194.593  1047.05  147.158 -585.4622 243.9717 
1 1 1  -39   10   15 o  275.288  130.099  -3.0164   2.9529   1.1712   4.5081  -6.1635   3.9080  443.520  187.794  283.928  138.093 159.5916 233.1017 
1 1 1  -39   10   17 o  613.402  161.951   6.6516   3.1564   8.2679   4.5615   5.1667   4.3722  671.466  201.146  556.641  198.637 114.8257 282.6943 
1 1 1  -39   10   19 o  1072.51  119.138   19.130   3.9334   20.081   6.0145   18.419   5.1994  1055.72  188.877  1024.04  167.977 31.68591 252.7664 
1 1 1  -39   10   21 o  332.383  147.747  -0.6166   3.0843  -4.4009   4.9264   1.8230   3.9554  354.229  167.599  436.551  179.656 -82.32193 245.6949 
1 1 1  -39   10   23 o  635.118  166.782   7.2920   3.3593   10.648   5.0319   4.5934   4.5121  746.374  207.699  532.510  199.857 213.8644 288.2389 
1 1 1  -39   10   25 o  409.169  160.958   2.1160   3.0237   1.1773   5.0445   2.6424   3.7776  452.261  195.219  450.822  179.090 1.438354 264.9220 
1 1 1  -39   10   27 o  637.571  159.673   7.4075   3.1807   9.9958   4.7764   5.3450   4.2636  715.477  203.515  546.546  196.035 168.9309 282.5737 
1 1 1  -39   10   29 o  491.223  167.990   4.2789   3.1067   4.6287   4.8064   4.0279   4.0716  524.966  203.955  494.912  188.901 30.05441 277.9951 
1 1 1  -39   10   31 o  498.299  180.872   4.4345   3.6431   5.3827   4.9386   3.3026   5.3959  542.050  207.767  494.411  207.184 47.63913 293.4147 
1 1 1  -39   10   33 o  879.551  159.705   14.411   4.2364   15.599   5.1701   11.982   7.3906  884.914  192.100  702.342  257.208 182.5712 321.0264 
1 1 1  -39   10   35 o  594.358  191.830   7.3550   4.0647   9.7304   5.0352   2.9109   6.8871  662.506  213.472  494.331  220.192 168.1752 306.6841 
1 1 1  -39   10   37 o  646.508  194.438   9.0963   4.2562   10.227   5.2817   7.0016   7.1877  657.431  219.046  554.348  236.018 103.0825 322.0031 
1 1 1  -39   10   39 o  322.997  145.877  -0.1717   3.1403   2.9046   4.8713  -2.3591   4.1077  438.654  190.587  321.399  152.350 117.2549 243.9963 
1 1 1  -39   11    2 o  322.402  145.166  -1.1249   3.0823  -1.1878   4.7672  -1.0797   4.0405  403.578  181.229  373.190  167.265 30.38815 246.6204 
1 1 1  -39   11    4 o  593.527  164.514   6.1794   3.1635   3.4628   4.9272   8.0846   4.1263  518.571  204.999  670.704  188.594 -152.1331 278.5536 
1 1 1  -39   11    6 o  257.534  123.907  -4.0586   2.9403   5.0064   4.6008 -10.3172   3.8229  558.732  203.193  238.403  119.475 320.3289 235.7146 
1 1 1  -39   11    8 o  536.918  189.105   4.6974   3.9503   0.0000   0.0000   4.6974   3.9503  ?   ?   536.918  189.105 0.000000 189.1046 
1 1 1  -39   11   10 o  351.786  151.034   0.1881   2.9881  -1.6202   5.0857   1.1415   3.6927  409.823  185.316  412.211  171.956 -2.388428 252.8057 
1 1 1  -39   11   12 o  812.872  145.031   11.293   3.5561   14.362   5.7049   9.3428   4.5477  883.966  209.340  717.248  196.625 166.7171 287.2012 
1 1 1  -39   11   14 o  490.633  167.309   3.9390   3.0815   3.1478   4.6264   4.5699   4.1314  500.759  198.424  534.221  192.812 -33.46130 276.6746 
1 1 1  -39   11   16 o  773.066  141.715   10.234   3.3040   14.922   5.5256   7.6250   4.1221  903.858  200.487  649.881  190.347 253.9764 276.4541 
1 1 1  -39   11   18 o  878.836  126.596   12.979   3.3832   14.100   5.3265   12.221   4.3803  876.855  198.607  828.438  174.376 48.41766 264.2947 
1 1 1  -39   11   20 o  538.410  165.850   5.0781   3.0717   5.1763   4.7478   5.0073   4.0284  559.972  205.989  543.884  191.014 16.08722 280.9232 
1 1 1  -39   11   22 o  678.999  154.362   8.1535   3.2076   8.0069   4.7621   8.2751   4.3397  654.615  207.256  667.549  195.244 -12.93353 284.7373 
1 1 1  -39   11   24 o  518.797  188.660   4.4759   3.9662   3.1344   4.8860   7.0677   6.7914  497.222  201.545  629.651  243.048 -132.4286 315.7413 
1 1 1  -39   11   26 o  304.387  139.583  -1.5546   3.0164   5.9690   4.7232  -6.7366   3.9199  574.948  206.319  274.238  134.431 300.7106 246.2502 
1 1 1  -39   11   28 o  708.417  154.124   9.0488   3.3216   6.5408   5.1369   10.851   4.3543  590.548  214.713  756.976  185.220 -166.4274 283.5635 
1 1 1  -39   11   30 o  463.255  184.361   3.1009   4.0098   9.6005   4.9794  -8.8899   6.7632  688.235  211.021  365.674  178.685 322.5614 276.5107 
1 1 1  -39   11   32 o  402.465  172.149   1.2490   3.8562  -0.0531   4.7697   3.7062   6.5521  404.844  181.573  521.512  223.769 -116.6685 288.1686 
1 1 1  -39   11   34 o  676.719  184.338   9.1865   4.0120   9.4070   5.1564   8.8483   6.3866  657.769  216.303  626.283  237.171 31.48535 320.9940 
1 1 1  -39   11   36 o  656.897  195.342   9.1838   4.3138   12.751   5.3351   2.4469   7.3316  755.698  215.133  489.592  221.843 266.1068 309.0253 
1 1 1  -39   11   38 o  875.058  160.779   14.986   4.2430   16.305   7.5824   14.385   5.1197  754.817  262.230  806.227  202.944 -51.41046 331.5881 
1 1 1  -39   12    1 o  736.119  157.604   9.4387   3.5231   7.0765   5.1312   11.545   4.8460  633.051  215.896  797.529  195.551 -164.4786 291.2921 
1 1 1  -39   12    3 o  579.328  175.442   5.8668   3.4564   16.427   5.2556  -2.1822   4.5883  965.278  180.518  378.159  172.949 587.1187 249.9955 
1 1 1  -39   12    5 o  286.180  132.160  -1.9207   2.7713  -4.8149   4.2976   0.1397   3.6260  322.715  153.791  382.599  165.329 -59.88339 225.7998 
1 1 1  -39   12    7 o  363.406  154.946   0.3672   3.1060  -1.5220   4.7007   1.8310   4.1379  395.752  178.631  449.565  184.236 -53.81305 256.6158 
1 1 1  -39   12    9 o  458.686  175.532   2.8002   3.5215  -0.2714   8.1052   3.5149   3.9097  534.633  238.455  494.501  185.951 40.13159 302.3882 
1 1 1  -39   12   11 o  935.506  135.039   14.705   3.8412   11.136   5.8852   17.354   5.0700  771.541  227.856  1000.53  167.770 -228.9851 282.9575 
1 1 1  -39   12   13 o  457.622  173.267   2.8864   3.4082  -7.5694   5.5057   9.3823   4.3396  344.903  166.825  721.516  189.605 -376.6134 252.5487 
1 1 1  -39   12   15 o  858.029  177.379   13.043   4.6082   17.273   5.6964   5.0326   7.8389  981.582  192.214  618.354  253.512 363.2281 318.1422 
1 1 1  -39   12   17 o  355.956  153.890   0.0817   3.1446  -1.4985   4.6684   1.3942   4.2547  392.682  177.559  439.580  184.076 -46.89780 255.7565 
1 1 1  -39   12   19 o  723.301  157.426   9.1826   3.4642   3.8637   5.1304   13.640   4.6965  530.622  209.367  874.339  177.605 -343.7171 274.5505 
1 1 1  -39   12   21 o  212.958  105.869  -6.4498   2.7500   0.6731   4.5740 -10.4820   3.4414  431.102  185.989  216.089  108.941 215.0134 215.5460 
1 1 1  -39   12   23 o  562.706  170.552   5.6534   3.2654   7.2371   5.0770   4.5361   4.2645  626.948  214.748  528.141  195.063 98.80719 290.1147 
1 1 1  -39   12   25 o  345.483  149.955   0.0952   3.0096   1.0543   4.5387  -0.6575   4.0206  434.272  186.286  375.340  167.637 58.93265 250.6090 
1 1 1  -39   12   27 o  599.207  173.356   6.6131   3.4379   8.7602   5.4847   5.2235   4.4123  666.915  223.230  546.401  198.942 120.5143 299.0149 
1 1 1  -39   12   29 o  258.556  126.851  -6.1315   3.5137  -6.9135   4.2755  -4.5044   6.1669  288.217  141.097  393.509  186.572 -105.2912 233.9179 
1 1 1  -39   12   31 o  281.156  136.073  -4.8833   3.6760 -10.0182   4.5449   4.8316   6.2513  269.629  134.373  547.150  225.594 -277.5204 262.5814 
1 1 1  -39   12   33 o  387.252  170.105   0.5014   3.9740   2.3284   4.9727  -2.7279   6.6111  459.060  195.901  419.366  197.103 39.69382 277.8973 
1 1 1  -39   12   35 o  449.235  171.632   3.4357   3.3633   5.2795   4.7755   1.6211   4.7376  524.099  203.387  430.276  187.445 93.82336 276.5892 
1 1 1  -39   13    2 o  393.637  163.011   1.1000   3.2841   5.2834   4.6703  -2.9916   4.6188  569.738  205.085  366.093  169.609 203.6446 266.1331 
1 1 1  -39   13    4 o  507.639  171.582   4.2330   3.2407   0.5871   4.6519   7.6707   4.5171  437.882  188.235  654.867  201.019 -216.9851 275.3925 
1 1 1  -39   13    6 o  459.581  169.809   3.0478   3.2324   7.4785   5.1970   0.2524   4.1279  650.313  217.298  408.731  176.512 241.5825 279.9549 
1 1 1  -39   13    8 o  724.267  156.610   9.0882   3.4483   6.1376   4.9442   11.883   4.8117  603.219  211.626  814.236  191.871 -211.0172 285.6577 
1 1 1  -39   13   10 o  573.277  193.974   5.5649   4.1417  -1.1095   9.1243   7.2970   4.6482  551.241  248.837  641.312  204.944 -90.07153 322.3690 
1 1 1  -39   13   12 o  439.785  169.717   2.4563   3.3109   5.7568   5.5089   0.5900   4.1425  598.381  221.567  417.186  178.436 181.1949 284.4841 
1 1 1  -39   13   14 o  323.839  147.090  -1.4975   3.2472  -3.0332   4.9784  -0.3605   4.2838  381.507  176.516  400.553  176.264 -19.04669 249.4529 
1 1 1  -39   13   16 o  667.795  194.570   8.0531   4.3171   3.9845   5.2504   16.545   7.5853  540.500  212.266  919.389  254.712 -378.8893 331.5648 
1 1 1  -39   13   18 o  478.319  173.725   3.5109   3.3616  -2.2328   5.5641   6.8125   4.2186  416.947  190.598  617.515  195.022 -200.5678 272.6927 
1 1 1  -39   13   20 o  703.185  161.372   8.7293   3.4778   14.011   5.3981   4.9814   4.5474  871.895  201.729  552.585  201.848 319.3103 285.3721 
1 1 1  -39   13   22 o  411.436  163.398   1.9397   3.1437   0.0691   4.9230   3.2278   4.0852  431.011  189.328  483.831  188.015 -52.81937 266.8233 
1 1 1  -39   13   24 o  316.879  142.862  -1.0371   2.9965   2.2483   4.8284  -3.0951   3.8214  475.089  197.274  320.892  150.510 154.1968 248.1337 
1 1 1  -39   13   26 o  390.491  170.210   0.2376   3.9114   1.6864   4.7183  -2.9458   6.9940  454.899  192.340  447.348  207.763 7.550812 283.1259 
1 1 1  -39   13   28 o  541.297  200.108   5.0687   4.4899   3.9491   5.6246   7.0353   7.4547  528.617  215.502  625.133  250.503 -96.51636 330.4437 
1 1 1  -39   13   30 o  313.105  147.628  -3.0993   3.7620   1.7037   4.5013 -14.2281   6.8517  441.037  187.248  329.552  164.357 111.4848 249.1483 
1 1 1  -39   13   32 o  630.013  173.208   7.5656   3.5230   5.2686   5.4272   9.2386   4.6316  545.358  215.287  676.739  202.674 -131.3812 295.6778 
1 1 1  -39   13   34 o  380.003  159.722   1.3342   3.2227  -1.8846   4.8881   3.8091   4.2862  374.256  173.775  481.206  190.891 -106.9497 258.1412 
1 1 1  -39   14    1 o  735.838  171.165   9.5339   3.8694   5.2526   6.3912   12.011   4.8617  600.291  234.642  817.397  193.034 -217.1064 303.8401 
1 1 1  -39   14    3 o  500.452  180.272   3.8606   3.6092   4.4722   6.4791   3.5854   4.3459  584.344  233.756  509.276  194.974 75.06833 304.3955 
1 1 1  -39   14    5 o  687.821  182.844   8.3993   4.0057   8.1897   7.0995   8.4972   4.8517  688.253  252.085  686.948  207.820 1.304688 326.7047 
1 1 1  -39   14    7 o  482.935  179.095   3.3765   3.6021  -0.8561   5.7709   6.0781   4.6105  452.628  201.593  598.452  204.646 -145.8245 287.2628 
1 1 1  -39   14    9 o  541.123  181.091   4.8848   3.6094   8.9397   5.8520   2.3950   4.5856  702.655  230.400  482.029  195.298 220.6266 302.0362 
1 1 1  -39   14   11 o  320.292  146.490  -1.8160   3.2923   1.7493   6.5406  -3.0259   3.8102  527.205  224.819  325.927  152.028 201.2780 271.3965 
1 1 1  -39   14   13 o  889.943  160.724   13.655   4.3140   2.0649   7.0591   20.563   5.4501  546.978  233.413  1094.50  164.084 -547.5222 285.3161 
1 1 1  -39   14   15 o  708.273  172.876   8.8660   3.8004   11.947   6.5369   7.2930   4.6709  793.671  241.479  640.323  205.530 153.3483 317.1034 
1 1 1  -39   14   17 o  410.515  181.431  -0.4841   4.5864  -4.5404   5.9228   5.5912   7.2484  398.713  187.128  621.051  247.647 -222.3379 310.3966 
1 1 1  -39   14   19 o  648.668  181.005   7.5393   3.8161   4.2918   6.5858   9.1809   4.6823  576.273  233.850  707.654  201.573 -131.3819 308.7352 
1 1 1  -39   14   21 o  308.964  144.578  -2.8711   3.4912   4.0351   5.7887  -6.8191   4.3767  550.178  220.646  299.570  145.802 250.6078 264.4669 
1 1 1  -39   14   23 o  689.890  215.025   8.9592   5.1462   3.4556   7.6459   13.517   6.9582  574.044  243.891  822.219  248.909 -248.1750 348.4805 
1 1 1  -39   14   25 o  354.773  165.053  -2.8658   4.4448  -1.9069   5.6921  -4.3642   7.1151  421.268  192.652  436.352  204.892 -15.08386 281.2392 
1 1 1  -39   14   27 o  990.544  200.067   18.437   5.9917   10.608   8.4197   26.470   8.5284  717.701  272.190  1146.41  245.014 -428.7069 366.2228 
1 1 1  -39   14   29 o  599.224  204.506   6.7790   4.6041   7.4767   7.8328   6.4107   5.6911  635.860  256.078  592.838  224.034 43.02191 340.2458 
1 1 1  -39   14   31 o  494.666  185.755   4.1005   3.8989   4.2734   6.5078   4.0038   4.8695  543.180  227.571  508.487  202.911 34.69275 304.8962 
1 1 1  -39   15    2 o  270.263  130.972  -5.2711   3.4322  -9.3423   6.0095  -3.3002   4.1812  349.509  170.269  340.672  159.024 8.837433 232.9810 
1 1 1  -39   15    4 o  737.933  177.449   9.6000   4.0499   8.5787   6.3758   10.291   5.2436  694.696  240.512  751.665  213.036 -56.96918 321.2945 
1 1 1  -39   15    6 o  419.288  172.146   1.4147   3.6210  -1.7336   5.6875   3.5606   4.6956  434.876  196.370  519.366  201.643 -84.49008 281.4623 
1 1 1  -39   15    8 o  433.986  176.102   1.7514   3.7345   11.394   6.4114  -3.2001   4.5944  782.714  239.360  363.117  168.558 419.5978 292.7538 
1 1 1  -39   15   10 o  360.717  158.349  -0.4177   3.4389  -0.2957   6.4409  -0.4664   4.0671  487.136  215.164  390.332  171.757 96.80420 275.3111 
1 1 1  -39   15   12 o  332.936  151.184  -1.5907   3.4277  -9.5875   6.6400   1.3145   4.0022  372.807  181.016  431.636  179.449 -58.82867 254.8893 
1 1 1  -39   15   14 o  481.277  182.361   3.1996   3.7772   5.7642   6.2065   1.6909   4.7602  612.005  233.312  469.240  195.447 142.7653 304.3580 
1 1 1  -39   15   16 o  611.015  185.796   6.5721   3.8706  -2.4571   6.4047   11.767   4.8581  448.172  204.724  808.458  194.316 -360.2859 282.2595 
1 1 1  -39   15   18 o  693.053  218.140   8.7925   5.2818   10.877   6.8612   5.7600   8.2750  757.303  249.534  642.701  261.631 114.6021 361.5492 
1 1 1  -39   15   20 o  686.935  229.219   8.6925   5.7828   7.8579   7.9069   9.6524   8.4795  679.002  262.206  725.113  273.599 -46.11151 378.9573 
1 1 1  -39   15   22 o  698.809  217.100   9.1224   5.2507   16.526   6.8184  -1.6653   8.2308  925.657  234.864  511.060  232.918 414.5965 330.7744 
1 1 1  -39   15   24 o  417.451  184.557  -0.2573   4.7497   0.6425   6.0706  -1.6775   7.6266  480.993  210.787  490.238  223.730 -9.245605 307.3857 
1 1 1  -39   15   26 o  583.161  208.157   6.0102   4.8017  -5.8460   6.6894   18.612   6.8966  404.119  192.388  976.030  229.517 -571.9113 299.4849 
1 1 1  -39   15   28 o  519.308  205.209   3.9968   4.9356   3.6115   7.5262   4.2876   6.5376  562.153  240.478  557.309  230.328 4.843750 332.9878 
1 1 1  -39   16    3 o  436.246  172.755   2.0982   3.5048  -4.6229   5.0302   8.4398   4.8861  362.087  170.718  686.547  208.748 -324.4597 269.6667 
1 1 1  -39   16    5 o  527.006  180.694   4.5060   3.5945   3.3591   5.1286   5.6133   5.0394  526.272  208.796  590.740  212.988 -64.46722 298.2612 
1 1 1  -39   16    7 o  375.991  163.866  -0.1990   3.6242  -1.2224   5.5289   0.5721   4.7990  438.450  196.148  445.873  191.415 -7.422882 274.0689 
1 1 1  -39   16    9 o  429.022  171.223   1.9083   3.4678   5.1244   4.8832  -1.3637   4.9254  572.756  209.175  410.967  184.403 161.7888 278.8519 
1 1 1  -39   16   11 o  342.015  154.000  -1.2995   3.4691  -4.2140   5.3833   0.7706   4.5368  383.909  179.611  439.929  187.412 -56.01938 259.5834 
1 1 1  -39   16   13 o  876.631  160.143   13.195   4.2339   12.001   7.8534   13.684   5.0269  797.086  267.117  879.564  188.212 -82.47839 326.7651 
1 1 1  -39   16   15 o  251.765  123.817  -6.6689   3.4120  -5.6007   6.5062  -7.0742   4.0073  410.531  193.739  279.973  136.963 130.5585 237.2630 
1 1 1  -39   16   17 o  319.721  148.264  -2.5435   3.5417   4.0886   6.6183  -5.2050   4.1925  578.057  234.478  312.416  149.699 265.6413 278.1902 
1 1 1  -39   16   19 o  704.206  220.356   9.1084   5.3985   8.2641   6.8992   10.442   8.6697  683.772  248.798  749.898  277.898 -66.12640 372.9982 
1 1 1  -39   16   21 o  507.052  204.928   2.9787   5.0355   5.1395   6.2974  -0.8525   8.3853  591.194  232.374  529.860  238.925 61.33374 333.2910 
1 1 1  -39   16   23 o  709.955  220.614   9.4714   5.4218   12.985   6.9523   4.0178   8.6615  811.449  249.437  608.550  259.091 202.8986 359.6481 
1 1 1  -39   16   25 o  459.002  186.998   2.2683   4.2315   2.6246   7.5206   2.1033   5.1186  555.282  239.029  482.230  201.916 73.05139 312.8977 
1 1 1  -39   17   10 o  398.603  167.681   0.7623   3.5567  -0.8737   4.9950   2.4449   5.0656  423.929  188.251  501.367  204.467 -77.43799 277.9303 
1 1 1  -39   17   12 f  799.692  202.295   11.477   5.0692   25.782   10.248   6.8424   5.8328  1146.43  286.323  640.927  229.352 505.4991 366.8558 
1 1 1  -39   17   14 o  490.065  179.345   3.5468   3.5924   9.9125   4.9879  -3.3141   5.1782  741.334  206.964  388.392  179.815 352.9419 274.1670 
1 1 1  -39   17   16 o  718.286  205.389   9.3081   4.8516   2.6320   5.5504   30.926   9.9879  518.609  213.051  1277.93  258.484 -759.3184 334.9699 
1 1 1  -39   17   18 o  367.680  170.136  -2.9621   4.6268  -0.5563   5.5150  -8.6792   8.5017  447.946  198.414  446.712  213.818 1.234344 291.6958 
1 1 1  -38    0    2 o  620.342  308.635   10.116   7.2670   10.116   7.2670   10.116   7.2670  620.342  308.635  620.342  308.635 -0.000000 0.000000 
1 1 1  -38    0    8 o  379.454  244.095   0.9420   6.6530   0.9420   6.6530   0.9420   6.6530  379.454  244.095  379.454  244.095 -0.000000 0.000000 
1 1 1  -38    0   10 o  240.633  173.030 -10.2029   6.3517 -10.2029   6.3517 -10.2029   6.3517  240.633  173.030  240.633  173.030 -0.000000 0.000000 
1 1 1  -38    0   12 o  268.997  190.440  -7.6466   6.6218  -7.6466   6.6218  -7.6466   6.6218  268.997  190.440  268.997  190.440 -0.000000 0.000000 
1 1 1  -38    0   14 o  564.110  302.211   8.1562   7.3218   8.1562   7.3218   8.1562   7.3218  564.110  302.211  564.110  302.211 -0.000000 0.000000 
1 1 1  -38    0   16 o  916.838  185.799   15.113   4.7229   15.113   4.7229   15.113   4.7229  916.838  185.799  916.838  185.799 -0.000000 0.000000 
1 1 1  -38    0   18 o  189.161  135.148  -5.2794   3.6246  -5.2794   3.6246  -5.2794   3.6246  189.161  135.148  189.161  135.148 -0.000000 0.000000 
1 1 1  -38    0   20 o  1008.30  171.918   17.754   4.9540   17.754   4.9540   17.754   4.9540  1008.30  171.918  1008.30  171.918 -0.000000 0.000000 
1 1 1  -38    0   22 o  173.375  125.104  -6.1772   3.4576  -6.1772   3.4576  -6.1772   3.4576  173.375  125.104  173.375  125.104 -0.000000 0.000000 
1 1 1  -38    0   24 o  259.722  176.404  -1.9739   4.3322  -1.9739   4.3322  -1.9739   4.3322  259.722  176.404  259.722  176.404 -0.000000 0.000000 
1 1 1  -38    0   26 o  341.503  204.427   2.2303   3.8972   2.2303   3.8972   2.2303   3.8972  341.503  204.427  341.503  204.427 -0.000000 0.000000 
1 1 1  -38    0   28 o  358.281  213.924   2.5544   4.2456   2.5544   4.2456   2.5544   4.2456  358.281  213.924  358.281  213.924 -0.000000 0.000000 
1 1 1  -38    0   30 o  259.629  173.539  -0.9894   3.8861  -0.9894   3.8861  -0.9894   3.8861  259.629  173.539  259.629  173.539 -0.000000 0.000000 
1 1 1  -38    0   32 o  660.846  225.718   9.3769   4.1925   9.3769   4.1925   9.3769   4.1925  660.846  225.718  660.846  225.718 -0.000000 0.000000 
1 1 1  -38    0   34 o  1318.60  139.731   29.095   5.6211   29.095   5.6211   29.095   5.6211  1318.60  139.731  1318.60  139.731 -0.000000 0.000000 
1 1 1  -38    0   36 o  191.115  136.466  -5.1241   3.6748  -5.1241   3.6748  -5.1241   3.6748  191.115  136.466  191.115  136.466 -0.000000 0.000000 
1 1 1  -38    0   38 o  1125.40  249.785   24.532   7.6939   24.532   7.6939   24.532   7.6939  1125.40  249.785  1125.40  249.785 -0.000000 0.000000 
1 1 1  -38    0   40 o  845.792  228.072   14.347   5.2203   14.347   5.2203   14.347   5.2203  845.792  228.072  845.792  228.072 -0.000000 0.000000 
1 1 1  -38    0   42 o  281.243  183.177   0.1717   3.9066   0.1717   3.9066   0.1717   3.9066  281.243  183.177  281.243  183.177 -0.000000 0.000000 
1 1 1  -38    0   44 o  2316.66  136.977   88.712   9.8569   88.712   9.8569   88.712   9.8569  2316.66  136.977  2316.66  136.977 -0.000000 0.000000 
1 1 1  -38    0   46 o  882.232  214.685   15.241   5.1388   15.241   5.1388   15.241   5.1388  882.232  214.685  882.232  214.685 -0.000000 0.000000 
1 1 1  -38    1    1 o  685.655  214.872   8.5483   5.1310   14.038   7.1005   2.5492   7.4228  853.287  249.793  563.734  239.927 289.5533 346.3541 
1 1 1  -38    1    3 o  402.199  180.009  -1.1539   4.6619  -5.5254   6.6656   3.0321   6.5226  417.259  196.666  553.597  229.532 -136.3385 302.2624 
1 1 1  -38    1    5 o  665.268  240.015   7.5069   6.4010   0.0000   0.0000   7.5069   6.4010  ?   ?   665.268  240.015 0.000000 240.0152 
1 1 1  -38    1    7 o  589.718  229.035   4.8706   6.0596   4.8706   6.0596   0.0000   0.0000  589.718  229.035  ?   ?  0.000000 229.0348 
1 1 1  -38    1    9 o  822.637  196.262   12.042   4.9849   14.261   6.6650   9.2252   7.5097  876.970  237.055  725.571  260.177 151.3994 351.9761 
1 1 1  -38    1   11 f  1309.13  151.347   28.705   6.0896   27.185   8.2291   30.545   9.0540  1230.09  221.808  1298.61  231.133 -68.52112 320.3456 
1 1 1  -38    1   13 o  977.821  180.893   16.628   5.3346   8.8331   7.1670   26.310   7.9881  711.772  254.283  1210.96  218.715 -499.1854 335.4049 
1 1 1  -38    1   15 o  467.621  159.806   3.4637   2.8114   4.5633   3.8863   2.2564   4.0721  534.506  187.619  462.129  185.158 72.37643 263.5983 
1 1 1  -38    1   17 o  1183.13  107.853   22.800   3.9517   21.647   5.5766   23.962   5.6005  1125.60  162.966  1190.28  153.867 -64.68396 224.1268 
1 1 1  -38    1   19 o  734.304  149.990   9.2862   3.3321   9.5043   4.5736   9.0394   4.8646  724.967  196.542  704.869  206.873 20.09723 285.3508 
1 1 1  -38    1   21 o  1377.99  101.389   30.877   4.3440   30.183   6.2622   31.521   6.0311  1331.71  152.953  1367.99  142.907 -36.28381 209.3252 
1 1 1  -38    1   23 o  612.656  155.764   6.6212   2.9947   7.4502   4.2370   5.7935   4.2334  639.244  194.393  575.766  196.103 63.47791 276.1250 
1 1 1  -38    1   25 f  750.890  136.371   9.7199   3.0883   13.489   4.4433   6.1971   4.2955  868.261  169.514  586.414  197.546 281.8478 260.3059 
1 1 1  -38    1   27 o  491.250  162.629   4.1995   2.9131   5.1945   4.2917   3.3494   3.9669  544.836  196.536  477.617  185.364 67.21927 270.1595 
1 1 1  -38    1   29 o  548.758  164.141   5.5301   3.0393   4.8473   4.4444   6.1299   4.1654  528.492  198.352  571.003  194.522 -42.51086 277.8166 
1 1 1  -38    1   31 o  824.337  132.137   11.948   3.2955   7.8549   4.9068   15.311   4.4480  620.932  211.125  912.080  161.664 -291.1484 265.9117 
1 1 1  -38    1   33 o  621.810  157.126   7.3193   3.0606   10.568   4.3636   4.1736   4.2939  722.769  190.220  489.758  192.081 233.0113 270.3304 
1 1 1  -38    1   35 o  1083.48  135.946   21.245   4.5106   24.524   8.0179   19.727   5.4559  1003.71  254.697  993.997  181.998 9.710754 313.0395 
1 1 1  -38    1   37 o  1020.55  115.320   18.437   3.6205   18.871   5.1194   18.004   5.1210  964.666  175.965  934.979  181.463 29.68689 252.7696 
1 1 1  -38    1   39 o  1429.13  116.153   36.715   5.1528   38.964   9.4284   35.757   6.1530  1210.24  256.753  1360.15  146.798 -149.9077 295.7567 
1 1 1  -38    1   41 o  477.729  167.552   5.0421   3.0991   1.5081   4.3871   8.5625   4.3786  384.234  173.079  579.450  199.387 -195.2157 264.0291 
1 1 1  -38    1   43 o  519.655  168.633   6.3710   3.1379   3.7400   4.3661   9.1817   4.5129  417.505  180.915  572.109  202.056 -154.6048 271.2134 
1 1 1  -38    1   45 o  350.724  159.284   1.6496   3.8066   12.068   6.4009  -4.0510   4.7348  541.162  226.125  294.015  144.838 247.1475 268.5344 
1 1 1  -38    1   47 o  687.736  161.714   11.600   3.4239   14.444   4.9715   9.0337   4.7224  646.152  212.384  492.981  198.731 153.1706 290.8625 
1 1 1  -38    2    2 f  339.362  158.539  -3.3114   4.1689   2.0853   6.4210  -7.2442   5.4813  529.374  224.133  348.228  167.940 181.1466 280.0706 
1 1 1  -38    2    4 o  569.583  236.219   3.2763   6.9107   0.0000   0.0000   3.2763   6.9107  ?   ?   569.583  236.219 0.000000 236.2188 
1 1 1  -38    2    6 o  546.316  200.015   4.5693   4.4688  -0.4640   6.8742   8.2535   5.8812  499.569  221.387  683.755  231.146 -184.1858 320.0641 
1 1 1  -38    2    8 o  621.899  232.347   6.0447   6.0849   6.0447   6.0849   0.0000   0.0000  621.899  232.347  ?   ?  0.000000 232.3474 
1 1 1  -38    2   10 o  501.881  193.149   3.3118   4.2791   3.0341   5.9696   3.6053   6.1369  542.704  221.717  560.689  226.365 -17.98486 316.8585 
1 1 1  -38    2   12 o  534.979  184.166   4.6264   3.7358  -1.4100   7.0384   6.9941   4.4080  490.657  220.278  633.446  199.264 -142.7896 297.0332 
1 1 1  -38    2   14 o  793.541  188.311   11.156   4.6088   0.0000   0.0000   11.156   4.6088  ?   ?   793.541  188.311 0.000000 188.3110 
1 1 1  -38    2   16 o  932.875  124.602   14.423   3.5487   13.570   4.8283   15.425   5.2335  878.862  181.462  936.582  185.019 -57.72058 259.1531 
1 1 1  -38    2   18 o  1890.87   91.754   57.357   5.4326   58.532   7.7074   56.197   7.6585  1882.50  131.581  1842.93  133.622 39.56860 187.5324 
1 1 1  -38    2   20 o  745.086  138.263   9.4585   3.1070   12.996   4.4327   6.0420   4.3562  860.604  170.522  590.939  198.937 269.6648 262.0186 
1 1 1  -38    2   22 o  380.289  150.713   1.5718   2.6694   4.5877   3.9104  -1.0600   3.6529  528.881  187.947  353.457  158.687 175.4239 245.9788 
1 1 1  -38    2   24 o  1314.11  103.665   28.302   4.2310   27.672   6.1210   28.879   5.8549  1263.24  158.217  1299.57  146.432 -36.33447 215.5802 
1 1 1  -38    2   26 o  1267.08  100.287   26.369   3.9464   28.721   5.5906   24.033   5.5717  1294.99  140.106  1172.14  155.655 122.8434 209.4229 
1 1 1  -38    2   28 o  346.956  147.722   0.5643   2.8158   0.0959   4.1411   0.9671   3.8402  393.158  173.148  402.323  171.932 -9.164978 244.0102 
1 1 1  -38    2   30 o  947.300  115.831   15.274   3.3642   16.010   4.9091   14.622   4.6196  925.221  175.879  885.794  172.757 39.42682 246.5327 
1 1 1  -38    2   32 o  432.238  165.713   2.9505   3.1421   2.6237   4.7497   3.2048   4.1900  460.292  193.710  463.261  187.038 -2.968719 269.2710 
1 1 1  -38    2   34 o  1293.53  101.350   28.309   4.0722   22.952   5.7859   33.568   5.7324  1088.11  175.812  1370.64  135.332 -282.5273 221.8664 
1 1 1  -38    2   36 o  1196.83  107.964   24.787   4.0025   26.597   5.5553   22.832   5.7716  1186.35  153.120  1066.73  179.143 119.6200 235.6652 
1 1 1  -38    2   38 o  756.597  154.605   11.266   3.5390   3.6466   5.0865   18.416   4.9272  458.960  197.050  950.691  171.843 -491.7310 261.4552 
1 1 1  -38    2   40 o  454.426  174.636   4.3540   3.4948   11.467   5.9167   0.5426   4.3311  632.336  230.354  370.079  168.779 262.2574 285.5678 
1 1 1  -38    2   42 o  783.402  143.948   12.389   3.4010   8.6108   4.9043   15.890   4.7204  553.181  208.215  826.416  186.806 -273.2354 279.7316 
1 1 1  -38    2   44 o  1090.83  139.014   24.370   4.6403   32.176   7.6907   19.902   5.8189  1028.69  242.685  836.361  219.445 192.3295 327.1884 
1 1 1  -38    2   46 o  1304.71  127.182   34.844   5.1298   36.068   6.4495   32.736   8.4634  1213.17  174.828  856.983  276.828 356.1912 327.4117 
1 1 1  -38    3    1 o  595.829  204.340   6.0890   4.5970   7.7300   6.1266   3.9749   6.9539  662.593  235.274  580.846  238.527 81.74713 335.0363 
1 1 1  -38    3    3 o  644.282  203.756   7.3632   4.6036   10.741   6.5222   4.0098   6.4989  758.480  242.809  574.166  232.545 184.3132 336.2037 
1 1 1  -38    3    5 o  439.616  191.134   0.1365   4.9059  -6.5299   6.9153   6.8911   6.9609  415.631  197.210  655.086  247.719 -239.4543 316.6327 
1 1 1  -38    3    7 o  545.185  208.233   4.1835   4.9498   6.3103   6.8894   1.9144   7.1162  641.153  245.481  549.771  234.474 91.38190 339.4687 
1 1 1  -38    3    9 o  528.798  176.967   4.5968   3.4469 -16.6267   7.3773   10.524   3.8987  346.183  172.310  780.037  164.783 -433.8538 238.4200 
1 1 1  -38    3   11 o  753.385  160.118   9.7851   3.6608   11.741   6.5910   8.9125   4.4023  795.785  242.554  708.279  193.163 87.50610 310.0715 
1 1 1  -38    3   13 o  563.538  182.366   5.3748   3.6717   7.7777   6.2671   4.1190   4.5306  672.903  238.061  533.364  200.250 139.5393 311.0837 
1 1 1  -38    3   15 o  791.461  136.926   10.557   3.2706   11.440   4.6257   9.6736   4.6248  803.100  187.375  734.705  196.995 68.39490 271.8755 
1 1 1  -38    3   17 o  1626.28   92.215   42.544   4.6765   48.620   6.9658   37.558   6.3099  1716.46  130.585  1504.63  135.379 211.8246 188.0957 
1 1 1  -38    3   19 o  1005.67  112.440   16.626   3.4801   20.296   5.2913   13.827   4.6201  1087.79  160.137  888.398  172.300 199.3896 235.2260 
1 1 1  -38    3   21 o  854.124  120.983   12.175   3.1452   10.621   4.5898   13.552   4.3185  764.175  192.042  881.745  162.398 -117.5707 251.5021 
1 1 1  -38    3   23 o  985.393  111.598   16.068   3.3826   18.187   4.9372   14.192   4.6439  1022.49  159.404  893.651  172.202 128.8385 234.6551 
1 1 1  -38    3   25 o  505.597  162.131   4.4470   2.9071   7.6353   4.4728   2.1152   3.8252  639.741  200.641  438.879  178.178 200.8623 268.3357 
1 1 1  -38    3   27 o  920.806  124.585   14.423   3.4999   16.833   5.1316   12.326   4.7857  959.886  177.262  807.944  191.999 151.9419 261.3151 
1 1 1  -38    3   29 o  681.403  144.941   8.3033   2.9974   6.7755   4.4060   9.6195   4.0896  594.297  200.072  710.920  182.719 -116.6229 270.9519 
1 1 1  -38    3   31 o  1677.45   95.298   46.581   4.9849   46.033   7.1725   47.094   6.9330  1613.78  143.437  1641.59  136.106 -27.81091 197.7349 
1 1 1  -38    3   33 o  695.271  152.568   9.0100   3.2303   12.934   4.6307   5.2910   4.5084  806.039  187.078  526.590  199.305 279.4492 273.3506 
1 1 1  -38    3   35 o  251.964  121.274  -3.3285   2.8235   1.6458   4.5003  -6.5575   3.6259  419.668  182.760  253.380  125.181 166.2875 221.5210 
1 1 1  -38    3   37 o  593.903  168.256   7.2203   3.2715   14.614   4.8053   0.8320   4.4665  831.131  188.924  393.262  176.090 437.8695 258.2635 
1 1 1  -38    3   39 o  1463.35  102.536   37.377   4.6686   42.784   6.6191   32.024   6.5859  1496.32  143.014  1243.72  173.866 252.6060 225.1279 
1 1 1  -38    3   41 f  284.860  135.558  -2.1511   3.3140  -1.6430   6.0739  -2.3665   3.9544  374.185  179.532  306.860  146.591 67.32553 231.7767 
1 1 1  -38    3   43 o  266.347  127.353  -2.1037   2.9986  -1.4532   6.4056  -2.2863   3.3934  368.373  178.616  280.106  134.340 88.26669 223.4966 
1 1 1  -38    3   45 o  1161.64  112.984   25.840   4.0577   33.352   6.0578   19.728   5.4647  1208.62  164.330  842.008  208.393 366.6147 265.3901 
1 1 1  -38    3   47 o  891.456  171.842   19.911   4.6228   25.178   5.6970   9.7557   7.9101  943.911  199.021  434.179  207.389 509.7317 287.4363 
1 1 1  -38    4    2 o  746.949  206.593   10.193   4.9945   21.366   7.5893   1.6576   6.6335  1069.20  233.249  526.237  225.457 542.9603 324.4009 
1 1 1  -38    4    4 f  923.200  154.673   14.556   4.3131   15.853   8.1511   14.052   5.0830  900.434  268.689  889.977  188.276 10.45721 328.0883 
1 1 1  -38    4    6 o  535.516  177.798   4.7705   3.4809   5.8991   6.2287   4.2579   4.1976  618.149  234.190  529.363  193.844 88.78558 304.0070 
1 1 1  -38    4    8 o  442.733  173.811   2.2679   3.5193   2.8278   5.9426   1.9655   4.3675  535.843  220.327  464.313  189.663 71.52997 290.7164 
1 1 1  -38    4   10 o  907.237  139.352   13.807   3.8321   20.516   7.6555   11.564   4.4266  1052.57  237.875  812.242  178.883 240.3299 297.6300 
1 1 1  -38    4   12 o  468.718  176.135   3.0254   3.5067   8.7600   6.9662   1.0791   4.0584  706.578  250.880  428.488  179.625 278.0898 308.5545 
1 1 1  -38    4   14 o  457.756  167.643   3.0356   3.1397   0.7129   7.0028   3.6199   3.5125  523.309  227.935  490.455  177.667 32.85379 288.9980 
1 1 1  -38    4   16 o  584.700  153.111   5.9130   2.8364   10.911   4.0616   1.1560   3.9626  790.602  169.182  425.428  177.855 365.1742 245.4687 
1 1 1  -38    4   18 o  335.001  143.385   0.1802   2.6783  -2.4551   3.8175   2.7347   3.7585  335.978  155.141  464.090  180.342 -128.1122 237.8909 
1 1 1  -38    4   20 o  661.179  157.715   7.6560   3.2195   9.1184   4.7170   6.3808   4.4050  705.818  202.732  602.918  200.003 102.9001 284.7828 
1 1 1  -38    4   22 o  932.316  121.280   14.513   3.4567   19.115   4.8229   9.6525   4.9569  1055.74  150.122  719.467  208.163 336.2772 256.6486 
1 1 1  -38    4   24 o  1242.58  103.229   25.332   3.9801   19.409   5.7602   30.743   5.5059  1036.71  184.193  1350.95  131.839 -314.2433 226.5136 
1 1 1  -38    4   26 o  1439.10   94.198   33.812   4.2213   33.389   6.1026   34.200   5.8453  1394.93  141.682  1419.07  133.104 -24.14209 194.3978 
1 1 1  -38    4   28 o  394.670  155.636   1.9651   2.8336  -0.0998   4.3772   3.4546   3.7176  397.912  176.483  472.521  180.467 -74.60880 252.4176 
1 1 1  -38    4   30 o  607.058  160.314   6.8362   3.0925   7.2529   4.4150   6.4347   4.3331  607.638  200.165  577.935  198.378 29.70251 281.8149 
1 1 1  -38    4   32 o  707.669  153.389   9.2606   3.3008   6.5676   4.8412   11.600   4.5123  573.284  208.440  764.639  189.437 -191.3546 281.6626 
1 1 1  -38    4   34 o  1147.78  107.912   22.528   3.8328   17.290   5.7073   26.831   5.1729  909.789  205.227  1222.60  137.510 -312.8133 247.0367 
1 1 1  -38    4   36 o  520.103  180.479   5.5187   3.5912   7.9144   4.6447   1.9580   5.6625  595.544  205.332  447.565  199.488 147.9783 286.2812 
1 1 1  -38    4   38 o  738.559  139.412   10.327   3.1059   8.8980   4.7080   11.427   4.1327  612.460  206.811  733.734  181.002 -121.2740 274.8320 
1 1 1  -38    4   40 o  597.883  161.716   7.5196   3.1006   11.155   4.9109   5.1098   3.9983  664.942  210.461  479.667  186.113 185.2748 280.9487 
1 1 1  -38    4   42 o  635.273  200.497   10.410   4.4593   0.0000   0.0000   10.410   4.4593  ?   ?   635.273  200.497 0.000000 200.4973 
1 1 1  -38    4   44 o  1753.58   97.978   55.450   5.3583   58.364   7.8172   52.868   7.3592  1652.78  152.778  1578.57  150.715 74.21106 214.6069 
1 1 1  -38    4   46 o  424.270  164.716   4.6551   3.1332   2.2696   4.5393   6.8257   4.3300  364.358  168.571  464.986  189.268 -100.6280 253.4530 
1 1 1  -38    5    1 o  745.437  151.317   9.5975   3.4113   7.1121   4.8299   12.071   4.8188  633.131  209.397  818.517  191.430 -185.3857 283.7126 
1 1 1  -38    5    3 o  473.784  176.574   3.2196   3.5100  -1.1984   6.4550   5.0743   4.1823  469.946  210.968  555.629  194.657 -85.68256 287.0518 
1 1 1  -38    5    5 o  785.525  161.355   10.684   3.8360   5.9920   6.9223   12.763   4.6082  630.641  244.833  852.282  178.402 -221.6417 302.9366 
1 1 1  -38    5    7 o  885.247  141.653   13.209   3.7941   10.768   7.0982   14.186   4.4893  762.090  253.936  907.778  163.970 -145.6882 302.2742 
1 1 1  -38    5    9 o  421.793  175.879   1.1417   3.8609  -1.1947   6.0277   2.7671   5.0275  457.548  204.741  507.313  204.860 -49.76459 289.6317 
1 1 1  -38    5   11 o  280.581  131.884  -2.8411   2.9608   0.0000   5.9126  -3.7919   3.4205  475.047  208.107  291.904  138.560 183.1427 250.0148 
1 1 1  -38    5   13 o  472.545  176.432   3.1444   3.5074   16.004   6.9549  -1.2419   4.0618  924.564  238.622  373.412  167.511 551.1519 291.5479 
1 1 1  -38    5   15 o  1119.62  104.979   20.396   3.6374   25.568   5.3181   15.850   4.9860  1237.73  139.661  955.125  173.088 282.6088 222.4068 
1 1 1  -38    5   17 o  965.647  112.476   15.325   3.3372   13.636   4.7809   16.930   4.6604  879.427  179.688  996.050  154.423 -116.6231 236.9270 
1 1 1  -38    5   19 o  526.020  162.432   4.7500   2.9443   4.0971   4.0699   5.4669   4.2648  517.036  190.639  568.896  196.721 -51.86066 273.9379 
1 1 1  -38    5   21 o  393.284  156.780   1.6511   2.9043  -0.4928   4.5023   3.1790   3.8009  404.804  179.291  476.906  182.396 -72.10199 255.7606 
1 1 1  -38    5   23 o  756.451  131.399   9.7600   2.9994   9.0485   4.3338   10.414   4.1555  700.347  191.928  758.642  177.998 -58.29437 261.7623 
1 1 1  -38    5   25 o  501.728  164.323   4.3619   2.9770   6.9153   4.4067   2.2181   4.0378  611.829  199.900  448.281  182.653 163.5486 270.7807 
1 1 1  -38    5   27 o  1107.78  112.531   20.522   3.8492   20.186   5.4005   20.868   5.4877  1059.20  168.476  1077.47  168.147 -18.26855 238.0283 
1 1 1  -38    5   29 o  527.292  163.346   5.0736   2.9749   4.9967   4.5857   5.1296   3.9091  534.317  201.296  532.269  188.046 2.047913 275.4656 
1 1 1  -38    5   31 o  1255.32  108.913   26.575   4.2386   29.058   6.3341   24.563   5.7040  1258.52  164.685  1159.39  161.506 99.13232 230.6626 
1 1 1  -38    5   33 o  316.227  138.305   0.1122   2.6020   2.9735   4.0794  -1.8504   3.3785  451.184  183.685  310.263  144.197 140.9204 233.5235 
1 1 1  -38    5   35 o  345.204  151.466   0.3879   3.1431  -3.3797   4.2863   4.7705   4.6228  322.634  153.707  502.241  198.559 -179.6069 251.1004 
1 1 1  -38    5   37 o  362.915  148.820   1.6955   2.7021   3.7536   4.2638   0.3143   3.4930  459.239  187.473  351.958  156.791 107.2818 244.3960 
1 1 1  -38    5   39 o  1272.21  104.141   28.318   4.1122   27.169   6.1184   29.265   5.5536  1143.44  176.574  1233.07  146.715 -89.63660 229.5734 
1 1 1  -38    5   41 o  328.340  147.545   0.3477   3.1657   1.4770   5.6191  -0.1774   3.8316  408.043  188.349  339.486  156.282 68.55750 244.7432 
1 1 1  -38    5   43 f  1018.84  123.835   19.886   3.8694   21.410   5.6739   18.561   5.2904  931.548  200.461  866.071  199.231 65.47668 282.6263 
1 1 1  -38    5   45 o  1849.54  100.460   62.771   5.7962   66.522   8.3284   59.247   8.0718  1740.94  154.379  1623.76  160.873 117.1787 222.9639 
1 1 1  -38    6    2 o  631.287  163.753   6.9938   3.2645   3.2371   5.4300   9.1201   4.0851  526.781  212.839  714.624  182.052 -187.8433 280.0775 
1 1 1  -38    6    4 o  467.715  168.961   3.2948   3.1736   3.1545   6.4469   3.3396   3.6459  553.183  228.682  482.097  179.903 71.08539 290.9655 
1 1 1  -38    6    6 o  624.864  169.849   6.8369   3.4104   6.5354   6.4971   6.9515   4.0068  637.762  239.731  628.160  188.596 9.602295 305.0234 
1 1 1  -38    6    8 o  818.160  151.988   11.441   3.7504   9.6971   7.1039   12.115   4.4159  731.132  253.830  832.123  175.028 -100.9915 308.3252 
1 1 1  -38    6   10 o  260.655  127.885  -6.7038   3.5721  -2.4233   5.5708  -9.6928   4.6551  418.736  191.143  286.188  141.473 132.5480 237.8026 
1 1 1  -38    6   12 o  424.691  169.548   1.8775   3.4012  -3.3929   6.1683   4.1799   4.0770  427.353  197.289  523.716  191.150 -96.36282 274.7026 
1 1 1  -38    6   14 o  934.924  117.966   14.419   3.3766   14.562   4.9740   14.298   4.5985  910.533  180.834  908.631  167.806 1.902222 246.6981 
1 1 1  -38    6   16 o  639.823  153.780   7.1046   3.0427   4.1855   4.2684   10.121   4.3386  526.414  195.008  753.037  185.268 -226.6229 268.9841 
1 1 1  -38    6   18 o  1117.01  103.940   20.347   3.5937   21.282   5.1472   19.458   5.0197  1119.08  150.725  1067.15  154.737 51.93152 216.0125 
1 1 1  -38    6   20 o  445.064  159.912   3.0207   2.8383   0.1571   4.6369   4.7365   3.5893  424.738  185.225  530.652  180.569 -105.9141 258.6764 
1 1 1  -38    6   22 o  631.017  156.422   7.0316   3.0752   5.8649   4.3154   8.2354   4.3835  578.759  197.989  669.049  196.382 -90.29034 278.8642 
1 1 1  -38    6   24 o  392.973  158.884   1.5759   3.0282   1.6303   4.6586   1.5360   3.9849  454.354  191.560  428.617  178.699 25.73669 261.9706 
1 1 1  -38    6   26 o  342.064  147.753   0.2077   2.8936   0.4027   4.0290   0.0000   4.1584  398.520  173.240  394.497  173.630 4.022705 245.2743 
1 1 1  -38    6   28 o  917.625  120.511   14.320   3.3789   16.719   5.1454   12.501   4.4804  950.372  179.483  818.498  179.737 131.8746 254.0071 
1 1 1  -38    6   30 o  1114.09  108.852   20.877   3.7488   23.039   5.7909   19.317   4.9184  1118.44  170.770  1034.98  156.667 83.45740 231.7472 
1 1 1  -38    6   32 o  890.345  123.652   13.790   3.3542   12.272   4.9376   15.092   4.5708  776.766  201.343  895.570  169.195 -118.8044 262.9938 
1 1 1  -38    6   34 o  549.430  179.424   5.9899   3.5503   10.687   4.4764  -1.9734   5.8289  719.286  194.209  399.578  186.928 319.7082 269.5534 
1 1 1  -38    6   36 o  789.701  149.990   11.782   3.5733   16.054   5.4898   8.6419   4.7068  860.448  206.408  621.719  206.764 238.7293 292.1569 
1 1 1  -38    6   38 o  369.515  153.210   1.7752   2.9062  -2.8792   4.5449   4.9946   3.7799  332.009  158.202  490.778  183.174 -158.7688 242.0342 
1 1 1  -38    6   40 o  936.424  123.411   16.166   3.5305   14.254   5.5400   17.473   4.5812  746.682  221.218  924.041  164.356 -177.3586 275.5910 
1 1 1  -38    6   42 o  902.367  127.739   15.541   3.5085   23.216   5.4258   10.026   4.5995  1032.31  174.046  617.777  204.343 414.5326 268.4172 
1 1 1  -38    6   44 o  814.747  148.394   13.962   3.6463   12.707   5.4870   14.955   4.8796  629.837  222.761  751.843  202.668 -122.0062 301.1589 
1 1 1  -38    7    1 o  541.146  167.495   5.0508   3.1287   5.1334   5.1393   5.0021   3.9437  571.554  213.533  547.578  189.180 23.97607 285.2817 
1 1 1  -38    7    3 o  417.748  169.390   1.6431   3.4526  -8.1012   7.5999   4.1772   3.8756  421.089  201.714  517.062  186.728 -95.97253 274.8739 
1 1 1  -38    7    5 o  508.809  182.645   4.0290   3.7018  -3.6854   7.5921   6.4350   4.2399  472.611  218.426  607.533  195.905 -134.9222 293.4088 
1 1 1  -38    7    7 f  796.877  166.418   11.049   4.0185   7.3624   7.8887   12.340   4.6698  677.416  261.818  835.199  183.569 -157.7833 319.7593 
1 1 1  -38    7    9 o  784.825  168.749   10.742   4.0237   12.499   8.0741   10.161   4.6410  808.614  270.846  752.508  195.275 56.10553 333.9010 
1 1 1  -38    7   11 o  468.602  191.435   2.0592   4.4501  -4.6558   7.3782   5.8986   5.5791  454.166  211.748  606.319  223.257 -152.1525 307.7024 
1 1 1  -38    7   13 o  354.048  150.228   0.3993   2.8946  -2.2388   4.1161   2.9805   4.0715  355.926  163.157  482.890  187.687 -126.9647 248.6895 
1 1 1  -38    7   15 o  397.926  155.652   1.8176   2.8140   3.3748   3.9462   0.2066   4.0138  491.353  186.345  402.537  173.945 88.81622 254.9144 
1 1 1  -38    7   17 o  349.809  147.229   0.5475   2.7442  -0.3176   3.9514   1.3534   3.8140  386.452  169.691  423.228  175.501 -36.77655 244.1222 
1 1 1  -38    7   19 o  424.071  162.933   2.3285   3.0417  -0.3513   4.4353   4.7077   4.1792  405.926  178.960  539.302  194.016 -133.3756 263.9485 
1 1 1  -38    7   21 o  323.988  142.406  -0.3529   2.7890  -2.9538   4.0914   1.9048   3.8120  338.832  157.877  436.085  177.553 -97.25336 237.5928 
1 1 1  -38    7   23 o  325.688  144.500  -0.5628   2.9369  -6.6984   4.7014   3.3636   3.7610  315.117  152.846  478.825  181.840 -163.7083 237.5452 
1 1 1  -38    7   25 o  414.480  153.883   2.5265   2.6608   0.7162   4.2194   3.7218   3.4285  414.809  178.798  481.330  175.349 -66.52112 250.4317 
1 1 1  -38    7   27 o  417.653  159.746   2.4709   2.9156  -2.1351   4.3021   6.3836   3.9652  357.101  164.824  586.046  189.500 -228.9456 251.1518 
1 1 1  -38    7   29 o  271.110  127.498  -2.3908   2.7732   0.4855   4.5421  -4.1002   3.5016  414.378  181.943  284.113  136.315 130.2646 227.3438 
1 1 1  -38    7   31 o  798.619  137.188   11.304   3.3070   8.8199   5.1181   13.084   4.3330  653.067  215.533  834.595  171.538 -181.5275 275.4625 
1 1 1  -38    7   33 o  808.581  160.115   12.238   3.9105   13.076   4.9126   10.789   6.4607  802.552  196.956  683.375  241.717 119.1767 311.7991 
1 1 1  -38    7   35 o  964.036  121.612   16.358   3.5893   18.801   5.6615   14.716   4.6413  957.480  195.449  862.588  177.752 94.89240 264.1897 
1 1 1  -38    7   37 o  789.442  145.120   11.740   3.4551   10.541   5.2918   12.631   4.5616  666.078  219.129  772.474  189.920 -106.3965 289.9778 
1 1 1  -38    7   39 o  634.412  166.786   8.3471   3.3570   8.7072   4.9969   8.0510   4.5321  594.449  212.328  583.140  202.726 11.30902 293.5661 
1 1 1  -38    7   41 f  258.225  123.864  -2.6514   2.8872   2.7147   4.4775  -6.4706   3.7774  415.439  181.569  252.720  125.371 162.7181 220.6475 
1 1 1  -38    7   43 o  310.172  149.479  -2.6339   4.3232   6.9049   7.4973  -7.3856   5.2915  480.049  220.108  293.091  145.891 186.9578 264.0677 
1 1 1  -38    7   45 o  1531.80  129.059   46.893   6.1326   42.842   7.3761   55.961   11.037  1337.72  180.720  1211.70  293.905 126.0186 345.0216 
1 1 1  -38    8    2 o  319.755  147.271  -2.1266   3.4081   15.363   7.8872  -6.1419   3.7791  882.726  264.509  277.953  135.325 604.7733 297.1156 
1 1 1  -38    8    4 o  345.132  153.031  -0.6915   3.2889  -7.1183   7.2555   0.9706   3.6897  419.555  199.909  408.001  171.167 11.55347 263.1761 
1 1 1  -38    8    6 o  558.369  181.968   5.3076   3.6524  -3.9506   7.7824   7.9228   4.1362  475.547  220.262  666.722  189.294 -191.1743 290.4265 
1 1 1  -38    8    8 o  373.586  159.490   0.3596   3.2984   12.159   6.3792  -3.9459   3.8536  805.283  237.059  313.147  148.183 492.1364 279.5624 
1 1 1  -38    8   10 o  266.478  126.022  -2.9547   2.7794  -1.0733   3.8470  -5.0090   4.0200  365.861  163.649  306.431  146.767 59.42975 219.8217 
1 1 1  -38    8   12 o  619.708  174.930   6.7446   3.5429   8.1171   4.3343   3.9812   6.1503  673.824  194.563  565.667  227.229 108.1571 299.1451 
1 1 1  -38    8   14 o  509.111  160.046   4.3812   2.8441   0.7630   4.2166   7.4014   3.8524  424.865  180.829  646.048  182.428 -221.1835 256.8633 
1 1 1  -38    8   16 o  1057.26  106.403   18.269   3.4747   15.386   5.2578   20.504   4.6297  930.123  187.013  1106.35  136.540 -176.2292 231.5535 
1 1 1  -38    8   18 o  1073.11  108.929   18.887   3.6095   23.410   5.2591   14.859   4.9629  1175.96  145.963  915.798  179.487 260.1644 231.3451 
1 1 1  -38    8   20 o  828.072  132.374   11.610   3.3167   10.583   4.7973   12.550   4.5906  757.852  199.449  836.886  180.487 -79.03394 268.9897 
1 1 1  -38    8   22 o  1045.03  112.197   18.071   3.6139   23.151   5.6792   14.615   4.6848  1153.36  161.701  907.152  171.204 246.2055 235.4952 
1 1 1  -38    8   24 o  1409.18   96.525   32.399   4.2335   35.915   6.3396   29.569   5.6874  1451.71  141.255  1317.18  140.044 134.5234 198.9108 
1 1 1  -38    8   26 o  535.296  160.266   5.1239   2.8964  -0.5078   4.3408   9.6437   3.8887  391.073  174.459  725.164  173.571 -334.0916 246.0949 
1 1 1  -38    8   28 o  704.686  151.074   8.9006   3.2334   8.6026   5.2973   9.0775   4.0820  658.341  219.371  692.175  184.851 -33.83484 286.8683 
1 1 1  -38    8   30 o  922.643  121.627   14.598   3.4282   14.685   5.0587   14.524   4.6619  873.873  190.268  881.717  175.032 -7.843689 258.5305 
1 1 1  -38    8   32 o  764.464  161.805   10.901   3.7524   11.721   4.9296   9.7724   5.7861  757.937  203.449  670.989  229.259 86.94739 306.5148 
1 1 1  -38    8   34 o  351.286  149.104   0.9293   2.8530   3.5145   4.2365  -1.2159   3.8592  467.823  188.356  343.238  157.578 124.5844 245.5784 
1 1 1  -38    8   36 o  600.096  170.637   7.2262   3.3584   9.2080   5.2153   5.8223   4.3897  633.872  217.633  531.279  197.572 102.5933 293.9368 
1 1 1  -38    8   38 o  325.177  150.260  -1.1009   3.5905 -10.4626   4.5509   14.336   5.8438  257.357  129.164  766.080  227.257 -508.7226 261.3985 
1 1 1  -38    8   40 o  541.050  188.325   6.6834   3.9116   1.3476   4.9085   15.969   6.4752  403.204  182.215  758.870  241.827 -355.6659 302.7910 
1 1 1  -38    8   42 o  431.686  181.100   3.7746   4.1303   4.3311   5.3549   2.9572   6.4895  451.283  197.864  436.599  201.839 14.68417 282.6464 
1 1 1  -38    8   44 o  380.205  177.007   1.4067   5.1259   5.3232   7.7405  -1.6522   6.8408  448.364  211.510  370.755  180.848 77.60907 278.2854 
1 1 1  -38    9    1 o  230.866  113.206  -5.2303   2.7867  -8.7049   8.4531  -4.8067   2.9517  442.574  212.198  247.118  120.149 195.4556 243.8522 
1 1 1  -38    9    3 o  328.245  148.666  -1.4119   3.2882  -2.4600   6.9443  -1.1090   3.7333  466.626  213.161  358.552  160.737 108.0736 266.9719 
1 1 1  -38    9    5 f  578.097  192.636   5.7059   4.0848   6.3837   8.5947   5.5081   4.6426  664.355  268.001  578.013  204.854 86.34125 337.3274 
1 1 1  -38    9    7 o  487.594  180.046   3.4946   3.6327   9.1176   8.4997   2.2379   4.0182  723.244  273.676  458.033  183.782 265.2112 329.6575 
1 1 1  -38    9    9 o  410.783  158.063   2.0924   2.8653   3.0879   4.4045   1.3620   3.7727  495.919  194.526  423.199  174.942 72.72052 261.6199 
1 1 1  -38    9   11 o  366.997  149.924   1.0617   2.7293  -2.6716   4.3295   3.5237   3.5159  358.502  165.428  485.719  177.476 -127.2173 242.6195 
1 1 1  -38    9   13 o  960.807  145.734   15.629   4.2469   16.048   5.2814   14.863   7.1440  954.161  183.434  880.874  248.315 73.28674 308.7207 
1 1 1  -38    9   15 o  389.102  150.933   1.7982   2.6290  -3.9733   4.1337   5.7183   3.4068  326.759  154.273  573.132  174.316 -246.3731 232.7789 
1 1 1  -38    9   17 o  390.529  157.000   1.4952   2.9386   4.8109   4.5113  -0.9486   3.8729  549.885  201.018  368.173  164.477 181.7117 259.7318 
1 1 1  -38    9   19 o  663.861  157.941   7.7401   3.2354   6.8554   4.7935   8.4804   4.3850  620.863  208.685  682.139  195.331 -61.27625 285.8387 
1 1 1  -38    9   21 o  296.333  133.868  -1.0789   2.6465  -0.5410   4.0799  -1.4695   3.4772  384.398  170.442  335.001  152.180 49.39734 228.4933 
1 1 1  -38    9   23 o  581.669  160.843   6.0228   3.0278   9.5750   5.1899   4.1901   3.7279  709.260  215.025  507.371  183.149 201.8896 282.4523 
1 1 1  -38    9   25 o  566.551  164.771   5.7664   3.0985   6.9455   4.8935   4.9773   4.0033  613.083  210.795  537.345  190.250 75.73724 283.9536 
1 1 1  -38    9   27 o  519.643  168.681   4.8093   3.1396   8.4947   4.7170   1.8780   4.2068  663.234  205.725  440.740  183.668 222.4933 275.7842 
1 1 1  -38    9   29 o  362.339  152.225   0.9338   2.9250   5.8370   4.5616  -2.4898   3.8117  562.662  202.669  326.027  152.069 236.6346 253.3766 
1 1 1  -38    9   31 o  549.200  168.692   5.6492   3.1805   11.141   4.9394   1.7594   4.1569  742.333  205.499  427.782  180.687 314.5502 273.6376 
1 1 1  -38    9   33 o  723.367  149.217   9.6101   3.2676   7.5691   4.6949   11.528   4.5507  606.037  206.514  758.844  191.511 -152.8068 281.6456 
1 1 1  -38    9   35 o  604.373  163.452   7.0939   3.1677   11.717   4.7629   3.4271   4.2419  746.915  199.765  462.669  187.704 284.2458 274.1146 
1 1 1  -38    9   37 o  356.314  154.073   0.8890   3.1532   4.5631   4.6893  -2.1435   4.2602  490.897  197.983  337.230  158.411 153.6664 253.5573 
1 1 1  -38    9   39 o  661.580  213.647   10.581   5.0413   16.139   7.3915   5.7472   6.8935  742.591  258.854  515.042  225.191 227.5491 343.0981 
1 1 1  -38    9   41 o  554.959  193.805   7.3714   4.1442   4.4026   5.2206   12.429   6.8144  462.956  199.219  631.924  243.589 -168.9685 314.6806 
1 1 1  -38    9   43 o  350.759  160.206   0.5942   3.9206   0.5157   4.5804   0.8092   7.5829  364.954  169.017  414.430  199.294 -49.47565 261.3141 
1 1 1  -38   10    2 o  359.937  156.203  -0.0482   3.2646   10.886   8.5436  -1.9176   3.5327  761.327  276.887  330.982  151.513 430.3451 315.6306 
1 1 1  -38   10    4 o  508.389  177.607   4.1431   3.4806   1.0062   7.6277   4.9680   3.9116  543.080  237.180  547.709  188.455 -4.628601 302.9344 
1 1 1  -38   10    6 o  388.787  165.765   0.4727   3.5547  -2.7525   8.5593   1.1449   3.9077  514.855  235.741  422.507  176.624 92.34778 294.5672 
1 1 1  -38   10    8 o  382.675  153.696   1.3915   2.8133  -1.1706   4.3212   3.2763   3.7064  386.430  173.104  481.946  181.085 -95.51587 250.5134 
1 1 1  -38   10   10 o  302.530  137.288  -1.3543   2.8207  -2.3847   4.2871  -0.5677   3.7457  361.585  166.031  372.007  164.210 -10.42184 233.5191 
1 1 1  -38   10   12 o  564.563  162.001   5.5235   3.0134   1.7390   4.9070   7.8148   3.8181  475.075  198.204  664.140  179.377 -189.0653 267.3221 
1 1 1  -38   10   14 o  652.542  181.689   7.5651   3.8494   8.8230   5.1593   5.9855   5.7813  696.137  215.026  609.310  226.708 86.82697 312.4621 
1 1 1  -38   10   16 o  366.236  150.059   1.0439   2.7445   2.6614   4.1970  -0.1645   3.6275  474.877  188.732  374.699  163.605 100.1786 249.7726 
1 1 1  -38   10   18 o  819.660  133.322   11.359   3.3042   13.604   5.0928   9.7268   4.3421  867.715  192.476  733.560  188.134 134.1544 269.1495 
1 1 1  -38   10   20 o  379.148  152.898   1.3871   2.7964   3.7934   4.3713  -0.2800   3.6383  511.219  195.584  370.611  162.779 140.6077 254.4606 
1 1 1  -38   10   22 o  575.476  161.135   5.8664   3.0188   4.9118   4.5507   6.6166   4.0342  548.097  201.662  605.518  190.654 -57.42065 277.5187 
1 1 1  -38   10   24 o  563.191  166.969   5.6661   3.1552   6.1047   4.7091   5.3089   4.2504  586.193  206.470  554.229  196.055 31.96344 284.7231 
1 1 1  -38   10   26 o  749.935  147.990   9.9028   3.3517   1.8638   4.8681   17.149   4.6217  463.284  195.600  988.010  154.446 -524.7255 249.2243 
1 1 1  -38   10   28 o  668.291  159.012   8.1072   3.2792   7.1088   5.0774   8.8217   4.2952  610.799  214.449  679.002  192.939 -68.20374 288.4677 
1 1 1  -38   10   30 o  566.917  166.614   5.9646   3.1535   7.6526   4.8946   4.7667   4.1234  622.145  210.866  520.444  191.889 101.7003 285.1070 
1 1 1  -38   10   32 o  422.178  166.607   2.5286   3.2493   2.3585   5.0896   2.6455   4.2216  465.705  198.450  451.363  185.660 14.34161 271.7573 
1 1 1  -38   10   34 o  891.944  131.649   14.105   3.5663   11.116   5.3953   16.424   4.7526  714.001  219.781  930.270  169.397 -216.2689 277.4867 
1 1 1  -38   10   36 o  484.942  185.242   4.3748   3.9174   8.1873   4.8761  -2.5652   6.5788  610.275  210.385  409.100  193.597 201.1745 285.9047 
1 1 1  -38   10   38 o  531.903  203.613   6.1327   4.7392   0.6292   6.5150   12.318   6.9068  439.048  202.712  674.608  248.405 -235.5599 320.6199 
1 1 1  -38   10   40 o  389.703  170.049   1.6550   3.9134   2.1471   4.9140   0.8017   6.4706  421.560  186.981  427.396  198.942 -5.835693 273.0201 
1 1 1  -38   10   42 o  958.640  136.697   17.744   3.9871   27.912   6.0171   9.7841   5.3235  1143.34  173.522  593.059  218.127 550.2845 278.7279 
1 1 1  -38   11    1 o  359.123  155.650  -0.0171   3.2332  -1.8104   7.5698   0.3830   3.5757  495.916  224.991  386.567  165.571 109.3488 279.3471 
1 1 1  -38   11    3 o  500.612  182.182   3.8171   3.6995  -7.7037   7.9907   6.9601   4.1737  439.122  209.387  627.356  193.337 -188.2337 284.9949 
1 1 1  -38   11    5 o  528.583  170.451   4.7133   3.2097   4.6043   4.9220   4.7939   4.2338  554.553  208.618  547.261  195.447 7.292053 285.8691 
1 1 1  -38   11    7 o  383.476  161.667   0.6742   3.3178  -1.5315   7.9026   1.1461   3.6555  512.730  231.504  412.279  171.459 100.4503 288.0838 
1 1 1  -38   11    9 o  708.201  158.991   8.7036   3.4393   6.0610   5.4402   10.463   4.4389  608.588  221.008  766.461  186.687 -157.8723 289.3034 
1 1 1  -38   11   11 o  857.739  134.286   12.355   3.4883   14.961   5.5947   10.697   4.4618  911.612  201.370  775.036  186.182 136.5766 274.2505 
1 1 1  -38   11   13 o  850.573  138.007   12.208   3.5496   14.927   5.7599   10.543   4.5073  906.221  207.461  767.578  188.829 138.6428 280.5289 
1 1 1  -38   11   15 o  564.386  163.871   5.5352   3.0671   6.9741   4.7611   4.5144   4.0099  629.178  207.892  531.890  190.184 97.28778 281.7603 
1 1 1  -38   11   17 o  416.637  158.359   2.2892   2.8539   1.1893   4.2970   3.1572   3.8174  437.339  184.159  478.817  182.873 -41.47812 259.5325 
1 1 1  -38   11   19 o  488.092  166.871   3.9024   3.0655   7.8350   5.0227   1.5679   3.8698  656.427  213.365  429.893  177.401 226.5339 277.4808 
1 1 1  -38   11   21 o  382.560  154.976   1.3807   2.8871   3.4804   4.6672   0.0792   3.6745  508.219  199.957  380.646  165.456 127.5731 259.5349 
1 1 1  -38   11   23 o  1133.03  108.340   21.160   3.7968   26.047   6.0100   17.914   4.8981  1223.73  160.732  1012.85  159.735 210.8792 226.6057 
1 1 1  -38   11   25 o  413.722  161.069   2.2099   3.0024   7.2577   4.7477  -1.1543   3.8758  624.885  207.652  359.065  162.124 265.8201 263.4462 
1 1 1  -38   11   27 o  476.919  168.531   3.7937   3.1400  -4.2960   4.9612   9.1998   4.0557  353.612  167.566  702.308  182.690 -348.6954 247.8990 
1 1 1  -38   11   29 f  291.832  135.002  -1.7998   2.9103   2.1021   4.7284  -4.1794   3.6925  459.441  193.309  293.774  140.694 165.6665 239.0881 
1 1 1  -38   11   31 o  370.014  152.709   1.3025   2.8680   1.9064   4.5234   0.8965   3.7088  444.071  188.074  391.592  168.198 52.47827 252.3143 
1 1 1  -38   11   33 o  366.903  153.433   1.1917   2.9504   10.225   4.4170  -6.0848   3.9644  715.401  192.814  279.199  136.509 436.2012 236.2458 
1 1 1  -38   11   35 o  360.512  161.999  -0.2706   3.8161   4.8755   4.7546  -9.5879   6.3976  514.026  201.955  338.929  167.230 175.0970 262.2051 
1 1 1  -38   11   37 o  369.068  169.565  -0.8235   4.4804  -6.6921   6.2153   5.5251   6.4645  352.610  172.082  531.321  224.921 -178.7111 283.1992 
1 1 1  -38   11   39 o  371.158  165.551   0.6113   3.9073   0.6542   4.8891   0.5355   6.5003  399.702  181.132  433.093  200.847 -33.39154 270.4593 
1 1 1  -38   12    2 o  464.829  180.069   2.7609   3.7382   1.0582   8.2251   3.2041   4.1966  560.039  245.393  492.962  190.841 67.07715 310.8668 
1 1 1  -38   12    4 o  642.427  161.112   7.1942   3.2351   9.9627   5.2320   5.4805   4.1164  738.678  213.902  570.672  193.378 168.0062 288.3559 
1 1 1  -38   12    6 o  277.624  132.039  -3.6042   3.1355  -6.5358   4.1574   0.2632   4.7751  294.078  142.891  436.671  189.209 -142.5923 237.1033 
1 1 1  -38   12    8 o  770.524  171.971   10.398   4.0439   19.002   9.1890   8.3315   4.5035  976.691  283.663  682.387  198.698 294.3041 346.3313 
1 1 1  -38   12   10 o  513.184  172.136   4.3308   3.2614   5.5342   4.9552   3.4111   4.3319  585.048  211.161  504.222  194.257 80.82620 286.9227 
1 1 1  -38   12   12 o  1119.60  117.346   20.592   4.0527   20.955   6.0489   20.296   5.4591  1095.01  182.867  1087.28  165.575 7.727051 246.6893 
1 1 1  -38   12   14 o  315.261  141.309  -0.9801   2.8842   4.7954   4.7029  -4.4618   3.6515  555.494  204.910  293.943  140.543 261.5515 248.4763 
1 1 1  -38   12   16 o  386.709  159.717   1.0889   3.1407  -0.0878   5.1810   1.7724   3.9490  443.186  194.461  440.728  180.224 2.457214 265.1336 
1 1 1  -38   12   18 o  607.288  171.305   6.5125   3.3988   10.342   5.1226   3.5009   4.5427  748.361  210.028  509.105  198.146 239.2556 288.7451 
1 1 1  -38   12   20 o  438.675  166.181   2.6469   3.1362   7.9841   4.4797  -2.4837   4.3921  661.937  199.568  362.162  166.942 299.7749 260.1871 
1 1 1  -38   12   22 o  243.653  118.201  -4.3800   2.8146   4.1465   4.3501 -10.5196   3.6914  520.471  196.061  229.065  115.141 291.4064 227.3707 
1 1 1  -38   12   24 o  635.654  185.238   7.3908   3.9127   7.8879   5.1012   6.6806   6.0978  650.209  215.207  618.567  232.301 31.64227 316.6665 
1 1 1  -38   12   26 o  572.264  167.816   5.9031   3.2023   7.3880   4.9559   4.8388   4.1959  628.252  212.187  534.838  194.115 93.41370 287.5825 
1 1 1  -38   12   28 o  334.520  146.058  -0.0299   2.8910  -4.2541   4.8408   2.3120   3.6044  348.429  165.229  434.076  174.100 -85.64642 240.0232 
1 1 1  -38   12   30 o  556.108  182.688   5.7285   3.6786   8.5541   5.0072   2.4150   5.4222  656.160  213.023  483.935  205.489 172.2253 295.9812 
1 1 1  -38   12   32 o  730.629  186.236   10.349   4.2733   4.3596   5.3917   20.468   7.0082  522.873  211.796  990.409  230.336 -467.5361 312.9093 
1 1 1  -38   12   34 o  347.010  157.905  -0.9593   3.7642   3.0289   4.6614  -8.4355   6.3821  468.250  194.083  351.442  172.120 116.8081 259.4102 
1 1 1  -38   12   36 o  744.689  210.597   11.988   5.1300   9.0203   7.0794   15.270   7.4442  619.736  245.491  774.815  260.063 -155.0790 357.6290 
1 1 1  -38   12   38 o  871.891  139.065   14.016   3.6691   7.9754   5.5719   18.640   4.8753  585.455  221.571  979.467  164.816 -394.0120 276.1485 
1 1 1  -38   13    1 o  466.117  171.838   3.1563   3.3066   6.2036   5.1609   1.0344   4.3065  608.553  215.953  435.700  183.964 172.8528 283.6870 
1 1 1  -38   13    3 o  561.181  170.454   5.4247   3.2591   9.0973   4.6564   1.8977   4.5631  710.967  200.493  468.074  192.837 242.8923 278.1790 
1 1 1  -38   13    5 o  404.105  160.928   1.6831   3.0572  -2.8693   5.0366   4.3389   3.8469  388.602  178.999  524.536  186.413 -135.9339 258.4384 
1 1 1  -38   13    7 o  375.612  158.091   0.6427   3.1642   7.5697   4.8653  -4.4345   4.1654  654.536  209.730  322.623  153.072 331.9125 259.6490 
1 1 1  -38   13    9 o  312.144  143.553  -2.0336   3.2219   1.0611   6.6664  -2.9769   3.6803  519.181  224.261  320.199  149.376 198.9826 269.4555 
1 1 1  -38   13   11 o  912.967  131.703   13.915   3.6561   14.576   5.2137   13.275   5.1284  907.028  189.675  862.221  194.574 44.80695 271.7276 
1 1 1  -38   13   13 o  326.021  145.907  -0.9810   3.0624   1.2045   5.1026  -2.2115   3.8287  469.883  199.421  341.832  156.939 128.0509 253.7694 
1 1 1  -38   13   15 o  836.733  143.260   11.885   3.6185   17.632   5.3056   6.8865   4.9477  1006.30  174.716  628.541  212.012 377.7610 274.7267 
1 1 1  -38   13   17 o  298.370  136.473  -1.6120   2.8581   5.6254   4.4515  -6.6878   3.7279  578.099  200.920  268.736  131.601 309.3632 240.1822 
1 1 1  -38   13   19 o  774.037  146.520   10.293   3.4212   8.0063   5.2876   11.939   4.4869  664.448  219.063  818.648  179.945 -154.2001 283.4939 
1 1 1  -38   13   21 o  507.531  171.572   4.3048   3.2403   1.7039   5.1801   5.9767   4.1531  478.513  201.886  584.092  194.221 -105.5789 280.1426 
1 1 1  -38   13   23 o  415.294  164.726   1.9893   3.1914   1.5435   5.3195   2.2400   3.9890  476.858  203.034  451.276  182.392 25.58145 272.9284 
1 1 1  -38   13   25 o  386.707  157.711   1.3984   3.0139   5.4499   4.8390  -1.1692   3.8522  566.839  208.043  358.543  161.783 208.2960 263.5446 
1 1 1  -38   13   27 o  376.605  157.123   1.0415   3.0837   3.7863   4.6092  -1.1826   4.1491  508.050  199.076  370.137  167.376 137.9125 260.0880 
1 1 1  -38   13   29 o  410.174  183.015  -0.3204   4.7795  -0.3204   4.7795   0.0000   0.0000  410.174  183.015  ?   ?  0.000000 183.0152 
1 1 1  -38   13   31 o  432.439  180.176   1.9203   4.0472   1.5457   4.9936   2.6374   6.9095  451.993  194.669  520.394  226.543 -68.40070 298.6938 
1 1 1  -38   13   33 o  392.924  171.727   0.5749   4.0051   1.4705   4.9777  -1.0695   6.7449  444.394  192.868  449.608  207.116 -5.213776 283.0108 
1 1 1  -38   13   35 o  349.485  156.098  -0.2325   3.4866   8.1324   6.1420  -4.2097   4.2351  612.786  232.459  313.530  150.292 299.2569 276.8120 
1 1 1  -38   13   37 o  784.950  151.425   11.551   3.5870   15.532   5.2606   8.0916   4.9037  863.507  198.689  607.290  210.887 256.2173 289.7422 
1 1 1  -38   14    2 o  388.358  164.174   0.6324   3.4365   7.1440   5.1196  -4.7077   4.6362  640.986  215.666  342.164  162.095 298.8223 269.7895 
1 1 1  -38   14    4 o  411.677  166.143   1.5868   3.3046   9.0258   5.1541  -3.6063   4.3063  707.695  214.221  342.683  160.425 365.0114 267.6317 
1 1 1  -38   14    6 o  603.598  174.788   6.3385   3.4935   4.0983   5.2858   8.0761   4.6552  550.620  213.895  673.869  203.501 -123.2485 295.2350 
1 1 1  -38   14    8 o  366.972  155.926   0.4039   3.1256  -1.1570   5.2328   1.2697   3.8973  427.599  191.092  427.018  177.268 0.5810852 260.6530 
1 1 1  -38   14   10 o  373.350  168.585  -1.5684   4.1917  -3.5415   7.2003  -0.5570   5.1553  463.765  213.768  435.800  192.493 27.96481 287.6633 
1 1 1  -38   14   12 o  452.921  169.335   2.8394   3.2331   6.4648   5.2750   0.6580   4.0918  620.467  218.525  418.462  178.118 202.0050 281.9208 
1 1 1  -38   14   14 o  978.737  129.059   15.927   3.8588   18.244   5.6306   13.875   5.2987  1021.07  182.821  880.237  197.145 140.8348 268.8674 
1 1 1  -38   14   16 o  451.060  182.702   2.0159   4.0119   2.7782   4.8020   0.2538   7.3007  498.598  200.608  521.623  229.803 -23.02551 305.0464 
1 1 1  -38   14   18 o  633.312  165.315   7.0449   3.3134   6.1321   5.0186   7.7503   4.4116  602.427  213.042  657.140  198.027 -54.71277 290.8640 
1 1 1  -38   14   20 o  617.190  169.360   6.7325   3.3720   3.5070   5.3282   8.8873   4.3550  529.243  211.887  700.301  192.595 -171.0583 286.3371 
1 1 1  -38   14   22 o  491.086  178.026   3.7649   3.5277   5.1465   5.6644   2.8896   4.5088  577.582  222.241  488.079  195.089 89.50250 295.7205 
1 1 1  -38   14   24 o  460.096  169.352   3.2000   3.2098   0.5377   4.9313   5.1570   4.2280  441.555  191.802  551.998  195.509 -110.4438 273.8826 
1 1 1  -38   14   26 o  498.210  181.646   3.9887   3.6802   0.8945   5.7779   6.1010   4.7739  474.227  206.786  586.952  207.761 -112.7250 293.1300 
1 1 1  -38   14   28 o  524.404  203.551   4.2428   4.7840   4.2428   4.7840   0.0000   0.0000  524.404  203.551  ?   ?  0.000000 203.5511 
1 1 1  -38   14   30 o  497.733  191.098   3.8988   4.1823   9.1744   5.1156  -6.7349   7.2628  681.360  214.713  407.502  195.729 273.8581 290.5368 
1 1 1  -38   14   32 o  503.330  191.015   4.2468   4.1483   1.8056   5.1003   9.0174   7.1300  459.492  197.300  657.028  250.166 -197.5358 318.6067 
1 1 1  -38   14   34 o  521.854  179.943   5.0825   3.5671   5.5220   5.1896   4.6889   4.9113  546.996  212.091  520.594  205.026 26.40204 294.9890 
1 1 1  -38   15    1 o  538.760  186.964   4.6986   3.8539   2.2017   6.5430   6.0251   4.7690  538.705  227.068  600.069  207.993 -61.36365 307.9300 
1 1 1  -38   15    3 o  416.707  174.392   1.0148   3.8155   8.3443   6.3328  -3.1623   4.7807  690.275  239.658  373.106  172.751 317.1691 295.4292 
1 1 1  -38   15    5 o  756.144  179.708   10.043   4.1922   12.657   7.0565   8.6173   5.2116  822.124  251.061  694.802  216.361 127.3216 331.4265 
1 1 1  -38   15    7 o  862.045  165.161   12.788   4.2958   12.244   7.3879   13.067   5.2803  808.867  258.365  855.309  200.626 -46.44189 327.1132 
1 1 1  -38   15    9 o  444.303  170.580   2.4908   3.3324   8.2389   4.9065  -2.4310   4.5402  681.137  209.574  374.487  171.551 306.6502 270.8344 
1 1 1  -38   15   11 o  482.011  187.964   2.8683   4.0939  -9.8409   8.8316   6.3468   4.6203  449.658  215.939  610.683  204.883 -161.0252 297.6691 
1 1 1  -38   15   13 o  535.731  175.823   4.7869   3.4076   3.2984   5.3098   5.8293   4.4434  529.615  211.702  589.483  200.906 -59.86792 291.8582 
1 1 1  -38   15   15 o  557.467  176.893   5.2983   3.4676   0.9941   4.9377   9.4865   4.8707  459.883  195.705  725.138  205.255 -265.2556 283.6019 
1 1 1  -38   15   17 o  506.632  192.052   3.6202   4.1904   4.1954   4.8153   1.8252   8.5061  539.994  205.591  580.597  252.052 -40.60333 325.2660 
1 1 1  -38   15   19 o  509.309  178.341   4.1657   3.5104   4.9506   5.7686   3.7040   4.4238  580.000  223.966  513.934  196.724 66.06592 298.0958 
1 1 1  -38   15   21 o  361.054  161.260  -0.9254   3.7208   0.0000   6.8240  -1.3170   4.4386  499.231  220.940  386.857  174.192 112.3740 281.3494 
1 1 1  -38   15   23 o  410.333  170.295   1.2857   3.5953   3.4499   6.2625   0.2216   4.3911  548.124  225.873  415.759  180.794 132.3652 289.3184 
1 1 1  -38   15   25 o  907.530  175.417   14.699   4.8045   15.385   5.9630   13.431   8.1114  903.071  214.128  808.419  271.467 94.65131 345.7533 
1 1 1  -38   15   27 o  853.258  229.816   14.320   6.2775   14.320   6.2775   0.0000   0.0000  853.258  229.816  ?   ?  0.000000 229.8160 
1 1 1  -38   15   29 o  558.427  197.363   5.5375   4.3064   1.3657   5.2090   14.545   7.6543  461.891  198.879  824.306  262.949 -362.4152 329.6893 
1 1 1  -38   15   31 o  360.872  155.450   0.4474   3.1853  -0.5160   5.1567   1.0417   4.0504  418.459  188.151  411.807  176.296 6.652008 257.8392 
1 1 1  -38   15   33 o  530.643  182.719   5.1842   3.6774   7.2319   5.6997   3.7238   4.8133  605.541  225.141  497.982  200.675 107.5591 301.5936 
1 1 1  -38   16    2 o  388.914  167.223   0.2030   3.6728   4.7956   6.2733  -2.1922   4.5305  592.918  232.272  378.357  172.580 214.5610 289.3686 
1 1 1  -38   16    4 o  294.652  140.287  -4.1531   3.5584  -4.8556   6.0462  -3.7808   4.4015  404.175  189.492  345.567  161.907 58.60736 249.2410 
1 1 1  -38   16    6 o  698.265  187.994   8.5945   4.2016   13.897   7.1046   5.7425   5.2104  862.521  249.114  600.041  216.537 262.4796 330.0698 
1 1 1  -38   16    8 o  542.468  188.831   4.7071   3.9327   7.3306   6.7243   3.3432   4.8484  668.537  245.262  519.984  204.052 148.5534 319.0467 
1 1 1  -38   16   10 o  424.754  177.954   1.0229   3.9794  -7.1238   6.8418   5.1878   4.8919  408.215  194.401  576.746  209.555 -168.5308 285.8415 
1 1 1  -38   16   12 o  373.429  165.236  -0.7305   3.8152   8.1068   6.6148  -5.1359   4.6703  687.574  244.433  338.878  161.165 348.6958 292.7824 
1 1 1  -38   16   14 o  484.470  182.414   3.2454   3.7648   4.8574   7.0438   2.6007   4.4544  610.152  243.855  485.525  193.964 124.6277 311.5880 
1 1 1  -38   16   16 o  407.461  169.787   1.0409   3.5946   0.6137   6.9762   1.1954   4.1942  520.964  227.192  436.703  182.808 84.26096 291.6075 
1 1 1  -38   16   18 o  594.973  220.242   5.6017   5.4425  -0.6205   7.2373   13.700   8.2568  506.440  225.644  839.812  273.593 -333.3719 354.6387 
1 1 1  -38   16   20 o  474.824  183.527   2.9482   3.8763   3.7632   6.2684   2.4436   4.9326  561.554  228.052  492.924  201.479 68.63016 304.3044 
1 1 1  -38   16   22 o  505.135  204.204   2.9112   5.0013   4.4403   7.4166   1.6360   6.7729  598.409  246.107  527.188  226.886 71.22052 334.7322 
1 1 1  -38   16   24 o  448.722  193.947   0.6700   4.9921  -3.2062   6.4776   6.3397   7.8341  435.493  201.442  640.945  256.813 -205.4520 326.3923 
1 1 1  -38   16   26 o  319.586  157.686 -10.6966   5.6883 -10.6966   5.6883   0.0000   0.0000  319.586  157.686  ?   ?  0.000000 157.6857 
1 1 1  -38   16   28 o  693.403  189.344   8.9342   4.2268   8.5206   8.0135   9.0936   4.9752  676.244  263.178  690.646  210.787 -14.40137 337.1848 
1 1 1  -38   16   30 o  755.264  190.478   10.749   4.5039  -0.9941   8.0076   16.184   5.4473  499.325  228.405  929.491  193.455 -430.1656 299.3223 
1 1 1  -38   17    3 o  450.732  171.220   2.6433   3.3351  -6.0851   5.1211   9.0714   4.3948  348.325  166.516  716.433  192.006 -368.1087 254.1536 
1 1 1  -38   17    5 o  472.806  180.575   2.8995   3.7221   9.1654   5.5175  -2.3334   5.0421  716.901  222.517  400.277  182.379 316.6239 287.7080 
1 1 1  -38   17    7 o  294.213  139.811  -3.9964   3.5013  -5.9240   5.2635  -2.4663   4.6893  357.245  170.233  381.981  174.750 -24.73590 243.9606 
1 1 1  -38   17    9 o  474.508  183.713   2.7849   3.8893  -3.3083   6.0167   7.1584   5.0974  425.800  195.951  646.305  215.184 -220.5053 291.0338 
1 1 1  -38   17   11 f  436.075  177.575   1.6466   3.8136   6.0793   5.8759  -1.5794   5.0127  622.096  229.111  412.329  185.440 209.7675 294.7536 
1 1 1  -38   17   13 o  497.413  188.466   3.3657   4.0341   5.5292   6.2960   1.8588   5.2545  613.763  234.747  494.029  205.521 119.7336 312.0022 
1 1 1  -38   17   15 o  557.984  190.999   5.1023   4.0161  -0.9313   6.3655   9.0922   5.1764  475.645  211.793  712.228  214.482 -236.5829 301.4280 
1 1 1  -38   17   17 o  407.904  172.633   0.7104   3.8067  -4.0803   6.1110   3.7482   4.8661  416.188  193.595  530.232  205.435 -114.0439 282.2813 
1 1 1  -38   17   19 o  456.819  200.401  -0.1127   5.4997  -2.2205   7.2353   2.7717   8.4639  482.276  219.249  596.886  255.169 -114.6099 336.4250 
1 1 1  -38   17   21 o  385.906  175.964  -2.0840   4.7049   4.4885   5.7946 -14.8006   8.0602  568.806  223.118  380.400  187.694 188.4057 291.5662 
1 1 1  -38   17   23 o  354.111  169.051  -5.7458   5.2409  -2.5925   6.9634  -9.8656   7.9594  463.390  212.344  414.940  200.672 48.45038 292.1624 
1 1 1  -38   17   25 o  799.767  188.742   11.612   4.6505   11.793   7.9753   11.519   5.7244  772.173  268.900  778.921  223.217 -6.747986 349.4752 
1 1 1  -38   18    8 f  606.117  180.374   6.3164   3.6771   9.3802   5.6642   4.0848   4.8341  726.091  225.471  543.336  206.202 182.7552 305.5424 
1 1 1  -38   18   10 o  271.437  131.594  -5.4599   3.4733  -8.9153   5.3995  -3.0209   4.5364  329.989  160.899  365.583  168.919 -35.59390 233.2855 
1 1 1  -38   18   12 o  666.427  201.641   7.7760   4.5672   20.931   10.183   4.4634   5.1100  1031.82  298.305  560.710  212.194 471.1068 366.0765 
1 1 1  -38   18   14 o  592.085  188.138   5.9712   3.9214   7.8332   5.6205   4.2052   5.4737  672.647  225.972  561.285  217.768 111.3615 313.8253 
1 1 1  -38   18   16 o  337.626  159.350  -4.3090   4.4035  -3.8708   4.9296  -6.0395   9.7964  369.603  172.576  518.164  242.382 -148.5602 297.5423 
1 1 1  -38   18   18 o  470.256  193.447   1.8910   4.5836   5.5240   5.1705 -11.4422   9.9052  590.705  215.315  468.792  226.004 121.9128 312.1514 
1 1 1  -37    0    1 o  598.572  230.668   7.9843   4.0977   7.9843   4.0977   7.9843   4.0977  598.572  230.668  598.572  230.668 -0.000000 0.000000 
1 1 1  -37    0    3 o  762.935  224.479   11.596   4.6601   11.596   4.6601   11.596   4.6601  762.935  224.479  762.935  224.479 -0.000000 0.000000 
1 1 1  -37    0    5 o  208.013  149.339  -7.4267   4.6500  -7.4267   4.6500  -7.4267   4.6500  208.013  149.339  208.013  149.339 -0.000000 0.000000 
1 1 1  -37    0    7 o  1036.60  161.592   18.411   4.8653   18.411   4.8653   18.411   4.8653  1036.60  161.592  1036.60  161.592 -0.000000 0.000000 
1 1 1  -37    0    9 o  268.493  176.858  -0.5457   3.7977  -0.5457   3.7977  -0.5457   3.7977  268.493  176.858  268.493  176.858 -0.000000 0.000000 
1 1 1  -37    0   11 o  1075.24  283.550   22.600   8.2481   22.600   8.2481   22.600   8.2481  1075.24  283.550  1075.24  283.550 -0.000000 0.000000 
1 1 1  -37    0   13 o  1127.08  279.795   24.408   8.5457   24.408   8.5457   24.408   8.5457  1127.08  279.795  1127.08  279.795 -0.000000 0.000000 
1 1 1  -37    0   15 o  475.362  278.344   4.9102   6.9409   4.9102   6.9409   4.9102   6.9409  475.362  278.344  475.362  278.344 -0.000000 0.000000 
1 1 1  -37    0   17 o  1709.96  200.886   49.435   10.367   49.435   10.367   49.435   10.367  1709.96  200.886  1709.96  200.886 -0.000000 0.000000 
1 1 1  -37    0   19 o  342.772  224.197  -0.2397   5.9450  -0.2397   5.9450  -0.2397   5.9450  342.772  224.197  342.772  224.197 -0.000000 0.000000 
1 1 1  -37    0   21 o  1107.33  287.897   23.997   8.6262   23.997   8.6262   23.997   8.6262  1107.33  287.897  1107.33  287.897 -0.000000 0.000000 
1 1 1  -37    0   23 o  294.687  186.479   0.7303   3.6968   0.7303   3.6968   0.7303   3.6968  294.687  186.479  294.687  186.479 -0.000000 0.000000 
1 1 1  -37    0   25 o  1298.39  144.702   28.003   5.6960   28.003   5.6960   28.003   5.6960  1298.39  144.702  1298.39  144.702 -0.000000 0.000000 
1 1 1  -37    0   27 o  1421.37  139.669   33.323   6.0785   33.323   6.0785   33.323   6.0785  1421.37  139.669  1421.37  139.669 -0.000000 0.000000 
1 1 1  -37    0   29 o  1037.44  170.854   18.761   5.0977   18.761   5.0977   18.761   5.0977  1037.44  170.854  1037.44  170.854 -0.000000 0.000000 
1 1 1  -37    0   31 o  371.193  211.779   3.1328   3.8616   3.1328   3.8616   3.1328   3.8616  371.193  211.779  371.193  211.779 -0.000000 0.000000 
1 1 1  -37    0   33 o  318.417  195.389   1.6349   3.7517   1.6349   3.7517   1.6349   3.7517  318.417  195.389  318.417  195.389 -0.000000 0.000000 
1 1 1  -37    0   35 o  257.822  171.824  -0.8253   3.7609  -0.8253   3.7609  -0.8253   3.7609  257.822  171.824  257.822  171.824 -0.000000 0.000000 
1 1 1  -37    0   37 o  422.971  220.852   4.5156   3.8298   4.5156   3.8298   4.5156   3.8298  422.971  220.852  422.971  220.852 -0.000000 0.000000 
1 1 1  -37    0   39 o  1574.31  138.774   41.178   6.7187   41.178   6.7187   41.178   6.7187  1574.31  138.774  1574.31  138.774 -0.000000 0.000000 
1 1 1  -37    0   41 o  572.336  243.492   7.9596   4.4351   7.9596   4.4351   7.9596   4.4351  572.336  243.492  572.336  243.492 -0.000000 0.000000 
1 1 1  -37    0   43 o  1325.30  148.300   29.810   5.9566   29.810   5.9566   29.810   5.9566  1325.30  148.300  1325.30  148.300 -0.000000 0.000000 
1 1 1  -37    0   45 o  200.343  145.083  -8.8352   4.8594  -8.8352   4.8594  -8.8352   4.8594  200.343  145.083  200.343  145.083 -0.000000 0.000000 
1 1 1  -37    0   47 o  982.067  204.489   18.169   5.5444   18.169   5.5444   18.169   5.5444  982.067  204.489  982.067  204.489 -0.000000 0.000000 
1 1 1  -37    0   49 o  565.163  249.663   8.1283   4.6461   8.1283   4.6461   8.1283   4.6461  565.163  249.663  565.163  249.663 -0.000000 0.000000 
1 1 1  -37    1    2 o  1108.75  106.086   19.934   3.6381   17.439   5.2972   22.160   5.0053  1007.76  174.169  1154.88  141.366 -147.1172 224.3193 
1 1 1  -37    1    4 o  1085.50  116.863   19.216   3.9095   18.432   6.3514   19.693   4.9606  1022.90  205.433  1085.60  149.933 -62.70544 254.3277 
1 1 1  -37    1    6 o  707.708  150.324   8.5025   3.2283   12.353   4.0822   2.0727   5.2749  853.605  158.565  503.272  207.333 350.3325 261.0171 
1 1 1  -37    1    8 o  438.962  169.050   2.3135   3.2797   4.3081   3.7698  -3.8965   6.6517  527.443  184.805  444.882  205.203 82.56152 276.1544 
1 1 1  -37    1   10 o  531.247  188.923   4.2994   3.9518   2.1955   4.8838   8.2892   6.7255  493.665  200.982  702.670  246.807 -209.0051 318.2883 
1 1 1  -37    1   12 o  428.981  185.567   0.0462   4.5776  -2.7581   6.5084   2.7916   6.4397  455.933  207.532  556.546  229.160 -100.6134 309.1660 
1 1 1  -37    1   14 o  1396.43  151.054   32.369   6.4997   29.495   9.1270   35.326   9.2583  1282.59  235.954  1420.85  214.801 -138.2626 319.0829 
1 1 1  -37    1   16 o  446.469  185.604   1.3096   4.2811  -1.4063   6.1849   3.8078   5.9318  463.997  207.526  564.472  224.362 -100.4751 305.6228 
1 1 1  -37    1   18 o  906.323  184.749   14.321   5.0652   19.397   7.1231   9.1297   7.2041  1035.33  226.060  724.053  255.336 311.2811 341.0269 
1 1 1  -37    1   20 o  430.963  184.516   0.5341   4.4377  -1.1913   6.6237   1.9393   5.9777  480.023  214.723  517.898  217.600 -37.87427 305.7052 
1 1 1  -37    1   22 o  616.215  209.368   6.5285   4.8254   6.2826   6.4036   6.8515   7.3401  629.300  237.686  657.549  252.994 -28.24872 347.1319 
1 1 1  -37    1   24 o  633.682  152.280   6.9951   2.9840   11.019   4.1904   2.8551   4.2503  788.668  174.323  481.534  190.383 307.1346 258.1364 
1 1 1  -37    1   26 o  1322.60   96.216   28.445   3.9574   24.661   5.5824   32.266   5.6108  1198.36  152.204  1388.05  130.630 -189.6912 200.5748 
1 1 1  -37    1   28 o  617.518  158.089   6.8328   3.0699   6.1218   4.8175   7.3190   3.9833  585.254  208.542  628.846  187.872 -43.59216 280.6881 
1 1 1  -37    1   30 o  1086.64  110.961   19.770   3.7225   23.695   5.3096   15.977   5.2204  1161.62  149.442  923.282  186.984 238.3375 239.3654 
1 1 1  -37    1   32 o  1106.00  104.598   20.507   3.5794   23.254   5.2970   18.199   4.8557  1138.61  152.396  998.965  160.681 139.6493 221.4562 
1 1 1  -37    1   34 o  823.455  152.619   12.518   3.7903   4.6531   6.3363   16.900   4.7298  529.184  223.274  947.629  165.419 -418.4448 277.8753 
1 1 1  -37    1   36 o  269.913  126.043  -1.7128   2.6308  -3.2815   4.1136  -0.6272   3.4222  316.231  150.635  332.616  151.048 -16.38492 213.3223 
1 1 1  -37    1   38 o  975.782  141.762   17.852   4.2047   14.283   7.5341   19.466   5.0672  698.429  259.012  985.526  170.368 -287.0970 310.0203 
1 1 1  -37    1   40 o  378.043  153.287   2.2747   2.8273   6.7951   3.9006  -2.7290   4.1039  543.037  188.114  312.202  149.196 230.8355 240.0966 
1 1 1  -37    1   42 o  888.157  134.094   15.319   3.6131   16.369   5.0423   14.211   5.1797  826.550  197.520  737.063  212.657 89.48700 290.2359 
1 1 1  -37    1   44 o  1914.74  114.059   68.870   6.8074   72.587   11.669   66.952   8.3814  1569.20  245.537  1778.30  151.980 -209.1008 288.7667 
1 1 1  -37    1   46 o  1912.01  116.333   71.373   6.9317   73.168   8.5624   67.960   11.808  1814.69  152.091  1300.71  296.506 513.9753 333.2376 
1 1 1  -37    1   48 o  1277.03  106.713   31.965   4.2280   32.876   5.9410   31.031   6.0184  1132.02  173.108  1067.26  186.903 64.75452 254.7530 
1 1 1  -37    2    1 o  236.995  114.173  -3.6595   2.5166  -1.8933   3.3764  -5.8671   3.7747  324.747  148.460  282.719  137.091 42.02747 202.0753 
1 1 1  -37    2    3 o  913.149  120.777   13.709   3.3686   14.594   4.7331   12.801   4.7955  922.648  170.095  856.783  184.225 65.86523 250.7412 
1 1 1  -37    2    5 o  459.514  158.486   3.2513   2.7672   3.8737   3.9746   2.6658   3.8550  515.483  188.646  470.904  182.739 44.57953 262.6420 
1 1 1  -37    2    7 o  509.052  186.614   3.7342   3.8919   3.7342   3.8919   0.0000   0.0000  509.052  186.614  ?   ?  0.000000 186.6142 
1 1 1  -37    2    9 o  580.235  173.333   5.7116   3.3908   7.2215   4.1224   2.5536   5.9619  646.854  190.609  537.286  220.775 109.5677 291.6741 
1 1 1  -37    2   11 o  521.534  198.740   3.5973   4.5022   4.2986   6.7871   3.0462   6.0166  600.107  239.529  550.314  223.447 49.79370 327.5710 
1 1 1  -37    2   13 o  1283.02  152.042   27.377   5.9894   22.139   8.6776   32.142   8.2771  1094.99  257.427  1364.55  199.622 -269.5629 325.7574 
1 1 1  -37    2   15 o  921.998  178.593   14.651   4.9697   12.251   6.9537   17.156   7.1053  818.694  249.050  970.783  236.034 -152.0889 343.1295 
1 1 1  -37    2   17 o  420.462  180.347   0.3502   4.2534   0.7020   6.0224   0.0000   6.0079  496.371  213.784  482.139  210.532 14.23224 300.0453 
1 1 1  -37    2   19 o  1137.56  167.330   22.035   5.7822   15.146   8.6241   27.661   7.7933  887.491  278.645  1252.95  205.789 -365.4609 346.3984 
1 1 1  -37    2   21 o  973.175  165.565   16.275   4.8645   16.972   7.2458   15.703   6.5636  950.320  242.653  921.560  228.569 28.76019 333.3535 
1 1 1  -37    2   23 o  370.632  148.532   1.3258   2.6211  -2.2184   4.0116   3.9661   3.4624  350.202  160.732  500.365  176.956 -150.1625 239.0561 
1 1 1  -37    2   25 o  546.529  160.743   5.2188   2.9342   4.9448   4.3258   5.4522   3.9933  548.477  197.381  562.596  190.466 -14.11847 274.2931 
1 1 1  -37    2   27 o  753.844  138.033   9.7985   3.1382   6.9556   4.6313   12.212   4.2671  616.384  205.105  825.474  170.720 -209.0898 266.8588 
1 1 1  -37    2   29 o  715.668  146.795   9.0538   3.1792   13.388   4.6247   5.1699   4.3776  853.081  178.849  545.067  198.205 308.0145 266.9688 
1 1 1  -37    2   31 o  391.640  156.183   1.8860   2.8833   4.5215   4.3349  -0.2049   3.8612  515.353  195.340  372.480  165.453 142.8726 255.9933 
1 1 1  -37    2   33 f  353.741  150.970   0.7614   2.9537   6.7618   4.5560  -3.5894   3.8795  581.658  203.200  307.422  146.398 274.2357 250.4447 
1 1 1  -37    2   35 o  787.516  135.326   11.203   3.2168   12.262   4.8442   10.367   4.3022  765.164  199.964  711.048  189.716 54.11591 275.6405 
1 1 1  -37    2   37 o  494.312  175.980   4.8736   3.4298   4.8748   4.2484   4.8714   5.8119  495.641  191.977  506.059  213.693 -10.41788 287.2625 
1 1 1  -37    2   39 o  435.606  170.153   3.5657   3.3591   2.1193   5.6928   4.3384   4.1607  436.078  196.729  466.230  187.033 -30.15265 271.4473 
1 1 1  -37    2   41 o  576.648  164.970   7.1793   3.1292   7.1864   4.3808   7.1718   4.4713  537.870  197.867  535.595  199.355 2.274292 280.8804 
1 1 1  -37    2   43 o  266.218  129.207  -3.3005   3.3735  -6.4082   5.9536  -1.8309   4.0942  318.116  157.742  313.204  149.493 4.910980 217.3265 
1 1 1  -37    2   45 o  944.154  121.318   17.429   3.5037   19.332   5.1297   15.766   4.7969  872.216  192.938  772.012  197.602 100.2043 276.1735 
1 1 1  -37    2   47 o  283.711  131.781  -0.0414   2.8151   0.3282   3.8641  -0.4594   4.1096  317.273  149.601  310.650  148.684 6.622986 210.9199 
1 1 1  -37    2   49 o  412.834  163.630   5.2020   3.1469   5.1317   4.2894   5.2840   4.6310  386.172  172.764  384.879  175.140 1.292572 246.0107 
1 1 1  -37    3    2 o  645.088  180.004   7.2587   3.7740   6.8760   4.4781   8.1967   7.0113  630.875  201.113  695.857  251.175 -64.98218 321.7686 
1 1 1  -37    3    4 o  796.984  156.178   10.813   3.7581   10.824   4.5294   10.788   6.7328  786.123  186.771  772.415  246.637 13.70819 309.3749 
1 1 1  -37    3    6 f  423.814  167.473   1.8860   3.2872   3.7605   3.7621  -4.1644   6.7591  506.109  183.789  444.433  205.646 61.67642 275.8059 
1 1 1  -37    3    8 o  250.122  122.960  -6.6415   3.3541  -6.6415   3.3541   0.0000   0.0000  250.122  122.960  ?   ?  0.000000 122.9604 
1 1 1  -37    3   10 o  676.699  173.160   7.9068   3.6843   6.8779   4.5525   9.8598   6.2720  635.443  202.797  746.370  238.018 -110.9270 312.6966 
1 1 1  -37    3   12 o  620.170  200.899   6.4987   4.4550   1.3641   6.3126   11.594   6.2882  521.879  221.665  801.977  235.155 -280.0972 323.1613 
1 1 1  -37    3   14 o  733.758  194.251   9.4560   4.5332   10.510   6.3399   8.3540   6.4843  765.568  238.673  700.076  242.539 65.49194 340.2795 
1 1 1  -37    3   16 o  617.724  196.963   6.5150   4.2950   3.6829   7.0313   8.2007   5.4247  589.296  240.675  685.576  221.647 -96.28009 327.1879 
1 1 1  -37    3   18 o  491.080  186.786   3.2181   3.9722   4.1885   5.9454   2.4357   5.3386  572.156  225.501  511.252  209.362 60.90356 307.7064 
1 1 1  -37    3   20 o  571.530  193.533   5.4406   4.1230   3.7771   6.3663   6.6423   5.4110  569.539  230.339  629.182  221.353 -59.64294 319.4575 
1 1 1  -37    3   22 o  2371.39  107.617   91.009   7.9909   92.334   14.439   90.424   9.5942  2288.52  203.618  2342.03  131.358 -53.51025 242.3120 
1 1 1  -37    3   24 o  914.655  116.492   13.863   3.2606   16.603   4.6720   11.262   4.5527  981.678  157.303  790.644  186.854 191.0341 244.2513 
1 1 1  -37    3   26 o  1418.24   94.560   32.666   4.1752   30.872   6.1121   34.236   5.7169  1344.78  147.578  1430.43  129.026 -85.65161 196.0281 
1 1 1  -37    3   28 o  1392.11   94.531   31.628   4.0962   31.392   6.0026   31.834   5.6038  1351.70  144.040  1370.68  132.205 -18.98633 195.5143 
1 1 1  -37    3   30 o  1130.58  107.681   21.324   3.7660   23.909   5.2539   18.591   5.4008  1168.38  146.854  1004.36  178.263 164.0246 230.9629 
1 1 1  -37    3   32 o  1184.83  105.024   23.536   3.8560   24.371   5.3817   22.655   5.5276  1166.89  150.820  1113.02  163.476 53.86646 222.4211 
1 1 1  -37    3   34 o  710.847  143.353   9.2305   3.0807   10.013   4.5374   8.5609   4.1961  696.384  198.453  647.803  192.663 48.58136 276.5908 
1 1 1  -37    3   36 o  289.333  136.590  -2.4278   3.2390   1.0226   4.0671  -8.4108   5.3556  393.141  172.404  308.716  152.448 84.42505 230.1378 
1 1 1  -37    3   38 o  1114.28  113.534   21.902   3.9060   19.040   5.7745   24.316   5.3033  930.855  203.766  1123.87  154.808 -193.0112 255.9031 
1 1 1  -37    3   40 o  335.988  151.446   0.1682   3.3653   14.327   7.1740  -3.8266   3.8106  677.097  252.421  286.040  138.462 391.0569 287.9028 
1 1 1  -37    3   42 o  448.378  169.264   4.3998   3.2464   2.5400   5.8105   5.2438   3.9143  421.268  193.383  472.695  183.943 -51.42719 266.8930 
1 1 1  -37    3   44 o  703.550  149.667   10.506   3.1958   14.167   4.6928   7.3402   4.3641  739.895  198.459  511.414  195.480 228.4810 278.5647 
1 1 1  -37    3   46 o  642.696  164.733   9.9002   3.3305   5.8799   4.7973   13.641   4.6274  438.500  189.825  686.472  201.850 -247.9725 277.0868 
1 1 1  -37    3   48 o  936.774  132.762   18.986   3.7853   19.368   5.3808   18.611   5.3260  762.057  215.743  741.721  216.114 20.33618 305.3693 
1 1 1  -37    4    1 o  664.077  214.423   7.7519   5.0781   11.222   7.2177   4.3507   7.1459  778.993  255.898  601.491  243.764 177.5019 353.4183 
1 1 1  -37    4    3 o  1052.85  159.957   18.761   5.1074   25.838   6.9785   10.596   7.4952  1222.68  188.322  765.998  260.933 456.6819 321.7939 
1 1 1  -37    4    5 o  1103.76  130.798   20.062   4.4326   20.910   5.2968   18.080   8.0971  1116.11  155.811  983.196  259.292 132.9097 302.5054 
1 1 1  -37    4    7 o  739.445  167.221   9.4090   3.7811   6.2447   4.6428   15.641   6.5156  612.281  205.381  931.762  225.708 -319.4805 305.1646 
1 1 1  -37    4    9 o  691.663  170.532   8.2557   3.6699   8.5158   4.2779   7.5305   7.1421  698.428  190.390  686.006  252.601 12.42181 316.3152 
1 1 1  -37    4   11 o  602.029  199.586   6.0333   4.3869   6.3826   6.2909   5.7027   6.1207  642.047  236.961  620.276  232.777 21.77124 332.1679 
1 1 1  -37    4   13 o  1475.68  137.114   35.771   6.2632   32.765   9.4515   38.125   8.3630  1356.46  230.790  1498.15  182.015 -141.6873 293.9277 
1 1 1  -37    4   15 o  674.312  196.248   7.9529   4.3941  -3.6831   7.2318   14.763   5.5325  467.634  215.064  915.926  198.627 -448.2924 292.7544 
1 1 1  -37    4   17 o  1536.90  130.135   38.725   6.2038   37.486   9.0244   39.836   8.5425  1467.62  201.706  1527.10  182.249 -59.47729 271.8461 
1 1 1  -37    4   19 o  570.098  176.570   5.5548   3.4763  -4.4261   7.1879   8.6021   3.9717  452.886  210.430  699.579  180.204 -246.6934 277.0462 
1 1 1  -37    4   21 o  918.162  118.472   13.916   3.3266   15.113   4.7851   12.797   4.6279  933.915  169.888  853.406  178.906 80.50952 246.7172 
1 1 1  -37    4   23 o  899.742  154.981   13.921   4.2087   17.873   8.0109   12.414   4.9464  953.125  260.834  828.907  194.007 124.2170 325.0742 
1 1 1  -37    4   25 o  1293.81  100.317   27.283   4.0323   26.269   5.5889   28.383   5.8234  1242.53  146.463  1291.96  146.542 -49.43323 207.1853 
1 1 1  -37    4   27 o  969.260  119.485   15.744   3.5496   12.315   5.0557   19.076   4.9848  809.550  200.492  1044.87  157.231 -235.3195 254.7910 
1 1 1  -37    4   29 f  593.188  160.897   6.3893   3.0642   4.2944   4.5146   8.1787   4.1724  517.833  198.610  656.978  191.242 -139.1443 275.7161 
1 1 1  -37    4   31 f  2040.87   92.046   68.210   5.8822   68.261   8.4476   68.162   8.1953  1986.48  136.641  1991.06  132.203 -4.576172 190.1279 
1 1 1  -37    4   33 o  486.459  166.219   4.3171   3.0416   0.5568   4.5160   7.4388   4.1148  407.647  180.105  610.099  192.600 -202.4531 263.6902 
1 1 1  -37    4   35 o  1333.46  116.638   30.775   4.8211   35.628   6.0487   22.323   7.9831  1408.01  139.011  958.494  259.585 449.5114 294.4633 
1 1 1  -37    4   37 o  397.929  153.559   2.5841   2.7104  -1.0070   4.1244   5.3140   3.5960  350.626  161.677  511.245  180.386 -160.6189 242.2365 
1 1 1  -37    4   39 o  1576.91   94.447   42.509   4.6420   46.421   6.9078   39.288   6.2683  1567.95  142.247  1445.45  140.260 122.5078 199.7675 
1 1 1  -37    4   41 o  597.196  182.032   8.1699   3.7121   6.9295   6.9941   8.6564   4.3799  509.084  224.569  590.912  199.476 -81.82864 300.3698 
1 1 1  -37    4   43 f  361.496  152.874   2.0412   2.9815  -1.2209   4.2768   5.1254   4.1586  328.334  155.584  459.625  186.066 -131.2909 242.5431 
1 1 1  -37    4   45 o  1475.77   98.657   39.603   4.5327   37.004   6.4690   42.109   6.3529  1280.57  165.183  1413.06  145.669 -132.4935 220.2378 
1 1 1  -37    4   47 o  1388.64  126.573   39.712   5.4432   39.411   6.4327   40.471   10.214  1289.86  162.904  811.483  301.452 478.3731 342.6525 
1 1 1  -37    5    2 o  414.865  188.865  -2.3082   5.3926   0.0000   0.0000  -2.3082   5.3926  ?   ?   414.865  188.865 0.000000 188.8653 
1 1 1  -37    5    4 f  1028.32  129.843   17.462   4.0877   18.786   4.8465   14.198   7.6086  1058.16  150.514  870.064  259.586 188.0974 300.0656 
1 1 1  -37    5    6 o  838.833  139.144   11.768   3.5267   13.660   4.3649   8.2103   5.9852  896.140  161.493  689.823  233.181 206.3165 283.6432 
1 1 1  -37    5    8 o  395.846  164.258   0.9417   3.3442   0.4223   4.1588   1.8922   5.6257  418.901  178.968  509.933  212.441 -91.03226 277.7780 
1 1 1  -37    5   10 o  472.637  188.502   2.3333   4.2004   5.7640   6.8219   0.2386   5.3306  634.639  243.968  463.183  200.305 171.4559 315.6617 
1 1 1  -37    5   12 o  450.022  184.363   1.6271   4.1419   2.0753   5.9427   1.2038   5.7761  524.374  218.391  499.704  212.132 24.66949 304.4576 
1 1 1  -37    5   14 o  456.848  185.178   1.9077   4.1246  -3.6962   5.8908   7.2969   5.7769  415.921  192.288  659.519  228.902 -243.5988 298.9495 
1 1 1  -37    5   16 o  1038.48  163.890   18.313   5.1525   21.103   7.8901   16.238   6.8035  1072.43  240.852  942.703  232.047 129.7237 334.4476 
1 1 1  -37    5   18 o  577.497  171.755   5.7320   3.3348   6.3044   6.2401   5.5031   3.9454  632.687  235.505  572.693  189.249 59.99353 302.1222 
1 1 1  -37    5   20 o  602.659  154.459   6.2798   2.9282   8.4110   4.3432   4.5036   3.9648  687.019  193.595  533.167  189.273 153.8527 270.7458 
1 1 1  -37    5   22 o  351.369  146.467   0.6981   2.6763  -0.0519   3.8970   1.3676   3.6819  390.517  170.068  418.650  172.923 -28.13379 242.5401 
1 1 1  -37    5   24 o  1054.97  105.886   18.244   3.4506   20.644   5.1468   16.284   4.6507  1097.01  154.082  969.951  158.609 127.0601 221.1290 
1 1 1  -37    5   26 o  1400.10   97.079   31.933   4.2297   32.077   6.1078   31.800   5.8631  1371.91  144.346  1370.23  138.557 1.677856 200.0850 
1 1 1  -37    5   28 o  1328.12   97.141   28.895   4.0117   35.896   5.7299   22.164   5.6187  1459.21  126.660  1116.53  165.742 342.6763 208.5983 
1 1 1  -37    5   30 o  291.203  131.800  -0.9568   2.5794  -2.2364   3.8181   0.1175   3.4985  331.180  153.707  365.803  160.170 -34.62271 221.9913 
1 1 1  -37    5   32 o  472.250  161.902   3.9566   2.8857   1.9745   4.3992   5.4536   3.8232  439.788  185.824  538.818  186.262 -99.02979 263.1044 
1 1 1  -37    5   34 o  1119.02  122.762   21.784   4.2309   25.117   5.4972   16.940   6.6264  1170.98  153.633  868.183  237.076 302.7943 282.5039 
1 1 1  -37    5   36 o  865.536  127.512   13.395   3.3523   15.613   5.4949   12.081   4.2309  851.761  207.859  776.864  177.774 74.89752 273.5121 
1 1 1  -37    5   38 o  248.490  118.490  -2.4715   2.5591  -1.4345   4.1909  -3.0881   3.2315  342.700  159.715  274.724  131.583 67.97672 206.9366 
1 1 1  -37    5   40 f  1184.67  105.331   24.706   3.8665   19.071   5.8931   28.965   5.1234  897.663  212.885  1243.03  133.736 -345.3686 251.4070 
1 1 1  -37    5   42 o  805.201  165.906   13.803   4.0438   17.439   8.4419   12.720   4.6067  664.438  266.461  724.052  197.652 -59.61414 331.7645 
1 1 1  -37    5   44 o  616.513  169.728   8.8329   3.3802   7.3071   5.4333   9.7963   4.3174  491.785  207.084  601.328  197.934 -109.5426 286.4642 
1 1 1  -37    5   46 o  508.402  175.467   6.8916   3.3923   10.431   5.3608   4.5277   4.3809  537.593  213.413  413.895  180.282 123.6975 279.3680 
1 1 1  -37    5   48 o  1194.93  139.700   31.643   5.1284   31.932   6.0150   30.874   9.8141  1103.88  180.239  619.126  269.749 484.7537 324.4232 
1 1 1  -37    6    1 o  645.364  180.405   7.3197   3.7873   9.1326   5.2397   5.3364   5.4805  711.503  216.131  589.826  220.480 121.6761 308.7458 
1 1 1  -37    6    3 o  866.511  186.566   13.186   4.9123   18.930   7.1129   7.9472   6.7921  1018.42  228.652  685.335  247.242 333.0880 336.7647 
1 1 1  -37    6    5 o  399.813  162.040   1.3702   3.1578   0.1962   4.1096   3.0627   4.9344  409.980  176.587  515.564  204.723 -105.5840 270.3601 
1 1 1  -37    6    7 o  493.457  168.684   3.8441   3.1325   3.1894   3.9262   4.9908   5.1960  489.727  185.837  578.964  215.021 -89.23691 284.1997 
1 1 1  -37    6    9 o  689.312  159.664   8.1550   3.3785   9.1095   6.4108   7.7880   3.9754  720.763  241.341  668.614  184.062 52.14850 303.5195 
1 1 1  -37    6   11 o  990.723  133.154   16.234   4.0261   8.6492   7.9491   18.851   4.6693  722.132  266.397  1064.30  143.792 -342.1714 302.7269 
1 1 1  -37    6   13 o  307.134  140.665  -1.8528   3.0501  -3.9784   5.6840  -0.9932   3.6146  402.861  187.167  358.311  159.569 44.54929 245.9546 
1 1 1  -37    6   15 o  706.404  191.668   8.7915   4.3475   6.5591   6.4166   10.686   5.9110  644.936  239.061  768.443  228.696 -123.5071 330.8351 
1 1 1  -37    6   17 o  571.954  172.900   5.6026   3.3592   18.777   7.2110   1.9514   3.7962  1011.99  232.456  443.984  178.461 568.0029 293.0603 
1 1 1  -37    6   19 o  627.356  153.804   6.7977   2.9981   3.8019   4.1914   9.9364   4.2901  514.133  192.689  749.224  184.170 -235.0907 266.5477 
1 1 1  -37    6   21 o  776.201  138.896   10.219   3.2519   6.4598   4.9283   13.119   4.3277  613.472  211.507  869.596  164.973 -256.1235 268.2379 
1 1 1  -37    6   23 o  345.926  145.931   0.5108   2.7061   2.8584   3.8882  -1.6945   3.7685  470.113  183.221  346.909  157.911 123.2038 241.8798 
1 1 1  -37    6   25 o  501.593  162.698   4.3008   2.9211   0.0248   4.4618   7.5086   3.8645  412.505  180.743  643.180  183.097 -230.6758 257.2790 
1 1 1  -37    6   27 o  739.214  142.118   9.5157   3.1701   7.8212   5.0929   10.588   4.0504  643.902  215.111  763.531  173.372 -119.6293 276.2802 
1 1 1  -37    6   29 o  284.573  130.865  -1.5204   2.6770   0.3594   4.3232  -2.6894   3.4092  406.981  178.128  303.385  142.255 103.5961 227.9609 
1 1 1  -37    6   31 o  970.082  115.330   15.976   3.4346   21.783   5.4661   12.188   4.4150  1094.19  164.641  802.262  180.158 291.9262 244.0569 
1 1 1  -37    6   33 o  300.221  138.146  -1.4314   2.9894  -0.3599   4.0272  -2.7464   4.4615  370.827  166.543  345.949  162.379 24.87790 232.6017 
1 1 1  -37    6   35 o  719.344  148.943   9.6261   3.2444   5.6966   4.6860   13.244   4.4965  535.718  203.087  818.238  180.357 -282.5199 271.6118 
1 1 1  -37    6   37 o  941.312  123.792   15.819   3.5602   16.761   5.1183   14.937   4.9555  902.659  187.227  845.075  191.679 57.58441 267.9458 
1 1 1  -37    6   39 o  712.346  158.646   10.123   3.4479   13.187   5.0888   7.5221   4.6878  752.665  208.666  565.442  205.185 187.2235 292.6468 
1 1 1  -37    6   41 o  1581.96  100.217   43.795   4.9386   46.992   7.2888   41.081   6.7148  1535.56  153.654  1440.45  151.126 95.09924 215.5194 
1 1 1  -37    6   43 o  1438.13  106.030   37.378   4.7410   34.089   7.0111   40.148   6.4354  1211.60  191.141  1405.32  148.494 -193.7168 242.0444 
1 1 1  -37    6   45 o  1487.18  104.419   40.747   4.8317   47.856   7.2396   35.037   6.4880  1475.86  159.178  1234.11  172.621 241.7490 234.8097 
1 1 1  -37    6   47 o  1343.13  109.949   34.874   4.5836   39.119   6.5681   30.845   6.3995  1274.91  168.671  1063.50  199.501 211.4058 261.2475 
1 1 1  -37    7    2 o  560.483  165.218   5.3974   3.0968   1.6523   4.5185   8.7145   4.2526  461.431  191.158  700.796  189.322 -239.3649 269.0430 
1 1 1  -37    7    4 o  626.580  170.328   6.8202   3.4295   8.2337   6.4427   6.2613   4.0511  690.095  241.607  603.691  191.161 86.40436 308.0856 
1 1 1  -37    7    6 o  669.159  143.822   7.6131   2.9238   7.4896   4.2081   7.7283   4.0653  654.304  192.516  664.244  187.342 -9.939636 268.6257 
1 1 1  -37    7    8 o  535.794  177.542   4.7088   3.4715   7.5526   6.3010   3.4693   4.1598  671.817  238.594  505.447  191.410 166.3695 305.8843 
1 1 1  -37    7   10 o  469.337  182.910   2.6264   3.8749  -2.5960   6.9333   4.9987   4.6729  471.745  214.525  568.240  205.063 -96.49524 296.7684 
1 1 1  -37    7   12 o  489.409  172.939   3.6573   3.3064   5.6708   7.1539   3.1104   3.7285  635.931  248.337  480.643  181.408 155.2880 307.5391 
1 1 1  -37    7   14 o  796.529  152.216   10.787   3.6581   6.1712   6.8702   12.614   4.3216  641.747  245.274  856.674  167.107 -214.9267 296.7894 
1 1 1  -37    7   16 o  392.745  162.669   1.0051   3.2711  -0.4759   7.1026   1.4038   3.6852  508.574  225.224  422.990  173.666 85.58429 284.4040 
1 1 1  -37    7   18 f  1646.43   93.859   43.577   4.8187   41.385   6.9069   45.655   6.7261  1578.71  141.213  1665.80  129.980 -87.08875 191.9268 
1 1 1  -37    7   20 o  585.667  158.568   5.9588   2.9793   8.3450   4.3842   3.9113   4.0612  682.268  195.297  512.844  190.169 169.4237 272.5895 
1 1 1  -37    7   22 o  1049.01  109.566   18.056   3.5458   20.144   5.3090   16.374   4.7642  1081.30  161.773  972.942  162.083 108.3579 229.0013 
1 1 1  -37    7   24 o  262.206  122.806  -2.2447   2.5284  -2.3832   3.9763  -2.1507   3.2759  343.022  158.372  310.221  143.411 32.80112 213.6555 
1 1 1  -37    7   26 o  427.608  157.418   2.7295   2.7735   5.9829   4.3701   0.5354   3.5889  579.737  199.211  386.082  165.633 193.6544 259.0741 
1 1 1  -37    7   28 o  1003.04  110.519   16.783   3.4135   15.702   5.0528   17.691   4.6299  924.981  180.935  1004.21  151.994 -79.22559 236.3041 
1 1 1  -37    7   30 o  927.003  118.926   14.610   3.3724   11.593   5.1038   16.948   4.4931  764.743  207.745  976.652  151.855 -211.9093 257.3282 
1 1 1  -37    7   32 o  941.440  115.465   15.126   3.3324   17.203   5.1960   13.675   4.3433  952.286  180.870  857.271  167.809 95.01428 246.7260 
1 1 1  -37    7   34 o  813.052  136.099   11.832   3.3424   13.765   4.8376   10.066   4.6235  831.133  190.022  697.164  200.848 133.9697 276.4924 
1 1 1  -37    7   36 o  318.437  142.135  -0.2153   2.8856  -1.6961   4.1416   1.1815   4.0225  343.020  159.499  396.479  172.721 -53.45831 235.1011 
1 1 1  -37    7   38 o  851.446  133.085   13.313   3.4320   9.9820   5.2520   15.796   4.5340  645.293  218.430  891.140  168.663 -245.8466 275.9695 
1 1 1  -37    7   40 o  733.025  170.855   11.221   3.8491   13.041   7.4203   10.551   4.5023  647.532  252.904  672.740  199.452 -25.20789 322.0893 
1 1 1  -37    7   42 o  844.620  142.729   14.058   3.6402   7.5654   5.3614   19.610   4.9584  528.542  212.213  958.616  171.482 -430.0737 272.8380 
1 1 1  -37    7   44 o  363.309  158.710   1.9025   3.4175   6.8013   4.9793  -2.4601   4.6989  490.239  201.641  321.050  154.995 169.1888 254.3276 
1 1 1  -37    7   46 o  854.894  147.731   15.772   3.8116   17.506   5.4778   14.144   5.3070  760.194  218.503  658.654  219.576 101.5396 309.7698 
1 1 1  -37    8    1 o  423.110  157.669   2.4534   2.7984  -1.9265   4.6650   4.9156   3.4977  388.115  176.291  541.373  178.153 -153.2573 250.6331 
1 1 1  -37    8    3 o  634.423  156.691   6.9575   3.0943   2.4988   5.0040   9.7180   3.9374  500.080  203.499  745.927  172.081 -245.8468 266.5027 
1 1 1  -37    8    5 o  329.590  147.472  -1.0330   3.1266   1.6397   7.7752  -1.5486   3.4149  564.735  243.070  334.176  151.413 230.5591 286.3719 
1 1 1  -37    8    7 f  604.244  176.156   6.3104   3.5378  -0.7103   7.3363   8.4377   4.0383  513.169  227.998  693.356  183.241 -180.1870 292.5070 
1 1 1  -37    8    9 o  694.711  173.232   8.4010   3.7554   4.7684   7.5967   9.5758   4.3202  623.562  251.815  737.769  186.821 -114.2067 313.5486 
1 1 1  -37    8   11 o  644.816  192.988   7.2528   4.2004   7.4194   7.2490   7.1687   5.1539  679.185  253.630  646.840  216.393 32.34521 333.3985 
1 1 1  -37    8   13 o  793.305  151.766   10.706   3.6326   7.9118   6.7627   11.840   4.3066  685.180  246.770  826.932  171.928 -141.7524 300.7569 
1 1 1  -37    8   15 o  684.839  149.098   8.0244   3.1066   8.6127   4.5381   7.5056   4.2616  696.336  198.479  653.442  194.120 42.89355 277.6263 
1 1 1  -37    8   17 o  546.214  156.783   5.1157   2.8220   7.5964   4.4145   3.4016   3.6697  655.475  198.223  486.804  180.721 168.6714 268.2388 
1 1 1  -37    8   19 o  540.829  159.379   5.0270   2.8821   7.4432   4.4290   3.2523   3.7958  647.316  199.108  483.601  182.914 163.7144 270.3728 
1 1 1  -37    8   21 o  498.422  164.401   4.1383   2.9779   4.0975   4.5524   4.1689   3.9370  528.273  200.194  517.145  187.980 11.12805 274.6163 
1 1 1  -37    8   23 o  1086.51  106.610   19.363   3.5803   17.286   5.3771   21.018   4.7987  985.896  180.844  1114.46  140.645 -128.5625 229.0969 
1 1 1  -37    8   25 f  339.093  143.429   0.4946   2.6253  -0.5643   4.0963   1.2328   3.4200  383.292  170.328  399.275  165.930 -15.98233 237.7910 
1 1 1  -37    8   27 o  405.261  153.422   2.3005   2.6720   4.5716   4.0265   0.5133   3.5717  522.598  190.081  383.094  164.818 139.5036 251.5863 
1 1 1  -37    8   29 o  330.587  145.125  -0.1447   2.8887   3.7506   4.3448  -3.2307   3.8672  496.361  193.615  317.739  149.771 178.6220 244.7824 
1 1 1  -37    8   31 o  1216.34   99.086   24.540   3.7410   23.944   5.6302   25.011   5.0059  1151.86  160.459  1199.68  135.643 -47.82520 210.1097 
1 1 1  -37    8   33 o  379.861  155.268   1.6142   2.9295   0.4458   4.2481   2.6736   4.0452  396.705  175.005  446.246  182.435 -49.54086 252.8032 
1 1 1  -37    8   35 o  522.337  166.852   5.2503   3.0811   3.4704   4.8705   6.4379   3.9784  477.062  198.117  564.242  190.114 -87.17996 274.5789 
1 1 1  -37    8   37 o  631.719  163.928   7.8871   3.2706   9.3349   4.9081   6.7308   4.3865  642.571  211.018  560.192  199.060 82.37927 290.0921 
1 1 1  -37    8   39 o  411.646  170.324   2.5982   3.5809  -4.1895   6.9061   5.0942   4.1879  385.811  186.669  494.198  190.831 -108.3870 266.9490 
1 1 1  -37    8   41 o  1005.93  120.317   18.506   3.7146   23.511   5.6465   14.688   4.9320  1054.26  177.343  799.000  198.113 255.2612 265.8933 
1 1 1  -37    8   43 o  392.152  164.915   2.6978   3.4386   7.3584   5.0569  -1.3102   4.6896  518.245  206.788  341.926  162.286 176.3193 262.8643 
1 1 1  -37    8   45 o  1125.44  153.510   27.067   5.2686   29.219   6.3087   22.107   9.5785  1096.50  190.667  633.390  271.131 463.1107 331.4603 
1 1 1  -37    9    2 o  617.474  163.167   6.6334   3.2022   10.999   4.9342   3.4567   4.2091  781.600  200.601  502.954  192.041 278.6461 277.7056 
1 1 1  -37    9    4 o  370.682  152.693   0.9484   2.8606   5.8125   4.3656  -2.7113   3.7868  588.378  199.148  331.196  153.488 257.1818 251.4328 
1 1 1  -37    9    6 o  387.898  162.030   0.8270   3.2850  -8.6930   7.0307   3.4857   3.7155  398.384  191.656  492.077  182.009 -93.69302 264.3095 
1 1 1  -37    9    8 o  602.178  172.242   6.2739   3.4115  -0.2361   7.3403   8.0675   3.8529  520.426  229.791  678.724  178.798 -158.2979 291.1572 
1 1 1  -37    9   10 o  300.582  137.586  -1.7381   2.9123  -1.4335   6.6338  -1.8108   3.2414  477.505  214.150  318.824  145.639 158.6819 258.9805 
1 1 1  -37    9   12 o  503.474  190.968   3.4642   4.1448   6.0346   7.1236   2.1487   5.0963  641.068  248.510  495.435  203.912 145.6322 321.4613 
1 1 1  -37    9   14 o  1042.61  109.001   17.713   3.5059   17.483   5.1966   17.906   4.7497  1008.49  170.647  1030.15  151.797 -21.65924 228.3922 
1 1 1  -37    9   16 o  361.691  150.006   0.7968   2.7869   3.7795   4.2384  -1.4751   3.6990  514.652  193.593  350.432  158.291 164.2200 250.0686 
1 1 1  -37    9   18 o  481.113  170.692   3.5837   3.2241   3.5130   4.4168   3.6643   4.7172  509.333  196.171  521.885  202.250 -12.55249 281.7592 
1 1 1  -37    9   20 o  768.497  130.614   9.9552   3.0305   17.543   4.8745   5.1741   3.8692  1010.53  159.329  553.958  187.484 456.5739 246.0404 
1 1 1  -37    9   22 o  632.706  157.943   7.0335   3.1193   9.9956   4.7008   4.7031   4.1696  738.190  198.893  538.438  193.784 199.7520 277.6882 
1 1 1  -37    9   24 o  1424.41   94.797   32.943   4.2040   35.905   6.2248   30.458   5.7004  1459.20  137.870  1343.44  137.446 115.7571 194.6779 
1 1 1  -37    9   26 o  810.748  128.847   11.197   3.1615   7.7351   4.6632   14.142   4.3009  643.084  205.251  895.676  159.186 -252.5923 259.7461 
1 1 1  -37    9   28 o  909.053  126.814   14.085   3.5114   16.521   5.2151   12.065   4.7493  947.878  182.330  800.065  192.020 147.8138 264.7941 
1 1 1  -37    9   30 o  1271.55  101.367   26.781   4.0024   27.586   5.9823   26.129   5.3852  1245.36  156.893  1223.65  143.260 21.70898 212.4589 
1 1 1  -37    9   32 o  817.090  144.016   11.927   3.5500   13.016   5.4927   11.146   4.6523  795.342  215.288  750.672  195.860 44.67053 291.0499 
1 1 1  -37    9   34 o  477.801  165.134   4.1605   3.0050   0.2110   4.7702   6.7591   3.8693  407.067  182.145  583.376  187.044 -176.3091 261.0794 
1 1 1  -37    9   36 o  254.121  122.128  -3.2843   2.8366  -4.1632   4.1492  -2.5129   3.8868  307.142  147.633  319.738  150.543 -12.59589 210.8524 
1 1 1  -37    9   38 o  735.008  201.624   11.884   4.7800   19.388   6.8442   4.7377   6.6788  892.796  239.755  509.615  222.268 383.1812 326.9332 
1 1 1  -37    9   40 o  967.437  148.297   18.025   4.3491   18.940   5.3532   16.250   7.4589  940.541  188.338  735.504  259.766 205.0367 320.8579 
1 1 1  -37    9   42 o  416.027  175.275   3.0697   3.8956   1.2774   4.5846   7.7249   7.3886  388.083  175.676  520.359  230.114 -132.2752 289.5069 
1 1 1  -37    9   44 o  520.204  213.906   8.2225   5.6016   15.616   7.9835   1.0527   7.8615  614.446  254.282  414.554  200.222 199.8917 323.6479 
1 1 1  -37   10    1 f  231.303  112.916  -4.7320   2.6819   2.1204   4.2574  -9.2399   3.4531  463.486  188.042  228.286  114.278 235.2003 220.0439 
1 1 1  -37   10    3 o  745.933  147.005   9.4929   3.3115   11.143   5.1858   8.3565   4.3031  784.505  207.802  685.480  192.538 99.02460 283.2887 
1 1 1  -37   10    5 f  1132.58  121.799   21.075   4.2516   33.170   8.6078   17.172   4.8896  1370.18  207.092  1003.61  161.040 366.5654 262.3380 
1 1 1  -37   10    7 f  512.992  170.831   4.3042   3.2126   0.9578   7.4616   5.0657   3.5594  543.400  235.987  550.136  179.654 -6.735535 296.5894 
1 1 1  -37   10    9 o  468.893  170.344   3.2228   3.2323  -1.9050   7.2029   4.5158   3.6170  488.973  220.876  528.793  181.258 -39.81931 285.7280 
1 1 1  -37   10   11 o  751.226  158.434   9.7059   3.6095   13.389   7.6242   8.6420   4.0978  841.756  261.622  700.213  184.362 141.5435 320.0551 
1 1 1  -37   10   13 o  360.748  157.911  -0.3589   3.3984   3.1982   4.2086  -7.0241   5.7610  495.900  191.354  364.761  174.967 131.1389 259.2867 
1 1 1  -37   10   15 o  733.097  141.160   9.1221   3.1228   15.593   5.0030   4.9922   3.9969  947.682  175.047  552.218  190.472 395.4639 258.6909 
1 1 1  -37   10   17 o  307.759  136.304  -0.6188   2.6020  -1.5132   4.0474   0.0113   3.3970  366.647  165.599  369.150  159.770 -2.503845 230.1072 
1 1 1  -37   10   19 o  1383.07   99.872   30.994   4.2961   25.361   6.5260   35.301   5.7071  1207.21  177.981  1462.43  125.857 -255.2164 217.9847 
1 1 1  -37   10   21 o  306.992  137.558  -0.9018   2.7308  -1.0358   4.3840  -0.8168   3.4907  389.706  174.480  351.601  156.678 38.10468 234.5018 
1 1 1  -37   10   23 o  891.002  128.950   13.376   3.4930   12.654   5.3851   13.901   4.5895  823.099  208.659  886.023  171.626 -62.92413 270.1740 
1 1 1  -37   10   25 o  324.200  144.494  -0.6921   2.9704   0.3933   4.5467  -1.5004   3.9234  422.500  183.848  355.593  161.578 66.90692 244.7601 
1 1 1  -37   10   27 o  752.553  134.451   9.7732   3.0520   13.568   4.7768   7.1556   3.9674  859.396  183.115  621.552  187.903 237.8447 262.3716 
1 1 1  -37   10   29 o  609.008  159.103   6.7381   3.0674   5.9664   4.5865   7.3625   4.1258  571.750  203.508  623.543  192.235 -51.79272 279.9463 
1 1 1  -37   10   31 o  506.951  182.274   4.5216   3.6882   5.9787   4.7525   2.3152   5.8481  566.314  206.428  489.624  210.773 76.68991 295.0211 
1 1 1  -37   10   33 o  275.790  129.977  -2.4704   2.9103  -5.5013   4.3926  -0.0990   3.8854  306.465  148.428  371.998  165.568 -65.53302 222.3588 
1 1 1  -37   10   35 o  827.079  132.439   12.192   3.3141   16.558   4.9622   8.6764   4.4528  924.593  177.858  645.589  199.820 279.0035 267.5095 
1 1 1  -37   10   37 o  403.637  167.113   2.1141   3.4503  -5.8395   6.0896   5.8746   4.1872  357.858  173.663  535.068  193.958 -177.2108 260.3432 
1 1 1  -37   10   39 o  395.252  168.887   1.8175   3.7044   3.9358   4.5603  -2.2916   6.3515  466.670  192.578  395.606  188.085 71.06390 269.1885 
1 1 1  -37   10   41 o  1363.73  129.617   34.451   5.4684   38.336   6.8819   27.796   9.0068  1381.82  162.133  943.057  282.676 438.7679 325.8725 
1 1 1  -37   10   43 o  313.079  148.554  -1.8212   3.9244  -0.9488   4.6520  -3.9742   7.3082  348.472  164.261  374.471  183.564 -25.99893 246.3279 
1 1 1  -37   11    2 o  332.329  149.924  -1.3206   3.3062 -14.0362   7.3615   1.8924   3.7004  362.999  179.157  436.989  176.003 -73.99063 251.1464 
1 1 1  -37   11    4 o  417.774  165.567   1.8651   3.2215   2.4478   7.4325   1.7303   3.5748  568.300  240.908  427.555  172.712 140.7447 296.4221 
1 1 1  -37   11    6 o  681.089  172.560   8.1121   3.6845   5.8711   7.5123   8.8220   4.2279  642.338  253.380  705.921  187.939 -63.58301 315.4715 
1 1 1  -37   11    8 o  827.101  161.042   11.750   4.0208   1.4648   8.1821   15.024   4.6166  571.706  247.698  936.842  163.314 -365.1359 296.6913 
1 1 1  -37   11   10 f  462.239  159.268   3.3422   2.7943   4.6480   4.7746   2.6620   3.4461  556.239  206.210  454.301  173.693 101.9380 269.6141 
1 1 1  -37   11   12 o  449.783  163.082   2.9541   2.9605  -4.5886   4.8259   7.5056   3.7488  353.620  166.874  654.210  178.181 -300.5898 244.1219 
1 1 1  -37   11   14 o  459.809  177.414   2.6778   3.6176   1.3722   4.5484   4.9255   5.9680  455.051  190.420  588.063  227.602 -133.0125 296.7530 
1 1 1  -37   11   16 o  421.729  160.624   2.2937   2.9399  -2.9512   4.8715   5.2981   3.6870  379.705  175.305  559.174  182.859 -179.4689 253.3162 
1 1 1  -37   11   18 o  582.635  156.349   5.8959   2.9118   2.9898   4.4411   8.0872   3.8564  493.374  194.755  675.049  179.383 -181.6747 264.7786 
1 1 1  -37   11   20 o  488.764  163.245   3.9435   2.9330   2.2902   4.6253   5.0555   3.7933  477.691  195.160  547.657  185.633 -69.96594 269.3456 
1 1 1  -37   11   22 o  452.564  159.886   3.2067   2.8260   4.7732   4.2414   1.9561   3.7897  541.611  195.380  437.847  177.492 103.7642 263.9634 
1 1 1  -37   11   24 o  823.491  134.362   11.551   3.3451   10.641   5.0803   12.248   4.4445  752.397  208.456  825.735  177.201 -73.33844 273.5947 
1 1 1  -37   11   26 o  923.656  120.913   14.337   3.4131   11.655   5.2952   16.243   4.4641  780.379  211.443  965.623  152.723 -185.2442 260.8297 
1 1 1  -37   11   28 o  846.951  132.604   12.328   3.4013   15.616   5.2278   9.9137   4.4789  917.474  188.285  723.718  193.782 193.7552 270.1903 
1 1 1  -37   11   30 o  983.557  136.632   16.772   4.0943   16.053   5.3439   17.795   6.3709  920.996  191.546  945.513  219.420 -24.51678 291.2643 
1 1 1  -37   11   32 o  381.123  156.763   1.4733   3.0096  -0.4593   4.2945   3.3385   4.2190  383.260  172.064  474.544  189.028 -91.28384 255.6117 
1 1 1  -37   11   34 o  900.466  130.838   14.259   3.5811   12.113   5.1485   16.270   4.9844  764.214  209.092  921.573  179.182 -157.3591 275.3650 
1 1 1  -37   11   36 o  444.630  171.115   3.3050   3.3585   4.9788   6.2479   2.6249   3.9828  529.721  222.509  436.270  179.995 93.45120 286.1970 
1 1 1  -37   11   38 o  403.505  171.608   1.8540   3.7923   5.1170   4.7589  -3.8237   6.2775  508.506  201.324  382.318  183.190 126.1887 272.1950 
1 1 1  -37   11   40 o  644.958  190.169   9.1840   4.1023   7.3365   5.1278   12.468   6.8372  556.467  212.087  665.676  246.766 -109.2093 325.3838 
1 1 1  -37   11   42 o  427.209  185.617   2.9978   4.6207   3.7058   5.3994   1.0608   8.9312  450.678  198.115  451.847  217.034 -1.168427 293.8594 
1 1 1  -37   12    1 o  281.099  133.864  -3.8019   3.2439 -10.4580   7.6715  -2.3526   3.5797  403.380  195.563  326.089  150.454 77.29059 246.7412 
1 1 1  -37   12    3 o  552.979  174.615   5.1955   3.3820   13.867   6.9902   2.5456   3.8644  858.203  246.879  463.851  182.124 394.3521 306.7869 
1 1 1  -37   12    5 o  383.307  163.895   0.3234   3.4930  -0.0000   7.8116   0.4042   3.9051  536.873  237.054  404.661  173.167 132.2122 293.5667 
1 1 1  -37   12    7 o  251.380  121.423  -4.3319   2.8929   9.6969   7.2041  -7.0290   3.1588  735.811  255.606  233.351  115.565 502.4601 280.5168 
1 1 1  -37   12    9 o  426.007  161.844   2.3356   2.9800   3.4778   4.3724   1.3447   4.0724  509.680  195.462  436.832  181.262 72.84805 266.5734 
1 1 1  -37   12   11 o  542.130  169.490   4.9753   3.1946   5.0906   4.8537   4.8871   4.2433  571.721  208.581  553.531  195.882 18.19006 286.1396 
1 1 1  -37   12   13 o  1112.54  111.425   20.197   3.8294   27.214   5.8684   14.992   5.0538  1273.63  150.027  926.526  180.687 347.1073 234.8529 
1 1 1  -37   12   15 o  689.507  154.294   8.2031   3.2480   11.577   5.0386   5.8040   4.2486  801.854  201.048  585.495  196.470 216.3590 281.1059 
1 1 1  -37   12   17 o  357.397  151.492   0.4349   2.9387  -3.7383   4.8730   2.8200   3.6840  366.953  171.421  465.500  179.196 -98.54745 247.9843 
1 1 1  -37   12   19 o  436.210  167.350   2.4637   3.2059   2.5382   5.0810   2.4144   4.1322  499.492  204.363  466.010  186.587 33.48120 276.7288 
1 1 1  -37   12   21 o  994.125  122.608   16.430   3.7357   17.946   5.6668   15.264   4.9682  1003.70  187.195  929.766  177.117 73.93237 257.7061 
1 1 1  -37   12   23 o  1198.25  112.510   23.649   4.1719   18.486   6.3280   27.618   5.5486  1000.20  208.796  1278.45  140.948 -278.2465 251.9170 
1 1 1  -37   12   25 o  484.135  165.282   3.9045   3.0073   1.2385   4.5610   5.9551   4.0000  443.163  188.329  578.362  190.526 -135.1990 267.8958 
1 1 1  -37   12   27 f  386.767  155.667   1.5803   2.8925   2.0843   4.3873   1.1927   3.8471  455.694  188.536  413.045  174.108 42.64944 256.6310 
1 1 1  -37   12   29 o  744.493  169.533   10.131   3.8636   9.2320   5.2251   11.215   5.7389  685.275  217.112  747.052  226.029 -61.77692 313.4115 
1 1 1  -37   12   31 o  480.595  169.502   3.9715   3.1748   5.2775   5.2520   3.2194   3.9854  552.127  213.562  469.253  184.728 82.87497 282.3707 
1 1 1  -37   12   33 o  357.908  154.304   0.5437   3.1439  -7.6461   5.2281   5.1828   3.9348  319.743  156.423  529.818  188.505 -210.0751 244.9540 
1 1 1  -37   12   35 o  899.772  168.496   15.281   4.5728   9.3677   5.8010   24.985   7.4315  652.848  229.221  1087.24  225.678 -434.3903 321.6720 
1 1 1  -37   12   37 o  649.651  196.643   8.8970   4.3430   11.269   5.5605   5.1859   6.9547  703.232  224.096  536.334  230.346 166.8973 321.3691 
1 1 1  -37   12   39 o  482.557  187.032   4.5166   4.0344   2.4892   5.0292   8.1765   6.7572  443.652  193.204  579.120  236.162 -135.4674 305.1232 
1 1 1  -37   12   41 o  912.833  146.174   16.013   4.0371   18.311   5.4361   13.187   6.0285  911.987  196.184  703.430  234.004 208.5562 305.3618 
1 1 1  -37   13    2 o  669.269  179.017   7.8780   3.8247  -5.7651   8.7109   11.136   4.2570  486.478  227.877  798.058  175.160 -311.5798 287.4178 
1 1 1  -37   13    4 o  406.952  170.575   0.9015   3.6590   2.8517   7.9661   0.3800   4.1192  590.421  249.796  413.620  177.449 176.8009 306.4086 
1 1 1  -37   13    6 o  631.295  164.894   6.9140   3.2951   9.3254   5.0195   5.0879   4.3681  721.174  209.710  563.254  198.804 157.9199 288.9662 
1 1 1  -37   13    8 o  771.118  171.768   10.345   4.0411   14.264   7.4882   8.7344   4.8001  868.990  257.130  700.146  205.502 168.8445 329.1605 
1 1 1  -37   13   10 o  556.687  170.458   5.2825   3.2503   6.6943   4.8124   4.0983   4.4075  625.540  209.103  530.614  197.844 94.92664 287.8646 
1 1 1  -37   13   12 o  826.244  138.288   11.475   3.4513   5.7002   4.9591   16.899   4.8063  593.235  211.563  996.522  159.403 -403.2872 264.8932 
1 1 1  -37   13   14 o  1204.37  110.110   23.621   4.1065   26.831   6.4587   21.442   5.3204  1253.54  168.842  1126.21  154.976 127.3297 229.1839 
1 1 1  -37   13   16 o  677.501  161.250   7.9814   3.3714   5.7385   5.0493   9.7857   4.5287  593.617  213.290  739.488  193.387 -145.8715 287.9078 
1 1 1  -37   13   18 o  692.793  153.888   8.3044   3.2515   7.2372   5.1877   8.9950   4.1728  642.460  217.092  710.089  185.600 -67.62848 285.6155 
1 1 1  -37   13   20 o  280.300  130.267  -2.1472   2.7569  -5.0350   4.5232  -0.4403   3.4775  330.626  157.621  360.546  158.731 -29.92026 223.6959 
1 1 1  -37   13   22 o  680.498  161.258   8.1491   3.3835   5.9151   5.1128   9.8897   4.5131  593.142  214.429  736.929  193.216 -143.7864 288.6381 
1 1 1  -37   13   24 o  538.757  175.314   5.0293   3.3906   5.8606   5.2984   4.4529   4.4124  590.265  217.535  531.994  198.033 58.27118 294.1744 
1 1 1  -37   13   26 o  576.637  164.074   5.9324   3.1040   2.7167   4.9453   8.0227   3.9872  491.176  201.363  661.145  185.207 -169.9688 273.5848 
1 1 1  -37   13   28 o  893.424  151.471   13.991   4.0861   14.340   5.4186   13.531   6.2215  869.850  202.695  822.682  231.665 47.16864 307.8214 
1 1 1  -37   13   30 o  554.366  169.977   5.5993   3.2307   19.724   5.3306  -2.6014   4.0617  1045.99  168.474  337.876  157.389 708.1172 230.5531 
1 1 1  -37   13   32 o  598.218  170.517   6.6865   3.3495   11.535   5.2078   3.2659   4.3742  757.521  211.475  478.435  191.828 279.0855 285.5165 
1 1 1  -37   13   34 o  345.900  159.169  -1.5926   3.9689   1.2365   4.9911  -6.4585   6.5457  439.127  191.817  378.458  182.766 60.66870 264.9474 
1 1 1  -37   13   36 o  789.312  188.467   12.444   4.5937   7.5169   5.8325   20.493   7.4553  594.965  226.327  943.804  248.756 -348.8390 336.3084 
1 1 1  -37   13   38 o  669.643  175.036   9.0032   3.7112   13.186   5.4110   5.2876   5.0997  769.425  215.833  519.594  207.551 249.8315 299.4350 
1 1 1  -37   14    1 f  377.422  166.433  -0.5844   3.8384   0.8146   8.6144  -0.9310   4.2876  571.522  250.762  391.191  174.029 180.3304 305.2336 
1 1 1  -37   14    3 o  455.225  178.006   2.4514   3.6793   5.1133   8.6843   1.8690   4.0619  649.418  266.608  451.187  183.444 198.2310 323.6225 
1 1 1  -37   14    5 o  419.191  164.806   1.9456   3.1683  -2.0344   4.6740   5.3289   4.3095  388.237  176.390  571.281  197.736 -183.0443 264.9778 
1 1 1  -37   14    7 o  406.674  162.579   1.6246   3.1319   3.4227   4.5799   0.0451   4.2925  514.573  199.320  413.891  179.366 100.6815 268.1432 
1 1 1  -37   14    9 o  481.716  176.797   3.3582   3.4946   1.5742   7.2138   3.9053   3.9946  548.456  235.048  514.549  188.996 33.90753 301.6072 
1 1 1  -37   14   11 o  703.518  156.619   8.5147   3.3614   9.3124   5.1840   7.9359   4.4155  720.518  214.112  670.509  197.180 50.00897 291.0738 
1 1 1  -37   14   13 o  1093.82  115.801   19.574   3.9059   22.750   5.6867   16.739   5.3741  1158.26  161.163  980.686  181.700 177.5725 242.8753 
1 1 1  -37   14   15 o  609.291  180.581   6.4682   3.6911   4.7085   4.7098   9.2694   5.9423  555.780  205.051  716.345  232.020 -160.5649 309.6439 
1 1 1  -37   14   17 o  766.487  146.928   10.024   3.3980   14.940   5.2560   6.4937   4.4540  918.863  188.986  612.522  201.013 306.3415 275.9022 
1 1 1  -37   14   19 o  348.447  151.970  -0.2130   3.1220   3.5091   4.6665  -3.2288   4.2005  515.089  200.730  342.410  159.686 172.6785 256.4994 
1 1 1  -37   14   21 o  383.762  156.587   1.2464   2.9729   3.6217   4.5927  -0.4667   3.9003  514.602  199.524  380.395  167.756 134.2068 260.6754 
1 1 1  -37   14   23 o  320.743  145.656  -1.4235   3.1822  -5.5793   5.4195   0.7632   3.9313  362.977  172.902  410.297  174.615 -47.31927 245.7346 
1 1 1  -37   14   25 o  461.494  169.019   3.2410   3.1915   5.1909   4.9353   1.8397   4.1840  563.845  209.529  446.615  184.395 117.2300 279.1124 
1 1 1  -37   14   27 o  441.843  176.662   2.3202   3.6986   4.1557   5.1149   0.3088   5.3545  532.842  209.429  449.112  197.361 83.72974 287.7706 
1 1 1  -37   14   29 o  294.235  138.543  -2.9162   3.2927  -3.5641   5.1398  -2.4652   4.2882  372.252  174.585  352.527  163.359 19.72443 239.0942 
1 1 1  -37   14   31 o  634.910  194.790   7.6988   4.2421   4.7458   5.2499   13.254   7.2005  541.076  212.331  783.551  255.505 -242.4752 332.2161 
1 1 1  -37   14   33 o  493.985  189.795   3.9851   4.1273   2.8569   5.1243   6.0686   6.9636  483.680  202.234  586.490  239.519 -102.8100 313.4770 
1 1 1  -37   14   35 o  470.933  187.791   3.4161   4.1681   0.7141   5.1447   8.5774   7.1105  431.365  191.325  630.902  247.248 -199.5377 312.6292 
1 1 1  -37   14   37 o  526.711  176.782   5.3952   3.4398   6.2773   4.9819   4.5916   4.7553  555.945  209.728  505.567  200.903 50.37814 290.4270 
1 1 1  -37   15    2 o  681.824  176.562   8.1312   3.7994   8.0410   5.0254   8.2516   5.8047  675.220  212.814  685.979  229.650 -10.75891 313.0959 
1 1 1  -37   15    4 o  375.948  156.920   0.7510   3.0777   3.1921   4.7390  -1.0296   4.0474  512.749  201.570  378.690  168.732 134.0594 262.8705 
1 1 1  -37   15    6 o  393.094  159.242   1.3232   3.0482   0.7270   4.5964   1.7913   4.0726  443.187  188.715  450.356  183.462 -7.169342 263.1952 
1 1 1  -37   15    8 o  517.006  173.503   4.3348   3.3134   5.9784   4.7883   2.8247   4.5897  602.085  208.430  497.990  197.538 104.0949 287.1664 
1 1 1  -37   15   10 f  294.593  140.339  -4.2212   3.5719 -11.9166   7.1814  -1.6917   4.1173  375.077  183.459  368.540  166.686 6.536469 247.8739 
1 1 1  -37   15   12 o  810.111  146.530   11.106   3.5801   10.500   5.2330   11.638   4.9087  763.912  211.535  809.623  195.777 -45.71112 288.2286 
1 1 1  -37   15   14 o  1109.06  115.023   20.101   3.9363   16.943   5.7409   22.902   5.4077  980.773  193.808  1167.59  151.482 -186.8181 245.9847 
1 1 1  -37   15   16 o  696.215  185.119   8.5724   4.1054   5.3941   4.8692   16.386   7.6349  581.044  209.379  928.234  254.895 -347.1898 329.8651 
1 1 1  -37   15   18 o  469.095  169.771   3.2848   3.2062   4.1830   4.9003   2.6124   4.2397  542.549  207.198  477.442  189.708 65.10782 280.9272 
1 1 1  -37   15   20 o  497.137  174.961   3.9118   3.3808   12.161   5.5187  -1.0440   4.2775  813.156  213.880  386.534  172.754 426.6218 274.9333 
1 1 1  -37   15   22 o  498.210  178.294   3.8979   3.5250   2.7440   5.3139   4.8047   4.7106  510.297  208.912  553.624  204.907 -43.32715 292.6277 
1 1 1  -37   15   24 o  419.253  166.083   2.0058   3.2404   0.4799   5.0917   3.0445   4.2009  448.662  194.893  484.169  189.956 -35.50732 272.1518 
1 1 1  -37   15   26 o  376.007  158.826   0.7272   3.2121   7.5604   4.7715  -4.9361   4.3439  641.761  207.914  320.737  153.337 321.0241 258.3417 
1 1 1  -37   15   28 o  387.207  171.583  -0.3950   4.1286  -3.4881   5.1003   5.4846   7.0318  373.841  174.877  599.120  242.157 -225.2789 298.7003 
1 1 1  -37   15   30 o  403.238  177.985  -0.0455   4.3999  -6.2008   5.6714   9.2597   6.9732  359.521  172.757  682.577  249.859 -323.0562 303.7673 
1 1 1  -37   15   32 o  381.293  170.098  -0.4064   4.1266   1.1942   5.0858  -3.4911   7.0601  449.631  195.046  436.001  204.525 13.62936 282.6194 
1 1 1  -37   15   34 o  726.169  175.565   9.9888   3.9480   3.6081   6.7933   13.243   4.8514  531.174  227.880  826.589  191.238 -295.4158 297.4920 
1 1 1  -37   15   36 o  310.588  143.011  -1.4731   3.2109   1.8672   4.6753  -4.4552   4.4174  440.518  189.020  319.307  153.176 121.2115 243.2925 
1 1 1  -37   16    1 o  690.976  175.682   8.3335   3.8095   9.8904   5.8738   7.2032   5.0049  740.775  229.534  646.436  213.126 94.33942 313.2234 
1 1 1  -37   16    3 o  737.033  179.777   9.4940   4.1119   11.702   6.9396   8.2992   5.1045  798.210  249.848  686.382  214.189 111.8276 329.0911 
1 1 1  -37   16    5 o  374.935  160.303   0.2449   3.3410   2.4727   4.6990  -2.0327   4.7513  492.410  198.331  392.859  178.241 99.55109 266.6553 
1 1 1  -37   16    7 o  766.717  165.436   10.119   3.8552   6.4590   5.5300   13.579   5.3773  629.415  223.523  875.856  200.409 -246.4419 300.2103 
1 1 1  -37   16    9 o  537.607  183.380   4.6581   3.7020   5.9721   5.5003   3.5699   5.0054  613.880  222.333  532.310  207.766 81.57025 304.3007 
1 1 1  -37   16   11 o  341.588  158.535  -3.0060   4.0615  -5.8719   8.7521  -2.2194   4.5851  490.335  229.280  381.591  173.885 108.7441 287.7590 
1 1 1  -37   16   13 o  764.958  163.616   10.078   3.8004   11.904   5.6523   8.5718   5.1342  811.332  217.882  695.448  214.451 115.8846 305.7156 
1 1 1  -37   16   15 o  279.260  132.191  -3.3232   3.0716   2.6443   4.5793  -8.2043   4.1415  491.693  196.581  275.695  135.745 215.9976 238.8949 
1 1 1  -37   16   17 o  687.970  199.706   8.4216   4.5556   9.5259   5.5473   6.1342   7.9839  725.802  222.761  656.216  260.461 69.58661 342.7283 
1 1 1  -37   16   19 f  554.588  191.201   5.0573   4.0274   7.0430   7.1300   4.1270   4.8805  661.156  250.543  540.721  206.713 120.4349 324.8106 
1 1 1  -37   16   21 o  348.419  152.553  -0.3221   3.1735   1.2928   4.8169  -1.5606   4.2184  461.014  194.601  373.475  168.838 87.53903 257.6348 
1 1 1  -37   16   23 o  401.852  166.729   1.1560   3.4449  -2.6982   5.6534   3.4324   4.3448  414.581  190.475  502.309  194.258 -87.72720 272.0599 
1 1 1  -37   16   25 o  941.249  178.687   15.728   5.0738   14.720   6.3620   17.490   8.4101  878.422  228.963  926.788  272.009 -48.36560 355.5466 
1 1 1  -37   16   27 o  494.269  193.533   3.3334   4.3537  -2.0504   5.2820   14.740   7.6886  405.874  185.602  849.599  262.504 -443.7255 321.4910 
1 1 1  -37   16   29 o  476.402  189.218   2.9700   4.2162   3.1981   5.0448   2.4415   7.6784  504.357  204.669  550.711  239.277 -46.35416 314.8700 
1 1 1  -37   16   31 o  507.985  178.763   4.4276   3.5293   5.9255   5.4667   3.3570   4.6215  581.037  219.574  493.678  197.445 87.35855 295.2922 
1 1 1  -37   16   33 o  698.531  194.628   9.4504   4.4156   1.6581   7.7445   13.204   5.3748  523.236  233.251  816.709  209.235 -293.4739 313.3447 
1 1 1  -37   17    2 o  239.447  117.393  -5.6814   2.9925  -2.2662   5.1507  -7.4216   3.6767  406.825  184.963  259.447  127.775 147.3773 224.8062 
1 1 1  -37   17    4 o  405.378  172.397   0.4922   3.8271   7.4551   6.3959  -3.3910   4.7765  671.646  240.187  371.267  172.173 300.3790 295.5218 
1 1 1  -37   17    6 o  571.325  190.654   5.3809   4.0007   4.6402   7.0780   5.7286   4.8496  612.341  244.546  596.711  209.580 15.63019 322.0663 
1 1 1  -37   17    8 o  428.658  175.966   1.3965   3.7828  -0.5864   5.8743   2.8012   4.9444  467.120  205.946  510.257  204.173 -43.13687 290.0007 
1 1 1  -37   17   10 o  723.206  188.087   9.1662   4.2994   12.449   7.1918   7.3403   5.3633  823.096  253.810  656.725  220.741 166.3707 336.3724 
1 1 1  -37   17   12 o  496.986  189.960   3.2307   4.1211  -0.5993   6.9566   5.3015   5.1153  504.588  223.205  586.945  214.129 -82.35693 309.3087 
1 1 1  -37   17   14 o  718.064  192.717   9.0927   4.4236   9.0915   7.3178   9.0934   5.5531  724.698  257.152  715.095  223.445 9.602661 340.6682 
1 1 1  -37   17   16 o  408.128  175.032   0.3272   4.0053   1.8382   6.9226  -0.4332   4.9107  545.675  231.958  430.118  189.010 115.5573 299.2145 
1 1 1  -37   17   18 o  640.787  216.055   7.0597   5.1382  -4.0266   6.5775   24.417   8.2301  435.731  202.058  1154.06  235.719 -718.3287 310.4691 
1 1 1  -37   17   20 o  288.685  138.282  -4.5530   3.5706  -6.5767   6.8791  -3.8067   4.1775  413.929  196.487  332.850  156.517 81.07895 251.2065 
1 1 1  -37   17   22 o  642.963  200.951   7.3402   4.4911   3.3341   5.3087   17.424   8.4226  527.765  211.426  940.059  271.159 -412.2947 343.8436 
1 1 1  -37   17   24 o  342.387  159.130  -2.9193   4.1148  -5.5689   4.9196   3.2506   7.5073  342.119  163.454  577.506  243.313 -235.3872 293.1182 
1 1 1  -37   17   26 o  619.505  204.198   6.8646   4.5944   8.7155   5.5907   3.0142   8.0634  685.320  225.222  580.618  248.659 104.7019 335.4939 
1 1 1  -37   17   28 o  307.803  143.061  -2.3850   3.3261  -3.8775   5.2120  -1.3596   4.3202  374.591  175.722  377.443  170.726 -2.851868 245.0012 
1 1 1  -37   17   30 o  635.821  182.967   7.4435   3.8389   7.0597   5.6488   7.7729   5.2330  621.440  225.278  642.489  218.032 -21.04889 313.5093 
1 1 1  -37   18    1 o  283.147  130.623  -1.9276   2.6968  -4.6346   3.6158   1.4657   4.0484  291.410  139.473  441.357  181.709 -149.9463 229.0653 
1 1 1  -37   18    3 o  331.043  148.234  -1.1154   3.1654   1.5755   5.4572  -2.4798   3.8859  497.055  208.328  342.556  157.580 154.4998 261.2126 
1 1 1  -37   18    5 o  391.959  159.196   1.2429   3.0549 -10.3418   5.1179   7.6557   3.8077  304.025  149.927  664.632  178.976 -360.6066 233.4753 
1 1 1  -37   18    7 o  672.476  183.027   7.8522   3.9571   3.8598   6.9476   9.7694   4.8143  593.308  240.389  744.511  201.568 -151.2031 313.7136 
1 1 1  -37   18    9 o  321.561  151.707  -4.0247   3.9839  -2.7019   6.3077  -4.9026   5.1386  448.643  204.250  366.330  172.666 82.31311 267.4538 
1 1 1  -37   18   11 o  396.365  171.480  -0.0365   3.9100  -1.2136   5.9686   0.8485   5.1752  459.866  204.902  470.553  200.303 -10.68710 286.5417 
1 1 1  -37   18   13 o  804.038  174.155   11.170   4.2577   8.5869   6.8821   12.771   5.4194  709.590  249.637  848.010  206.109 -138.4196 323.7274 
1 1 1  -37   18   15 f  787.843  178.391   10.795   4.2985   13.950   7.5608   9.2887   5.2250  865.079  258.923  722.813  214.995 142.2661 336.5467 
1 1 1  -37   18   17 o  239.902  119.089  -7.9399   3.4298  -3.4476   6.4894  -9.6812   4.0401  442.042  203.454  256.512  127.650 185.5299 240.1835 
1 1 1  -37   18   19 o  550.391  215.627   3.9255   5.4067   7.2896   6.5206  -3.4769   9.6725  663.596  241.811  543.014  249.357 120.5820 347.3491 
1 1 1  -37   18   21 o  822.022  212.472   12.292   5.5087   14.105   7.0867   9.5245   8.7565  863.732  248.608  739.590  278.252 124.1422 373.1357 
1 1 1  -37   18   23 o  633.090  226.573   6.7922   5.6925   14.595   7.6232  -3.0427   8.5585  867.892  260.039  510.883  234.587 357.0090 350.2162 
1 1 1  -37   18   25 o  814.044  202.413   12.115   5.1376   26.293   8.2991   3.3050   6.5418  1187.03  231.597  555.574  230.070 631.4604 326.4498 
1 1 1  -37   19    8 o  364.978  158.040  -0.1442   3.3271  -1.2365   5.0743   0.6796   4.4064  424.067  188.941  436.931  185.371 -12.86456 264.6909 
1 1 1  -37   19   10 o  327.355  152.027  -2.9132   3.7440   2.0085   5.4650  -7.2664   5.1397  508.748  210.449  336.820  162.483 171.9288 265.8753 
1 1 1  -37   19   12 o  484.929  181.440   3.1957   3.7133   4.1983   5.1067   2.0709   5.4091  555.605  211.675  507.936  209.681 47.66846 297.9473 
1 1 1  -37   19   14 o  393.940  169.722   0.0808   3.7982  -3.9656   5.3000   4.3531   5.4459  387.075  180.132  567.662  218.037 -180.5869 282.8212 
1 1 1  -37   19   16 o  561.753  211.613   4.4978   5.0677   2.7394   5.8049   10.132   10.391  534.777  218.575  781.580  300.927 -246.8034 371.9300 
1 1 1  -37   19   18 o  522.838  203.770   3.4438   4.8094   5.7647   5.3173  -6.9929   11.276  603.948  218.623  551.466  258.620 52.48157 338.6451 
1 1 1  -37   19   20 o  936.746  186.324   15.351   5.2729   11.665   6.0189   27.516   10.934  798.301  228.922  1180.61  296.260 -382.3087 374.4002 
1 1 1  -36    0    2 o  579.483  230.296   7.5229   4.0345   7.5229   4.0345   7.5229   4.0345  579.483  230.296  579.483  230.296 -0.000000 0.000000 
1 1 1  -36    0    4 o  324.517  195.596   1.7942   3.6174   1.7942   3.6174   1.7942   3.6174  324.517  195.596  324.517  195.596 -0.000000 0.000000 
1 1 1  -36    0    6 o  1624.05  129.704   42.725   6.4991   42.725   6.4991   42.725   6.4991  1624.05  129.704  1624.05  129.704 -0.000000 0.000000 
1 1 1  -36    0    8 o  348.266  207.791   2.2261   3.9996   2.2261   3.9996   2.2261   3.9996  348.266  207.791  348.266  207.791 -0.000000 0.000000 
1 1 1  -36    0   10 o  541.369  230.849   6.7549   3.9849   6.7549   3.9849   6.7549   3.9849  541.369  230.849  541.369  230.849 -0.000000 0.000000 
1 1 1  -36    0   12 o  626.708  218.601   8.2648   3.8796   8.2648   3.8796   8.2648   3.8796  626.708  218.601  626.708  218.601 -0.000000 0.000000 
1 1 1  -36    0   14 o  1381.99  135.042   31.235   5.7156   31.235   5.7156   31.235   5.7156  1381.99  135.042  1381.99  135.042 -0.000000 0.000000 
1 1 1  -36    0   16 o  339.526  203.534   2.0435   3.8744   2.0435   3.8744   2.0435   3.8744  339.526  203.534  339.526  203.534 -0.000000 0.000000 
1 1 1  -36    0   18 o  2416.89  128.369   93.629   9.6522   93.629   9.6522   93.629   9.6522  2416.89  128.369  2416.89  128.369 -0.000000 0.000000 
1 1 1  -36    0   20 o  297.230  205.205  -4.4494   6.4203  -4.4494   6.4203  -4.4494   6.4203  297.230  205.205  297.230  205.205 -0.000000 0.000000 
1 1 1  -36    0   22 o  663.479  297.960   10.656   6.6137   10.656   6.6137   10.656   6.6137  663.479  297.960  663.479  297.960 -0.000000 0.000000 
1 1 1  -36    0   24 o  826.606  325.889   15.789   8.1043   15.789   8.1043   15.789   8.1043  826.606  325.889  826.606  325.889 -0.000000 0.000000 
1 1 1  -36    0   26 o  748.467  303.929   13.054   6.9826   13.054   6.9826   13.054   6.9826  748.467  303.929  748.467  303.929 -0.000000 0.000000 
1 1 1  -36    0   28 o  2433.30  200.436   98.765   15.033   98.765   15.033   98.765   15.033  2433.30  200.436  2433.30  200.436 -0.000000 0.000000 
1 1 1  -36    0   30 o  232.033  158.109  -1.8560   3.5377  -1.8560   3.5377  -1.8560   3.5377  232.033  158.109  232.033  158.109 -0.000000 0.000000 
1 1 1  -36    0   32 o  343.485  200.648   2.4630   3.5924   2.4630   3.5924   2.4630   3.5924  343.485  200.648  343.485  200.648 -0.000000 0.000000 
1 1 1  -36    0   34 o  1023.44  167.542   18.269   4.9369   18.269   4.9369   18.269   4.9369  1023.44  167.542  1023.44  167.542 -0.000000 0.000000 
1 1 1  -36    0   36 o  961.714  163.947   16.238   4.5062   16.238   4.5062   16.238   4.5062  961.714  163.947  961.714  163.947 -0.000000 0.000000 
1 1 1  -36    0   38 f  1603.28  192.658   44.513   9.3022   44.513   9.3022   44.513   9.3022  1603.28  192.658  1603.28  192.658 -0.000000 0.000000 
1 1 1  -36    0   40 o  640.954  244.546   9.4046   4.6244   9.4046   4.6244   9.4046   4.6244  640.954  244.546  640.954  244.546 -0.000000 0.000000 
1 1 1  -36    0   42 o  317.740  198.302   1.4559   4.0264   1.4559   4.0264   1.4559   4.0264  317.740  198.302  317.740  198.302 -0.000000 0.000000 
1 1 1  -36    0   44 o  322.751  215.454  -0.8014   5.9565  -0.8014   5.9565  -0.8014   5.9565  322.751  215.454  322.751  215.454 -0.000000 0.000000 
1 1 1  -36    0   46 o  2131.94  134.555   74.986   8.9004   74.986   8.9004   74.986   8.9004  2131.94  134.555  2131.94  134.555 -0.000000 0.000000 
1 1 1  -36    0   48 o  322.553  202.103   1.5579   4.2235   1.5579   4.2235   1.5579   4.2235  322.553  202.103  322.553  202.103 -0.000000 0.000000 
1 1 1  -36    0   50 o  785.078  218.383   12.550   4.6441   12.550   4.6441   12.550   4.6441  785.078  218.383  785.078  218.383 -0.000000 0.000000 
1 1 1  -36    1    1 o  612.305  155.877   6.3920   2.9964   5.4475   4.2993   7.2840   4.1783  580.422  197.622  650.136  191.988 -69.71393 275.5250 
1 1 1  -36    1    3 o  1098.99  103.487   19.466   3.5193   17.847   4.8963   21.196   5.0618  1033.31  156.204  1131.85  146.244 -98.54309 213.9786 
1 1 1  -36    1    5 o  314.617  139.935  -0.8630   2.7708  -0.9038   3.4609  -0.7903   4.6244  354.034  156.980  414.471  182.731 -60.43674 240.9008 
1 1 1  -36    1    7 o  638.151  147.758   6.8853   2.8943   4.1909   3.9533   9.9978   4.2490  529.395  188.885  761.830  180.829 -232.4342 261.4893 
1 1 1  -36    1    9 o  350.627  147.218   0.4482   2.7331  -3.7150   3.8896   4.5082   3.8412  322.556  151.469  538.677  186.671 -216.1214 240.3932 
1 1 1  -36    1   11 o  861.025  121.256   12.144   3.1786   12.163   4.3912   12.124   4.6071  844.525  171.900  840.093  180.518 4.432190 249.2710 
1 1 1  -36    1   13 o  532.122  153.411   4.7523   2.6966   3.0081   3.6862   6.7603   3.9550  478.922  180.466  629.310  187.020 -150.3882 259.8928 
1 1 1  -36    1   15 f  1902.78   89.095   57.593   5.3083   53.927   7.6237   61.043   7.3956  1818.39  134.856  1942.00  122.245 -123.6123 182.0163 
1 1 1  -36    1   17 o  1280.73   98.665   26.352   3.9263   26.538   5.5306   26.163   5.5749  1268.54  141.655  1258.38  144.079 10.15894 202.0521 
1 1 1  -36    1   19 o  1546.54  140.196   39.358   6.7153   36.994   9.2589   41.982   9.7543  1457.66  208.821  1556.69  205.109 -99.02820 292.7045 
1 1 1  -36    1   21 o  566.971  198.378   5.1507   4.3431   3.0256   6.0958   7.3416   6.1895  548.613  224.080  664.077  236.406 -115.4642 325.7295 
1 1 1  -36    1   23 o  831.567  191.713   12.255   4.8897   14.647   6.8799   9.8126   6.9508  885.989  241.414  737.580  251.279 148.4086 348.4567 
1 1 1  -36    1   25 o  1945.27  132.435   62.479   8.0187   61.735   11.299   63.234   11.382  1878.75  194.910  1902.74  193.734 -23.99280 274.8141 
1 1 1  -36    1   27 o  1526.51  138.490   39.034   6.5476   44.286   9.9655   35.045   8.6853  1565.96  208.413  1394.15  205.085 171.8075 292.3965 
1 1 1  -36    1   29 o  894.286  184.791   14.529   5.0034   14.429   7.1554   14.625   6.9990  844.201  251.707  852.926  247.520 -8.725159 353.0193 
1 1 1  -36    1   31 o  795.700  128.135   10.864   3.0841   5.2820   4.4369   16.083   4.2901  549.201  199.567  958.768  147.639 -409.5675 248.2423 
1 1 1  -36    1   33 o  847.050  128.512   12.453   3.3015   11.830   4.6331   13.096   4.7059  780.946  191.041  827.052  186.202 -46.10583 266.7726 
1 1 1  -36    1   35 o  408.029  153.913   2.6340   2.6829  -1.6140   3.8946   6.4704   3.7012  339.141  156.636  572.725  182.864 -233.5838 240.7781 
1 1 1  -36    1   37 o  1296.22  116.852   29.329   4.6918   33.215   5.6485   20.681   8.4259  1357.68  134.643  869.930  275.713 487.7451 306.8324 
1 1 1  -36    1   39 o  995.047  115.275   17.593   3.5251   20.374   4.8977   14.604   5.0778  1022.00  158.154  810.643  201.032 211.3528 255.7864 
1 1 1  -36    1   41 o  514.057  160.443   5.5731   2.8640   4.2950   3.9682   6.9628   4.1379  454.676  182.564  541.010  193.220 -86.33371 265.8268 
1 1 1  -36    1   43 o  961.776  144.667   18.629   4.2218   11.034   7.5020   22.149   5.1073  550.256  237.792  1015.04  166.464 -464.7859 290.2680 
1 1 1  -36    1   45 o  445.971  177.358   5.0754   3.7086   6.6196   4.6493   2.3741   6.1491  475.878  195.186  396.906  187.625 78.97284 270.7407 
1 1 1  -36    1   47 o  1594.04   98.860   47.298   4.9101   46.611   6.9155   47.998   6.9727  1420.97  158.107  1446.64  156.421 -25.66919 222.4079 
1 1 1  -36    1   49 o  1357.26  107.053   36.565   4.5127   34.396   6.3730   38.745   6.3910  1095.64  192.803  1216.02  172.699 -120.3761 258.8390 
1 1 1  -36    2    2 o  619.238  149.083   6.5082   2.8560   4.5604   4.0616   8.4133   4.0168  544.057  191.737  697.350  182.013 -153.2925 264.3704 
1 1 1  -36    2    4 o  337.398  141.592   0.4129   2.5261  -0.2229   3.6162   1.0189   3.5304  378.775  164.389  408.504  169.078 -29.72897 235.8202 
1 1 1  -36    2    6 o  858.754  125.088   12.111   3.2648   13.189   4.1348   10.327   5.3204  886.825  154.516  766.935  213.624 119.8898 263.6485 
1 1 1  -36    2    8 o  290.825  128.706  -0.6460   2.3157  -0.4478   3.3283  -0.8319   3.2239  358.129  156.533  342.643  151.740 15.48663 218.0078 
1 1 1  -36    2   10 o  645.611  138.852   7.0023   2.7236   13.094   3.9624   1.5461   3.7499  885.863  148.073  434.152  176.360 451.7109 230.2791 
1 1 1  -36    2   12 f  1029.24  102.621   17.078   3.2632   15.980   4.6971   18.102   4.5368  975.998  159.183  1046.73  142.094 -70.73352 213.3771 
1 1 1  -36    2   14 o  673.674  142.567   7.6447   2.9136   5.9535   3.9773   9.6033   4.2802  596.434  189.470  744.569  184.520 -148.1356 264.4744 
1 1 1  -36    2   16 o  527.539  161.417   4.6356   2.9153   1.0700   4.2900   7.6949   3.9737  442.260  184.988  667.092  184.181 -224.8319 261.0425 
1 1 1  -36    2   18 f  749.083  158.851   9.5707   3.6104   8.3574   4.1450   13.385   7.3497  692.741  186.813  853.823  255.220 -161.0818 316.2854 
1 1 1  -36    2   20 o  551.632  200.924   4.5871   4.5012   3.2276   7.1880   5.4640   5.7733  583.713  241.399  604.839  226.253 -21.12640 330.8535 
1 1 1  -36    2   22 o  1626.58  130.547   43.417   6.5930   41.246   9.5506   45.393   9.1128  1536.78  203.477  1629.62  181.679 -92.83972 272.7820 
1 1 1  -36    2   24 o  727.404  192.338   9.4444   4.4478   16.214   6.6238   3.8854   6.0022  936.929  227.952  561.762  224.895 375.1665 320.2184 
1 1 1  -36    2   26 o  824.519  200.081   12.358   5.1132   5.7278   7.6617   17.682   6.8658  632.355  253.759  971.149  229.431 -338.7941 342.0999 
1 1 1  -36    2   28 o  1405.48  139.026   33.315   6.0382   26.378   8.8797   39.281   8.2351  1159.47  251.795  1492.97  179.772 -333.5057 309.3842 
1 1 1  -36    2   30 o  1614.57  109.421   43.051   5.4993   44.917   6.7343   39.316   9.5275  1629.39  133.158  1439.12  218.278 190.2645 255.6876 
1 1 1  -36    2   32 o  1009.59  106.905   17.034   3.3282   21.192   4.8725   13.398   4.5568  1099.90  145.011  849.257  177.092 250.6428 228.8884 
1 1 1  -36    2   34 o  533.291  164.757   5.3251   3.0288   3.3097   4.4284   7.0965   4.1518  473.877  191.949  598.593  193.945 -124.7168 272.8712 
1 1 1  -36    2   36 o  424.112  173.244   2.5128   3.6441   5.5066   4.5425  -2.8925   6.1037  528.843  200.081  395.054  186.805 133.7885 273.7310 
1 1 1  -36    2   38 o  1518.50   96.491   39.144   4.5641   37.626   6.5249   40.598   6.3866  1415.17  149.512  1487.10  138.758 -71.93542 203.9794 
1 1 1  -36    2   40 o  628.871  157.556   8.0162   3.0961   5.5492   4.1283   11.187   4.6805  501.751  190.521  690.348  203.011 -188.5969 278.4093 
1 1 1  -36    2   42 o  404.497  165.544   3.0203   3.3353  -5.4041   6.5603   5.9567   3.8731  349.009  171.650  501.346  185.753 -152.3375 252.9185 
1 1 1  -36    2   44 o  996.182  116.792   18.728   3.5739   17.575   5.0483   19.887   5.0603  845.130  194.768  926.885  180.847 -81.75494 265.7825 
1 1 1  -36    2   46 o  1812.62  113.601   63.070   6.4151   59.405   7.8770   70.288   11.055  1633.88  155.855  1504.69  242.911 129.1888 288.6121 
1 1 1  -36    2   48 f  1387.43  104.247   37.073   4.4958   33.423   6.1761   41.187   6.5571  1134.72  179.818  1297.81  165.092 -163.0927 244.1098 
1 1 1  -36    2   50 o  428.147  166.783   5.9616   3.2206   8.0352   4.4194   3.6131   4.7032  438.125  185.747  349.040  164.720 89.08554 248.2638 
1 1 1  -36    3    1 o  433.453  155.231   2.7121   2.6725   5.0798   3.6585   0.0032   3.9133  556.244  182.161  398.234  171.920 158.0102 250.4782 
1 1 1  -36    3    3 o  811.549  142.245   10.998   3.4829   6.9225   5.9901   13.080   4.2809  656.165  232.676  879.759  161.349 -223.5938 283.1457 
1 1 1  -36    3    5 o  661.669  145.719   7.3885   2.9375   9.0512   4.2214   5.8276   4.0901  723.440  185.479  593.364  192.525 130.0753 267.3350 
1 1 1  -36    3    7 o  361.953  151.496   0.5496   2.8799   4.7562   3.5916  -7.0251   4.8195  543.693  180.607  325.265  157.015 218.4283 239.3168 
1 1 1  -36    3    9 o  1273.93   97.345   26.003   3.8537   25.671   5.5603   26.310   5.3459  1248.74  144.897  1267.63  136.852 -18.89355 199.3078 
1 1 1  -36    3   11 o  592.468  157.198   5.9565   2.9644   5.1853   4.2733   6.6718   4.1158  572.144  196.969  627.103  191.781 -54.95947 274.9123 
1 1 1  -36    3   13 o  751.265  128.261   9.3480   2.9089   7.2794   4.1026   11.439   4.1251  651.134  189.662  820.010  166.345 -168.8765 252.2740 
1 1 1  -36    3   15 o  1603.29   92.813   41.070   4.6396   37.937   6.5998   44.131   6.5235  1521.26  140.127  1647.82  127.422 -126.5587 189.3985 
1 1 1  -36    3   17 o  1243.80  111.972   25.042   4.3142   26.892   5.3776   21.700   7.2266  1279.49  136.324  1109.78  215.730 169.7098 255.1933 
1 1 1  -36    3   19 o  1388.45  140.634   31.784   6.0298   25.600   9.0577   36.706   8.0807  1181.21  252.544  1471.12  179.118 -289.9084 309.6151 
1 1 1  -36    3   21 o  1920.89  127.940   60.260   7.6512   64.210   11.044   56.615   10.610  1941.63  183.841  1818.17  189.134 123.4612 263.7600 
1 1 1  -36    3   23 o  701.168  191.230   8.7195   4.3145   7.6977   6.5447   9.5049   5.7380  674.096  242.762  725.167  227.222 -51.07098 332.5099 
1 1 1  -36    3   25 o  1777.42  138.392   52.480   7.6415   50.742   11.063   54.066   10.568  1682.52  214.889  1755.83  195.537 -73.30872 290.5376 
1 1 1  -36    3   27 o  834.477  192.721   12.646   4.9341   8.3570   7.0420   16.782   6.9154  681.698  250.853  934.996  236.145 -253.2983 344.5165 
1 1 1  -36    3   29 o  1485.07  109.261   36.316   5.0451   45.263   6.2822   20.066   8.4668  1648.48  122.581  981.425  267.976 667.0605 294.6819 
1 1 1  -36    3   31 f  1348.38   96.249   29.829   4.0371   23.571   5.7114   36.077   5.7072  1150.34  163.131  1460.44  126.036 -310.1019 206.1477 
1 1 1  -36    3   33 o  369.486  151.802   1.3521   2.8181  -5.1868   4.2533   6.4690   3.7625  305.663  147.540  581.800  184.225 -276.1368 236.0232 
1 1 1  -36    3   35 o  1071.63  133.022   20.302   4.3676   20.556   5.3295   19.782   7.6217  1044.31  168.737  917.532  255.723 126.7744 306.3765 
1 1 1  -36    3   37 o  795.657  135.865   11.551   3.2634   13.466   4.7966   9.9008   4.4528  803.942  192.990  679.693  197.480 124.2488 276.1219 
1 1 1  -36    3   39 o  638.814  181.786   8.7352   3.8101   1.5428   7.5175   11.221   4.4198  461.442  214.670  715.008  192.944 -253.5662 288.6358 
1 1 1  -36    3   41 o  602.893  158.028   7.5321   3.0196   6.4864   4.5143   8.3787   4.0620  519.714  198.776  596.938  191.674 -77.22418 276.1351 
1 1 1  -36    3   43 o  564.805  163.238   7.0738   3.0497   4.7336   4.6875   8.7914   4.0158  451.312  191.316  593.530  190.580 -142.2180 270.0419 
1 1 1  -36    3   45 o  507.887  170.435   6.3529   3.1973   0.9428   4.7234   10.928   4.3437  361.059  168.701  631.196  197.683 -270.1369 259.8820 
1 1 1  -36    3   47 o  301.320  137.672   0.5414   2.8984  -2.3825   4.2271   3.1357   3.9817  292.427  142.536  375.302  167.280 -82.87509 219.7705 
1 1 1  -36    3   49 o  627.195  167.689   10.511   3.3568   11.125   4.7933   9.9192   4.7026  525.904  203.855  496.848  199.009 29.05588 284.8882 
1 1 1  -36    4    2 o  599.525  164.108   6.1322   3.1707   6.1064   4.8336   6.1517   4.2007  612.078  209.538  605.803  194.959 6.275391 286.2084 
1 1 1  -36    4    4 o  655.312  144.508   7.2483   2.8855   10.121   4.1527   4.5664   4.0123  767.076  176.553  543.834  190.652 223.2420 259.8444 
1 1 1  -36    4    6 o  769.898  130.873   9.8207   3.0421   10.647   4.3464   9.0273   4.2593  786.456  180.340  722.387  186.884 64.06964 259.7075 
1 1 1  -36    4    8 o  285.015  130.800  -1.7703   2.6558  -1.2610   3.6620  -2.3354   3.8573  356.931  159.659  345.324  158.167 11.60724 224.7398 
1 1 1  -36    4   10 o  1073.20  101.348   18.534   3.3654   21.340   4.8670   15.963   4.6587  1139.32  139.331  976.481  157.741 162.8366 210.4647 
1 1 1  -36    4   12 o  856.196  115.043   11.960   3.0062   17.205   4.2903   6.9015   4.2136  1021.79  137.591  636.663  193.911 385.1294 237.7660 
1 1 1  -36    4   14 o  1058.46  119.932   18.245   3.9047   19.816   4.8866   15.472   6.4945  1093.78  146.348  931.919  225.093 161.8562 268.4858 
1 1 1  -36    4   16 o  976.901  130.165   15.700   3.8826   11.066   4.8308   24.154   6.5249  795.420  195.375  1192.29  180.413 -396.8729 265.9326 
1 1 1  -36    4   18 o  1401.68  140.513   32.346   6.0841   33.893   9.1580   31.123   8.1401  1390.50  217.460  1342.51  199.722 47.98254 295.2587 
1 1 1  -36    4   20 o  646.391  193.967   7.2563   4.2391  -2.4899   6.3647   15.026   5.6830  452.854  205.782  922.088  202.381 -469.2332 288.6246 
1 1 1  -36    4   22 o  2191.33  130.092   78.609   8.8864   78.575   12.701   78.641   12.437  2137.55  191.807  2142.91  187.235 -5.363770 268.0425 
1 1 1  -36    4   24 o  941.342  172.402   15.375   4.8944   19.554   7.6309   12.455   6.3795  1020.67  242.378  816.567  236.121 204.0988 338.3788 
1 1 1  -36    4   26 o  1521.59  106.285   37.707   5.0321   30.855   6.1577   51.484   8.7310  1351.39  147.935  1736.49  162.462 -385.1013 219.7244 
1 1 1  -36    4   28 o  1343.41  111.334   29.718   4.6411   30.534   5.6949   28.104   8.0085  1345.18  137.122  1228.47  216.084 116.7036 255.9197 
1 1 1  -36    4   30 o  1177.89  103.380   22.879   3.7744   18.802   5.4911   26.531   5.1966  1018.03  178.780  1247.56  135.191 -229.5330 224.1402 
1 1 1  -36    4   32 o  638.460  161.438   7.4941   3.2294   7.5658   4.6109   7.4251   4.5243  623.181  204.524  618.542  202.574 4.638550 287.8652 
1 1 1  -36    4   34 o  699.896  163.871   9.2090   3.5280   9.3317   4.4352   8.9976   5.8216  680.299  196.926  647.578  229.407 32.72144 302.3365 
1 1 1  -36    4   36 o  228.623  110.205  -3.0438   2.3534  -0.5895   3.7064  -4.7016   3.0462  347.984  157.700  245.872  120.097 102.1116 198.2240 
1 1 1  -36    4   38 f  575.706  156.596   6.5190   2.8977   4.3434   4.6812   7.8705   3.6896  482.703  196.671  613.588  180.190 -130.8845 266.7362 
1 1 1  -36    4   40 o  847.167  151.227   14.023   3.8644   12.397   7.3273   14.649   4.5484  638.459  250.751  832.077  179.822 -193.6183 308.5647 
1 1 1  -36    4   42 o  284.935  131.639  -0.8236   2.7537  -1.5517   3.9628  -0.1437   3.8294  320.007  151.074  339.760  156.344 -19.75253 217.4099 
1 1 1  -36    4   44 o  706.701  154.484   10.664   3.3231   13.615   5.1973   8.6231   4.3220  691.646  216.177  562.700  197.839 128.9453 293.0403 
1 1 1  -36    4   46 o  769.040  147.285   12.770   3.4176   14.307   5.1519   11.562   4.5671  677.953  215.670  623.899  203.490 54.05383 296.5157 
1 1 1  -36    4   48 o  1641.23  102.091   51.340   5.2206   47.063   7.3067   55.799   7.4618  1359.62  175.739  1537.65  157.186 -178.0286 235.7793 
1 1 1  -36    4   50 o  709.423  161.532   13.166   3.5078   8.5952   4.9539   17.763   4.9678  433.674  190.223  702.227  209.811 -268.5524 283.2055 
1 1 1  -36    5    1 f  544.426  194.277   4.5379   4.1824   0.0000   0.0000   4.5379   4.1824  ?   ?   544.426  194.277 0.000000 194.2774 
1 1 1  -36    5    3 o  1083.56  105.500   18.960   3.5341   19.537   4.8448   18.303   5.1666  1085.42  146.273  1042.94  163.592 42.48535 219.4495 
1 1 1  -36    5    5 o  1085.07  100.049   18.940   3.3610   21.258   4.7888   16.689   4.7184  1137.39  137.235  999.021  155.927 138.3643 207.7178 
1 1 1  -36    5    7 o  912.898  137.383   13.778   3.8054   17.087   4.6276   6.8686   6.6877  1013.67  150.354  667.067  244.614 346.5997 287.1276 
1 1 1  -36    5    9 o  309.617  143.002  -2.3754   3.2463  -2.3754   3.2463   0.0000   0.0000  309.617  143.002  ?   ?  0.000000 143.0017 
1 1 1  -36    5   11 o  1207.73  113.699   23.587   4.2491   24.132   5.3156   22.622   7.0721  1210.85  142.955  1143.68  205.013 67.16736 249.9332 
1 1 1  -36    5   13 o  354.863  154.896  -0.3951   3.2493   0.1493   4.0249  -1.4140   5.5062  407.981  175.227  440.338  196.458 -32.35657 263.2495 
1 1 1  -36    5   15 o  1063.94  120.986   18.455   3.9589   17.345   4.7492   20.984   7.1672  1018.97  153.620  1092.07  217.242 -73.10291 266.0694 
1 1 1  -36    5   17 o  878.990  181.818   13.335   4.8391  -5.6241   7.5866   26.339   6.2833  457.308  213.717  1253.23  164.056 -795.9211 269.4240 
1 1 1  -36    5   19 o  464.637  184.491   2.3023   4.0071  -3.1697   6.1390   6.3641   5.2892  434.284  199.143  624.564  218.899 -190.2800 295.9303 
1 1 1  -36    5   21 o  722.910  190.043   9.2131   4.3586   9.5744   6.5340   8.9235   5.8506  732.599  243.613  709.507  230.262 23.09222 335.2130 
1 1 1  -36    5   23 o  1271.32  147.742   27.067   5.7717   28.723   8.8398   25.837   7.6201  1253.25  233.863  1204.10  209.730 49.15381 314.1312 
1 1 1  -36    5   25 o  510.079  175.040   4.2486   3.3734   4.3665   4.2997   4.0599   5.4407  532.417  196.001  548.911  215.915 -16.49353 291.6095 
1 1 1  -36    5   27 o  592.794  186.971   6.2507   3.8784   1.7889   5.3915   11.036   5.5834  486.332  205.617  763.216  220.956 -276.8837 301.8275 
1 1 1  -36    5   29 o  574.940  155.666   5.8830   2.8713   9.2418   4.1439   2.7813   3.9821  707.422  184.980  464.142  184.035 243.2802 260.9334 
1 1 1  -36    5   31 o  1115.75  101.961   20.610   3.5228   20.808   5.1559   20.436   4.8247  1083.46  156.513  1081.38  146.237 2.077881 214.2000 
1 1 1  -36    5   33 o  416.430  162.866   2.4504   3.0805   0.4653   4.0904   5.0517   4.6823  394.644  172.983  532.636  202.746 -137.9922 266.5128 
1 1 1  -36    5   35 o  1341.18   96.347   30.054   4.0192   31.639   5.9416   28.716   5.4572  1325.09  145.601  1268.46  139.714 56.62598 201.7908 
1 1 1  -36    5   37 o  370.370  150.392   1.7660   2.7257   0.6936   4.0793   2.6310   3.6636  385.988  170.823  424.026  173.514 -38.03784 243.4909 
1 1 1  -36    5   39 o  755.414  143.647   10.838   3.2736   10.482   5.1263   11.083   4.2540  660.280  215.601  718.168  187.243 -57.88745 285.5584 
1 1 1  -36    5   41 o  1831.74  139.329   63.961   7.9315   0.0000   0.0000   63.961   7.9315  ?   ?   1831.74  139.329 0.000000 139.3293 
1 1 1  -36    5   43 o  1062.38  116.854   20.940   3.8230   16.941   5.6104   24.406   5.2234  800.723  217.933  1081.42  159.003 -280.6972 269.7717 
1 1 1  -36    5   45 o  749.348  148.464   11.900   3.3604   11.434   4.8286   12.338   4.6795  622.860  209.447  665.334  204.663 -42.47394 292.8400 
1 1 1  -36    5   47 o  1724.44  102.706   55.784   5.5206   58.795   7.9383   52.963   7.6827  1591.38  161.548  1494.70  167.004 96.67456 232.3535 
1 1 1  -36    5   49 o  889.055  161.118   19.505   4.3201   21.260   5.6262   16.983   6.7436  781.857  220.352  550.720  231.241 231.1362 319.4170 
1 1 1  -36    6    2 o  740.563  198.137   9.6329   4.6846   6.2782   7.2925   11.990   6.1127  657.588  252.372  816.352  229.542 -158.7646 341.1474 
1 1 1  -36    6    4 o  331.658  146.407  -0.6803   2.9780  -1.1735   3.9112   0.0000   4.5937  371.264  165.613  429.573  185.857 -58.30936 248.9390 
1 1 1  -36    6    6 o  719.222  161.607   8.8122   3.5508   8.7316   4.3376   8.9760   6.1819  709.612  190.997  721.903  236.810 -12.29034 304.2354 
1 1 1  -36    6    8 o  421.266  162.762   2.0421   3.0479   1.1495   3.8764   3.4874   4.9328  427.966  177.155  533.035  206.751 -105.0691 272.2675 
1 1 1  -36    6   10 o  719.927  163.120   8.8322   3.5920   8.4437   4.3709   9.6404   6.3044  698.406  193.303  744.194  238.770 -45.78790 307.2083 
1 1 1  -36    6   12 o  1153.79  117.818   21.602   4.1968   22.378   5.2570   20.240   6.9689  1163.24  147.653  1075.14  214.524 88.09998 260.4265 
1 1 1  -36    6   14 o  834.383  149.796   11.684   3.7698   11.121   4.8606   12.534   5.9721  798.140  195.935  838.902  223.376 -40.76215 297.1319 
1 1 1  -36    6   16 o  1060.33  161.199   18.893   5.1835   16.079   7.3302   21.708   7.3309  938.851  246.281  1108.95  218.891 -170.1017 329.4960 
1 1 1  -36    6   18 o  935.513  172.367   14.966   4.8632   10.222   7.4421   18.502   6.4246  761.114  260.004  1025.37  207.230 -264.2545 332.4851 
1 1 1  -36    6   20 o  1750.11  128.449   50.050   6.9899   56.630   10.165   44.148   9.6270  1826.56  180.075  1599.55  196.333 227.0150 266.4088 
1 1 1  -36    6   22 o  1007.42  164.865   17.348   5.0207   15.888   7.2954   18.662   6.9200  919.676  247.768  1012.36  224.212 -92.68640 334.1556 
1 1 1  -36    6   24 o  1263.80  149.797   26.930   5.8125   28.306   8.1448   25.501   8.2976  1251.43  215.637  1172.64  234.178 78.79126 318.3373 
1 1 1  -36    6   26 o  423.695  159.258   2.4797   2.8672   4.1323   4.4207   1.2797   3.7671  524.273  197.615  417.708  173.915 106.5655 263.2450 
1 1 1  -36    6   28 o  759.395  135.457   9.8951   3.1028   7.0561   4.6543   12.166   4.1629  621.122  205.562  827.161  166.488 -206.0389 264.5264 
1 1 1  -36    6   30 o  735.636  135.502   9.3952   3.0062   6.3527   4.9168   11.212   3.7990  589.738  210.623  791.848  158.747 -202.1102 263.7475 
1 1 1  -36    6   32 o  1400.28  114.265   32.998   4.9664   34.925   6.4617   30.216   7.7632  1407.85  148.835  1249.73  205.533 158.1211 253.7630 
1 1 1  -36    6   34 f  877.273  120.325   13.310   3.2182   15.469   5.0595   11.842   4.1707  891.424  187.220  787.978  173.710 103.4464 255.3948 
1 1 1  -36    6   36 o  399.638  156.969   2.3759   2.8716   1.7986   4.7560   2.7071   3.6023  433.897  188.419  429.022  173.351 4.875580 256.0320 
1 1 1  -36    6   38 o  1071.31  108.985   19.937   3.6050   17.775   5.3044   21.793   4.9145  925.965  189.336  1076.11  149.921 -150.1474 241.5041 
1 1 1  -36    6   40 o  1533.24  107.459   41.225   5.1264   54.558   8.9979   34.817   6.2379  1618.03  180.683  1341.68  151.112 276.3477 235.5445 
1 1 1  -36    6   42 o  251.961  122.391  -3.5721   3.0441  -4.1760   6.0574  -3.3681   3.5209  350.205  170.682  276.908  133.805 73.29651 216.8782 
1 1 1  -36    6   44 o  818.049  139.270   13.424   3.4396   13.635   5.1441   13.254   4.6257  701.238  214.396  723.671  198.272 -22.43335 292.0228 
1 1 1  -36    6   46 o  1207.72  111.138   27.652   4.1557   27.440   5.8663   27.867   5.8880  1064.01  182.653  1074.84  181.405 -10.82520 257.4294 
1 1 1  -36    6   48 o  1093.36  207.177   34.446   6.8333   34.446   6.8333   0.0000   0.0000  1093.36  207.177  ?   ?  0.000000 207.1772 
1 1 1  -36    7    1 o  438.474  163.936   2.5690   3.0302   2.7609   3.8986   2.2761   4.8163  474.930  183.917  491.651  199.809 -16.72107 271.5679 
1 1 1  -36    7    3 o  574.993  205.471   5.1226   4.6798   17.010   7.7831  -1.6091   5.8569  960.079  254.703  449.289  201.376 510.7904 324.6938 
1 1 1  -36    7    5 o  306.975  140.521  -1.8690   3.0386  -1.4214   3.7040  -2.7903   5.3136  354.911  159.531  407.328  186.223 -52.41663 245.2126 
1 1 1  -36    7    7 o  487.181  166.372   3.6872   3.0471   3.6441   3.8230   3.7624   5.0456  505.561  185.014  543.474  209.573 -37.91354 279.5550 
1 1 1  -36    7    9 o  527.918  176.871   4.4479   3.4432   0.7949   4.2041   11.891   6.0010  432.435  182.130  817.745  226.556 -385.3101 290.6869 
1 1 1  -36    7   11 o  1104.14  120.230   19.832   4.0895   21.524   5.1136   16.830   6.8120  1140.82  146.536  972.013  227.790 168.8116 270.8521 
1 1 1  -36    7   13 o  564.961  172.824   5.3507   3.3421   5.3528   3.9868   5.3459   6.1297  572.854  190.285  613.821  232.376 -40.96722 300.3446 
1 1 1  -36    7   15 o  1413.28  141.372   32.834   6.1723   27.961   9.3570   36.587   8.2124  1243.81  248.939  1470.52  182.259 -226.7047 308.5278 
1 1 1  -36    7   17 o  372.650  167.373  -1.4449   4.0682 -10.8101   5.7890   7.6931   5.7183  330.054  162.109  673.454  227.922 -343.4003 279.6925 
1 1 1  -36    7   19 o  525.614  196.034   3.9318   4.3278   5.7679   6.9326   2.7593   5.5399  634.938  245.428  526.834  214.222 108.1041 325.7700 
1 1 1  -36    7   21 o  1398.26  139.023   32.378   6.0061   29.632   9.4276   34.255   7.7921  1267.50  246.413  1413.49  180.148 -145.9872 305.2422 
1 1 1  -36    7   23 o  767.711  128.986   9.8845   2.9907   11.839   4.4971   8.3347   4.0047  819.380  180.182  685.443  183.110 133.9368 256.8945 
1 1 1  -36    7   25 o  774.139  122.942   10.041   2.8805   17.402   4.4246   4.6253   3.7948  1013.41  143.443  530.542  185.445 482.8637 234.4477 
1 1 1  -36    7   27 o  609.786  149.426   6.5251   2.8308   8.0605   4.2694   5.3206   3.7815  662.594  193.618  553.201  185.356 109.3931 268.0392 
1 1 1  -36    7   29 o  1330.50   95.980   28.934   3.9718   22.185   5.6849   35.370   5.5515  1117.39  167.653  1452.53  123.219 -335.1444 208.0635 
1 1 1  -36    7   31 o  819.591  126.184   11.544   3.1344   11.731   4.6508   11.387   4.2427  784.131  191.150  781.954  177.358 2.177429 260.7574 
1 1 1  -36    7   33 o  520.960  160.475   5.0012   2.8758   4.9264   4.5035   5.0528   3.7370  525.901  199.160  523.792  183.973 2.108887 271.1285 
1 1 1  -36    7   35 o  746.080  136.684   10.010   3.0755   10.731   4.5884   9.4229   4.1442  723.607  197.147  684.801  187.688 38.80658 272.2013 
1 1 1  -36    7   37 o  994.343  113.689   17.201   3.4761   16.667   5.3459   17.593   4.5755  896.398  195.929  965.141  156.782 -68.74286 250.9360 
1 1 1  -36    7   39 o  1021.08  129.532   18.998   4.0483   21.344   7.1593   17.895   4.9084  922.516  244.067  942.541  172.674 -20.02466 298.9735 
1 1 1  -36    7   41 o  1112.47  114.480   22.250   3.9309   20.669   5.9761   23.456   5.2187  943.949  207.814  1082.95  158.600 -139.0051 261.4209 
1 1 1  -36    7   43 o  955.154  153.008   18.612   4.4217   22.770   7.6436   16.520   5.4208  839.268  262.136  806.588  211.888 32.68079 337.0633 
1 1 1  -36    7   45 o  339.389  149.114   1.3928   3.0552   0.8964   4.5603   1.7970   4.1153  361.405  167.821  369.879  167.028 -8.473907 236.7744 
1 1 1  -36    7   47 o  359.288  153.275   2.5737   3.0424   2.3000   4.4307   2.8180   4.1849  366.675  168.523  374.308  168.786 -7.633514 238.5135 
1 1 1  -36    8    2 o  765.132  159.825   10.012   3.7056   9.4986   4.6248   10.934   6.1932  733.829  197.093  778.003  234.674 -44.17389 306.4597 
1 1 1  -36    8    4 o  556.047  200.075   4.7114   4.4445  -1.7817   8.0879   7.5205   5.3197  524.986  235.880  664.174  219.764 -139.1877 322.3906 
1 1 1  -36    8    6 o  572.880  169.820   5.5544   3.2641   5.0206   4.1606   6.4088   5.2636  562.356  194.312  628.148  218.469 -65.79218 292.3796 
1 1 1  -36    8    8 o  323.174  144.053  -0.9535   2.9532  -1.5660   3.5283   0.4794   5.3968  342.304  154.609  472.724  202.967 -130.4204 255.1461 
1 1 1  -36    8   10 o  760.687  203.337   10.152   4.9364   10.152   4.9364   0.0000   0.0000  760.687  203.337  ?   ?  0.000000 203.3369 
1 1 1  -36    8   12 o  430.884  178.524   1.1821   3.9417   5.0691   6.5949  -0.9782   4.9165  616.083  239.031  422.831  187.312 193.2522 303.6801 
1 1 1  -36    8   14 o  648.404  170.561   7.2299   3.5094   7.8582   6.4563   6.9664   4.1810  687.869  241.804  637.229  192.954 50.64020 309.3548 
1 1 1  -36    8   16 o  645.021  167.301   7.1614   3.4077  -1.3912   7.4064   9.4580   3.8380  508.607  227.315  741.122  169.119 -232.5144 283.3259 
1 1 1  -36    8   18 o  1218.28  112.619   24.105   4.2475   22.413   7.9625   24.778   5.0217  1110.94  236.173  1226.86  132.839 -115.9285 270.9688 
1 1 1  -36    8   20 o  1181.84   98.667   22.546   3.6179   36.492   5.5102   11.978   4.7967  1496.29  118.578  823.835  189.846 672.4579 223.8352 
1 1 1  -36    8   22 o  1401.03   94.044   31.617   4.1017   27.395   5.9114   35.537   5.6961  1275.89  150.886  1470.45  124.893 -194.5569 195.8691 
1 1 1  -36    8   24 o  915.094  117.194   13.860   3.2809   20.793   5.0950   8.9488   4.2884  1105.88  151.089  704.721  190.006 401.1558 242.7556 
1 1 1  -36    8   26 o  542.343  162.233   5.1443   2.9689   1.2232   4.4964   8.1753   3.9532  442.682  187.501  671.860  182.970 -229.1778 261.9822 
1 1 1  -36    8   28 o  1087.61  105.298   19.505   3.5411   13.407   5.4366   23.998   4.6668  840.290  207.789  1194.46  126.712 -354.1691 243.3763 
1 1 1  -36    8   30 o  1028.25  113.228   17.714   3.5852   20.316   5.3467   15.588   4.8326  1065.05  165.712  925.370  173.147 139.6766 239.6674 
1 1 1  -36    8   32 o  1059.88  131.609   19.435   4.2737   17.973   5.6722   21.355   6.4999  967.977  193.901  1045.33  205.907 -77.35602 282.8341 
1 1 1  -36    8   34 o  435.226  160.501   3.1380   2.8850   10.546   4.4872  -2.0819   3.7667  726.056  193.765  326.780  152.001 399.2752 246.2705 
1 1 1  -36    8   36 o  362.080  151.209   1.2853   2.8599   2.9663   4.1614  -0.2193   3.9369  449.577  184.558  365.400  164.337 84.17651 247.1201 
1 1 1  -36    8   38 o  762.496  160.768   11.307   3.7175   11.082   7.3668   11.384   4.3060  643.908  251.852  739.241  186.141 -95.33344 313.1740 
1 1 1  -36    8   40 o  581.211  167.588   7.0245   3.2178   8.5180   5.3042   6.1548   4.0476  585.845  217.315  527.549  190.778 58.29572 289.1747 
1 1 1  -36    8   42 o  1202.81  115.583   26.256   4.2996   23.981   6.3477   28.185   5.8444  1010.53  207.554  1171.60  163.789 -161.0716 264.3969 
1 1 1  -36    8   44 o  546.796  174.592   7.0388   3.3739   6.5136   4.6933   7.6004   4.8535  494.701  198.578  522.452  204.404 -27.75082 284.9811 
1 1 1  -36    8   46 o  1274.30  114.688   30.952   4.5272   28.714   6.6507   32.885   6.1800  1029.94  213.245  1199.33  169.269 -169.3887 272.2592 
1 1 1  -36    9    1 o  451.239  165.360   2.8918   3.0554   0.3605   4.5954   4.8974   4.0906  434.553  186.954  552.862  192.577 -118.3089 268.3979 
1 1 1  -36    9    3 f  818.404  137.054   11.193   3.3880   10.938   5.0388   11.403   4.5771  784.932  203.366  808.106  184.891 -23.17413 274.8500 
1 1 1  -36    9    5 o  694.120  170.993   8.3216   3.6922   4.2907   8.1963   9.3478   4.1355  631.643  259.124  733.090  181.196 -101.4471 316.1921 
1 1 1  -36    9    7 o  712.796  144.665   8.5751   3.1185   8.1116   4.6067   8.9671   4.2369  682.422  201.609  717.447  186.777 -35.02509 274.8299 
1 1 1  -36    9    9 o  468.488  162.048   3.3627   2.8940   9.8161   4.7018  -0.5735   3.6721  748.185  197.718  372.219  163.508 375.9666 256.5685 
1 1 1  -36    9   11 o  727.268  195.775   9.2546   4.5570   9.8642   7.0392   8.8147   5.9790  750.862  252.885  712.544  232.851 38.31818 343.7590 
1 1 1  -36    9   13 o  500.483  168.959   3.9722   3.1423   16.024   7.1215   1.0587   3.5016  937.896  241.150  407.199  168.450 530.6967 294.1578 
1 1 1  -36    9   15 o  1189.49  119.089   23.051   4.3760   13.124   8.5956   26.524   5.0841  842.567  279.379  1272.39  129.409 -429.8245 307.8948 
1 1 1  -36    9   17 o  504.999  172.325   4.0520   3.2691  -0.9424   6.4158   5.8034   3.7993  479.786  213.189  585.145  185.107 -105.3588 282.3367 
1 1 1  -36    9   19 o  731.647  135.337   9.0079   2.9863   4.4005   4.5451   12.508   3.9615  544.138  201.298  858.124  153.043 -313.9852 252.8696 
1 1 1  -36    9   21 o  760.798  132.370   9.7300   3.0389   11.612   4.6888   8.3667   3.9904  808.585  188.644  687.840  182.325 120.7451 262.3530 
1 1 1  -36    9   23 o  1496.31   96.354   36.176   4.4905   36.161   6.7222   36.188   6.0343  1465.51  148.542  1476.93  131.869 -11.42517 198.6302 
1 1 1  -36    9   25 o  676.073  145.077   7.9156   2.9793   5.2083   4.4619   10.094   4.0021  559.848  200.569  752.452  173.420 -192.6044 265.1458 
1 1 1  -36    9   27 o  1068.71  108.133   18.851   3.5688   19.827   5.1591   17.956   4.9418  1065.96  159.467  1012.44  161.296 53.52258 226.8173 
1 1 1  -36    9   29 o  267.761  124.147  -1.7547   2.4816   1.6991   3.8771  -4.1514   3.2298  426.558  176.920  270.532  130.089 156.0268 219.5993 
1 1 1  -36    9   31 o  1080.97  132.096   20.112   4.3782   18.759   5.5204   22.407   7.1878  1004.93  182.142  1059.52  223.677 -54.58295 288.4566 
1 1 1  -36    9   33 o  795.076  128.721   11.034   3.0951   10.394   4.8720   11.467   4.0077  716.356  206.116  783.669  168.343 -67.31256 266.1260 
1 1 1  -36    9   35 o  869.391  131.954   13.389   3.4793   13.209   5.1330   13.542   4.7323  800.194  204.189  828.018  186.949 -27.82367 276.8447 
1 1 1  -36    9   37 o  392.211  160.307   2.0099   3.1225   2.0713   5.7604   1.9843   3.7157  458.678  202.993  408.378  171.570 50.29956 265.7858 
1 1 1  -36    9   39 o  353.246  150.512   1.1467   2.9272  -0.0700   4.2397   2.2549   4.0463  369.934  168.044  415.905  177.079 -45.97086 244.1230 
1 1 1  -36    9   41 o  1855.01   94.754   59.017   5.4854   61.731   8.0039   56.613   7.5327  1800.59  143.142  1730.26  140.240 70.33337 200.3921 
1 1 1  -36    9   43 o  314.968  143.931  -0.2300   3.1695  -2.1433   4.5548   1.5662   4.4132  330.262  157.647  387.066  174.046 -56.80356 234.8286 
1 1 1  -36    9   45 o  792.533  151.921   13.238   3.6329   10.836   5.3493   15.295   4.9494  589.515  218.323  769.028  202.678 -179.5135 297.8986 
1 1 1  -36   10    2 o  473.030  160.360   3.5422   2.8307   2.4713   4.2131   4.4234   3.8218  475.414  189.047  530.199  186.060 -54.78500 265.2490 
1 1 1  -36   10    4 o  388.716  154.806   1.4698   2.8291   3.0278   4.4432   0.4074   3.6690  500.504  195.639  395.617  168.536 104.8866 258.2230 
1 1 1  -36   10    6 o  274.638  127.667  -2.1837   2.6506   2.8770   4.0964  -5.8284   3.4764  485.615  188.394  267.034  129.961 218.5804 228.8719 
1 1 1  -36   10    8 o  394.978  156.780   1.5450   2.8929  -1.8713   4.7064   3.6195   3.6675  394.947  178.459  498.608  181.401 -103.6612 254.4682 
1 1 1  -36   10   10 o  593.050  178.706   5.9906   3.5927   11.642   8.1842   4.6416   3.9986  803.469  272.668  544.192  190.352 259.2774 332.5382 
1 1 1  -36   10   12 o  396.004  175.243  -0.8451   4.2923  -5.9661   7.4759   1.6733   5.2426  448.181  210.310  492.190  205.067 -44.00870 293.7394 
1 1 1  -36   10   14 o  738.096  162.915   9.3519   3.6644  -5.1056   7.6072   13.720   4.1815  462.661  215.474  901.726  153.602 -439.0649 264.6183 
1 1 1  -36   10   16 o  305.619  137.125  -1.0411   2.7232   3.3590   4.5146  -3.5579   3.4144  512.147  198.030  296.407  140.024 215.7397 242.5335 
1 1 1  -36   10   18 o  713.052  136.926   8.5789   2.9461   6.1572   4.4258   10.506   3.9477  603.066  200.495  779.503  166.781 -176.4367 260.7955 
1 1 1  -36   10   20 o  915.312  117.423   13.802   3.2878   12.993   5.0172   14.411   4.3526  854.903  192.107  918.748  156.935 -63.84515 248.0597 
1 1 1  -36   10   22 o  335.111  145.449  -0.1113   2.8313  -1.6993   4.2640   1.1410   3.7865  372.631  168.983  416.839  174.025 -44.20868 242.5695 
1 1 1  -36   10   24 o  984.171  113.533   15.988   3.4345   20.277   5.0144   12.198   4.7139  1089.85  150.995  822.864  187.173 266.9876 240.4850 
1 1 1  -36   10   26 o  1179.44   98.964   22.706   3.6211   20.923   5.3793   24.184   4.8966  1096.08  161.584  1198.62  132.690 -102.5452 209.0841 
1 1 1  -36   10   28 o  1437.28   94.556   33.674   4.2317   34.055   6.1820   33.338   5.8049  1411.62  141.776  1402.94  133.763 8.685425 194.9174 
1 1 1  -36   10   30 o  963.033  141.815   16.128   4.1484   15.378   5.1553   17.504   6.9872  907.685  187.589  922.848  239.664 -15.16333 304.3488 
1 1 1  -36   10   32 o  1510.94   94.181   37.562   4.4337   42.909   6.5937   33.148   5.9899  1576.42  134.879  1378.96  140.695 197.4551 194.9034 
1 1 1  -36   10   34 o  645.700  153.636   7.7082   3.0612   7.7003   4.8831   7.7134   3.9292  614.165  210.605  626.092  186.487 -11.92676 281.3037 
1 1 1  -36   10   36 o  432.324  170.150   2.9085   3.3805  -0.6002   6.0132   4.5298   4.0876  426.148  196.030  497.278  189.398 -71.13068 272.5790 
1 1 1  -36   10   38 o  775.925  141.141   11.137   3.3029   11.779   4.9091   10.606   4.4644  733.388  205.526  705.355  195.408 28.03271 283.5934 
1 1 1  -36   10   40 o  943.381  126.710   16.186   3.6483   18.337   5.2273   14.144   5.0944  936.922  184.743  793.803  203.885 143.1183 275.1348 
1 1 1  -36   10   42 o  475.598  174.762   4.8418   3.4161  -1.5519   5.2374   9.5760   4.5067  363.755  172.312  628.120  201.915 -264.3649 265.4449 
1 1 1  -36   10   44 o  480.351  202.257   5.9221   5.1824   6.1189   6.9228   5.6712   7.8164  479.114  216.470  472.842  219.615 6.272339 308.3664 
1 1 1  -36   11    1 o  354.231  146.890   0.7340   2.6718   6.4533   4.0382  -3.7190   3.5632  611.218  190.473  301.821  142.722 309.3969 238.0111 
1 1 1  -36   11    3 o  591.772  162.134   6.0239   3.0932   0.2595   4.7018   10.422   4.1071  436.828  188.515  774.667  173.615 -337.8382 256.2809 
1 1 1  -36   11    5 o  966.043  114.936   15.252   3.4085   14.585   4.9908   15.835   4.6662  917.997  180.058  966.758  159.721 -48.76056 240.6905 
1 1 1  -36   11    7 f  741.724  166.919   9.4796   3.7831  -0.0000   8.1348   12.096   4.2733  551.657  242.823  839.453  168.430 -287.7964 295.5193 
1 1 1  -36   11    9 o  859.433  150.236   12.452   3.8958   17.049   8.7655   11.320   4.3489  947.193  277.612  808.546  176.710 138.6464 329.0815 
1 1 1  -36   11   11 o  948.561  137.783   14.955   3.9727   16.113   8.9094   14.668   4.4384  920.013  282.299  931.151  157.865 -11.13800 323.4408 
1 1 1  -36   11   13 o  971.456  185.337   16.365   5.4320   14.492   8.8695   17.489   6.8714  875.098  283.466  983.016  227.709 -107.9176 363.5990 
1 1 1  -36   11   15 o  1328.80   96.603   28.402   3.9919   34.116   5.9371   23.688   5.3930  1440.45  133.137  1191.60  147.703 248.8490 198.8507 
1 1 1  -36   11   17 o  588.849  161.573   5.9776   3.0691  -2.4833   5.1033   10.772   3.8415  399.626  182.624  791.903  160.419 -392.2773 243.0757 
1 1 1  -36   11   19 o  1064.58  104.443   18.424   3.4367   20.022   5.2100   17.193   4.5727  1085.98  157.834  1009.18  149.205 76.79822 217.1952 
1 1 1  -36   11   21 o  728.622  136.550   9.0043   3.0009   10.791   4.7995   7.8575   3.8453  773.087  197.536  665.711  180.104 107.3754 267.3158 
1 1 1  -36   11   23 o  364.751  149.944   1.0020   2.7515   3.5600   4.3430  -0.7133   3.5564  505.619  194.587  357.589  158.815 148.0302 251.1698 
1 1 1  -36   11   25 o  446.468  161.364   3.0430   2.8951   5.7183   4.5763   1.2578   3.7382  577.352  203.517  414.623  172.991 162.7287 267.1049 
1 1 1  -36   11   27 o  430.584  163.812   2.5853   3.0556   6.8258   4.6129  -0.7303   4.0789  611.747  204.720  378.312  168.915 233.4354 265.4102 
1 1 1  -36   11   29 o  677.115  176.582   8.4495   3.7828   5.1146   4.7491   14.237   6.2565  549.856  205.298  843.244  230.406 -293.3874 308.6004 
1 1 1  -36   11   31 o  474.448  167.249   3.8206   3.0906   7.4629   4.5028   0.5764   4.2496  622.644  202.003  407.820  177.600 214.8232 268.9733 
1 1 1  -36   11   33 o  783.565  142.940   10.943   3.3779   13.961   5.3387   8.9285   4.3620  836.449  205.348  672.566  195.468 163.8829 283.5060 
1 1 1  -36   11   35 o  752.333  149.229   10.359   3.3913   12.006   5.4013   9.2874   4.3572  750.914  217.303  677.239  194.940 73.67517 291.9291 
1 1 1  -36   11   37 o  566.052  174.170   6.3576   3.3887   3.9334   5.1488   8.2102   4.5010  490.441  203.687  621.306  201.982 -130.8651 286.8538 
1 1 1  -36   11   39 o  345.066  155.046  -0.0848   3.4948  -2.5949   4.3155   4.6981   5.9570  332.107  157.050  504.444  214.819 -172.3373 266.1055 
1 1 1  -36   11   41 o  1382.02  131.987   35.227   5.6422   36.468   6.6535   32.050   10.646  1362.12  158.990  962.912  310.415 399.2044 348.7628 
1 1 1  -36   11   43 o  693.047  199.927   11.599   4.5785   12.195   5.2832   9.8020   9.1757  677.945  218.690  540.967  246.307 136.9784 329.3818 
1 1 1  -36   12    2 o  725.418  146.525   8.9475   3.2137   10.095   4.9776   8.1271   4.2083  751.195  205.617  679.376  190.259 71.81958 280.1375 
1 1 1  -36   12    4 f  485.173  163.616   3.7546   2.9467   4.1785   4.2735   3.3703   4.0686  531.641  195.450  499.276  189.245 32.36478 272.0556 
1 1 1  -36   12    6 o  640.759  176.919   7.1256   3.6664   6.6764   7.7171   7.2566   4.1667  670.002  258.953  645.806  191.969 24.19611 322.3492 
1 1 1  -36   12    8 o  1024.18  128.143   17.279   4.0195   26.356   8.3065   14.503   4.5931  1213.21  227.001  922.210  165.124 290.9999 280.7050 
1 1 1  -36   12   10 o  280.140  133.714  -4.0573   3.2759  -8.7796   6.9320  -2.6994   3.7172  395.567  190.303  328.926  152.307 66.64084 243.7466 
1 1 1  -36   12   12 o  719.914  154.982   8.8611   3.3902   3.0065   5.2971   12.923   4.4123  525.452  210.949  867.572  168.495 -342.1198 269.9818 
1 1 1  -36   12   14 o  574.678  179.542   5.6124   3.5855   6.7494   4.4463   3.4983   6.0630  626.382  200.473  558.373  225.148 68.00958 301.4650 
1 1 1  -36   12   16 o  451.606  159.825   3.0754   2.8250  -0.8971   4.9740   4.9669   3.4323  423.009  187.848  544.857  176.320 -121.8487 257.6344 
1 1 1  -36   12   18 o  511.236  159.868   4.3901   2.8420   6.4530   4.7653   3.2513   3.5406  615.336  208.065  477.908  177.495 137.4271 273.4871 
1 1 1  -36   12   20 o  442.075  167.572   2.6074   3.1902  -0.0332   5.0957   4.3095   4.0911  442.660  193.576  527.763  191.655 -85.10327 272.4034 
1 1 1  -36   12   22 o  623.471  163.883   6.8249   3.2415   4.3446   4.9522   8.6843   4.2877  545.061  208.259  694.295  191.165 -149.2347 282.6938 
1 1 1  -36   12   24 o  1338.34  101.199   29.158   4.2096   40.562   6.2141   19.486   5.7228  1562.53  128.135  1049.01  180.749 513.5166 221.5601 
1 1 1  -36   12   26 o  352.116  151.338   0.2559   3.0059  -1.3051   4.5013   1.5124   4.0384  386.709  174.651  432.025  179.989 -45.31616 250.7965 
1 1 1  -36   12   28 o  1239.41  127.900   25.882   4.8923   22.390   6.3070   31.157   7.7521  1108.38  188.473  1303.65  195.970 -195.2692 271.8936 
1 1 1  -36   12   30 o  1572.00   99.358   40.588   4.8655   36.787   7.1966   43.789   6.6035  1442.09  162.187  1604.39  132.635 -162.2919 209.5151 
1 1 1  -36   12   32 o  490.315  170.723   4.1996   3.2147  -0.3962   4.8283   7.8593   4.3086  407.162  182.643  636.624  196.476 -229.4622 268.2560 
1 1 1  -36   12   34 o  345.877  149.896   0.3617   2.9981   0.9504   4.6068  -0.0708   3.9487  422.032  184.319  376.130  167.184 45.90149 248.8453 
1 1 1  -36   12   36 o  385.708  156.682   1.8245   2.9598  -0.0051   4.4545   3.2707   3.9605  391.460  175.528  458.241  182.952 -66.78036 253.5381 
1 1 1  -36   12   38 o  494.982  186.883   4.6653   3.9578   4.4517   5.0016   5.0232   6.4731  498.228  203.178  525.963  223.957 -27.73529 302.3869 
1 1 1  -36   12   40 f  612.579  199.839   8.4133   4.4046   8.2363   5.0802   8.9490   8.8391  592.589  213.820  581.301  254.557 11.28821 332.4425 
1 1 1  -36   12   42 o  376.262  168.286   0.9357   4.0671  -2.4822   4.6174   12.765   8.5902  335.496  159.752  615.690  259.881 -280.1936 305.0557 
1 1 1  -36   13    1 o  328.985  145.706  -0.7040   2.9733   1.2784   4.5359  -2.1976   3.9372  453.794  190.049  349.287  159.914 104.5070 248.3770 
1 1 1  -36   13    3 o  679.826  177.321   8.0664   3.8140   1.4963   8.1690   9.8977   4.3130  574.857  248.281  750.762  184.727 -175.9052 309.4638 
1 1 1  -36   13    5 o  399.704  164.755   1.1107   3.3330   5.6847   6.4994  -0.5214   3.8824  623.656  238.514  382.502  168.073 241.1540 291.7834 
1 1 1  -36   13    7 o  728.143  172.128   9.1956   3.8626   13.480   7.3470   7.5591   4.5408  851.893  255.294  658.432  201.451 193.4615 325.2036 
1 1 1  -36   13    9 o  475.244  172.162   3.3010   3.2983   8.5208   6.7236   1.6468   3.7850  704.542  246.810  435.566  177.087 268.9759 303.7677 
1 1 1  -36   13   11 o  329.382  144.104  -0.3849   2.8267   1.7764   4.1269  -2.2950   3.8797  452.619  184.566  345.090  158.268 107.5292 243.1319 
1 1 1  -36   13   13 o  1722.52   95.660   47.616   5.1392   48.539   7.5394   46.814   7.0239  1714.67  141.693  1688.37  133.960 26.29919 194.9927 
1 1 1  -36   13   15 o  628.153  209.772   6.7363   4.8432   6.7363   4.8432   0.0000   0.0000  628.153  209.772  ?   ?  0.000000 209.7717 
1 1 1  -36   13   17 o  303.262  137.708  -1.4177   2.8438  -4.5789   4.2415   1.1639   3.8329  324.994  154.275  421.781  175.504 -96.78720 233.6718 
1 1 1  -36   13   19 o  467.508  164.062   3.3891   2.9716   4.3993   4.6819   2.7077   3.8453  544.401  203.727  467.753  182.233 76.64719 273.3385 
1 1 1  -36   13   21 o  1012.53  111.683   16.821   3.4820   22.559   5.4364   12.829   4.5341  1152.26  154.572  854.580  175.320 297.6772 233.7301 
1 1 1  -36   13   23 o  1527.39   99.767   37.833   4.7453   28.768   7.2598   44.594   6.2701  1276.92  187.123  1644.64  122.637 -367.7211 223.7297 
1 1 1  -36   13   25 o  396.507  158.886   1.6400   2.9989   2.9861   4.7269   0.7331   3.8798  496.295  199.261  406.525  173.249 89.77008 264.0463 
1 1 1  -36   13   27 o  552.409  185.012   5.3445   3.7675   4.5313   4.9356   6.4798   5.8318  541.404  207.661  610.832  227.612 -69.42847 308.1075 
1 1 1  -36   13   29 o  794.733  141.892   10.979   3.4014   14.426   4.9107   7.8005   4.7160  887.103  182.865  642.644  206.546 244.4587 275.8638 
1 1 1  -36   13   31 o  559.686  169.112   5.7201   3.2141   4.9466   4.6065   6.4538   4.4868  538.390  201.962  588.079  201.865 -49.68982 285.5489 
1 1 1  -36   13   33 o  658.306  163.546   8.0233   3.3562   8.7955   4.7700   7.2662   4.7231  664.052  207.024  609.435  207.137 54.61603 292.8557 
1 1 1  -36   13   35 o  850.303  164.120   13.434   4.2114   8.7910   7.2512   15.798   5.1734  637.487  249.723  900.960  189.393 -263.4728 313.4192 
1 1 1  -36   13   37 o  484.646  189.101   4.0962   4.1454   3.0689   5.3804   5.5970   6.5029  478.569  203.988  548.354  228.421 -69.78534 306.2473 
1 1 1  -36   13   39 o  643.615  203.114   9.0776   4.5766   10.303   5.5582   6.4969   8.0649  662.109  224.704  557.574  243.686 104.5352 331.4740 
1 1 1  -36   13   41 o  365.036  165.712   0.0259   4.1143  -3.4111   4.6822   11.672   8.6189  330.373  158.276  618.509  260.653 -288.1364 304.9445 
1 1 1  -36   14    2 o  685.520  187.621   8.2538   4.1446   16.259   8.7398   5.9311   4.7077  920.024  279.061  599.514  206.717 320.5098 347.2857 
1 1 1  -36   14    4 o  351.024  155.441  -0.7660   3.3826   9.7148   7.7685  -3.2179   3.7575  745.334  264.902  321.718  150.369 423.6155 304.6048 
1 1 1  -36   14    6 o  668.079  179.088   7.7707   3.8228   1.0167   7.4927   10.148   4.4448  549.240  237.499  760.359  187.797 -211.1194 302.7765 
1 1 1  -36   14    8 o  1599.26  113.163   41.418   5.6303   19.190   10.657   50.024   6.6313  985.354  309.809  1753.97  121.491 -768.6163 332.7783 
1 1 1  -36   14   10 o  984.516  121.096   15.902   3.6544   14.593   5.5098   16.930   4.8830  909.610  198.983  999.550  161.523 -89.94025 256.2890 
1 1 1  -36   14   12 f  403.854  162.379   1.5036   3.1439   0.6114   4.7601   2.1939   4.1870  447.636  191.363  466.818  187.499 -19.18237 267.9094 
1 1 1  -36   14   14 o  1012.63  114.775   16.759   3.5750   15.221   5.2731   18.067   4.8633  933.680  186.886  1035.08  154.807 -101.3998 242.6761 
1 1 1  -36   14   16 o  430.437  164.441   2.3419   3.0873   6.4699   4.5546  -1.1669   4.1991  615.563  203.331  382.768  171.110 232.7950 265.7481 
1 1 1  -36   14   18 o  387.742  157.063   1.3097   2.9651   1.4103   4.6793   1.2422   3.8329  461.141  193.069  423.665  175.830 37.47543 261.1358 
1 1 1  -36   14   20 o  250.355  121.179  -4.4724   2.9174  -1.7690   4.3211  -6.7369   3.9548  374.846  170.034  281.021  137.172 93.82532 218.4672 
1 1 1  -36   14   22 o  379.484  154.736   1.2055   2.9006   2.9019   4.8208   0.2429   3.6314  501.256  201.240  385.492  166.018 115.7644 260.8822 
1 1 1  -36   14   24 o  560.521  173.971   5.4812   3.3727   0.3706   5.5536   8.4673   4.2451  463.616  202.430  683.573  190.968 -219.9568 278.2924 
1 1 1  -36   14   26 o  761.516  156.208   10.159   3.5998   8.6288   5.4417   11.350   4.8003  679.537  222.145  784.872  195.930 -105.3350 296.2046 
1 1 1  -36   14   28 o  671.267  165.528   8.0933   3.4573   8.7943   5.1149   7.5035   4.6913  680.711  214.718  635.909  206.176 44.80157 297.6786 
1 1 1  -36   14   30 o  363.423  154.966   0.5792   3.1072   3.5207   4.7180  -1.6740   4.1292  501.942  199.910  359.233  164.207 142.7095 258.7041 
1 1 1  -36   14   32 o  516.656  172.484   4.7671   3.2744   3.1609   4.9733   5.9962   4.3504  493.095  202.016  569.956  198.593 -76.86121 283.2837 
1 1 1  -36   14   34 f  376.759  171.571  -1.1451   4.4547  -1.2689   6.2812  -1.0199   6.3188  437.217  200.837  442.015  202.448 -4.797424 285.1677 
1 1 1  -36   14   36 o  489.153  188.792   4.0815   4.0974   8.5246   5.1441  -3.6300   6.7769  637.108  216.172  413.741  195.995 223.3671 291.7954 
1 1 1  -36   14   38 o  483.862  191.064   4.0989   4.2757   4.1510   5.0101   3.9592   8.2032  495.086  202.788  532.224  238.452 -37.13824 313.0213 
1 1 1  -36   14   40 f  297.961  140.626  -2.3701   3.4291  -3.3414   4.7821  -1.3420   4.9198  339.341  161.857  372.627  173.456 -33.28571 237.2437 
1 1 1  -36   15    1 o  509.315  188.486   3.7337   3.9857   8.6092   7.9029   2.0706   4.6156  717.638  265.447  478.298  195.130 239.3394 329.4507 
1 1 1  -36   15    3 o  411.119  179.056  -0.1774   4.3207   0.0000   0.0000  -0.1774   4.3207  ?   ?   411.119  179.056 0.000000 179.0558 
1 1 1  -36   15    5 o  344.712  148.505  -0.0154   2.9076  -1.1699   4.5982   0.7538   3.7533  402.789  179.631  408.984  172.161 -6.195404 248.8107 
1 1 1  -36   15    7 o  475.603  167.450   3.4347   3.0971   4.5133   4.7016   2.6079   4.1164  553.870  204.767  477.489  187.814 76.38156 277.8549 
1 1 1  -36   15    9 f  285.130  136.087  -4.1887   3.3919  -2.3411   6.6963  -4.8263   3.9339  467.735  211.970  306.398  146.326 161.3367 257.5704 
1 1 1  -36   15   11 o  691.547  160.969   8.2224   3.4203   12.751   4.9968   4.2302   4.6918  852.311  191.857  544.342  203.895 307.9692 279.9688 
1 1 1  -36   15   13 o  1539.02   99.634   38.100   4.7756   40.566   7.0445   36.003   6.4963  1565.28  145.389  1475.63  142.362 89.65491 203.4817 
1 1 1  -36   15   15 o  435.128  164.442   2.4729   3.0662   7.6300   4.8266  -1.0167   3.9703  660.707  208.598  375.304  167.179 285.4031 267.3232 
1 1 1  -36   15   17 o  1069.94  119.761   18.782   3.9435   19.080   5.9445   18.548   5.2700  1045.40  188.538  1041.58  167.243 3.810791 252.0258 
1 1 1  -36   15   19 o  522.939  166.808   4.5891   3.0803   1.7715   4.8203   6.5340   4.0047  474.993  197.161  612.619  189.480 -137.6266 273.4503 
1 1 1  -36   15   21 f  491.343  176.789   3.6988   3.4701   6.7889   5.4705   1.6182   4.4888  631.067  222.508  457.746  190.153 173.3215 292.6909 
1 1 1  -36   15   23 o  611.872  168.271   6.5864   3.3245   5.3643   5.1591   7.4542   4.3474  579.673  214.461  645.187  197.068 -65.51410 291.2547 
1 1 1  -36   15   25 o  686.260  199.128   8.6122   4.5301  -0.0538   5.8446   21.653   7.1697  464.869  205.164  1079.22  219.635 -614.3494 300.5524 
1 1 1  -36   15   27 o  761.905  150.751   10.114   3.4691   5.4455   5.1743   13.926   4.6757  574.966  214.367  883.237  175.251 -308.2718 276.8860 
1 1 1  -36   15   29 o  445.458  169.780   2.8159   3.2861   2.3416   5.0913   3.1545   4.3022  484.655  202.020  484.602  191.560 0.5270386E-01 278.4013 
1 1 1  -36   15   31 o  544.506  193.043   5.2068   4.1230  -0.5243   5.4671   12.765   6.2783  432.794  194.232  792.325  235.671 -359.5301 305.3959 
1 1 1  -36   15   33 o  956.313  193.157   17.348   5.5848   20.527   7.6645   13.751   8.1546  985.436  248.454  778.876  271.867 206.5600 368.2942 
1 1 1  -36   15   35 o  753.387  193.667   11.152   4.5938   12.431   5.7954   8.9915   7.5352  767.594  225.947  649.638  254.543 117.9562 340.3588 
1 1 1  -36   15   37 o  813.253  159.103   12.316   3.9064   9.5784   5.3763   15.377   5.6858  665.478  220.964  858.124  212.678 -192.6454 306.6873 
1 1 1  -36   16    2 o  310.333  147.046  -4.1406   3.8193  -0.2775   8.6352  -5.0801   4.2584  561.675  248.558  320.077  152.687 241.5984 291.7095 
1 1 1  -36   16    4 o  308.910  141.465  -1.8762   3.0839  -2.1848   4.3487  -1.5639   4.3739  371.677  169.358  384.785  173.121 -13.10797 242.1838 
1 1 1  -36   16    6 o  386.878  163.946   0.4722   3.4403  -2.7781   5.0164   3.3585   4.7272  392.904  180.112  519.806  202.179 -126.9020 270.7705 
1 1 1  -36   16    8 o  880.351  149.271   13.031   3.9678   11.807   5.9180   14.030   5.3478  809.871  225.203  894.325  196.349 -84.45386 298.7795 
1 1 1  -36   16   10 o  438.718  181.474   1.3366   4.0635   12.591   8.6043  -1.8939   4.6100  827.834  279.586  389.687  176.303 438.1474 330.5310 
1 1 1  -36   16   12 o  454.247  174.652   2.5524   3.4965   11.543   5.8772  -2.3729   4.3501  799.984  225.125  368.064  168.357 431.9202 281.1143 
1 1 1  -36   16   14 o  881.659  133.282   12.921   3.5647   16.605   5.3163   9.9111   4.8048  981.114  179.671  747.589  200.937 233.5248 269.5504 
1 1 1  -36   16   16 o  949.899  133.796   14.988   3.8693   17.095   5.6392   13.114   5.3190  989.941  188.814  858.783  201.305 131.1577 275.9972 
1 1 1  -36   16   18 o  804.538  151.632   11.021   3.6798   9.8416   5.3569   12.075   5.0635  738.646  217.176  822.902  198.749 -84.25568 294.3918 
1 1 1  -36   16   20 o  562.621  177.242   5.4040   3.4861   11.401   5.5002   1.3775   4.5070  790.592  216.034  453.610  189.661 336.9814 287.4754 
1 1 1  -36   16   22 o  343.792  152.563  -0.7320   3.2753  -0.3289   4.8227  -1.0771   4.4623  425.398  187.113  394.662  176.412 30.73605 257.1624 
1 1 1  -36   16   24 o  613.364  179.314   6.6549   3.6612   4.3458   5.5820   8.3982   4.8501  558.656  219.031  679.811  208.236 -121.1553 302.2196 
1 1 1  -36   16   26 o  484.024  186.587   3.2174   3.9984   4.5210   5.6745   1.9320   5.6350  561.691  220.645  498.145  210.388 63.54590 304.8726 
1 1 1  -36   16   28 o  838.193  190.964   12.861   4.9002   12.018   6.2543   14.200   7.8856  784.427  235.653  831.686  267.060 -47.25854 356.1646 
1 1 1  -36   16   30 o  466.045  190.005   2.4578   4.3727   7.6428   5.4613  -6.8023   7.2985  639.514  222.529  414.310  198.257 225.2045 298.0349 
1 1 1  -36   16   32 o  619.577  213.087   7.2711   5.0007   12.339   6.6768   0.7963   7.5469  770.249  245.573  513.208  229.410 257.0409 336.0580 
1 1 1  -36   16   34 o  840.769  151.234   12.626   3.8351   11.322   5.7068   13.700   5.1788  741.330  225.642  839.429  199.894 -98.09906 301.4497 
1 1 1  -36   16   36 o  379.875  165.527   0.5297   3.6964   2.4620   5.2024  -1.4403   5.2529  471.693  200.810  398.670  183.327 73.02243 271.9070 
1 1 1  -36   17    1 o  594.557  190.918   5.9569   4.0300   12.420   6.7063   2.3039   5.0419  825.282  243.092  500.659  204.062 324.6234 317.3876 
1 1 1  -36   17    3 o  418.242  168.453   1.5827   3.3898   1.1140   5.0879   1.9568   4.5455  473.692  199.979  474.758  193.659 -1.065521 278.3800 
1 1 1  -36   17    5 o  272.858  127.681  -2.5142   2.7227  -0.2455   5.1217  -3.4079   3.2145  445.398  194.440  287.650  135.880 157.7476 237.2136 
1 1 1  -36   17    7 o  285.276  134.680  -3.3164   3.1496  -3.9552   4.8450  -2.8489   4.1448  366.562  171.134  349.892  161.597 16.67059 235.3726 
1 1 1  -36   17    9 o  924.619  136.073   14.174   3.8218   18.699   5.6290   10.304   5.2055  1046.01  178.252  762.536  210.914 283.4702 276.1492 
1 1 1  -36   17   11 o  459.126  183.655   2.1156   3.9992  -4.4337   8.8420   3.8000   4.4840  513.129  236.649  526.853  198.919 -13.72406 309.1464 
1 1 1  -36   17   13 o  356.188  154.609  -0.1943   3.1997   0.6997   4.7768  -0.9218   4.3093  451.531  192.328  394.984  175.151 56.54620 260.1306 
1 1 1  -36   17   15 o  364.253  157.609  -0.0890   3.3040  -8.6505   4.9008   7.0448   4.4735  309.641  151.474  639.122  200.691 -329.4810 251.4379 
1 1 1  -36   17   17 o  389.389  174.279  -1.2785   4.3700  -6.6893   5.2853   10.414   7.7695  348.853  167.402  762.884  265.422 -414.0310 313.8033 
1 1 1  -36   17   19 o  483.529  172.373   3.5464   3.2917   9.7031   4.8566  -1.6854   4.4769  736.752  203.698  385.633  174.171 351.1194 268.0077 
1 1 1  -36   17   21 o  429.311  174.654   1.6481   3.6847  -2.0722   5.3915   4.9087   5.0475  417.759  189.666  568.917  211.800 -151.1585 284.3104 
1 1 1  -36   17   23 o  437.738  172.765   2.1836   3.4943   4.6827   4.9820  -0.2362   4.9023  558.337  209.917  430.667  189.059 127.6707 282.5038 
1 1 1  -36   17   25 o  539.506  211.421   3.9623   5.1989   3.9623   5.1989   0.0000   0.0000  539.506  211.421  ?   ?  0.000000 211.4205 
1 1 1  -36   17   27 f  657.280  199.234   7.8676   4.4559   8.4893   5.4378   6.5970   7.7740  678.060  222.086  646.436  256.878 31.62427 339.5708 
1 1 1  -36   17   29 o  365.165  167.132  -1.9529   4.2961   0.2845   5.3182  -6.1550   7.2883  449.445  197.118  424.074  201.579 25.37119 281.9388 
1 1 1  -36   17   31 o  897.594  168.336   14.414   4.5574   8.9108   7.7113   17.368   5.6497  681.617  260.012  969.453  192.900 -287.8361 323.7536 
1 1 1  -36   17   33 o  473.158  179.024   3.4711   3.6368   3.4006   5.2726   3.5351   5.0230  508.168  208.077  506.060  204.622 2.108734 291.8330 
1 1 1  -36   18    2 o  1142.09  136.913   21.493   4.7987   13.875   8.1293   25.567   5.9449  866.630  270.279  1237.83  156.901 -371.2048 312.5194 
1 1 1  -36   18    4 f  560.343  184.279   5.1484   3.7426  -1.7177   6.7231   8.2316   4.5052  480.996  215.660  687.744  198.298 -206.7486 292.9692 
1 1 1  -36   18    6 o  959.198  144.538   15.308   4.2064   30.984   7.7071   8.6581   5.0200  1348.89  187.549  704.263  211.021 644.6227 282.3199 
1 1 1  -36   18    8 o  520.930  188.700   3.9927   3.9623   0.2928   5.9531   6.9355   5.3092  489.229  211.622  646.191  219.612 -156.9618 304.9810 
1 1 1  -36   18   10 f  451.701  184.391   1.6674   4.1247   0.5920   6.7732   2.3013   5.2001  523.013  225.984  507.531  207.093 15.48184 306.5226 
1 1 1  -36   18   12 o  371.786  177.160  -6.4701   5.7000   0.0000   0.0000  -6.4701   5.7000  ?   ?   371.786  177.160 0.000000 177.1597 
1 1 1  -36   18   14 o  474.328  187.021   2.5031   4.0910  -0.9083   6.7869   4.4499   5.1271  495.503  219.762  563.195  212.690 -67.69162 305.8309 
1 1 1  -36   18   16 o  389.905  165.199   0.4955   3.4922   1.8520   4.8585  -0.9544   5.0229  482.518  198.906  426.115  189.020 56.40265 274.3941 
1 1 1  -36   18   18 o  707.037  234.187   8.7828   6.0403   6.8194   7.6279   12.084   9.8909  671.666  258.032  816.693  297.784 -145.0267 394.0249 
1 1 1  -36   18   20 o  354.378  157.455  -0.8634   3.4992   3.5704   4.9222  -5.3940   4.9756  528.542  206.104  350.295  166.522 178.2465 264.9688 
1 1 1  -36   18   22 o  335.533  156.108  -3.0311   3.9767  -1.9911   4.6761  -5.7484   7.5587  388.267  176.414  448.784  210.875 -60.51697 274.9365 
1 1 1  -36   18   24 o  635.250  223.810   6.9000   5.5337   6.9000   5.5337   0.0000   0.0000  635.250  223.810  ?   ?  0.000000 223.8102 
1 1 1  -36   18   26 o  558.389  195.421   5.1833   4.2147   5.8231   4.9541   3.5069   8.0193  590.559  211.367  593.991  250.930 -3.432556 328.0887 
1 1 1  -36   18   28 o  408.425  166.442   1.5508   3.3536   0.3064   4.5703   3.0024   4.9362  424.777  184.582  503.193  203.064 -78.41565 274.4180 
1 1 1  -36   18   30 o  318.662  146.443  -1.8732   3.3447  -4.6894   5.1985   0.1161   4.3691  362.406  171.672  409.828  179.231 -47.42188 248.1832 
1 1 1  -36   19    1 o  491.750  161.154   3.8894   2.8632   2.6396   3.7854   5.5603   4.3769  468.900  181.327  585.761  199.398 -116.8602 269.5164 
1 1 1  -36   19    3 o  418.529  167.852   1.6142   3.3500   1.5241   5.5002   1.6674   4.2239  499.731  209.282  456.091  186.436 43.63928 280.2807 
1 1 1  -36   19    5 o  725.029  167.931   9.0039   3.7375   8.5896   5.7270   9.3113   4.9328  705.735  227.694  729.529  206.579 -23.79425 307.4399 
1 1 1  -36   19    7 o  605.846  188.216   6.1917   3.9465   2.6690   7.0056   7.8293   4.7766  572.734  237.706  674.297  206.668 -101.5627 314.9857 
1 1 1  -36   19    9 o  411.864  178.295  -0.0797   4.2322   2.0991   6.9357  -1.3723   5.3421  558.837  234.573  433.929  193.560 124.9081 304.1215 
1 1 1  -36   19   11 o  429.341  177.408   1.2208   3.8775   5.1562   6.7088  -0.7534   4.7516  621.131  241.060  420.258  185.257 200.8726 304.0229 
1 1 1  -36   19   13 o  616.455  201.397   6.3588   4.4729   13.810   7.2215   1.7207   5.6974  870.295  251.095  510.570  213.339 359.7241 329.4882 
1 1 1  -36   19   15 o  508.345  187.668   3.6653   3.9463  -4.0382   6.0325   9.4284   5.2177  418.212  193.783  731.196  214.150 -312.9846 288.8116 
1 1 1  -36   19   17 o  434.954  181.915   1.0599   4.1481  -5.0417   6.9620   4.4182   5.1651  440.495  205.480  562.717  213.242 -122.2217 296.1315 
1 1 1  -36   19   19 o  592.342  212.869   5.5251   5.0296   2.2348   5.7840   15.728   10.185  521.840  216.237  903.237  304.196 -381.3970 373.2204 
1 1 1  -36   19   21 o  378.050  174.715  -3.1374   4.8566  -1.9402   5.5950  -6.7964   9.7816  430.082  194.434  510.615  239.914 -80.53247 308.8096 
1 1 1  -36   19   23 f  678.227  243.510   7.8592   6.5804   7.8592   6.5804   0.0000   0.0000  678.227  243.510  ?   ?  0.000000 243.5099 
1 1 1  -36   19   25 o  1145.22  143.412   22.018   5.0299   31.826   7.9677   15.520   6.4856  1344.88  194.883  913.682  227.553 431.1967 299.5994 
1 1 1  -36   20    8 o  408.553  171.162   0.7696   3.6812   0.0481   5.0431   1.5925   5.3859  450.626  194.851  498.635  207.810 -48.00821 284.8714 
1 1 1  -36   20   10 o  377.231  166.789  -0.8584   3.8799  -3.9379   5.0955   3.3906   5.9853  380.056  176.785  560.846  224.561 -180.7896 285.7977 
1 1 1  -36   20   12 o  590.199  189.383   5.7913   3.9660   3.5701   6.0234   7.4913   5.2695  565.823  225.712  666.040  218.645 -100.2166 314.2476 
1 1 1  -36   20   14 o  577.788  187.299   5.5227   3.8718   5.6955   5.4841   5.3510   5.4669  610.510  221.869  599.787  220.979 10.72333 313.1410 
1 1 1  -36   20   16 o  260.525  128.872  -8.4809   3.8860  -9.7356   4.1274   1.3165   11.533  261.374  129.899  661.399  290.176 -400.0252 317.9245 
1 1 1  -36   20   18 o  483.224  196.750   2.0911   4.6809   1.6216   5.2332   3.9697   10.468  490.920  204.740  674.964  285.999 -184.0436 351.7299 
1 1 1  -35    0    1 f  1257.75  183.869   26.993   6.7888   26.993   6.7888   26.993   6.7888  1257.75  183.869  1257.75  183.869 -0.000000 0.000000 
1 1 1  -35    0    3 o  177.347  126.620  -4.6235   3.1599  -4.6235   3.1599  -4.6235   3.1599  177.347  126.620  177.347  126.620 -0.000000 0.000000 
1 1 1  -35    0    5 f  211.642  145.090  -1.9682   3.0804  -1.9682   3.0804  -1.9682   3.0804  211.642  145.090  211.642  145.090 -0.000000 0.000000 
1 1 1  -35    0    7 o  659.065  219.402   8.9648   4.0326   8.9648   4.0326   8.9648   4.0326  659.065  219.402  659.065  219.402 -0.000000 0.000000 
1 1 1  -35    0    9 o  587.568  231.807   7.6819   4.0993   7.6819   4.0993   7.6819   4.0993  587.568  231.807  587.568  231.807 -0.000000 0.000000 
1 1 1  -35    0   11 o  1052.85  154.218   18.765   4.7649   18.765   4.7649   18.765   4.7649  1052.85  154.218  1052.85  154.218 -0.000000 0.000000 
1 1 1  -35    0   13 f  383.649  212.308   3.3534   3.7349   3.3534   3.7349   3.3534   3.7349  383.649  212.308  383.649  212.308 -0.000000 0.000000 
1 1 1  -35    0   15 o  522.969  232.216   6.4040   4.0187   6.4040   4.0187   6.4040   4.0187  522.969  232.216  522.969  232.216 -0.000000 0.000000 
1 1 1  -35    0   17 o  379.167  213.272   3.1976   3.8429   3.1976   3.8429   3.1976   3.8429  379.167  213.272  379.167  213.272 -0.000000 0.000000 
1 1 1  -35    0   19 o  600.050  228.899   7.8868   4.0519   7.8868   4.0519   7.8868   4.0519  600.050  228.899  600.050  228.899 -0.000000 0.000000 
1 1 1  -35    0   21 o  1290.10  134.968   27.314   5.3156   27.314   5.3156   27.314   5.3156  1290.10  134.968  1290.10  134.968 -0.000000 0.000000 
1 1 1  -35    0   23 o  500.917  227.868   5.9249   3.8717   5.9249   3.8717   5.9249   3.8717  500.917  227.868  500.917  227.868 -0.000000 0.000000 
1 1 1  -35    0   25 o  3960.28  157.351  252.403   19.442  252.403   19.442  252.403   19.442  3960.28  157.351  3960.28  157.351 -0.000000 0.000000 
1 1 1  -35    0   27 o  1199.56  238.758   26.021   7.9633   26.021   7.9633   26.021   7.9633  1199.56  238.758  1199.56  238.758 -0.000000 0.000000 
1 1 1  -35    0   29 o  1897.25  180.156   59.687   10.481   59.687   10.481   59.687   10.481  1897.25  180.156  1897.25  180.156 -0.000000 0.000000 
1 1 1  -35    0   31 o  827.219  287.397   14.804   6.7222   14.804   6.7222   14.804   6.7222  827.219  287.397  827.219  287.397 -0.000000 0.000000 
1 1 1  -35    0   33 o  935.436  287.768   18.180   7.3722   18.180   7.3722   18.180   7.3722  935.436  287.768  935.436  287.768 -0.000000 0.000000 
1 1 1  -35    0   35 o  1521.35  188.553   39.566   8.6111   39.566   8.6111   39.566   8.6111  1521.35  188.553  1521.35  188.553 -0.000000 0.000000 
1 1 1  -35    0   37 o  391.067  235.455   3.0288   5.2306   3.0288   5.2306   3.0288   5.2306  391.067  235.455  391.067  235.455 -0.000000 0.000000 
1 1 1  -35    0   39 o  1593.14  134.387   41.806   6.5942   41.806   6.5942   41.806   6.5942  1593.14  134.387  1593.14  134.387 -0.000000 0.000000 
1 1 1  -35    0   41 o  432.619  232.971   4.7377   4.3724   4.7377   4.3724   4.7377   4.3724  432.619  232.971  432.619  232.971 -0.000000 0.000000 
1 1 1  -35    0   43 o  1410.89  203.602   35.396   8.4504   35.396   8.4504   35.396   8.4504  1410.89  203.602  1410.89  203.602 -0.000000 0.000000 
1 1 1  -35    0   45 o  810.802  226.341   13.285   4.9719   13.285   4.9719   13.285   4.9719  810.802  226.341  810.802  226.341 -0.000000 0.000000 
1 1 1  -35    0   47 o  1869.11  131.505   57.649   7.6090   57.649   7.6090   57.649   7.6090  1869.11  131.505  1869.11  131.505 -0.000000 0.000000 
1 1 1  -35    0   49 f  216.519  151.067  -3.0898   3.7272  -3.0898   3.7272  -3.0898   3.7272  216.519  151.067  216.519  151.067 -0.000000 0.000000 
1 1 1  -35    0   51 o  310.429  192.945   1.5528   3.7727   1.5528   3.7727   1.5528   3.7727  310.429  192.945  310.429  192.945 -0.000000 0.000000 
1 1 1  -35    1    2 o  758.834  143.548   9.6288   3.2859   9.2867   4.1457   10.207   5.3891  734.663  181.318  763.607  215.817 -28.94342 281.8740 
1 1 1  -35    1    4 o  485.314  168.553   3.5677   3.1326  -3.1733   4.6390   9.2181   4.2472  371.092  171.238  731.454  185.240 -360.3615 252.2624 
1 1 1  -35    1    6 o  495.268  153.886   4.0088   2.6381   7.2508   3.8380   1.1056   3.6320  651.315  181.447  416.573  171.880 234.7410 249.9315 
1 1 1  -35    1    8 o  566.160  147.583   5.4050   2.6431   4.6532   3.7317   6.1617   3.7441  542.829  184.121  604.716  182.477 -61.88739 259.2269 
1 1 1  -35    1   10 o  748.725  131.748   9.2960   2.9760   18.526   4.0603  -1.4182   4.3745  1066.38  123.910  390.313  174.554 676.0618 214.0623 
1 1 1  -35    1   12 o  488.747  157.908   3.8450   2.7537   2.2190   3.8801   5.4952   3.9087  460.229  181.922  578.410  188.234 -118.1807 261.7776 
1 1 1  -35    1   14 o  351.254  140.902   1.0520   2.3612   1.8022   3.3174   0.2818   3.3616  423.905  168.008  379.174  161.421 44.73132 232.9877 
1 1 1  -35    1   16 o  551.010  156.326   5.1241   2.8220   8.2535   4.1166   2.3497   3.8761  690.502  186.156  463.272  182.239 227.2302 260.5094 
1 1 1  -35    1   18 o  1464.61   91.077   34.286   4.1562   32.221   5.7785   36.499   5.9821  1403.45  133.084  1496.32  128.937 -92.86707 185.3001 
1 1 1  -35    1   20 o  2036.08   89.181   66.029   5.6857   74.487   7.9947   57.374   8.0878  2145.07  119.501  1870.80  139.059 274.2686 183.3520 
1 1 1  -35    1   22 o  558.120  153.113   5.3094   2.7564   7.5840   3.8904   3.0165   3.9060  659.979  182.250  483.402  184.896 176.5768 259.6187 
1 1 1  -35    1   24 o  885.352  114.706   12.863   3.1052   12.766   4.3490   12.963   4.4351  861.172  167.309  867.021  169.439 -5.849243 238.1219 
1 1 1  -35    1   26 o  2239.38  104.190   80.853   7.3058   69.246   12.813   86.445   8.8932  1979.69  209.895  2298.82  124.007 -319.1362 243.7900 
1 1 1  -35    1   28 o  1726.48  137.445   49.642   7.3688   48.738   10.804   50.429   10.076  1642.86  215.191  1692.21  193.655 -49.34814 289.4985 
1 1 1  -35    1   30 o  381.745  168.942  -0.4816   3.9897  -2.1537   6.5895   0.4862   5.0130  453.105  207.238  444.279  193.186 8.825653 283.3164 
1 1 1  -35    1   32 o  399.570  173.309   0.4316   4.0144   4.1182   5.6978  -3.2023   5.6570  539.689  218.035  398.265  185.594 141.4240 286.3288 
1 1 1  -35    1   34 o  1296.06  140.253   29.258   5.6011   24.310   7.6430   34.997   8.2319  1091.84  230.778  1352.71  200.412 -260.8672 305.6526 
1 1 1  -35    1   36 o  1081.67  121.058   20.239   4.0299   22.178   4.9135   16.255   7.0435  1111.33  144.627  837.253  249.753 274.0743 288.6064 
1 1 1  -35    1   38 o  1405.91  111.860   34.189   4.8836   26.941   8.0864   38.350   6.1272  1068.31  246.715  1457.64  135.808 -389.3247 281.6246 
1 1 1  -35    1   40 o  241.287  116.368  -3.0889   2.6322   0.0265   3.6051  -6.6458   3.8521  346.514  156.417  258.975  128.142 87.53821 202.2047 
1 1 1  -35    1   42 o  1619.24   91.443   45.150   4.6174   48.933   6.5413   41.393   6.5188  1612.32  130.692  1455.18  144.997 157.1464 195.2041 
1 1 1  -35    1   44 o  1735.54  114.526   55.940   6.1888   57.040   7.6052   53.784   10.648  1671.69  146.776  1323.04  266.255 348.6486 304.0313 
1 1 1  -35    1   46 o  478.576  164.589   5.6388   2.9835   6.5224   4.5779   4.9865   3.9335  466.857  192.826  434.561  179.035 32.29581 263.1264 
1 1 1  -35    1   48 o  854.304  130.890   15.409   3.3898   15.037   4.9697   15.734   4.6355  675.011  211.456  736.382  197.129 -61.37097 289.0909 
1 1 1  -35    1   50 o  1218.12  107.515   29.907   4.0588   38.664   6.0377   22.688   5.4824  1235.31  159.840  816.958  212.355 418.3557 265.7882 
1 1 1  -35    1   52 o  1604.33  105.146   53.910   5.2528   54.153   7.6985   53.697   7.1853  1254.91  202.838  1338.94  175.618 -84.02625 268.3000 
1 1 1  -35    2    1 o  358.013  150.692   0.4262   2.8751   3.2948   3.6544  -4.2341   4.6578  489.021  180.581  354.822  166.342 134.1992 245.5184 
1 1 1  -35    2    3 o  930.734  142.996   14.346   4.0341   11.982   5.5213   17.053   5.9086  826.710  212.212  995.150  196.590 -168.4403 289.2777 
1 1 1  -35    2    5 o  302.664  136.376  -1.2368   2.7261  -1.5935   3.5828  -0.7464   4.2011  345.797  156.028  396.419  174.496 -50.62241 234.0808 
1 1 1  -35    2    7 o  418.618  151.206   2.4463   2.5415   5.3546   3.5910  -0.4725   3.5975  569.410  179.943  372.402  162.755 197.0080 242.6288 
1 1 1  -35    2    9 o  747.044  129.739   9.2369   2.9247   9.5599   4.2331   8.9419   4.0456  745.287  182.785  721.449  179.745 23.83850 256.3569 
1 1 1  -35    2   11 o  720.642  133.260   8.6372   2.8963   10.091   3.9887   7.0157   4.2123  769.007  170.154  642.109  193.505 126.8983 257.6750 
1 1 1  -35    2   13 o  731.451  135.098   8.9113   2.9802   8.9527   4.1116   8.8654   4.3259  720.537  182.143  715.713  189.895 4.824280 263.1272 
1 1 1  -35    2   15 o  1479.46   88.553   34.908   4.0834   40.141   5.7888   29.725   5.7610  1575.94  118.170  1346.73  138.593 229.2065 182.1322 
1 1 1  -35    2   17 o  860.612  120.370   12.142   3.1550   13.911   4.4408   10.340   4.4831  907.175  162.292  771.464  187.434 135.7108 247.9320 
1 1 1  -35    2   19 o  657.956  146.564   7.3384   2.9422   7.3304   4.1955   7.3462   4.1270  651.506  192.379  652.054  190.311 -0.5484009 270.6069 
1 1 1  -35    2   21 o  323.131  139.510  -0.0989   2.5773   4.2314   3.7931  -3.8129   3.5128  524.102  185.227  298.364  141.273 225.7375 232.9529 
1 1 1  -35    2   23 f  1893.09   87.868   57.145   5.2086   55.229   7.5323   58.902   7.2104  1836.22  131.882  1902.76  121.657 -66.53674 179.4253 
1 1 1  -35    2   25 o  2792.23  110.229  125.933   9.6375  125.656   17.063  126.063   11.679  2685.04  204.486  2772.91  134.506 -87.87280 244.7579 
1 1 1  -35    2   27 o  568.978  191.896   5.4667   4.0533   6.3051   6.1372   4.8181   5.3982  625.001  233.376  570.480  217.564 54.52057 319.0587 
1 1 1  -35    2   29 o  952.186  175.775   16.000   5.0477   14.919   7.1068   17.100   7.1708  873.628  248.157  940.491  242.073 -66.86298 346.6714 
1 1 1  -35    2   31 o  868.804  174.705   13.568   4.5880   9.1096   6.7646   17.366   6.2435  688.716  246.936  957.154  213.723 -268.4386 326.5803 
1 1 1  -35    2   33 o  526.190  195.406   4.7078   4.2911   2.6673   6.0320   6.7983   6.1055  507.772  216.201  607.184  231.423 -99.41162 316.7011 
1 1 1  -35    2   35 o  1187.68  116.829   24.031   4.2886   27.514   5.2911   17.361   7.3222  1253.04  137.089  877.484  252.743 375.5565 287.5288 
1 1 1  -35    2   37 o  691.362  164.920   9.2223   3.5203   8.6881   4.1456   10.603   6.6653  649.193  191.101  664.808  244.140 -15.61511 310.0385 
1 1 1  -35    2   39 o  2117.72   91.827   75.445   6.0891   76.101   8.6261   74.793   8.5967  2042.51  135.647  2023.02  136.509 19.49561 192.4445 
1 1 1  -35    2   41 o  511.896  156.464   5.3769   2.7399   3.5812   3.8879   7.1487   3.8619  437.892  178.918  560.739  187.317 -122.8463 259.0354 
1 1 1  -35    2   43 o  887.392  124.910   14.893   3.3748   17.568   4.8451   12.372   4.7033  887.568  180.481  701.658  202.699 185.9093 271.4044 
1 1 1  -35    2   45 o  1013.88  129.567   20.310   4.0193   18.740   4.9740   23.265   6.8229  883.554  185.684  859.847  242.770 23.70697 305.6400 
1 1 1  -35    2   47 o  980.795  122.224   19.252   3.6722   18.037   5.1048   20.555   5.2864  799.341  203.441  870.973  198.286 -71.63226 284.0871 
1 1 1  -35    2   49 o  321.329  145.485   1.6799   3.1460  -2.0680   4.6196   4.9214   4.2962  293.826  144.417  393.125  174.579 -99.29956 226.5698 
1 1 1  -35    2   51 o  1514.59  127.602   51.846   5.9952   56.220   7.7038   45.128   9.5466  1379.98  182.783  742.877  287.767 637.0994 340.9099 
1 1 1  -35    3    2 o  777.679  164.679   10.266   3.8852   11.684   5.6032   8.9531   5.3920  815.340  216.018  719.403  219.411 95.93713 307.9043 
1 1 1  -35    3    4 o  506.246  163.064   4.1353   2.9381   5.8967   3.6950   1.1062   4.8454  593.432  181.750  467.959  196.226 125.4730 267.4653 
1 1 1  -35    3    6 o  929.621  128.531   14.161   3.6413   16.330   4.6682   10.790   5.8190  989.946  155.742  784.156  225.153 205.7894 273.7691 
1 1 1  -35    3    8 o  306.638  133.714  -0.3510   2.4161  -0.1914   3.4746  -0.5004   3.3620  373.109  161.534  359.137  157.138 13.97177 225.3569 
1 1 1  -35    3   10 o  1108.30  104.438   19.769   3.5816   19.952   5.0986   19.591   5.0324  1097.09  152.548  1087.18  151.983 9.919189 215.3359 
1 1 1  -35    3   12 o  1583.24   88.313   39.924   4.3607   33.537   6.0466   46.845   6.2947  1433.56  136.347  1704.08  118.711 -270.5222 180.7838 
1 1 1  -35    3   14 o  489.210  156.950   3.8675   2.7240   0.8288   3.7552   7.2424   3.9575  413.674  173.056  650.003  185.374 -236.3299 253.5974 
1 1 1  -35    3   16 o  486.802  153.512   3.8639   2.6146   3.4646   3.8581   4.2030   3.5556  500.263  185.383  520.129  179.635 -19.86606 258.1387 
1 1 1  -35    3   18 o  874.311  119.807   12.524   3.1937   19.207   4.7356   6.9488   4.3253  1076.79  144.061  637.766  196.861 439.0261 243.9426 
1 1 1  -35    3   20 o  1403.70   91.398   31.528   3.9953   39.440   6.0025   25.234   5.3535  1557.13  124.141  1236.56  140.773 320.5731 187.6911 
1 1 1  -35    3   22 o  2593.33   91.768  107.328   7.4519  104.927   10.612  109.663   10.467  2533.87  134.225  2597.71  128.680 -63.84473 185.9428 
1 1 1  -35    3   24 o  549.354  170.437   5.1075   3.2374   10.463   6.0499   2.9586   3.8323  758.952  232.584  477.799  183.050 281.1531 295.9770 
1 1 1  -35    3   26 o  2421.55  131.691   96.421   9.9479   94.169   14.211   98.584   13.930  2325.94  196.975  2391.19  187.549 -65.24731 271.9812 
1 1 1  -35    3   28 o  1466.84  132.425   35.759   6.0167   45.334   8.7982   27.347   8.2464  1618.31  176.487  1218.07  224.480 400.2363 285.5503 
1 1 1  -35    3   30 o  949.997  174.116   16.021   4.9885   10.403   7.0253   21.734   7.0847  731.510  252.510  1077.10  217.554 -345.5913 333.3027 
1 1 1  -35    3   32 o  2080.25  131.042   73.076   8.4922   67.680   12.167   78.201   11.858  1901.81  207.693  2081.21  183.857 -179.3986 277.3800 
1 1 1  -35    3   34 o  342.022  150.923  -0.1550   3.1614   2.2374   3.7395  -6.1497   5.9192  431.149  175.736  364.033  175.307 67.11655 248.2248 
1 1 1  -35    3   36 f  367.514  156.094   1.0285   3.1301  -1.2197   3.8849   5.1881   5.2844  346.409  158.690  532.707  211.756 -186.2976 264.6185 
1 1 1  -35    3   38 o  435.350  159.088   3.3967   2.8252   3.7095   4.0327   3.0952   3.9592  462.525  184.630  443.197  180.756 19.32852 258.3810 
1 1 1  -35    3   40 o  1494.36   94.134   38.069   4.3822   35.320   6.2427   40.739   6.1531  1359.79  149.059  1486.76  133.597 -126.9674 200.1666 
1 1 1  -35    3   42 o  1203.11  104.799   25.665   3.9086   31.800   5.6838   20.162   5.3836  1275.82  144.842  955.493  186.635 320.3282 236.2453 
1 1 1  -35    3   44 o  413.754  157.270   3.6147   2.8149   8.7379   4.1430  -0.7783   3.8364  579.481  194.013  321.388  150.763 258.0929 245.7038 
1 1 1  -35    3   46 o  520.553  184.501   7.4244   3.7660   8.6339   4.3897   4.0522   7.3296  536.494  197.955  415.988  198.959 120.5064 280.6616 
1 1 1  -35    3   48 o  1968.98   96.683   72.087   5.9609   77.872   8.3970   66.211   8.4633  1873.34  144.260  1653.82  165.658 219.5195 219.6667 
1 1 1  -35    3   50 o  408.418  164.072   5.1881   3.2067   8.9091   4.9820   2.5559   4.1902  446.123  193.284  337.744  158.156 108.3784 249.7443 
1 1 1  -35    4    1 o  801.894  162.574   10.890   3.9424   10.926   5.6270   10.855   5.5252  788.076  219.758  785.961  217.253 2.114441 309.0181 
1 1 1  -35    4    3 o  933.882  120.847   14.221   3.4509   12.764   4.2438   17.065   5.9293  870.723  161.601  995.618  197.167 -124.8951 254.9311 
1 1 1  -35    4    5 o  383.503  154.161   1.2455   2.8330  -0.6764   3.6806   4.0393   4.4377  371.976  163.543  537.773  198.914 -165.7969 257.5128 
1 1 1  -35    4    7 o  777.636  146.468   10.109   3.4356   10.818   4.4430   9.0545   5.4182  794.009  182.525  724.099  219.742 69.91034 285.6608 
1 1 1  -35    4    9 o  1141.35   95.652   20.861   3.3870   19.888   4.9470   21.719   4.6468  1097.56  147.695  1153.86  130.931 -56.29785 197.3751 
1 1 1  -35    4   11 o  1403.84   88.607   31.406   3.8750   36.468   5.8005   27.326   5.2075  1500.83  124.554  1295.77  130.102 205.0521 180.1118 
1 1 1  -35    4   13 f  1037.21   99.141   17.293   3.1806   10.967   4.5695   23.239   4.4300  797.342  186.368  1197.23  119.777 -399.8853 221.5394 
1 1 1  -35    4   15 o  1106.55  117.487   19.872   4.0085   22.334   7.8299   18.997   4.6664  1123.30  230.342  1072.92  142.417 50.38550 270.8139 
1 1 1  -35    4   17 o  1535.92   88.907   37.627   4.2576   37.390   6.2142   37.838   5.8450  1514.31  132.385  1527.41  123.260 -13.10559 180.8833 
1 1 1  -35    4   19 o  832.149  127.320   11.433   3.2120   14.462   4.5855   8.5162   4.5007  923.873  164.542  698.934  197.116 224.9382 256.7662 
1 1 1  -35    4   21 o  2055.12   89.355   67.286   5.7500   67.203   8.1516   67.368   8.1121  2031.43  128.818  2034.43  127.995 -2.996582 181.5956 
1 1 1  -35    4   23 o  774.353  178.924   10.451   4.2512   0.0000   0.0000   10.451   4.2512  ?   ?   774.353  178.924 0.000000 178.9241 
1 1 1  -35    4   25 o  2545.22  134.089  106.427   10.649  114.960   15.432   98.672   14.713  2583.10  192.173  2384.76  198.844 198.3367 276.5306 
1 1 1  -35    4   27 o  715.400  195.923   9.2183   4.5179   12.457   7.2825   7.1921   5.7603  806.787  256.391  645.654  228.253 161.1330 343.2725 
1 1 1  -35    4   29 o  1118.71  158.511   21.560   5.3972   22.204   8.3030   21.089   7.1025  1065.02  252.769  1063.29  220.557 1.728760 335.4665 
1 1 1  -35    4   31 o  1419.03  146.421   34.525   6.4125   40.090   9.2975   29.477   8.8559  1469.73  207.823  1227.28  239.042 242.4445 316.7514 
1 1 1  -35    4   33 o  716.865  161.931   9.3595   3.5490   7.4128   4.4893   12.604   5.7953  621.316  201.707  788.116  224.172 -166.8000 301.5605 
1 1 1  -35    4   35 o  853.115  137.660   12.899   3.5522   18.009   4.6148   5.4708   5.5645  998.179  152.485  549.947  217.709 448.2321 265.7987 
1 1 1  -35    4   37 o  744.766  164.677   10.663   3.7383   9.0635   4.7775   13.189   6.0039  647.926  207.850  757.010  231.649 -109.0843 311.2283 
1 1 1  -35    4   39 o  770.820  134.582   10.957   3.1301   6.1132   4.6951   14.832   4.1996  531.727  202.873  874.346  159.261 -342.6188 257.9175 
1 1 1  -35    4   41 o  1167.17  117.785   24.585   4.2458   33.747   8.2650   21.301   4.9487  1170.87  233.620  1035.47  157.600 135.3995 281.8088 
1 1 1  -35    4   43 o  1413.01   99.403   35.269   4.3701   41.041   6.6372   30.852   5.8062  1424.96  151.055  1229.67  154.186 195.2942 215.8494 
1 1 1  -35    4   45 o  568.815  168.584   7.6289   3.2169   10.096   4.4574   4.9472   4.6475  601.135  201.241  441.640  188.949 159.4951 276.0430 
1 1 1  -35    4   47 o  375.745  164.122   3.0263   3.6534   3.1467   4.5013   2.7938   6.2540  382.730  173.585  386.911  184.698 -4.181305 253.4666 
1 1 1  -35    4   49 o  1753.16  102.418   59.274   5.5979   55.136   7.9628   63.318   7.8712  1438.31  180.802  1622.32  156.908 -184.0106 239.3937 
1 1 1  -35    4   51 o  1796.44  100.511   64.348   5.6312   58.551   7.7067   70.988   8.2483  1440.41  174.426  1623.15  164.564 -182.7430 239.8034 
1 1 1  -35    5    2 o  590.663  159.046   5.9058   3.0070   5.4151   3.7125   6.8417   5.1275  573.291  183.153  644.506  215.837 -71.21545 283.0736 
1 1 1  -35    5    4 o  618.850  161.390   6.4961   3.1598   5.9593   3.9836   7.4068   5.1890  599.054  189.548  665.277  216.899 -66.22302 288.0512 
1 1 1  -35    5    6 o  1307.78   94.762   27.327   3.8541   25.881   5.6206   28.610   5.2951  1255.46  145.683  1327.16  129.052 -71.69653 194.6227 
1 1 1  -35    5    8 o  440.438  162.372   2.6070   2.9523  -0.7006   3.7542   7.9677   4.7794  375.357  165.096  682.767  206.201 -307.4107 264.1506 
1 1 1  -35    5   10 o  545.666  148.889   5.0006   2.6147   4.8483   3.8927   5.1258   3.5295  554.041  188.050  559.280  178.571 -5.239502 259.3269 
1 1 1  -35    5   12 o  560.210  153.096   5.2856   2.7621   7.9347   4.1041   3.0924   3.7343  679.768  186.972  484.806  181.844 194.9615 260.8174 
1 1 1  -35    5   14 o  759.869  121.065   9.4920   2.7839   12.041   4.2319   7.5477   3.6962  842.987  166.232  663.908  175.236 179.0792 241.5388 
1 1 1  -35    5   16 o  1489.39   88.442   35.364   4.1061   32.944   5.8617   37.696   5.7537  1421.20  133.278  1526.05  121.413 -104.8505 180.2891 
1 1 1  -35    5   18 f  314.333  135.332  -0.0725   2.4116   1.3117   3.6328  -1.1631   3.2246  421.493  172.667  334.251  149.646 87.24188 228.4904 
1 1 1  -35    5   20 f  1389.53   94.685   30.935   4.0951   34.021   5.8392   27.948   5.7447  1443.07  130.642  1301.32  143.363 141.7517 193.9595 
1 1 1  -35    5   22 o  652.050  170.820   7.3514   3.5294   9.7373   7.1110   6.5716   4.0656  743.627  254.154  618.847  190.833 124.7796 317.8224 
1 1 1  -35    5   24 o  510.615  190.926   3.6968   4.1103   4.4687   6.5785   3.2024   5.2645  593.303  236.133  528.083  210.901 65.21967 316.6032 
1 1 1  -35    5   26 o  498.619  191.437   3.3390   4.1971  -0.0000   6.7112   5.4837   5.3787  500.985  220.537  591.227  218.929 -90.24207 310.7510 
1 1 1  -35    5   28 o  529.018  194.202   4.3611   4.2169   7.8360   6.8799   2.2702   5.3369  670.116  247.710  499.049  207.327 171.0671 323.0249 
1 1 1  -35    5   30 o  589.314  170.392   6.2126   3.3223   7.9281   4.4659   4.0867   4.9714  654.866  199.671  530.130  207.020 124.7366 287.6204 
1 1 1  -35    5   32 o  936.994  133.304   15.075   3.8008   14.575   4.9792   15.772   5.8836  886.543  185.334  901.901  211.926 -15.35803 281.5340 
1 1 1  -35    5   34 o  601.197  171.286   6.8039   3.3806   3.5741   4.2228   12.568   5.6412  482.283  190.057  779.640  220.967 -297.3564 291.4582 
1 1 1  -35    5   36 o  611.115  177.538   7.3444   3.5991   5.7523   4.6153   9.8151   5.7493  543.354  202.481  664.960  228.493 -121.6061 305.2991 
1 1 1  -35    5   38 o  517.201  161.431   5.2287   2.8994   5.0304   4.1961   5.4098   4.0108  505.121  192.013  517.615  189.491 -12.49432 269.7700 
1 1 1  -35    5   40 o  1258.70  147.520   30.141   5.7039   0.0000   0.0000   30.141   5.7039  ?   ?   1258.70  147.520 0.000000 147.5199 
1 1 1  -35    5   42 o  948.538  118.734   16.488   3.4493   20.014   5.2226   13.761   4.5937  963.732  179.677  779.373  189.964 184.3593 261.4766 
1 1 1  -35    5   44 o  1390.54  103.875   34.854   4.4902   33.129   6.5949   36.345   6.1307  1215.07  178.671  1331.81  149.598 -116.7336 233.0299 
1 1 1  -35    5   46 o  573.714  173.913   8.1835   3.3952   11.050   4.9156   5.5684   4.6950  594.062  210.764  445.868  190.314 148.1944 283.9731 
1 1 1  -35    5   48 o  1827.24   98.586   62.367   5.6198   66.537   7.8064   57.880   8.0966  1733.08  145.189  1532.81  171.639 200.2719 224.8108 
1 1 1  -35    5   50 o  864.036  146.176   17.605   3.8138   18.653   5.3747   16.542   5.4124  699.395  220.038  625.239  221.229 74.15613 312.0235 
1 1 1  -35    6    1 o  1303.49  135.716   27.771   5.4581   32.483   8.7317   24.749   6.9926  1373.80  209.620  1205.11  191.731 168.6897 284.0797 
1 1 1  -35    6    3 o  953.594  128.050   14.886   3.7269   17.844   4.6137   9.3314   6.3223  1039.28  145.788  737.187  239.370 302.0878 280.2716 
1 1 1  -35    6    5 o  927.187  111.120   13.928   3.1618   16.846   4.8189   11.723   4.1898  1005.20  158.339  832.478  166.549 172.7176 229.8043 
1 1 1  -35    6    7 o  1514.62   89.018   36.523   4.2033   37.185   5.8949   35.838   5.9951  1516.19  125.288  1486.44  130.115 29.75232 180.6296 
1 1 1  -35    6    9 o  650.599  156.489   7.1657   3.1490   2.5038   3.9123   15.743   5.3067  471.673  183.799  961.977  182.859 -490.3040 259.2673 
1 1 1  -35    6   11 o  1796.25   87.411   51.185   4.9164   50.207   7.0926   52.090   6.8210  1760.93  129.541  1797.16  121.933 -36.22974 177.9002 
1 1 1  -35    6   13 o  349.178  143.859   0.7164   2.5397  -5.0162   3.6651   6.0116   3.5225  290.269  139.320  597.076  176.266 -306.8068 224.6770 
1 1 1  -35    6   15 o  462.160  150.864   3.3933   2.5101   5.2209   3.7422   1.8985   3.3844  565.368  184.189  430.456  169.982 134.9119 250.6385 
1 1 1  -35    6   17 o  416.113  151.572   2.3878   2.5616   1.3095   3.7060   3.3742   3.5447  425.060  174.293  488.110  178.224 -63.04980 249.2826 
1 1 1  -35    6   19 o  922.270  137.130   14.088   3.8396   10.329   4.8253   20.576   6.3396  767.731  199.059  1093.39  192.183 -325.6606 276.6922 
1 1 1  -35    6   21 o  1036.67  162.117   18.133   5.0901   18.816   7.8144   17.630   6.7085  1012.42  248.373  993.370  221.336 19.05042 332.6842 
1 1 1  -35    6   23 o  718.023  194.970   9.1019   4.4965   12.515   7.2162   6.9357   5.7491  822.594  254.338  646.588  228.089 176.0054 341.6322 
1 1 1  -35    6   25 o  1248.28  144.434   26.019   5.5412   25.242   8.5595   26.579   7.2702  1167.82  242.027  1231.98  194.951 -64.15869 310.7780 
1 1 1  -35    6   27 o  420.245  176.646   1.0397   3.9421   6.1417   6.4319  -2.0301   4.9891  623.122  237.520  399.047  181.663 224.0744 299.0269 
1 1 1  -35    6   29 o  1119.76  120.903   20.849   4.1719   23.062   5.2912   17.212   6.7826  1161.58  148.903  946.833  230.857 214.7447 274.7131 
1 1 1  -35    6   31 o  1114.09  123.185   20.883   4.2254   18.468   5.3276   24.979   6.9375  1013.52  174.149  1161.37  197.865 -147.8448 263.5880 
1 1 1  -35    6   33 o  1105.27  129.257   20.963   4.3890   22.411   5.6322   18.726   7.0032  1112.72  166.791  950.801  236.267 161.9160 289.2085 
1 1 1  -35    6   35 o  1084.61  123.720   20.336   4.1266   22.128   5.1574   17.147   6.8794  1105.70  153.068  879.583  242.129 226.1218 286.4545 
1 1 1  -35    6   37 o  974.612  119.562   16.601   3.5722   11.217   5.3493   20.936   4.7991  709.195  218.931  1068.63  147.341 -359.4318 263.8940 
1 1 1  -35    6   39 o  1485.01  109.908   38.321   5.0743   51.940   9.2497   32.458   6.0691  1586.22  190.011  1311.90  150.464 274.3158 242.3705 
1 1 1  -35    6   41 o  1256.51  117.472   28.411   4.5682   18.905   8.4639   32.318   5.4265  750.292  275.179  1316.47  133.487 -566.1754 305.8465 
1 1 1  -35    6   43 o  1179.02  112.651   25.308   4.1082   22.011   5.7999   28.629   5.8200  972.373  197.236  1171.83  163.029 -199.4601 255.8917 
1 1 1  -35    6   45 o  613.634  169.347   8.7349   3.3603   10.923   4.8447   6.7068   4.6647  613.934  209.781  489.216  197.407 124.7184 288.0586 
1 1 1  -35    6   47 o  569.575  180.075   8.6442   3.5960   9.8482   5.1933   7.5354   4.9840  528.581  209.984  476.035  199.276 52.54611 289.4897 
1 1 1  -35    6   49 o  1229.30  112.677   30.173   4.2890   28.156   6.1775   32.051   5.9594  961.909  210.908  1112.50  177.004 -150.5917 275.3415 
1 1 1  -35    7    2 o  650.393  186.152   7.2366   3.9835   4.8703   6.6608   8.5541   4.9702  616.071  239.890  703.659  209.776 -87.58783 318.6741 
1 1 1  -35    7    4 o  1128.07  103.041   20.453   3.5995   17.470   5.1875   23.222   4.9987  1019.84  168.318  1191.60  136.428 -171.7689 216.6645 
1 1 1  -35    7    6 o  1032.81  102.980   17.162   3.2860   18.169   4.8150   16.284   4.4955  1047.49  151.178  991.311  149.472 56.17572 212.5950 
1 1 1  -35    7    8 o  837.748  120.643   11.471   3.0734   15.210   4.4730   8.1279   4.2302  955.668  154.768  688.371  190.021 267.2975 245.0740 
1 1 1  -35    7   10 o  671.101  137.635   7.5248   2.7952   9.6597   4.0373   5.5594   3.8738  752.122  174.761  582.075  187.208 170.0479 256.1021 
1 1 1  -35    7   12 o  1604.21  108.449   41.291   5.4156   39.845   6.6776   44.070   9.2568  1564.22  137.739  1621.17  185.704 -56.94531 231.2096 
1 1 1  -35    7   14 o  731.942  152.350   9.0290   3.3781   7.4951   4.1811   11.912   5.7327  661.701  191.104  822.803  218.742 -161.1022 290.4636 
1 1 1  -35    7   16 o  1215.99  115.312   23.919   4.3381   23.527   5.2056   24.811   7.8485  1196.25  141.728  1192.70  218.194 3.549805 260.1833 
1 1 1  -35    7   18 o  597.747  171.319   6.0766   3.3718   3.3132   4.0397   12.423   6.1220  500.310  188.829  834.373  227.888 -334.0629 295.9548 
1 1 1  -35    7   20 o  2324.08  130.042   87.817   9.4256   88.180   13.921   87.509   12.808  2275.31  197.347  2281.31  180.780 -6.000732 267.6330 
1 1 1  -35    7   22 o  548.367  187.690   4.8397   3.8782   6.0546   6.7449   4.2397   4.7401  639.252  243.336  546.088  204.865 93.16376 318.0912 
1 1 1  -35    7   24 o  805.437  186.981   11.433   4.6250   19.411   7.2895   6.0576   5.9837  1029.57  231.707  621.725  230.776 407.8453 327.0259 
1 1 1  -35    7   26 o  1496.58  109.818   36.462   5.1103   38.618   6.4982   32.969   8.2732  1524.11  137.648  1365.35  199.393 158.7518 242.2907 
1 1 1  -35    7   28 o  629.857  168.295   7.0427   3.3824   12.270   4.6738   1.2948   4.9012  825.397  185.372  460.017  195.353 365.3795 269.3057 
1 1 1  -35    7   30 o  455.106  164.920   3.2368   3.0270   2.5081   4.0057   4.2068   4.6217  457.193  183.477  524.033  200.960 -66.84039 272.1196 
1 1 1  -35    7   32 o  1339.25  108.284   29.810   4.5020   33.437   5.7445   24.035   7.2483  1399.06  132.716  1112.08  215.938 286.9883 253.4617 
1 1 1  -35    7   34 o  1508.73  110.129   38.260   5.1668   40.244   6.4519   34.713   8.6270  1519.67  137.062  1318.48  216.480 201.1981 256.2215 
1 1 1  -35    7   36 f  1071.25  109.388   19.573   3.6178   23.779   5.3278   15.975   4.9281  1139.68  153.175  907.230  179.834 232.4491 236.2265 
1 1 1  -35    7   38 o  1024.34  129.382   18.796   4.0573   15.437   7.1177   20.413   4.9382  774.063  254.112  1039.36  156.594 -265.2997 298.4868 
1 1 1  -35    7   40 o  1096.18  108.948   21.062   3.6900   22.729   5.3279   19.525   5.1154  1072.61  163.833  982.519  172.570 90.09161 237.9525 
1 1 1  -35    7   42 o  846.576  153.945   14.346   3.9305   20.216   7.9655   12.457   4.5190  786.183  268.989  736.058  193.511 50.12500 331.3632 
1 1 1  -35    7   44 o  491.076  166.565   5.4653   3.0540   6.4170   4.4053   4.5846   4.2377  498.652  194.835  447.621  185.253 51.03116 268.8486 
1 1 1  -35    7   46 o  1166.66  112.101   25.660   4.0447   25.741   5.9652   25.590   5.5030  1016.05  194.581  1055.65  172.433 -39.59930 259.9900 
1 1 1  -35    7   48 o  1615.89  125.642   53.327   6.3072   54.293   7.6289   51.239   11.211  1516.97  163.175  939.022  319.135 577.9480 358.4314 
1 1 1  -35    8    1 o  627.946  198.569   6.6579   4.3723   6.6579   4.3723   0.0000   0.0000  627.946  198.569  ?   ?  0.000000 198.5693 
1 1 1  -35    8    3 o  1247.85  142.279   25.563   5.4599   21.037   8.2161   29.143   7.3066  1082.19  247.802  1314.94  182.367 -232.7555 307.6744 
1 1 1  -35    8    5 o  688.502  168.386   8.0818   3.6001   8.7528   4.7023   7.1315   5.5961  711.954  201.729  660.821  225.464 51.13373 302.5364 
1 1 1  -35    8    7 o  742.188  160.887   9.3218   3.6311   8.6174   4.4684   10.691   6.2306  707.404  195.308  781.545  235.299 -74.14117 305.7951 
1 1 1  -35    8    9 o  838.404  142.495   11.668   3.6070   12.482   4.5758   10.332   5.8619  856.483  176.490  769.449  227.452 87.03448 287.8944 
1 1 1  -35    8   11 o  377.081  157.278   0.6567   3.0886  -0.1438   3.7401   2.3732   5.4768  388.198  167.829  522.453  212.783 -134.2553 271.0042 
1 1 1  -35    8   13 o  369.252  153.371   0.6945   2.9197   0.0899   3.9290   1.4401   4.3630  403.076  173.125  457.322  188.502 -54.24652 255.9397 
1 1 1  -35    8   15 o  833.472  150.583   11.632   3.7853   11.793   4.9573   11.405   5.8621  824.542  195.057  803.858  224.352 20.68384 297.2897 
1 1 1  -35    8   17 o  477.530  177.534   3.0888   3.5440   8.2835   5.9587   0.2454   4.4084  698.559  232.658  427.825  183.558 270.7343 296.3497 
1 1 1  -35    8   19 o  1323.15  138.676   28.760   5.6601   27.533   8.3572   29.799   7.6932  1251.27  221.402  1320.24  191.698 -68.97192 292.8596 
1 1 1  -35    8   21 o  1668.03  126.975   45.351   6.5821   49.476   9.8154   41.981   8.8727  1704.92  186.926  1571.34  183.804 133.5745 262.1547 
1 1 1  -35    8   23 o  2115.18  128.736   73.140   8.4858   67.518   12.184   78.437   11.826  1974.66  199.794  2151.01  177.156 -176.3540 267.0240 
1 1 1  -35    8   25 o  376.861  162.495   0.1280   3.4874   2.7504   5.8834  -1.2924   4.3300  530.675  218.835  384.769  172.755 145.9065 278.8068 
1 1 1  -35    8   27 o  903.611  134.430   13.768   3.6877   11.631   4.7361   17.058   5.8772  801.746  191.318  969.774  200.181 -168.0279 276.9028 
1 1 1  -35    8   29 o  1240.99  116.190   25.529   4.4624   25.825   5.6618   25.042   7.2503  1225.92  150.667  1164.30  206.429 61.61877 255.5652 
1 1 1  -35    8   31 o  2118.90  103.673   73.676   6.8785   78.257   8.5282   65.149   11.636  2156.41  126.861  1871.36  201.763 285.0414 238.3318 
1 1 1  -35    8   33 o  496.576  156.818   4.4249   2.7277   6.2419   4.4316   3.3167   3.4610  574.754  200.428  459.667  174.467 115.0872 265.7258 
1 1 1  -35    8   35 o  715.951  141.735   9.2470   3.0650   5.9061   4.4713   12.208   4.2097  552.871  200.426  801.130  172.885 -248.2590 264.6882 
1 1 1  -35    8   37 o  521.987  173.247   5.3097   3.3051   13.362   6.5052   2.5077   3.8373  746.768  242.825  428.542  176.726 318.2260 300.3269 
1 1 1  -35    8   39 o  438.538  160.143   3.5416   2.8621   5.6292   4.8131   2.3996   3.5599  519.317  203.448  410.568  169.846 108.7484 265.0256 
1 1 1  -35    8   41 o  1423.17   99.464   35.023   4.4046   30.090   6.4258   39.395   6.0492  1209.25  174.776  1455.25  134.267 -246.0017 220.3952 
1 1 1  -35    8   43 o  626.654  188.815   9.2778   4.0108   5.6363   7.5213   10.725   4.7412  484.848  221.623  647.735  206.984 -162.8876 303.2475 
1 1 1  -35    8   45 o  550.972  172.049   7.1752   3.2929   4.2264   4.5608   10.387   4.7594  431.606  185.965  605.986  207.913 -174.3801 278.9453 
1 1 1  -35    8   47 o  414.499  166.779   4.1970   3.3192   0.4730   5.1549   6.8343   4.3381  353.982  168.620  477.796  191.224 -123.8142 254.9500 
1 1 1  -35    8   49 o  512.708  190.404   8.6666   4.0742   10.419   4.7717   3.9533   7.8266  529.048  203.863  381.422  187.571 147.6260 277.0255 
1 1 1  -35    9    2 o  546.407  176.223   4.8965   3.4307   3.9294   4.1827   6.8847   5.9971  525.256  193.324  655.487  232.772 -130.2314 302.5834 
1 1 1  -35    9    4 o  506.607  200.061   2.8116   4.6882   4.7602   7.6150   1.6222   5.9493  635.279  253.671  519.291  217.576 115.9881 334.1978 
1 1 1  -35    9    6 o  342.228  148.117  -0.1982   2.9195   2.3340   3.8214  -3.7478   4.5245  462.360  181.241  356.070  165.947 106.2897 245.7374 
1 1 1  -35    9    8 o  958.640  125.322   15.008   3.6718   18.453   4.9131   10.650   5.5262  1054.73  153.249  780.366  217.840 274.3604 266.3448 
1 1 1  -35    9   10 o  1020.64  133.644   17.072   4.1685   12.087   5.4400   24.161   6.4878  832.073  209.057  1198.74  178.270 -366.6680 274.7452 
1 1 1  -35    9   12 o  456.412  167.998   2.8348   3.1587   2.7851   4.1588   2.9025   4.8560  488.837  189.773  515.510  203.599 -26.67255 278.3277 
1 1 1  -35    9   14 o  720.855  148.715   8.7435   3.2453   14.400   4.2959   1.2234   4.9532  928.793  153.044  474.536  198.655 454.2569 250.7713 
1 1 1  -35    9   16 o  702.930  180.784   8.5162   4.0016   9.4886   6.5063   7.9245   5.0750  740.597  242.945  680.199  213.784 60.39789 323.6133 
1 1 1  -35    9   18 o  1052.92  165.814   18.683   5.2860   6.5950   8.3279   26.839   6.8406  686.323  267.961  1259.40  178.458 -573.0794 321.9483 
1 1 1  -35    9   20 o  1286.09  142.650   27.332   5.6479   27.894   9.1315   26.984   7.1876  1241.47  243.602  1254.08  188.898 -12.60596 308.2603 
1 1 1  -35    9   22 o  1229.03  145.658   25.153   5.4964   23.702   8.1697   26.352   7.4292  1140.19  236.580  1227.72  200.148 -87.53125 309.8860 
1 1 1  -35    9   24 o  1251.00  112.202   25.525   4.3484   21.962   5.5011   31.457   7.0993  1137.22  158.821  1356.30  170.963 -219.0786 233.3505 
1 1 1  -35    9   26 o  1095.93  127.948   19.988   4.3080   16.338   5.3688   26.588   7.2191  959.163  185.467  1222.51  195.151 -263.3458 269.2247 
1 1 1  -35    9   28 o  892.634  117.902   13.290   3.2148   14.171   4.9597   12.651   4.2217  885.932  184.769  846.987  165.116 38.94543 247.7962 
1 1 1  -35    9   30 o  1676.03  109.643   46.377   5.7224   50.042   7.2096   40.137   9.4076  1718.73  135.051  1462.08  211.646 256.6537 251.0635 
1 1 1  -35    9   32 o  294.789  132.494  -0.7698   2.5542   1.0703   3.8663  -2.1948   3.4023  405.755  172.935  311.468  144.740 94.28696 225.5132 
1 1 1  -35    9   34 o  1195.57  104.174   23.925   3.8609   25.328   5.5513   22.611   5.3734  1188.59  152.687  1117.67  157.939 70.92493 219.6773 
1 1 1  -35    9   36 o  474.284  164.754   4.1009   2.9930   6.6870   4.8902   2.5518   3.7847  573.136  209.323  432.663  176.625 140.4730 273.8840 
1 1 1  -35    9   38 o  278.162  129.898  -1.7724   2.7944  -2.1943   4.2072  -1.4393   3.7381  336.907  157.991  330.466  152.920 6.441071 219.8764 
1 1 1  -35    9   40 o  374.961  155.236   1.8370   2.9771  -3.3544   4.8197   5.0396   3.7856  336.835  161.164  494.857  183.584 -158.0225 244.2887 
1 1 1  -35    9   42 o  336.370  148.363   0.6499   3.0518   5.0716   4.5071  -3.0938   4.1471  481.615  194.148  309.206  148.353 172.4090 244.3400 
1 1 1  -35    9   44 o  721.994  188.012   12.237   4.2924   0.7765   8.0950   16.720   5.0627  424.592  204.602  839.132  196.192 -414.5403 283.4663 
1 1 1  -35    9   46 o  866.999  141.278   15.434   3.7033   16.243   5.4390   14.734   5.0564  751.090  218.265  728.136  210.118 22.95349 302.9674 
1 1 1  -35    9   48 o  501.686  179.621   7.1154   3.5780   6.6211   5.2736   7.5370   4.8706  442.865  195.198  470.455  196.973 -27.59030 277.3095 
1 1 1  -35   10    1 o  834.535  123.527   11.472   3.1304   13.995   4.6020   9.2996   4.2707  906.441  168.337  730.768  186.127 175.6732 250.9594 
1 1 1  -35   10    3 o  252.931  119.721  -2.8326   2.5187  -2.4776   3.7420  -3.1267   3.4058  335.816  154.537  304.602  142.621 31.21359 210.2912 
1 1 1  -35   10    5 o  353.146  149.600   0.2976   2.8630  -1.7567   6.3907   0.8135   3.2024  470.053  210.542  386.888  160.655 83.16473 264.8355 
1 1 1  -35   10    7 o  795.593  134.892   10.494   3.2404   17.683   5.1213   5.6941   4.1845  1026.51  164.913  590.346  194.889 436.1658 255.3002 
1 1 1  -35   10    9 o  200.431  100.321  -7.3016   2.6572  -3.7544   3.4393 -12.5545   4.1853  296.336  140.156  242.127  121.821 54.20897 185.6983 
1 1 1  -35   10   11 o  1006.08  164.106   16.982   4.9915   16.982   4.9915   0.0000   0.0000  1006.08  164.106  ?   ?  0.000000 164.1059 
1 1 1  -35   10   13 o  795.818  156.203   10.680   3.7534  -6.8300   8.2646   15.230   4.2130  470.277  220.822  958.331  144.923 -488.0540 264.1304 
1 1 1  -35   10   15 o  698.593  156.988   8.2919   3.3504   7.8123   7.1046   8.4291   3.7994  698.085  252.708  700.369  174.018 -2.283386 306.8288 
1 1 1  -35   10   17 o  555.952  170.358   5.1789   3.2458   13.647   7.1233   2.9601   3.6464  865.979  249.245  475.280  179.395 390.6989 307.0929 
1 1 1  -35   10   19 o  888.940  137.245   13.143   3.6972   18.680   7.7041   11.486   4.2141  1009.47  245.985  817.765  170.116 191.7020 299.0786 
1 1 1  -35   10   21 o  1016.86  110.784   16.845   3.4703   18.576   5.0162   15.256   4.8061  1048.79  157.619  943.641  168.856 105.1516 230.9894 
1 1 1  -35   10   23 o  808.582  129.991   10.930   3.1797   9.9263   4.6709   11.796   4.3407  744.596  197.208  822.153  174.038 -77.55688 263.0218 
1 1 1  -35   10   25 o  779.338  128.888   10.209   3.0353   19.174   4.6160   3.3804   4.0289  1067.06  141.653  493.057  187.974 574.0054 235.3718 
1 1 1  -35   10   27 o  1205.16   99.689   23.667   3.7281   27.562   5.3628   20.024   5.1864  1280.62  135.810  1076.38  158.636 204.2389 208.8293 
1 1 1  -35   10   29 o  412.845  166.810   1.8131   3.3355   2.6853   4.1756   0.2752   5.5445  467.479  187.427  454.564  200.262 12.91501 274.2876 
1 1 1  -35   10   31 o  1038.29  111.240   18.009   3.5603   23.485   5.3594   13.684   4.7632  1158.23  151.398  859.420  182.631 298.8117 237.2245 
1 1 1  -35   10   33 o  1279.07  103.498   27.224   4.1096   25.295   6.0586   28.868   5.5931  1177.71  169.146  1285.80  141.247 -108.0953 220.3660 
1 1 1  -35   10   35 o  679.423  147.683   8.4296   3.0522   10.425   4.5640   6.8149   4.1052  719.828  196.833  587.328  192.994 132.4998 275.6620 
1 1 1  -35   10   37 f  285.908  131.427  -1.2342   2.6965   0.6258   4.2367  -2.5007   3.4960  394.270  174.308  303.124  142.737 91.14514 225.2934 
1 1 1  -35   10   39 o  518.103  165.625   5.3313   3.0355   3.6927   4.4624   6.7425   4.1413  465.278  191.074  561.701  193.873 -96.42313 272.2062 
1 1 1  -35   10   41 o  1601.60   97.105   43.982   4.8468   38.216   6.9244   49.521   6.7865  1391.28  161.979  1638.61  133.426 -247.3381 209.8566 
1 1 1  -35   10   43 o  520.422  175.862   6.0585   3.4043   8.9738   4.8218   3.1609   4.8071  589.916  208.802  431.178  188.299 158.7372 281.1670 
1 1 1  -35   10   45 o  1393.00  106.075   35.175   4.5920   36.442   6.6553   34.023   6.3441  1296.11  167.934  1258.13  165.016 37.97949 235.4399 
1 1 1  -35   10   47 o  1252.80  144.065   33.026   5.5486   27.213   6.7499   45.139   9.7436  965.451  227.084  1110.82  280.168 -145.3723 360.6398 
1 1 1  -35   11    2 o  1151.91  118.804   21.604   4.2236   17.822   7.4827   23.372   5.1166  988.618  243.357  1190.05  139.986 -201.4326 280.7465 
1 1 1  -35   11    4 o  774.531  134.777   9.9868   3.1500   6.0305   4.6675   13.296   4.2686  607.324  205.915  887.352  159.493 -280.0285 260.4591 
1 1 1  -35   11    6 o  299.844  137.575  -1.9136   2.9358  -1.5580   5.6432  -2.0455   3.4376  443.291  198.251  327.298  149.692 115.9924 248.4167 
1 1 1  -35   11    8 o  363.538  147.736   0.9924   2.6328  -1.9606   3.9869   3.2759   3.5060  359.366  163.134  483.332  177.131 -123.9665 240.8071 
1 1 1  -35   11   10 o  654.436  149.056   7.2462   2.9862   2.5795   4.6185   10.599   3.9145  497.079  197.847  789.872  163.650 -292.7929 256.7580 
1 1 1  -35   11   12 o  514.561  197.124   3.3646   4.4441   1.5670   7.6833   4.2684   5.4478  571.381  243.663  569.015  218.189 2.366028 327.0748 
1 1 1  -35   11   14 o  439.674  165.904   2.4737   3.1179   7.4052   7.7106   1.5098   3.4090  695.406  261.209  417.843  168.706 277.5630 310.9532 
1 1 1  -35   11   16 o  840.629  142.598   11.809   3.6193   7.1949   7.4192   13.250   4.1462  683.427  256.320  886.924  154.933 -203.4972 299.5067 
1 1 1  -35   11   18 o  699.083  139.758   8.2355   2.9524   5.6185   4.8331   9.7933   3.7290  593.232  209.146  756.197  162.339 -162.9655 264.7565 
1 1 1  -35   11   20 o  835.702  126.873   11.582   3.2157   8.6924   4.7020   14.121   4.4076  700.734  202.740  910.765  160.412 -210.0313 258.5253 
1 1 1  -35   11   22 o  764.353  133.475   9.8167   3.0783   7.3868   4.4819   11.987   4.2353  647.902  200.460  831.785  168.392 -183.8829 261.8018 
1 1 1  -35   11   24 o  1428.17   94.525   32.911   4.2032   34.446   6.0352   31.466   5.8573  1439.26  135.512  1373.63  138.048 65.62683 193.4439 
1 1 1  -35   11   26 o  582.653  159.539   5.9613   2.9960   4.1445   4.6557   7.2454   3.9141  529.703  202.040  635.162  185.325 -105.4587 274.1633 
1 1 1  -35   11   28 o  1228.27  114.891   24.985   4.3674   28.014   5.5384   20.005   7.1020  1284.80  139.929  1020.12  228.063 264.6799 267.5687 
1 1 1  -35   11   30 o  573.039  161.985   5.9111   3.0357   5.0264   4.7707   6.5130   3.9352  548.101  205.545  595.012  188.405 -46.91077 278.8279 
1 1 1  -35   11   32 o  1686.97   93.922   46.626   4.9416   45.478   7.2007   47.648   6.7939  1619.30  143.501  1671.22  130.873 -51.91895 194.2175 
1 1 1  -35   11   34 o  288.641  133.756  -1.7636   2.8750  -1.0321   4.2909  -2.3595   3.8728  371.474  168.864  329.122  153.435 42.35181 228.1612 
1 1 1  -35   11   36 o  616.929  171.910   7.3723   3.4447  -4.4990   6.4679   12.073   4.0700  392.625  187.538  797.481  168.278 -404.8564 251.9681 
1 1 1  -35   11   38 o  965.851  122.597   16.436   3.6242   11.591   5.6333   19.858   4.7340  710.195  225.478  1035.34  150.426 -325.1504 271.0507 
1 1 1  -35   11   40 o  338.726  151.308   0.0729   3.2768  -2.2261   4.5999   2.4416   4.6690  346.606  163.368  434.327  187.645 -87.72067 248.7968 
1 1 1  -35   11   42 o  686.001  166.646   9.7400   3.5442   5.6918   5.0533   13.659   4.9722  502.995  204.571  768.449  203.443 -265.4542 288.5105 
1 1 1  -35   11   44 o  498.411  195.514   6.0965   4.4496   8.8286   5.2910  -0.5037   8.2238  563.322  215.259  419.834  203.274 143.4886 296.0687 
1 1 1  -35   11   46 o  516.876  193.841   7.2975   4.2430   1.5083   5.0527   21.144   7.8142  381.503  176.977  729.903  264.904 -348.4001 318.5826 
1 1 1  -35   12    1 o  344.683  147.518   0.1181   2.8346   7.7781   4.4020  -5.3079   3.7049  667.724  197.025  287.017  138.334 380.7075 240.7383 
1 1 1  -35   12    3 o  619.716  154.647   6.5576   2.9913   10.930   4.8413   3.8574   3.8043  788.757  196.691  511.198  184.942 277.5592 269.9831 
1 1 1  -35   12    5 o  422.066  160.232   2.2216   2.9196   3.5632   4.5671   1.2944   3.7967  522.898  199.950  427.536  175.989 95.36139 266.3684 
1 1 1  -35   12    7 o  725.832  140.275   8.8353   3.0728   8.4644   4.5140   9.1555   4.1946  697.487  197.655  726.650  184.126 -29.16248 270.1299 
1 1 1  -35   12    9 o  725.981  160.718   8.9817   3.5570   4.5367   7.5892   10.233   4.0266  626.888  252.206  772.629  170.964 -145.7410 304.6907 
1 1 1  -35   12   11 o  877.839  145.721   12.867   3.8650   6.5826   7.6185   15.045   4.4850  673.640  258.089  946.482  156.825 -272.8428 302.0002 
1 1 1  -35   12   13 o  724.111  203.574   9.1857   4.8082   10.961   7.4642   7.9264   6.2863  785.404  260.339  688.535  238.792 96.86951 353.2673 
1 1 1  -35   12   15 o  926.632  145.456   14.337   4.0814   11.232   8.6758   15.219   4.6252  796.652  280.285  948.847  161.457 -152.1945 323.4627 
1 1 1  -35   12   17 f  1543.30   95.376   38.189   4.5864   32.420   6.7831   43.049   6.2251  1392.78  158.349  1626.46  123.144 -233.6815 200.5966 
1 1 1  -35   12   19 o  830.472  127.275   11.445   3.2042   17.769   5.3794   7.9681   3.9890  1016.84  175.283  674.612  183.827 342.2246 254.0007 
1 1 1  -35   12   21 o  342.868  145.260   0.3516   2.6997  -0.5459   4.8633   0.7514   3.2458  424.579  187.278  383.373  160.672 41.20609 246.7562 
1 1 1  -35   12   23 o  537.887  162.553   4.9611   2.9695   3.9219   4.7957   5.6074   3.7816  531.031  204.445  571.789  185.081 -40.75824 275.7765 
1 1 1  -35   12   25 o  364.127  149.084   1.0506   2.7064   1.0049   4.0477   1.0876   3.6396  422.290  178.329  407.674  170.444 14.61612 246.6825 
1 1 1  -35   12   27 o  946.247  120.292   14.945   3.4836   19.876   5.2854   11.157   4.6321  1067.83  163.259  780.479  191.077 287.3505 251.3243 
1 1 1  -35   12   29 o  679.139  147.083   8.1010   3.0373   4.4900   4.7091   10.673   3.9744  533.666  203.281  769.981  169.441 -236.3143 264.6382 
1 1 1  -35   12   31 f  1075.57  111.911   19.321   3.7138   24.538   5.5851   15.185   4.9725  1182.03  154.603  908.049  181.231 273.9824 238.2159 
1 1 1  -35   12   33 o  866.480  135.965   13.104   3.5675   16.949   5.4342   10.192   4.7294  944.737  190.279  719.347  201.779 225.3900 277.3459 
1 1 1  -35   12   35 o  868.180  159.321   13.842   4.1715   18.196   7.8375   12.122   4.9274  882.379  263.508  776.556  201.062 105.8237 331.4551 
1 1 1  -35   12   37 o  890.191  130.026   14.033   3.5174   19.099   5.2948   10.032   4.7059  996.397  176.152  691.270  203.639 305.1276 269.2557 
1 1 1  -35   12   39 o  387.993  170.470   0.9089   3.9931   1.4468   4.6019  -0.7303   8.0336  417.442  183.216  459.796  216.470 -42.35333 283.5972 
1 1 1  -35   12   41 o  373.069  169.336   0.1076   4.2944  -4.7283   5.0548   12.651   8.1410  328.351  159.077  647.572  260.972 -319.2211 305.6334 
1 1 1  -35   12   43 o  826.170  185.549   14.954   4.6827   12.803   5.4235   21.255   9.2813  703.769  220.972  752.504  285.685 -48.73474 361.1715 
1 1 1  -35   12   45 o  610.060  231.410   11.821   6.0864   5.2970   8.1248   20.165   9.1880  468.397  219.621  674.852  275.311 -206.4542 352.1789 
1 1 1  -35   13    2 o  840.127  134.769   11.749   3.4254   9.3148   4.9379   14.006   4.7559  725.883  207.083  902.798  174.551 -176.9155 270.8345 
1 1 1  -35   13    4 o  1002.36  117.969   16.403   3.6317   17.732   5.5120   15.383   4.8278  1017.24  179.616  950.861  168.309 66.38324 246.1501 
1 1 1  -35   13    6 o  482.251  163.593   3.6478   2.9460  -0.8748   4.3723   7.4084   3.9869  399.737  176.883  654.595  185.846 -254.8584 256.5659 
1 1 1  -35   13    8 o  433.583  171.355   1.9666   3.4418   3.7454   7.2700   1.4527   3.9075  600.608  244.945  436.738  179.012 163.8698 303.3867 
1 1 1  -35   13   10 o  357.427  155.107  -0.2112   3.2186  -7.2165   6.0345   2.5740   3.8050  377.654  180.598  467.298  181.492 -89.64334 256.0368 
1 1 1  -35   13   12 o  301.952  137.961  -1.7238   2.9105  -3.4830   5.9981  -1.1820   3.3287  424.986  195.603  339.286  151.962 85.69928 247.6948 
1 1 1  -35   13   14 o  381.115  164.052   0.0637   3.5423  -0.1815   4.5801   0.4288   5.5883  423.656  184.437  477.274  205.745 -53.61749 276.3116 
1 1 1  -35   13   16 o  1181.37  103.011   22.534   3.7724   23.791   5.4526   21.380   5.2247  1195.16  148.931  1131.11  151.307 64.04785 212.3074 
1 1 1  -35   13   18 o  382.366  152.791   1.3894   2.7648   1.0476   4.4935   1.5977   3.5073  447.173  188.313  422.248  170.896 24.92563 254.2979 
1 1 1  -35   13   20 o  563.132  158.495   5.4472   2.9129   7.1773   4.4304   4.1299   3.8659  640.523  199.490  518.823  186.606 121.6993 273.1633 
1 1 1  -35   13   22 o  521.280  167.434   4.5660   3.0994   3.4085   4.6255   5.5092   4.1754  512.304  199.790  572.963  194.757 -60.65930 279.0093 
1 1 1  -35   13   24 o  1146.69  112.789   21.574   3.9974   21.604   6.1754   21.553   5.2443  1107.48  184.576  1125.43  152.763 -17.95068 239.5932 
1 1 1  -35   13   26 o  805.285  142.555   11.111   3.4630   7.5368   5.2574   13.850   4.6026  645.597  218.544  885.297  172.232 -239.7006 278.2541 
1 1 1  -35   13   28 o  1284.95  105.224   27.092   4.1966   18.763   6.2930   33.762   5.6316  1003.77  207.090  1420.25  128.010 -416.4797 243.4603 
1 1 1  -35   13   30 o  1306.90  106.158   28.181   4.3067   22.215   6.5314   32.769   5.7284  1093.71  198.008  1390.15  133.231 -296.4393 238.6578 
1 1 1  -35   13   32 o  704.633  157.113   8.9610   3.3782   14.590   5.4543   5.4582   4.3028  868.911  203.966  551.714  197.033 317.1971 283.5917 
1 1 1  -35   13   34 o  435.458  172.632   2.6154   3.5034   4.2908   6.9664   2.0482   4.0532  549.295  233.063  434.515  180.612 114.7797 294.8542 
1 1 1  -35   13   36 o  328.105  146.624  -0.4204   3.0804  -0.5575   5.0522  -0.3392   3.8864  404.395  183.599  365.908  164.020 38.48737 246.1934 
1 1 1  -35   13   38 o  576.636  171.032   6.5279   3.3101   3.2411   4.6799   9.8185   4.6826  467.463  194.171  680.033  203.815 -212.5705 281.5014 
1 1 1  -35   13   40 o  434.029  183.914   2.5665   4.3289   4.8907   5.1862  -2.7735   7.8609  504.368  206.424  430.642  205.988 73.72620 291.6201 
1 1 1  -35   13   42 o  586.328  203.364   8.0665   4.5594   11.369   5.2343  -2.3189   9.2827  680.632  217.479  443.489  215.034 237.1431 305.8378 
1 1 1  -35   14    1 o  678.048  159.224   7.8898   3.3229   1.6120   4.8611   13.396   4.5525  476.431  197.896  883.678  170.707 -407.2471 261.3495 
1 1 1  -35   14    3 o  364.217  154.072   0.4061   3.0298   1.1204   4.5542  -0.1610   4.0583  453.098  190.129  400.403  173.962 52.69458 257.7048 
1 1 1  -35   14    5 o  276.332  132.723  -4.5830   3.3391  -0.2434   7.2570  -5.7485   3.7609  522.773  229.746  284.607  137.716 238.1653 267.8597 
1 1 1  -35   14    7 o  839.209  166.140   12.017   4.2113   7.2689   8.6862   13.476   4.8151  704.601  274.060  884.266  180.020 -179.6647 327.8969 
1 1 1  -35   14    9 o  818.799  158.444   11.375   3.9154   4.0991   8.2982   13.459   4.4409  631.746  260.130  889.606  165.515 -257.8604 308.3225 
1 1 1  -35   14   11 o  432.642  164.411   2.3515   3.0758   0.2957   4.8564   3.7285   3.9747  446.250  192.087  511.129  188.405 -64.87869 269.0612 
1 1 1  -35   14   13 o  697.863  150.001   8.2732   3.1802   10.618   4.8943   6.5596   4.1839  775.882  200.138  619.963  193.989 155.9195 278.7239 
1 1 1  -35   14   15 f  335.521  153.964  -2.2504   3.6784  -0.4215   4.6584  -5.2793   5.9951  421.205  184.615  398.402  187.393 22.80276 263.0570 
1 1 1  -35   14   17 o  525.341  164.218   4.6151   2.9991   10.297   4.8571   1.1142   3.8127  761.292  200.850  421.074  175.111 340.2181 266.4668 
1 1 1  -35   14   19 o  581.441  170.564   5.8191   3.3075   10.473   5.1061   2.4544   4.3415  763.508  207.951  478.382  191.356 285.1262 282.5964 
1 1 1  -35   14   21 o  1029.31  116.565   17.391   3.6907   12.644   5.6409   20.945   4.8801  832.646  214.903  1118.70  142.555 -286.0586 257.8862 
1 1 1  -35   14   23 o  898.934  129.839   13.506   3.5488   12.415   5.5169   14.276   4.6350  822.344  212.667  905.819  169.648 -83.47522 272.0434 
1 1 1  -35   14   25 o  535.476  171.980   4.9118   3.2701   3.1146   4.9011   6.3538   4.3901  507.465  203.199  601.994  199.662 -94.52933 284.8772 
1 1 1  -35   14   27 o  687.402  161.721   8.3620   3.4228   17.396   5.5223   2.7270   4.3615  984.102  186.028  477.986  191.585 506.1156 267.0411 
1 1 1  -35   14   29 o  338.109  148.791  -0.3109   3.0528   1.8613   4.7185  -1.8748   4.0036  462.389  193.752  351.819  161.141 110.5702 252.0049 
1 1 1  -35   14   31 o  570.809  167.620   5.9025   3.1929   2.4611   4.8618   8.5123   4.2339  477.267  198.049  672.290  191.740 -195.0232 275.6583 
1 1 1  -35   14   33 o  1135.81  130.347   22.118   4.5518   29.441   8.6159   19.283   5.3611  1204.56  236.872  1027.65  172.735 176.9163 293.1649 
1 1 1  -35   14   35 o  391.754  164.233   1.3574   3.3929   8.6400   5.1295  -4.3068   4.5238  650.408  215.829  329.113  157.102 321.2958 266.9510 
1 1 1  -35   14   37 o  567.205  192.841   6.3654   4.0937   6.9243   4.7569   4.7698   8.0374  584.154  207.325  555.907  243.106 28.24683 319.5060 
1 1 1  -35   14   39 o  769.919  196.952   12.361   4.7673   11.719   5.7224   13.815   8.6190  713.665  227.325  706.979  273.550 6.686096 355.6768 
1 1 1  -35   14   41 o  574.461  195.089   7.2185   4.1896   5.9981   4.8678   10.706   8.2290  528.404  205.263  618.447  257.231 -90.04285 329.0911 
1 1 1  -35   15    2 o  839.787  164.370   12.037   4.1675   1.5347   8.0387   15.897   4.8736  576.002  247.523  967.050  166.983 -391.0475 298.5813 
1 1 1  -35   15    4 o  696.287  178.516   8.4047   3.9104   8.3492   8.6780   8.4188   4.3804  727.666  276.246  694.419  193.981 33.24780 337.5511 
1 1 1  -35   15    6 o  433.656  177.250   1.4841   3.8175  -3.7606   8.1515   2.9575   4.3206  500.334  229.446  496.405  193.230 3.929047 299.9726 
1 1 1  -35   15    8 o  867.818  170.592   12.877   4.4703   9.9620   8.5953   13.958   5.2339  765.565  277.831  895.321  192.423 -129.7568 337.9597 
1 1 1  -35   15   10 o  735.019  153.432   9.1725   3.4172   8.3960   5.0327   9.8369   4.6547  693.722  212.054  748.921  196.157 -55.19879 288.8680 
1 1 1  -35   15   12 o  594.129  166.853   6.0355   3.2318  -5.8026   5.2215   13.387   4.1148  358.212  170.374  891.732  152.866 -533.5206 228.9001 
1 1 1  -35   15   14 o  406.037  164.436   1.4047   3.2493   0.2138   5.0783   2.2302   4.2280  452.694  195.638  470.546  188.620 -17.85147 271.7563 
1 1 1  -35   15   16 o  416.560  174.926   0.8621   3.8596   2.0923   4.8118  -1.3576   6.4634  486.511  198.943  474.751  212.255 11.75949 290.9132 
1 1 1  -35   15   18 o  320.951  144.753  -1.2988   3.0798  -1.0492   4.7058  -1.4859   4.0733  409.055  182.124  370.607  166.874 38.44778 247.0142 
1 1 1  -35   15   20 o  762.047  146.783   9.8734   3.3754   15.009   5.1439   5.9895   4.4732  926.433  183.810  596.602  201.588 329.8304 272.8075 
1 1 1  -35   15   22 o  543.080  170.296   5.0209   3.2224   4.6069   4.9328   5.3291   4.2560  556.031  208.911  567.737  196.506 -11.70660 286.8072 
1 1 1  -35   15   24 o  927.546  133.353   14.431   3.7617   10.646   5.9814   16.907   4.8383  754.916  231.250  991.018  161.477 -236.1028 282.0486 
1 1 1  -35   15   26 o  522.813  191.237   4.2943   4.0839   6.0019   5.4865   2.1726   6.1156  600.718  221.365  517.959  218.988 82.75861 311.3816 
1 1 1  -35   15   28 o  379.966  158.388   0.9839   3.1298   5.6646   5.0193  -1.9938   4.0033  579.584  212.010  350.995  160.900 228.5884 266.1521 
1 1 1  -35   15   30 o  1042.43  145.760   18.737   4.6276   14.927   8.7972   20.194   5.4413  830.177  282.690  1067.24  168.411 -237.0623 329.0536 
1 1 1  -35   15   32 o  762.982  181.302   10.807   4.2675   1.8824   7.7573   14.680   5.1103  535.646  236.384  886.624  189.802 -350.9775 303.1538 
1 1 1  -35   15   34 o  496.836  189.374   4.0069   4.0885   11.430   5.0549 -10.0350   6.9525  760.006  206.869  364.784  178.861 395.2218 273.4703 
1 1 1  -35   15   36 o  498.281  189.648   4.2397   4.0966   3.3314   5.1018   5.8882   6.8734  490.636  203.178  575.037  236.759 -84.40137 311.9873 
1 1 1  -35   15   38 o  874.346  179.887   14.855   4.7606   14.202   5.6500   16.455   8.8396  814.970  217.395  784.591  282.176 30.37897 356.2081 
1 1 1  -35   15   40 o  407.509  168.624   2.1849   3.5102   1.7854   5.3032   2.4964   4.6828  441.995  195.232  443.574  189.718 -1.578461 272.2291 
1 1 1  -35   16    1 o  648.945  183.923   7.2903   3.9084   15.725   8.9998   5.3299   4.3388  912.159  284.366  575.492  198.454 336.6666 346.7680 
1 1 1  -35   16    3 o  881.827  166.709   13.247   4.4346   17.675   9.4218   11.986   5.0261  963.792  289.165  826.542  196.991 137.2506 349.8882 
1 1 1  -35   16    5 o  492.153  181.525   3.4056   3.6906  -1.0453   7.2900   4.9395   4.2795  511.412  227.245  561.388  196.892 -49.97583 300.6767 
1 1 1  -35   16    7 o  439.950  167.317   2.4264   3.1871   5.9510   4.7816  -0.3911   4.2752  605.588  208.363  406.005  177.433 199.5825 273.6742 
1 1 1  -35   16    9 f  430.255  175.397   1.4912   3.7257   0.0000   8.2765   1.8702   4.1724  559.325  245.592  459.227  186.211 100.0977 308.2049 
1 1 1  -35   16   11 o  281.460  132.846  -3.2246   3.0610 -11.4100   4.9026   2.0050   3.9187  284.995  141.627  453.296  181.630 -168.3009 230.3208 
1 1 1  -35   16   13 o  1003.09  130.232   16.568   3.9940   15.930   5.8675   17.119   5.4520  952.288  202.981  998.477  181.048 -46.18951 271.9918 
1 1 1  -35   16   15 o  465.088  170.748   3.0506   3.2599   4.3128   4.8171   1.9842   4.4279  550.845  206.548  470.701  191.472 80.14426 281.6443 
1 1 1  -35   16   17 o  530.952  172.297   4.6566   3.2758   10.392   5.2089   0.9041   4.2132  762.769  210.985  432.712  182.291 330.0565 278.8269 
1 1 1  -35   16   19 o  671.269  162.961   7.7920   3.3908   4.3170   5.0930   10.559   4.5445  554.836  211.390  773.567  189.185 -218.7308 283.6843 
1 1 1  -35   16   21 o  574.237  173.748   5.6705   3.3911   2.0482   4.8935   9.0170   4.7035  485.046  199.746  710.131  201.943 -225.0849 284.0409 
1 1 1  -35   16   23 o  469.410  170.017   3.2936   3.2164   2.9450   4.8247   3.5725   4.3152  504.552  201.760  508.722  194.397 -4.169922 280.1734 
1 1 1  -35   16   25 o  530.713  192.884   4.4237   4.1449   1.8265   5.4000   8.1488   6.4669  491.716  206.719  677.204  241.586 -185.4881 317.9568 
1 1 1  -35   16   27 o  859.447  152.904   12.760   3.9640   7.8530   6.2057   16.143   5.1522  661.424  236.581  953.831  179.082 -292.4069 296.7171 
1 1 1  -35   16   29 o  956.854  143.252   15.682   4.1600   16.689   6.4093   14.949   5.4684  935.164  222.169  899.564  199.376 35.60065 298.5132 
1 1 1  -35   16   31 o  378.310  171.970  -1.4942   4.4500   3.8249   5.9331  -8.3341   6.7280  539.584  220.809  378.945  183.573 160.6394 287.1506 
1 1 1  -35   16   33 o  563.345  193.700   5.7679   4.1320   5.4534   5.0414   6.4115   7.2125  560.972  211.113  610.649  245.798 -49.67749 324.0150 
1 1 1  -35   16   35 o  307.054  146.383  -3.9279   3.9012   3.0561   4.7578 -18.2578   6.8151  481.723  197.500  303.910  153.227 177.8128 249.9693 
1 1 1  -35   16   37 o  778.390  156.662   11.147   3.6862   9.8516   4.9254   12.796   5.5577  690.737  209.489  780.531  218.666 -89.79419 302.8205 
1 1 1  -35   17    2 o  398.127  169.236   0.4229   3.6849   6.3106   9.0177  -0.7572   4.0373  691.272  276.042  386.391  170.524 304.8809 324.4654 
1 1 1  -35   17    4 o  619.403  164.280   6.5614   3.2384   2.4375   4.8145   9.9686   4.3763  498.466  200.760  757.516  185.889 -259.0495 273.6041 
1 1 1  -35   17    6 o  546.900  171.008   4.9719   3.2520   7.7482   5.3353   3.3308   4.1020  674.101  219.943  502.311  190.111 171.7897 290.7182 
1 1 1  -35   17    8 o  911.071  142.723   13.810   3.9379   9.9760   5.5924   17.581   5.5459  751.672  222.151  1014.02  181.323 -262.3491 286.7563 
1 1 1  -35   17   10 o  614.754  199.382   6.3355   4.3870   18.650   8.7189   2.1612   5.0764  1000.17  271.456  500.148  204.409 500.0242 339.8106 
1 1 1  -35   17   12 o  956.885  136.782   15.153   3.9817   18.338   5.7385   12.197   5.5293  1034.03  183.979  829.345  212.084 204.6807 280.7627 
1 1 1  -35   17   14 o  338.943  152.713  -1.4132   3.4176  -6.6943   5.1418   2.7666   4.5743  343.500  164.908  498.717  197.403 -155.2168 257.2207 
1 1 1  -35   17   16 o  504.363  177.625   3.8993   3.4852   4.3272   4.8334   3.4359   5.0300  551.789  206.898  530.721  207.963 21.06842 293.3519 
1 1 1  -35   17   18 o  869.158  145.882   12.698   3.8296   17.850   5.4900   7.8153   5.3447  1018.67  178.627  671.649  220.185 347.0234 283.5296 
1 1 1  -35   17   20 o  599.545  180.538   6.1965   3.6677   10.890   5.5674   2.5976   4.8751  775.891  219.381  500.412  201.852 275.4789 298.1141 
1 1 1  -35   17   22 o  549.532  177.346   5.0883   3.4741   2.5203   5.4359   6.8614   4.5170  514.053  210.972  628.353  202.160 -114.2995 292.1949 
1 1 1  -35   17   24 o  445.380  177.144   2.1846   3.7001   5.5108   5.0839  -1.5617   5.3953  586.036  213.521  425.404  191.753 160.6321 286.9849 
1 1 1  -35   17   26 o  574.546  175.001   5.7613   3.4318   6.8055   4.7319   4.6027   4.9846  621.963  207.337  553.288  209.528 68.67438 294.7719 
1 1 1  -35   17   28 o  377.078  165.076  -0.1736   3.7146   0.1438   4.3578  -1.0173   7.1043  412.753  179.794  488.794  220.208 -76.04114 284.2845 
1 1 1  -35   17   30 o  755.266  192.277   10.528   4.5591   12.885   5.5582   5.6809   7.9702  823.848  213.659  622.224  255.423 201.6243 333.0032 
1 1 1  -35   17   32 o  1322.63  135.760   29.750   5.5427   29.080   6.8515   31.019   9.4290  1274.38  176.432  1241.79  251.124 32.59521 306.9064 
1 1 1  -35   17   34 o  1511.47  104.808   37.796   4.9297   45.042   7.1620   31.272   6.7957  1614.35  143.169  1320.53  168.165 293.8199 220.8547 
1 1 1  -35   17   36 o  506.228  184.252   4.4946   3.7842   5.7324   5.3372   3.2432   5.3663  561.958  215.849  498.025  207.482 63.93369 299.3991 
1 1 1  -35   18    1 o  519.290  183.146   4.1087   3.7065  -0.5514   6.5195   6.3343   4.5054  494.080  217.433  616.281  202.166 -122.2012 296.8978 
1 1 1  -35   18    3 o  539.958  172.270   4.7971   3.2853   3.0828   5.5061   5.7446   4.0938  538.229  215.427  589.586  192.675 -51.35608 289.0197 
1 1 1  -35   18    5 o  373.927  158.786   0.3276   3.2378   3.1732   5.2761  -1.3915   4.1008  534.002  211.804  376.613  168.674 157.3884 270.7620 
1 1 1  -35   18    7 o  476.549  173.842   3.2087   3.3714   6.5378   5.3609   1.0306   4.3363  635.543  220.510  444.009  185.874 191.5339 288.3990 
1 1 1  -35   18    9 o  544.328  182.448   4.7561   3.6638   2.0225   5.0662   7.7535   5.3049  497.170  203.813  675.069  219.269 -177.8986 299.3638 
1 1 1  -35   18   11 o  770.890  179.491   10.253   4.2517   12.991   8.1910   9.2435   4.9743  845.744  272.247  726.840  208.016 118.9037 342.6212 
1 1 1  -35   18   13 o  482.030  171.441   3.4489   3.2544   4.3182   4.6611   2.6220   4.5459  549.487  203.736  494.641  196.473 54.84613 283.0373 
1 1 1  -35   18   15 o  553.258  182.026   5.0125   3.6515   0.5459   5.2134   9.3138   5.1160  466.344  199.837  727.458  211.768 -261.1143 291.1703 
1 1 1  -35   18   17 o  553.914  185.227   5.0024   3.7762   4.2764   5.5527   5.6271   5.1506  568.369  219.662  599.501  215.417 -31.13141 307.6619 
1 1 1  -35   18   19 o  641.280  175.669   7.1259   3.6315   7.7271   5.0156   6.4633   5.2649  667.028  212.862  626.482  218.463 40.54492 305.0182 
1 1 1  -35   18   21 o  270.572  129.466  -4.0022   3.1111  -4.6294   4.0652  -3.1156   4.8332  315.679  150.199  377.438  174.383 -61.75870 230.1502 
1 1 1  -35   18   23 o  866.044  154.995   12.789   4.0488   11.311   5.2435   14.972   6.3719  791.303  208.645  902.919  225.924 -111.6167 307.5296 
1 1 1  -35   18   25 o  442.387  184.521   1.3636   4.2514   0.5640   4.8904   3.8373   8.6018  447.582  192.709  617.886  260.392 -170.3032 323.9457 
1 1 1  -35   18   27 o  367.614  163.897  -0.8800   3.8251   0.5636   4.4185  -5.1972   7.6413  426.988  183.500  453.179  212.645 -26.19171 280.8740 
1 1 1  -35   18   29 o  487.454  185.641   3.3953   3.9268   6.2062   4.5540  -4.7531   7.7537  595.264  203.390  458.431  214.820 136.8326 295.8299 
1 1 1  -35   18   31 o  816.786  161.244   11.783   3.9775   9.9847   5.6623   13.535   5.5886  720.180  225.727  845.023  211.664 -124.8430 309.4423 
1 1 1  -35   18   33 o  538.352  177.874   5.1455   3.4855   5.2416   5.0138   5.0557   4.8487  558.182  210.440  550.215  207.045 7.967529 295.2162 
1 1 1  -35   19    2 o  1173.61  133.372   22.551   4.8142   22.341   8.0913   22.666   5.9897  1118.61  238.303  1161.54  169.692 -42.92627 292.5472 
1 1 1  -35   19    4 o  342.224  152.596  -1.0685   3.3168   3.7183   6.2769  -2.9228   3.9068  577.366  230.383  337.132  156.120 240.2342 278.2981 
1 1 1  -35   19    6 o  853.042  166.142   12.331   4.2782   8.6804   7.4487   14.128   5.2262  727.244  259.294  905.244  190.411 -178.0009 321.6981 
1 1 1  -35   19    8 o  526.048  191.472   3.9980   4.0866   6.1490   6.6750   2.7083   5.1685  648.294  243.129  519.315  208.413 128.9787 320.2303 
1 1 1  -35   19   10 o  403.133  173.860  -0.0044   3.9940  -4.7431   6.4798   2.8989   5.0720  428.711  199.397  521.080  207.354 -92.36865 287.6716 
1 1 1  -35   19   12 o  636.638  223.328   6.4926   5.5060   0.0000   0.0000   6.4926   5.5060  ?   ?   636.638  223.328 0.000000 223.3278 
1 1 1  -35   19   14 o  454.385  174.702   2.4944   3.4985   3.3769   4.6572   1.3515   5.3000  520.880  201.210  489.024  205.150 31.85562 287.3538 
1 1 1  -35   19   16 o  319.789  147.822  -2.5291   3.4794   5.2520   5.5813  -7.4755   4.4500  598.559  222.742  300.901  146.574 297.6581 266.6422 
1 1 1  -35   19   18 o  683.734  210.678   8.1363   4.9562   10.329   5.5351  -0.7343   11.132  761.976  219.826  623.197  278.594 138.7787 354.8781 
1 1 1  -35   19   20 o  590.195  182.014   5.9287   3.6984   6.9562   5.0935   4.7828   5.3788  641.274  215.118  577.405  217.898 63.86884 306.1954 
1 1 1  -35   19   22 o  439.355  190.448   0.1187   4.8417   0.1187   4.8417   0.0000   0.0000  439.355  190.448  ?   ?  0.000000 190.4481 
1 1 1  -35   19   24 o  709.497  204.116   9.0058   4.7782   10.574   5.4548   3.8357   9.9057  762.957  217.650  649.606  276.835 113.3511 352.1496 
1 1 1  -35   19   26 o  787.626  193.941   11.130   4.7513   12.818   5.5166   6.2801   9.3503  838.150  210.491  676.135  277.000 162.0144 347.9017 
1 1 1  -35   19   28 o  739.778  163.604   9.5904   3.6892   8.9109   5.0466   10.370   5.4065  697.366  212.174  747.404  217.732 -50.03839 304.0151 
1 1 1  -35   19   30 o  645.435  184.096   7.5261   3.9029   11.228   5.3920   3.4524   5.6565  772.300  215.035  532.607  216.505 239.6934 305.1466 
1 1 1  -35   20    1 o  823.250  160.377   11.450   3.9856   5.3757   5.4216   18.593   5.8791  601.594  220.298  1043.47  186.793 -441.8738 288.8307 
1 1 1  -35   20    3 o  517.747  187.187   3.8928   3.8963   5.3000   5.2192   2.1214   5.8560  595.688  216.450  527.857  218.060 67.83124 307.2473 
1 1 1  -35   20    5 o  382.022  166.700  -0.4221   3.7609  -2.1927   5.4840   1.1501   5.1676  426.857  192.780  481.323  202.280 -54.46631 279.4304 
1 1 1  -35   20    7 o  499.142  192.111   3.0391   4.2335   3.5729   6.7322   2.6899   5.4448  587.909  237.182  528.705  213.299 59.20465 318.9857 
1 1 1  -35   20    9 o  486.358  189.867   2.6883   4.1808   6.0363   6.5434   0.3787   5.4348  644.114  240.884  474.331  203.668 169.7834 315.4456 
1 1 1  -35   20   11 o  404.524  172.327   0.3322   3.8358  -1.5296   5.5401   2.0464   5.3160  440.774  196.828  507.938  208.567 -67.16373 286.7774 
1 1 1  -35   20   13 o  469.043  200.045   0.6223   5.1799   0.0000   0.0000   0.6223   5.1799  ?   ?   469.043  200.045 0.000000 200.0448 
1 1 1  -35   20   15 o  306.933  145.332  -4.0775   3.7179  -3.7673   5.4542  -4.3468   5.0813  398.929  184.640  373.150  174.553 25.77930 254.0884 
1 1 1  -35   20   17 f  433.658  175.971   1.5843   3.7290   6.9919   5.1026  -4.6145   5.4632  646.361  215.298  386.281  180.790 260.0801 281.1373 
1 1 1  -35   20   19 o  482.685  203.846   1.1546   5.2895  -2.2514   5.9768   13.460   11.361  443.430  200.670  863.834  318.510 -420.4034 376.4529 
1 1 1  -35   20   21 o  519.998  209.047   2.8516   5.2098   1.9523   6.0670   5.3768   10.167  525.276  219.874  690.412  286.435 -165.1352 361.0947 
1 1 1  -35   20   23 o  468.396  199.320   0.9306   5.1215   0.9874   5.9928   0.7767   9.8626  500.422  214.342  606.629  267.183 -106.2079 342.5340 
1 1 1  -35   20   25 o  1186.68  135.893   23.367   4.9585   19.971   7.2698   26.322   6.7804  1044.61  228.605  1235.20  180.648 -190.5916 291.3655 
1 1 1  -35   21    8 o  402.442  168.623   0.6948   3.5735  -0.5591   4.9264   2.0873   5.1915  434.314  190.119  505.795  206.715 -71.48114 280.8493 
1 1 1  -35   21   10 o  553.767  187.376   4.8503   3.8648   2.9218   5.1880   7.2548   5.7931  527.154  209.732  667.762  229.367 -140.6078 310.7997 
1 1 1  -35   21   12 o  779.729  171.535   10.360   4.0743   5.4447   5.2093   18.104   6.5384  600.709  216.554  1020.17  211.622 -419.4583 302.7865 
1 1 1  -35   21   14 o  478.003  182.835   2.8190   3.8195   0.9458   5.1380   5.1327   5.7102  475.246  200.816  601.433  225.006 -126.1864 301.5869 
1 1 1  -35   21   16 o  486.020  192.026   2.5425   4.3212   1.3532   4.6562   9.9268   11.602  465.742  193.586  806.629  315.906 -340.8870 370.5025 
1 1 1  -35   21   18 o  329.694  156.973  -5.2164   4.4558  -5.8660   4.7906  -1.0498   12.133  337.801  161.365  647.515  290.058 -309.7145 331.9218 
1 1 1  -34    0    2 o  386.951  218.703   3.3116   4.0673   3.3116   4.0673   3.3116   4.0673  386.951  218.703  386.951  218.703 -0.000000 0.000000 
1 1 1  -34    0    4 o  241.469  166.171  -2.8172   4.1311  -2.8172   4.1311  -2.8172   4.1311  241.469  166.171  241.469  166.171 -0.000000 0.000000 
1 1 1  -34    0    6 o  248.113  166.661  -1.3325   3.6636  -1.3325   3.6636  -1.3325   3.6636  248.113  166.661  248.113  166.661 -0.000000 0.000000 
1 1 1  -34    0    8 o  283.400  187.283  -0.7693   4.3150  -0.7693   4.3150  -0.7693   4.3150  283.400  187.283  283.400  187.283 -0.000000 0.000000 
1 1 1  -34    0   10 o  812.734  261.800   13.611   5.8825   13.611   5.8825   13.611   5.8825  812.734  261.800  812.734  261.800 -0.000000 0.000000 
1 1 1  -34    0   12 o  363.990  221.235   2.1682   4.7073   2.1682   4.7073   2.1682   4.7073  363.990  221.235  363.990  221.235 -0.000000 0.000000 
1 1 1  -34    0   14 f  1077.89  160.812   19.737   5.0718   19.737   5.0718   19.737   5.0718  1077.89  160.812  1077.89  160.812 -0.000000 0.000000 
1 1 1  -34    0   16 o  2119.33  125.017   72.033   8.2302   72.033   8.2302   72.033   8.2302  2119.33  125.017  2119.33  125.017 -0.000000 0.000000 
1 1 1  -34    0   18 o  1342.94  136.764   29.561   5.6143   29.561   5.6143   29.561   5.6143  1342.94  136.764  1342.94  136.764 -0.000000 0.000000 
1 1 1  -34    0   20 o  1047.38  157.410   18.635   4.8184   18.635   4.8184   18.635   4.8184  1047.38  157.410  1047.38  157.410 -0.000000 0.000000 
1 1 1  -34    0   22 o  366.226  205.470   2.9834   3.5547   2.9834   3.5547   2.9834   3.5547  366.226  205.470  366.226  205.470 -0.000000 0.000000 
1 1 1  -34    0   24 o  330.664  196.629   2.0110   3.5599   2.0110   3.5599   2.0110   3.5599  330.664  196.629  330.664  196.629 -0.000000 0.000000 
1 1 1  -34    0   26 o  3053.81  138.221  149.411   13.155  149.411   13.155  149.411   13.155  3053.81  138.221  3053.81  138.221 -0.000000 0.000000 
1 1 1  -34    0   28 o  461.706  224.669   5.1234   3.8158   5.1234   3.8158   5.1234   3.8158  461.706  224.669  461.706  224.669 -0.000000 0.000000 
1 1 1  -34    0   30 o  1656.86  129.018   44.429   6.6002   44.429   6.6002   44.429   6.6002  1656.86  129.018  1656.86  129.018 -0.000000 0.000000 
1 1 1  -34    0   32 o  1038.37  155.815   18.352   4.7298   18.352   4.7298   18.352   4.7298  1038.37  155.815  1038.37  155.815 -0.000000 0.000000 
1 1 1  -34    0   34 o  689.479  283.261   11.088   6.0448   11.088   6.0448   11.088   6.0448  689.479  283.261  689.479  283.261 -0.000000 0.000000 
1 1 1  -34    0   36 o  2366.68  185.828   93.173   13.576   93.173   13.576   93.173   13.576  2366.68  185.828  2366.68  185.828 -0.000000 0.000000 
1 1 1  -34    0   38 o  330.590  211.890   0.7458   4.9582   0.7458   4.9582   0.7458   4.9582  330.590  211.890  330.590  211.890 -0.000000 0.000000 
1 1 1  -34    0   40 o  830.330  274.472   14.902   6.3425   14.902   6.3425   14.902   6.3425  830.330  274.472  830.330  274.472 -0.000000 0.000000 
1 1 1  -34    0   42 o  1888.93  125.269   58.189   7.3345   58.189   7.3345   58.189   7.3345  1888.93  125.269  1888.93  125.269 -0.000000 0.000000 
1 1 1  -34    0   44 o  2642.76  135.757  114.203   11.166  114.203   11.166  114.203   11.166  2642.76  135.757  2642.76  135.757 -0.000000 0.000000 
1 1 1  -34    0   46 o  1318.10  143.880   29.301   5.7587   29.301   5.7587   29.301   5.7587  1318.10  143.880  1318.10  143.880 -0.000000 0.000000 
1 1 1  -34    0   48 o  374.125  218.318   3.2481   4.2462   3.2481   4.2462   3.2481   4.2462  374.125  218.318  374.125  218.318 -0.000000 0.000000 
1 1 1  -34    0   50 o  1277.07  143.406   27.684   5.5487   27.684   5.5487   27.684   5.5487  1277.07  143.406  1277.07  143.406 -0.000000 0.000000 
1 1 1  -34    0   52 o  1259.58  151.601   27.277   5.7498   27.277   5.7498   27.277   5.7498  1259.58  151.601  1259.58  151.601 -0.000000 0.000000 
1 1 1  -34    1    1 o  622.682  166.445   6.5917   3.3077   0.9402   4.5438   12.962   4.8243  451.628  189.733  870.002  182.896 -418.3740 263.5329 
1 1 1  -34    1    3 o  551.617  168.863   5.0515   3.1900   8.9262   4.8741   2.1482   4.2191  718.064  206.031  471.514  188.629 246.5494 279.3375 
1 1 1  -34    1    5 o  336.287  147.551  -0.5477   2.9827   2.6832   4.2598  -3.6553   4.1777  488.946  191.439  339.531  158.647 149.4147 248.6316 
1 1 1  -34    1    7 o  954.846  130.876   14.959   3.8100   13.197   5.4092   16.694   5.3674  870.945  202.230  991.393  179.512 -120.4485 270.4094 
1 1 1  -34    1    9 o  835.541  150.097   11.682   3.7826   14.897   5.1230   7.8294   5.6088  934.064  181.699  682.423  225.649 251.6411 289.7102 
1 1 1  -34    1   11 o  245.771  118.215  -3.8469   2.6717  -1.7803   3.4459  -6.9613   4.2302  333.716  151.556  296.053  143.917 37.66263 209.0009 
1 1 1  -34    1   13 o  475.844  160.904   3.5274   2.8499   5.5527   3.5099  -0.3912   4.8822  575.929  177.266  434.324  189.716 141.6048 259.6448 
1 1 1  -34    1   15 o  834.343  118.450   11.402   3.0077   11.398   4.2464   11.406   4.2606  816.411  171.559  816.520  172.071 -0.1091919 242.9839 
1 1 1  -34    1   17 o  659.207  135.669   7.2945   2.7070   11.559   3.9377   3.4732   3.7275  826.430  157.926  496.056  182.513 330.3735 241.3536 
1 1 1  -34    1   19 o  2074.39   89.207   68.513   5.7944   68.288   8.2767   68.730   8.1147  2048.38  129.712  2056.87  126.608 -8.485596 181.2586 
1 1 1  -34    1   21 o  1585.34   89.318   40.171   4.4157   36.770   6.0859   43.952   6.4169  1498.95  130.979  1642.41  125.729 -143.4534 181.5582 
1 1 1  -34    1   23 o  2153.09   87.376   73.886   5.8907   65.294   8.2610   82.774   8.4023  1997.17  132.857  2258.97  119.210 -261.7994 178.4993 
1 1 1  -34    1   25 o  3367.99  102.567  182.280   10.817  179.574   15.294  184.989   15.300  3297.19  148.134  3349.15  145.900 -51.95508 207.9195 
1 1 1  -34    1   27 o  595.466  148.835   6.1030   2.7675   6.5810   4.0834   5.6969   3.7637  614.543  191.541  576.955  184.421 37.58813 265.8926 
1 1 1  -34    1   29 o  777.571  142.167   10.300   3.3339   4.3961   6.4918   12.415   3.8854  581.115  233.446  851.293  151.304 -270.1781 278.1908 
1 1 1  -34    1   31 o  583.332  145.524   5.9244   2.6493   3.2564   3.8935   8.2246   3.6153  481.873  184.532  679.141  170.313 -197.2683 251.1150 
1 1 1  -34    1   33 o  984.944  124.757   16.353   3.7614   16.159   6.8630   16.437   4.4969  898.854  239.516  970.903  152.982 -72.04980 284.2030 
1 1 1  -34    1   35 f  1664.18  133.728   47.500   6.9096   44.303   9.7554   50.719   9.7881  1514.49  211.481  1645.38  193.694 -130.8812 286.7778 
1 1 1  -34    1   37 o  418.393  172.598   2.1050   3.6616   1.2196   5.1640   3.0002   5.1928  440.255  193.635  479.361  202.182 -39.10645 279.9501 
1 1 1  -34    1   39 o  577.000  187.624   6.9483   3.8838   4.2046   5.3996   9.8894   5.5903  493.551  207.060  649.060  225.182 -155.5091 305.9096 
1 1 1  -34    1   41 o  1044.82  131.263   20.160   4.1996   16.274   5.0586   28.778   7.5333  866.271  191.575  1103.67  225.601 -237.4011 295.9680 
1 1 1  -34    1   43 o  962.436  114.698   16.927   3.3885   20.864   4.6161   12.327   4.9898  1023.60  148.344  692.326  211.050 331.2718 257.9689 
1 1 1  -34    1   45 o  934.544  116.923   16.518   3.3466   17.712   4.7957   15.384   4.6724  870.557  181.798  793.574  190.456 76.98309 263.2950 
1 1 1  -34    1   47 o  782.604  142.600   13.114   3.3657   9.8832   4.9272   15.940   4.6084  539.388  207.341  779.542  190.430 -240.1540 281.5208 
1 1 1  -34    1   49 o  938.585  126.823   18.587   3.6318   17.706   5.2586   19.390   5.0219  720.033  216.030  810.786  199.232 -90.75330 293.8745 
1 1 1  -34    1   51 o  1923.10  101.846   73.817   6.1110   75.450   8.9954   72.417   8.3278  1614.39  181.069  1652.38  163.081 -37.98840 243.6826 
1 1 1  -34    1   53 o  468.624  168.756   8.0963   3.1626   6.9856   4.6919   9.0211   4.2813  361.674  168.703  415.926  179.690 -54.25174 246.4737 
1 1 1  -34    2    2 f  613.679  166.528   6.3921   3.2816   12.440   4.4408  -0.8829   4.8707  855.983  171.657  424.708  187.373 431.2751 254.1158 
1 1 1  -34    2    4 o  955.355  134.608   15.005   3.9151   20.515   5.9023   10.675   5.2317  1103.13  176.851  782.013  209.455 321.1145 274.1303 
1 1 1  -34    2    6 o  567.158  170.300   5.3779   3.2669   8.5865   4.4968   1.7914   4.7542  705.388  196.365  481.728  197.455 223.6600 278.4739 
1 1 1  -34    2    8 o  1079.10  125.132   18.970   4.1496   17.112   5.8950   20.796   5.8423  997.258  195.770  1111.81  173.481 -114.5563 261.5751 
1 1 1  -34    2   10 o  475.690  169.874   3.2966   3.1983  -3.9713   4.9199   8.6159   4.2090  371.740  173.182  706.801  187.206 -335.0606 255.0257 
1 1 1  -34    2   12 o  402.661  153.431   1.9488   2.6833   5.7679   3.4580  -3.8309   4.2540  585.236  175.091  340.346  159.368 244.8898 236.7597 
1 1 1  -34    2   14 o  310.987  133.104   0.0226   2.3079   4.9919   3.1831  -5.4844   3.3510  547.809  168.845  264.913  128.620 282.8967 212.2541 
1 1 1  -34    2   16 o  749.757  130.816   9.3364   2.9594   9.4940   4.3428   9.1998   4.0437  739.542  187.328  730.114  178.396 9.428406 258.6831 
1 1 1  -34    2   18 o  1569.20   87.188   39.273   4.2672   47.247   6.1350   31.799   5.9392  1710.29  115.230  1391.97  138.086 318.3219 179.8485 
1 1 1  -34    2   20 o  532.008  147.503   4.7846   2.5427   7.6889   3.7187   2.2345   3.4846  666.759  175.664  443.700  173.305 223.0593 246.7636 
1 1 1  -34    2   22 o  2521.33   89.988  101.364   7.1045  100.117   10.117  102.577   9.9794  2477.88  130.851  2510.83  127.349 -32.95947 182.5914 
1 1 1  -34    2   24 o  1266.81   91.070   25.751   3.5884   30.219   5.1903   21.659   4.9665  1359.68  123.250  1141.32  142.045 218.3640 188.0621 
1 1 1  -34    2   26 o  3332.91  101.297  178.540   10.572  184.908   15.052  172.340   14.851  3348.36  143.566  3228.73  146.891 119.6284 205.3974 
1 1 1  -34    2   28 o  1232.66   92.673   24.497   3.5508   22.158   5.1346   26.640   4.9156  1147.75  146.190  1271.11  125.125 -123.3589 192.4265 
1 1 1  -34    2   30 o  1302.29   96.070   27.473   3.8899   22.182   5.5306   32.654   5.4721  1136.27  159.865  1404.17  125.790 -267.8982 203.4206 
1 1 1  -34    2   32 o  2661.01  107.959  115.699   8.9954  122.397   15.821  112.499   10.935  2612.28  194.814  2590.49  135.280 21.79175 237.1777 
1 1 1  -34    2   34 o  1721.86  133.204   50.401   7.1259   51.751   10.605   49.290   9.6218  1654.55  209.383  1637.14  191.303 17.41565 283.6161 
1 1 1  -34    2   36 o  937.658  181.289   16.643   5.1302   20.706   7.3595   12.803   7.1551  983.573  240.878  750.737  254.948 232.8352 350.7433 
1 1 1  -34    2   38 o  2051.48  133.204   74.490   8.5103   81.734   12.210   67.645   11.868  2021.97  195.277  1800.20  214.789 221.7682 290.2884 
1 1 1  -34    2   40 o  671.172  167.854   9.1024   3.5185   9.4287   4.1328   8.2428   6.7073  660.729  189.756  576.198  235.165 84.53094 302.1755 
1 1 1  -34    2   42 o  2061.21  138.214   80.596   8.8689   88.568   12.737   73.094   12.357  1948.50  212.196  1704.04  238.083 244.4615 318.9208 
1 1 1  -34    2   44 o  864.750  144.671   15.063   3.7789   24.609   4.7338  -1.7063   6.2744  1117.28  138.263  370.884  179.066 746.3961 226.2326 
1 1 1  -34    2   46 o  1657.59   94.276   49.280   4.8730   50.448   6.9232   48.133   6.8602  1553.07  144.001  1509.16  147.041 43.91467 205.8089 
1 1 1  -34    2   48 o  737.045  143.999   12.001   3.2041   13.568   4.5729   10.489   4.4909  668.968  201.620  563.434  201.288 105.5337 284.8992 
1 1 1  -34    2   50 o  462.154  168.193   6.4739   3.1532   4.8930   4.4604   8.0533   4.4582  381.703  172.989  451.675  188.723 -69.97122 256.0109 
1 1 1  -34    2   52 o  449.542  164.592   6.7992   3.0262   2.4211   4.3436   10.928   4.2184  315.903  151.635  500.949  192.020 -185.0468 244.6728 
1 1 1  -34    3    1 o  249.095  116.408  -2.1006   2.2506  -1.9327   3.6456  -2.2040   2.8608  342.283  155.615  289.396  133.866 52.88663 205.2713 
1 1 1  -34    3    3 o  624.093  171.769   6.6173   3.4625   7.5878   5.0757   5.7727   4.7355  670.677  214.144  602.887  207.359 67.79059 298.0862 
1 1 1  -34    3    5 o  722.658  160.013   8.8463   3.5252   13.327   4.8257   3.7187   5.1622  883.779  180.483  548.122  211.809 335.6570 278.2751 
1 1 1  -34    3    7 o  893.002  148.539   13.272   4.0076   11.678   5.8728   14.662   5.4824  814.503  223.509  921.935  195.951 -107.4316 297.2421 
1 1 1  -34    3    9 o  877.748  121.999   12.598   3.2624   13.593   4.2664   11.197   5.0626  900.772  156.968  802.063  201.762 98.70923 255.6297 
1 1 1  -34    3   11 o  261.622  121.788  -2.1078   2.4257  -3.8737   3.5420  -0.5481   3.3289  300.400  142.126  355.880  156.021 -55.47928 211.0503 
1 1 1  -34    3   13 o  627.924  147.189   6.6641   2.8436   3.7757   3.6674   11.019   4.5031  506.978  181.814  799.635  183.709 -292.6567 258.4675 
1 1 1  -34    3   15 o  336.262  138.448   0.6729   2.3503   0.0586   3.2379   1.3569   3.4170  366.494  157.281  413.686  168.232 -47.19162 230.3021 
1 1 1  -34    3   17 o  942.063  104.410   14.358   3.0281   11.199   4.3075   17.445   4.2578  807.473  175.384  1029.06  135.426 -221.5901 221.5843 
1 1 1  -34    3   19 o  1163.84   96.548   21.758   3.4867   25.460   5.2479   18.832   4.6653  1244.52  136.933  1065.84  143.431 178.6831 198.3006 
1 1 1  -34    3   21 o  1073.63  106.317   18.659   3.5272   18.388   5.1676   18.895   4.8262  1043.33  163.556  1064.31  148.895 -20.97107 221.1793 
1 1 1  -34    3   23 o  1869.75   86.798   55.686   5.0817   60.565   7.3372   51.187   7.0450  1930.48  122.009  1770.93  127.906 159.5511 176.7658 
1 1 1  -34    3   25 o  2147.60   88.421   73.604   5.9460   72.751   8.4622   74.435   8.3567  2109.45  128.730  2136.03  125.493 -26.58276 179.7775 
1 1 1  -34    3   27 o  639.582  149.229   7.0339   2.9339   5.4298   4.5184   8.2033   3.8579  576.205  202.302  682.603  178.478 -106.3983 269.7785 
1 1 1  -34    3   29 o  1197.73   98.463   23.256   3.6600   22.760   5.3167   23.703   5.0460  1159.49  149.952  1190.24  137.951 -30.74121 203.7554 
1 1 1  -34    3   31 o  588.882  169.063   6.1445   3.2811   14.122   6.0408   2.8062   3.9077  862.992  222.213  467.461  183.267 395.5308 288.0369 
1 1 1  -34    3   33 o  319.063  143.699  -0.9842   3.0226   8.6936   5.6838  -4.8003   3.5691  672.343  227.235  280.954  135.501 391.3887 264.5676 
1 1 1  -34    3   35 o  1595.89  135.503   43.875   6.7073   49.976   9.4916   37.790   9.4794  1637.55  188.553  1374.54  228.251 263.0090 296.0585 
1 1 1  -34    3   37 o  793.986  194.603   12.648   4.8005   9.3948   7.6009   14.807   6.1918  643.139  254.496  821.375  231.046 -178.2358 343.7299 
1 1 1  -34    3   39 o  869.665  178.763   15.138   4.7053   15.861   7.9042   14.740   5.8559  757.752  267.431  800.778  224.495 -43.02631 349.1664 
1 1 1  -34    3   41 o  980.531  169.195   19.467   5.0071   18.065   7.3193   20.699   6.8647  794.992  257.503  902.785  239.062 -107.7930 351.3668 
1 1 1  -34    3   43 o  353.763  149.629   1.6533   2.8570  -0.0907   3.6939   4.2497   4.5071  336.890  154.480  449.527  188.914 -112.6377 244.0336 
1 1 1  -34    3   45 o  899.202  154.222   17.106   4.1860   14.341   4.9415   24.133   7.8770  733.444  206.438  807.285  267.434 -73.84161 337.8429 
1 1 1  -34    3   47 o  1266.31  104.647   30.046   4.1122   27.272   5.8143   32.823   5.8168  1049.08  183.694  1209.26  157.347 -160.1788 241.8709 
1 1 1  -34    3   49 o  1709.41  102.061   56.002   5.4380   54.703   7.7529   57.261   7.6295  1467.81  171.945  1537.18  160.893 -69.37354 235.4813 
1 1 1  -34    3   51 o  2644.49  112.940  146.064   9.3521  134.584   13.217  157.574   13.234  1970.41  217.868  2313.50  184.218 -343.0950 285.3117 
1 1 1  -34    4    2 o  376.897  151.517   1.1903   2.7369   2.0520   3.4954  -0.1751   4.3998  440.920  173.183  419.166  181.623 21.75378 250.9569 
1 1 1  -34    4    4 o  346.593  142.440   0.7276   2.4822  -2.5097   3.3734   4.5494   3.6653  315.191  145.646  538.219  182.476 -223.0275 233.4742 
1 1 1  -34    4    6 o  1186.75  109.882   22.687   4.0369   24.659   5.1409   19.514   6.5198  1228.89  135.872  1064.81  202.954 164.0870 244.2369 
1 1 1  -34    4    8 o  864.045  124.578   12.228   3.2731   16.480   4.0391   4.0948   5.5861  1003.16  131.776  570.412  220.358 432.7436 256.7536 
1 1 1  -34    4   10 o  412.134  153.794   2.1867   2.6644   2.8898   3.5344   1.2611   4.0551  471.122  176.871  439.702  181.536 31.42032 253.4533 
1 1 1  -34    4   12 f  905.598  123.060   13.410   3.3992   15.451   4.5175   10.747   5.1608  962.104  155.238  784.396  207.075 177.7077 258.8026 
1 1 1  -34    4   14 o  475.536  149.336   3.6744   2.4769   5.4120   3.4474   1.8202   3.5612  569.643  175.739  435.026  173.548 134.6165 246.9878 
1 1 1  -34    4   16 o  1471.00   89.751   34.524   4.1142   34.941   5.8690   34.121   5.7690  1465.42  129.226  1448.27  128.550 17.14905 182.2760 
1 1 1  -34    4   18 o  955.453  104.220   14.763   3.0674   18.233   4.6468   12.084   4.0836  1048.53  145.449  844.977  160.204 203.5541 216.3809 
1 1 1  -34    4   20 o  836.608  119.787   11.492   3.0484   11.755   4.4732   11.264   4.1654  825.628  178.250  810.955  169.498 14.67297 245.9724 
1 1 1  -34    4   22 o  1741.26   87.965   48.395   4.7806   42.684   6.9032   53.659   6.6268  1612.48  138.054  1820.69  116.856 -208.2074 180.8705 
1 1 1  -34    4   24 o  709.075  132.163   8.4274   2.8264   9.5528   4.0417   7.3502   3.9541  740.813  176.711  649.659  185.300 91.15375 256.0526 
1 1 1  -34    4   26 o  1834.46   86.669   53.697   4.9784   60.369   7.2334   47.692   6.8623  1924.88  120.620  1704.94  129.509 219.9366 176.9795 
1 1 1  -34    4   28 o  1304.79  107.563   27.694   4.3554   26.566   8.0134   28.166   5.1888  1210.67  219.467  1305.66  128.585 -94.98792 254.3611 
1 1 1  -34    4   30 o  876.375  143.891   13.091   3.8115   10.953   6.6986   14.114   4.6350  757.278  246.416  896.469  171.365 -139.1908 300.1446 
1 1 1  -34    4   32 o  1609.39  105.740   42.437   5.2990   42.451   9.9336   42.432   6.2648  1510.29  216.224  1594.21  126.540 -83.91235 250.5294 
1 1 1  -34    4   34 o  701.918  186.231   9.2852   4.1607   6.8122   7.0067   10.632   5.1711  616.910  244.273  734.968  212.602 -118.0580 323.8350 
1 1 1  -34    4   36 f  556.755  169.782   5.8362   3.2288   5.6573   4.0357   6.1544   5.3820  547.046  191.238  569.237  217.202 -22.19086 289.3938 
1 1 1  -34    4   38 o  1308.60  138.252   30.744   5.5792   40.392   8.8693   24.427   7.1770  1396.38  209.295  1064.61  222.464 331.7689 305.4416 
1 1 1  -34    4   40 o  976.700  162.984   18.666   4.8088   13.202   6.8484   23.981   6.7540  697.040  248.616  1035.56  215.312 -338.5242 328.8903 
1 1 1  -34    4   42 o  889.238  143.699   15.301   3.8647   16.371   4.8275   13.392   6.4492  870.276  182.961  678.160  241.326 192.1152 302.8416 
1 1 1  -34    4   44 o  870.010  140.516   15.038   3.6975   14.412   4.6854   16.071   6.0202  775.219  193.599  739.288  232.919 35.93036 302.8726 
1 1 1  -34    4   46 o  1111.86  131.815   24.786   4.4998   23.100   5.3135   29.063   8.4610  992.978  177.404  848.738  276.978 144.2401 328.9209 
1 1 1  -34    4   48 o  544.376  164.063   7.4848   3.0279   5.9174   4.4991   8.7826   4.0938  433.606  185.721  530.958  191.887 -97.35236 267.0449 
1 1 1  -34    4   50 o  744.937  152.833   13.450   3.4454   10.297   4.7068   17.090   5.0571  502.971  199.875  693.523  212.666 -190.5510 291.8507 
1 1 1  -34    4   52 o  923.193  132.597   20.023   3.7230   19.541   5.0310   20.606   5.5354  704.892  211.261  665.655  224.251 39.23724 308.0905 
1 1 1  -34    5    1 o  1041.15  101.951   17.426   3.2811   15.610   4.7714   19.055   4.5191  965.232  163.721  1078.43  136.911 -113.2018 213.4223 
1 1 1  -34    5    3 o  505.211  158.137   4.1552   2.7801   7.8024   3.8095   0.0000   4.0662  676.043  177.643  407.990  175.692 268.0532 249.8493 
1 1 1  -34    5    5 o  338.398  142.898   0.2847   2.5990   0.0497   3.2438   0.7061   4.3432  367.766  157.614  438.170  184.862 -70.40329 242.9327 
1 1 1  -34    5    7 o  1178.10  107.909   22.329   3.9364   23.450   4.9127   20.318   6.5794  1199.42  133.049  1088.86  200.355 110.5594 240.5086 
1 1 1  -34    5    9 o  928.101  156.423   14.383   4.3842   17.733   6.8558   12.064   5.7027  1005.29  223.574  829.823  217.008 175.4709 311.5728 
1 1 1  -34    5   11 o  639.857  151.184   6.9168   2.9810   7.5146   3.9135   6.0905   4.6009  662.886  182.681  611.938  204.456 50.94745 274.1796 
1 1 1  -34    5   13 o  705.399  131.886   8.2695   2.8060   6.9729   4.0187   9.5030   3.9197  640.033  188.081  746.016  171.399 -105.9825 254.4640 
1 1 1  -34    5   15 o  773.412  130.088   9.8944   3.0386   9.1363   4.4571   10.553   4.1533  726.331  192.773  785.610  173.475 -59.27911 259.3354 
1 1 1  -34    5   17 o  697.296  135.886   8.1261   2.8603   7.5444   4.0732   8.6920   4.0175  662.268  187.784  710.049  180.351 -47.78046 260.3636 
1 1 1  -34    5   19 o  1750.33   86.922   48.688   4.7639   49.195   6.7749   48.192   6.7002  1741.60  125.066  1723.71  124.988 17.89563 176.8145 
1 1 1  -34    5   21 o  777.287  127.597   10.009   2.9978   10.932   4.4883   9.2657   4.0279  793.561  184.178  731.820  177.579 61.74115 255.8440 
1 1 1  -34    5   23 o  1247.24   95.157   24.982   3.6882   19.784   5.1785   30.334   5.2542  1085.39  156.927  1363.48  124.439 -278.0941 200.2774 
1 1 1  -34    5   25 o  1689.43   88.222   45.643   4.6508   51.432   6.7068   40.280   6.4548  1777.48  121.224  1566.01  132.889 211.4774 179.8748 
1 1 1  -34    5   27 o  1514.54  105.101   37.132   4.9535   47.493   9.1484   32.834   5.8919  1665.47  178.190  1408.67  135.237 256.7974 223.6979 
1 1 1  -34    5   29 o  1736.82  102.853   48.893   5.5686   47.735   10.400   49.358   6.5936  1634.58  207.892  1733.03  122.291 -98.44946 241.1930 
1 1 1  -34    5   31 o  874.789  135.096   12.988   3.5813   4.5783   6.8152   16.196   4.2093  583.448  237.464  974.925  142.063 -391.4770 276.7150 
1 1 1  -34    5   33 o  839.529  176.696   12.849   4.4979   15.555   6.7532   10.692   6.0301  876.473  239.331  731.650  233.390 144.8229 334.2907 
1 1 1  -34    5   35 o  481.070  168.630   4.0229   3.1389   4.3506   4.2100   3.6127   4.7101  508.099  192.526  495.013  198.851 13.08591 276.7815 
1 1 1  -34    5   37 o  480.265  168.615   4.2078   3.1389   0.6534   4.2721   8.3782   4.6274  399.409  175.885  634.474  204.669 -235.0647 269.8605 
1 1 1  -34    5   39 o  1192.90  151.814   26.649   5.5422   26.972   8.1090   26.366   7.5921  1062.46  248.224  1076.36  232.090 -13.90002 339.8248 
1 1 1  -34    5   41 o  1153.42  122.049   24.043   4.3410   26.015   5.3660   20.309   7.3847  1160.99  151.195  859.061  255.610 301.9266 296.9789 
1 1 1  -34    5   43 o  638.639  173.604   9.0142   3.5627   7.1120   4.7107   11.556   5.4458  528.448  202.830  645.749  222.351 -117.3014 300.9651 
1 1 1  -34    5   45 o  1339.88   99.264   32.194   4.1350   29.902   5.9596   34.322   5.7419  1166.19  168.055  1298.94  143.573 -132.7395 221.0335 
1 1 1  -34    5   47 o  409.704  171.133   4.1454   3.6643   2.9782   4.3191   7.1432   6.9218  383.166  172.247  447.128  207.321 -63.96170 269.5381 
1 1 1  -34    5   49 o  2149.44   99.380   87.320   6.6887   87.126   9.4080   87.517   9.5113  1909.45  158.793  1904.84  160.973 4.608398 226.1135 
1 1 1  -34    5   51 o  512.297  164.261   7.6592   2.9840   7.6520   4.0137   7.6681   4.4619  444.243  181.682  426.604  183.873 17.63910 258.4915 
1 1 1  -34    6    2 o  517.402  165.772   4.3239   3.0396   5.2938   3.9130   2.8482   4.8267  572.633  188.434  514.216  203.018 58.41669 276.9904 
1 1 1  -34    6    4 o  568.674  160.615   5.4254   2.9859   5.0561   3.7799   6.0383   4.8695  561.231  185.226  615.644  210.316 -54.41260 280.2527 
1 1 1  -34    6    6 o  581.951  162.616   5.6965   3.0778   4.4612   3.8652   7.8370   5.0880  539.720  187.241  681.183  214.052 -141.4634 284.3895 
1 1 1  -34    6    8 o  760.878  133.996   9.5818   3.0758   14.569   3.9387   1.7863   4.9244  941.108  137.734  489.192  200.788 451.9158 243.4881 
1 1 1  -34    6   10 o  551.399  166.231   5.0474   3.1081   4.2145   4.0300   6.2700   4.8829  534.078  190.691  623.327  210.617 -89.24878 284.1176 
1 1 1  -34    6   12 f  738.742  123.074   8.9810   2.7468   11.143   4.0628   7.1606   3.7278  811.651  165.472  648.217  178.153 163.4341 243.1447 
1 1 1  -34    6   14 f  866.117  113.019   12.196   2.9920   7.4875   4.3729   16.340   4.1028  662.312  196.613  997.672  134.782 -335.3598 238.3757 
1 1 1  -34    6   16 o  472.069  150.937   3.5860   2.5209   2.4581   3.6904   4.5729   3.4518  461.276  178.852  534.190  177.039 -72.91367 251.6563 
1 1 1  -34    6   18 o  1270.22   93.407   25.810   3.6891   25.856   5.2661   25.765   5.1695  1256.71  135.996  1255.43  133.553 1.274292 190.6078 
1 1 1  -34    6   20 o  1416.61   91.932   32.075   4.0558   28.539   5.9032   35.236   5.5819  1315.55  145.755  1473.88  122.047 -158.3325 190.1050 
1 1 1  -34    6   22 o  3440.87  101.928  189.451   10.982  204.862   15.608  174.339   15.455  3543.69  140.660  3258.59  151.468 285.0972 206.7070 
1 1 1  -34    6   24 f  958.201   99.536   14.847   2.9429   18.348   4.4970   12.225   3.8919  1051.21  140.110  850.605  151.686 200.6096 206.4927 
1 1 1  -34    6   26 o  1084.80  109.901   19.160   3.6816   12.482   7.0339   21.680   4.3206  818.687  250.769  1149.69  121.877 -331.0044 278.8175 
1 1 1  -34    6   28 o  433.658  158.755   2.7023   2.8152   1.5497   6.3144   2.9882   3.1451  516.833  220.658  455.263  167.627 61.57034 277.1080 
1 1 1  -34    6   30 o  365.931  152.855   0.7954   2.9235  -6.9659   6.5590   2.7197   3.2659  392.835  187.971  445.890  169.421 -53.05554 253.0547 
1 1 1  -34    6   32 o  2042.42  126.233   69.688   8.0334   78.806   11.713   61.590   11.039  2107.31  179.217  1843.45  194.153 263.8573 264.2238 
1 1 1  -34    6   34 o  1676.55  106.184   46.601   5.5455   49.651   7.0731   41.735   8.9339  1703.59  133.669  1492.15  195.947 211.4349 237.1973 
1 1 1  -34    6   36 o  1052.39  124.063   19.141   4.0097   18.990   5.2253   19.356   6.2531  1007.56  171.786  978.258  210.389 29.29877 271.6133 
1 1 1  -34    6   38 o  825.684  185.608   13.706   4.6820   14.309   6.9356   13.202   6.3464  760.107  250.902  744.301  239.645 15.80646 346.9606 
1 1 1  -34    6   40 o  1313.61  153.226   32.880   6.1841   30.835   9.3583   34.466   8.2395  1060.48  278.314  1237.69  220.697 -177.2112 355.1987 
1 1 1  -34    6   42 o  1415.11  118.039   36.208   5.1826   41.320   6.5641   27.748   8.4449  1463.86  145.117  977.733  267.905 486.1320 304.6842 
1 1 1  -34    6   44 o  1505.53  117.210   41.940   5.4819   41.184   6.8259   43.313   9.2005  1409.96  157.289  1261.12  241.789 148.8470 288.4470 
1 1 1  -34    6   46 o  959.966  133.008   18.474   3.8907   17.332   5.6896   19.477   5.3322  763.273  223.649  872.414  199.528 -109.1407 299.7171 
1 1 1  -34    6   48 o  1230.16  134.618   31.781   5.1008   29.597   6.0800   36.971   9.3724  1071.53  188.071  858.762  291.789 212.7720 347.1475 
1 1 1  -34    6   50 o  855.944  143.347   16.812   3.7061   19.144   5.4988   14.871   5.0167  719.539  221.944  627.330  213.476 92.20825 307.9466 
1 1 1  -34    7    1 o  1116.09  118.877   20.167   4.0905   19.870   5.1841   20.658   6.6585  1095.25  155.530  1098.30  201.022 -3.041992 254.1642 
1 1 1  -34    7    3 o  694.900  155.606   8.1424   3.3016   9.0508   4.4624   7.0437   4.9076  725.821  193.006  651.543  210.837 74.27820 285.8380 
1 1 1  -34    7    5 o  917.465  130.654   13.783   3.6474   18.010   4.6498   7.0214   5.8808  1045.92  145.953  664.048  230.925 381.8750 273.1827 
1 1 1  -34    7    7 o  1087.77  116.893   19.130   3.9190   23.933   4.9601   11.149   6.3935  1212.88  132.771  799.158  237.850 413.7206 272.3987 
1 1 1  -34    7    9 o  1329.78  107.946   28.378   4.4559   31.268   5.6478   23.612   7.2519  1388.37  131.482  1175.45  204.453 212.9121 243.0813 
1 1 1  -34    7   11 o  1027.26  104.000   16.976   3.2992   11.622   4.7465   21.980   4.5890  823.067  188.258  1162.89  128.155 -339.8235 227.7386 
1 1 1  -34    7   13 o  451.882  152.699   3.1370   2.5666   7.1018   3.7823  -0.2471   3.4943  646.017  180.180  373.160  161.774 272.8569 242.1475 
1 1 1  -34    7   15 o  381.836  145.627   1.7143   2.4186   3.3699   3.8143   0.6011   3.1279  497.439  184.331  377.341  157.906 120.0981 242.7180 
1 1 1  -34    7   17 o  1139.54   98.384   20.831   3.4761   16.313   5.0067   25.035   4.8299  984.055  168.548  1241.02  126.042 -256.9647 210.4635 
1 1 1  -34    7   19 o  1757.08   86.780   49.027   4.7745   53.045   7.1013   45.712   6.4499  1809.56  126.116  1680.46  123.441 129.1044 176.4735 
1 1 1  -34    7   21 o  1123.20   98.044   20.278   3.4136   23.348   5.1654   17.898   4.5485  1190.09  141.379  1039.24  143.615 150.8561 201.5274 
1 1 1  -34    7   23 o  1621.51  101.673   42.245   5.1362   38.025   9.2543   44.124   6.1744  1482.09  204.891  1648.95  120.417 -166.8529 237.6562 
1 1 1  -34    7   25 o  807.128  137.442   10.915   3.3491   6.1324   6.3427   12.764   3.9437  632.201  237.018  869.180  150.344 -236.9795 280.6793 
1 1 1  -34    7   27 o  2142.72  101.024   73.859   6.7781   77.500   12.070   72.181   8.1916  2125.09  183.184  2100.05  125.141 25.04224 221.8479 
1 1 1  -34    7   29 o  923.062  173.191   14.937   4.8219   13.640   7.4610   15.867   6.3189  835.520  258.661  922.997  221.468 -87.47693 340.5200 
1 1 1  -34    7   31 o  2046.54  105.080   68.441   6.7110   67.503   8.2972   70.217   11.413  2007.67  132.732  1988.12  185.467 19.54846 228.0702 
1 1 1  -34    7   33 o  978.223  133.851   16.424   3.9924   13.508   5.0279   21.399   6.5678  846.299  193.895  1061.78  204.971 -215.4821 282.1490 
1 1 1  -34    7   35 o  1053.78  132.416   19.290   4.2728   18.928   5.4865   19.847   6.8113  1003.07  181.358  981.989  226.182 21.08044 289.9121 
1 1 1  -34    7   37 o  733.532  159.644   10.133   3.5627   12.929   4.4546   5.1693   5.9348  813.599  179.657  536.049  220.270 277.5505 284.2456 
1 1 1  -34    7   39 o  755.689  166.252   11.209   3.8271   14.474   4.8934   6.0670   6.1414  834.480  191.352  539.476  223.122 295.0034 293.9370 
1 1 1  -34    7   41 o  658.308  192.230   9.6750   4.2098   13.231   6.6227   7.2639   5.4533  689.018  244.619  548.890  216.083 140.1287 326.3901 
1 1 1  -34    7   43 o  595.709  178.102   8.0083   3.5789   8.4685   4.6814   7.3610   5.5517  574.605  205.486  526.438  214.300 48.16681 296.8993 
1 1 1  -34    7   45 o  426.371  161.955   3.9701   2.9838   3.3162   4.5356   4.4691   3.9618  413.009  181.566  439.519  180.214 -26.50986 255.8189 
1 1 1  -34    7   47 o  433.073  166.755   4.6350   3.1908   6.1770   4.6898   3.3060   4.3539  456.470  192.313  393.060  175.080 63.41043 260.0718 
1 1 1  -34    7   49 f  1019.57  123.345   21.368   3.8577   17.947   5.6212   24.414   5.3040  706.788  225.324  970.852  181.137 -264.0643 289.1045 
1 1 1  -34    7   51 o  1495.49  107.040   45.145   4.9793   46.714   7.2349   43.734   6.8633  1267.59  187.976  1246.29  181.178 21.30151 261.0756 
1 1 1  -34    8    2 o  411.620  172.471   0.7250   3.7386   2.2450   6.1126  -0.1834   4.7256  541.502  223.150  434.239  188.190 107.2630 291.9097 
1 1 1  -34    8    4 o  1134.89  117.353   20.808   4.1101   25.457   5.2652   13.556   6.5759  1250.02  136.748  877.256  234.767 372.7650 271.6901 
1 1 1  -34    8    6 o  1099.89  119.134   19.570   4.0374   16.693   5.3350   23.427   6.1766  995.374  177.690  1185.87  171.306 -190.4932 246.8192 
1 1 1  -34    8    8 o  1172.55   95.587   21.971   3.4790   22.734   5.2648   21.379   4.6352  1177.53  145.913  1146.28  131.519 31.24646 196.4381 
1 1 1  -34    8   10 o  1037.76  116.213   17.420   3.7115   18.347   4.8415   16.099   5.7800  1054.22  150.980  969.551  197.103 84.66669 248.2830 
1 1 1  -34    8   12 o  745.245  124.287   9.1323   2.7981   7.0633   4.2707   10.689   3.7039  646.832  194.823  799.016  153.622 -152.1844 248.1042 
1 1 1  -34    8   14 o  884.759  107.993   12.666   2.9298   19.354   4.5361   7.8800   3.8375  1087.53  136.192  679.355  178.191 408.1787 224.2774 
1 1 1  -34    8   16 o  1483.79   89.120   35.063   4.1214   41.343   6.0410   29.594   5.6371  1600.49  121.447  1347.55  135.429 252.9326 181.9077 
1 1 1  -34    8   18 o  1375.31   90.563   30.178   3.8782   31.187   5.6920   29.304   5.2984  1383.58  133.023  1342.93  127.532 40.65564 184.2815 
1 1 1  -34    8   20 o  1288.63   92.404   26.555   3.7037   31.496   5.4382   22.280   5.0582  1391.98  126.139  1163.00  141.837 228.9850 189.8123 
1 1 1  -34    8   22 o  1048.49  116.440   17.894   3.7583   18.452   7.1873   17.684   4.4091  1013.68  231.515  1033.78  139.794 -20.10394 270.4471 
1 1 1  -34    8   24 o  527.623  163.265   4.6565   2.9729   7.7325   5.7881   3.5542   3.4649  673.282  229.301  489.954  176.614 183.3278 289.4327 
1 1 1  -34    8   26 o  557.284  190.435   5.0936   3.9924  -0.2222   5.8562   9.7095   5.4570  470.150  206.508  733.402  220.074 -263.2527 301.7911 
1 1 1  -34    8   28 o  829.249  177.764   12.133   4.4771   19.710   7.4135   7.7840   5.6170  1024.62  235.945  662.259  225.886 362.3588 326.6415 
1 1 1  -34    8   30 o  1393.44  109.338   31.854   4.7323   29.565   6.0215   35.552   7.6533  1317.29  148.579  1424.21  175.318 -106.9240 229.8088 
1 1 1  -34    8   32 o  423.108  165.245   2.3362   3.1678   3.1790   4.2995   1.3354   4.6851  483.198  191.343  445.983  190.232 37.21500 269.8154 
1 1 1  -34    8   34 o  1271.69  117.600   27.308   4.6298   29.678   5.7664   23.008   7.7664  1303.59  143.653  1051.92  240.963 251.6727 280.5341 
1 1 1  -34    8   36 o  618.372  175.579   7.3975   3.5584   8.3769   4.4974   5.7580   5.8187  641.429  201.193  556.576  221.901 84.85303 299.5309 
1 1 1  -34    8   38 o  341.251  151.320   0.0536   3.2163  -2.1254   4.5543   2.2215   4.5427  353.354  165.281  437.151  186.913 -83.79724 249.5079 
1 1 1  -34    8   40 o  531.472  176.605   5.8475   3.4341   0.4612   4.5945   12.666   5.1693  391.099  176.559  743.883  211.763 -352.7832 275.7111 
1 1 1  -34    8   42 o  416.793  180.829   2.4904   4.3727   6.1802   7.1497   0.2856   5.5268  511.317  226.227  399.418  185.219 111.8987 292.3776 
1 1 1  -34    8   44 o  509.669  171.936   5.9097   3.2540   3.6807   4.6106   8.1219   4.5932  432.023  186.558  555.411  202.864 -123.3880 275.6046 
1 1 1  -34    8   46 o  992.543  126.796   19.244   3.8506   25.070   5.5213   13.727   5.3730  1050.30  173.974  673.176  220.771 377.1239 281.0818 
1 1 1  -34    8   48 f  1025.74  118.563   20.754   3.7379   22.819   5.3110   18.728   5.2617  950.011  185.191  810.482  206.687 139.5293 277.5162 
1 1 1  -34    8   50 o  307.717  141.819   1.0358   3.1675   2.6858   4.9230  -0.1297   4.1376  353.534  167.351  306.710  147.426 46.82458 223.0262 
1 1 1  -34    9    1 o  551.846  187.640   4.7857   3.8758   4.7857   3.8758   0.0000   0.0000  551.846  187.640  ?   ?  0.000000 187.6400 
1 1 1  -34    9    3 o  898.319  170.547   13.605   4.6218   22.123   7.9974   9.3336   5.6633  1122.71  235.031  736.839  224.891 385.8674 325.2937 
1 1 1  -34    9    5 o  581.071  168.079   5.6528   3.2321   3.2840   4.4230   8.3669   4.7345  514.976  196.805  699.813  203.719 -184.8369 283.2555 
1 1 1  -34    9    7 o  483.733  148.681   3.8058   2.4702  -0.0770   3.7905   6.6721   3.2568  393.403  169.519  628.365  163.835 -234.9620 235.7512 
1 1 1  -34    9    9 o  396.440  150.574   1.8720   2.5790   5.4979   4.3001  -0.1651   3.2231  587.864  197.654  361.286  155.997 226.5779 251.7975 
1 1 1  -34    9   11 o  543.668  149.281   4.9427   2.6188   2.8961   3.9115   6.6055   3.5257  485.639  185.199  625.092  173.824 -139.4521 253.9952 
1 1 1  -34    9   13 o  855.145  141.225   12.096   3.6495   11.021   4.6698   13.783   5.8497  801.332  189.149  890.000  212.788 -88.66852 284.7032 
1 1 1  -34    9   15 o  699.575  154.644   8.2549   3.2975   7.9495   4.3588   8.6636   5.0420  681.602  194.602  710.175  211.188 -28.57281 287.1765 
1 1 1  -34    9   17 o  1506.01  106.088   36.376   4.9708   37.242   6.2444   34.879   8.2130  1513.74  133.094  1439.65  186.579 74.09204 229.1850 
1 1 1  -34    9   19 o  1870.08  101.769   55.962   5.9368   55.810   7.4229   56.230   9.8903  1855.74  128.535  1837.35  173.982 18.39160 216.3120 
1 1 1  -34    9   21 o  1558.03  131.537   39.570   6.3571   31.386   9.2896   46.778   8.7182  1332.99  230.930  1674.51  168.566 -341.5184 285.9073 
1 1 1  -34    9   23 o  917.824  160.365   14.269   4.4410   10.717   6.8476   16.848   5.8345  772.863  248.936  982.399  196.533 -209.5362 317.1664 
1 1 1  -34    9   25 o  1593.47  136.388   41.839   6.7396   27.215   10.033   53.863   9.0978  1194.55  274.057  1790.15  164.131 -595.6090 319.4465 
1 1 1  -34    9   27 o  309.696  140.359  -1.3522   2.9367   3.2121   4.2525  -5.5133   4.0604  495.421  192.020  301.684  145.260 193.7375 240.7739 
1 1 1  -34    9   29 o  569.583  176.708   5.6974   3.4801   9.2613   4.4370  -0.0000   5.6099  712.241  193.789  457.449  201.492 254.7917 279.5587 
1 1 1  -34    9   31 o  1214.42  112.761   24.443   4.2390   25.239   5.4010   23.167   6.8404  1212.98  145.080  1117.49  202.965 95.49377 249.4854 
1 1 1  -34    9   33 o  389.971  162.445   1.2808   3.2889  -1.7068   4.2028   6.0004   5.2824  359.802  164.909  577.717  216.358 -217.9154 272.0402 
1 1 1  -34    9   35 o  780.526  159.114   11.187   3.7569   8.3361   4.7356   16.028   6.1711  642.723  207.017  877.630  223.851 -234.9069 304.9018 
1 1 1  -34    9   37 o  405.579  165.401   2.1077   3.3148   1.2037   4.6020   3.0824   4.7785  420.480  183.917  468.536  195.544 -48.05508 268.4450 
1 1 1  -34    9   39 o  634.212  184.432   8.3591   3.8823   10.196   5.0450   5.6921   6.0792  671.474  213.401  532.282  221.217 139.1920 307.3716 
1 1 1  -34    9   41 o  738.053  148.142   10.507   3.3046   12.941   4.8747   8.4369   4.4952  757.748  201.835  603.758  202.092 153.9902 285.6190 
1 1 1  -34    9   43 o  750.048  172.737   12.029   3.9731   14.705   7.6763   11.049   4.6435  658.770  257.248  673.185  203.236 -14.41425 327.8433 
1 1 1  -34    9   45 o  881.305  144.398   15.670   3.8468   14.140   5.6140   17.024   5.2814  696.736  225.505  822.528  205.618 -125.7918 305.1743 
1 1 1  -34    9   47 o  748.588  156.904   12.390   3.5602   9.0942   4.9139   16.031   5.1653  534.915  206.667  752.836  210.768 -217.9212 295.1851 
1 1 1  -34    9   49 o  944.023  175.431   22.274   4.9948   25.387   6.0719   15.760   8.7843  918.937  214.862  494.043  230.576 424.8943 315.1684 
1 1 1  -34   10    2 o  464.538  183.276   2.2507   3.9311   2.2507   3.9311   0.0000   0.0000  464.538  183.276  ?   ?  0.000000 183.2758 
1 1 1  -34   10    4 o  759.152  172.712   9.7993   4.0130   15.254   6.9750   7.1003   4.9064  928.273  238.645  653.619  210.738 274.6538 318.3740 
1 1 1  -34   10    6 o  347.148  147.942   0.1221   2.8290  -0.7879   4.1297   0.9267   3.8833  393.301  173.069  424.330  176.617 -31.02850 247.2781 
1 1 1  -34   10    8 o  799.794  143.303   10.617   3.4570   9.5476   4.6353   11.957   5.1893  745.441  195.991  832.548  201.279 -87.10785 280.9367 
1 1 1  -34   10   10 o  642.932  167.620   7.0002   3.4092   6.0785   4.4495   8.3103   5.3050  611.577  200.922  700.492  218.317 -88.91528 296.7020 
1 1 1  -34   10   12 o  662.284  168.370   7.4430   3.4993   8.5217   4.6413   6.0224   5.3265  705.270  200.619  623.627  219.595 81.64398 297.4387 
1 1 1  -34   10   14 o  1271.59  114.888   26.058   4.5251   23.874   5.7607   29.576   7.3119  1202.04  156.786  1329.41  180.304 -127.3678 238.9382 
1 1 1  -34   10   16 o  605.963  164.995   6.2162   3.2150   6.6176   4.2936   5.7038   4.8506  628.430  196.495  602.928  209.722 25.50159 287.3909 
1 1 1  -34   10   18 o  1223.97  143.570   24.621   5.3979   23.026   8.6022   25.657   6.9327  1132.80  249.279  1231.19  185.594 -98.38440 310.7818 
1 1 1  -34   10   20 o  1299.43  146.400   27.841   5.8530   28.950   9.0126   27.032   7.6969  1278.91  233.668  1252.22  203.268 26.69019 309.7073 
1 1 1  -34   10   22 o  900.005  172.980   13.869   4.6977   13.719   7.7895   13.954   5.8893  862.281  263.857  885.311  214.664 -23.02960 340.1487 
1 1 1  -34   10   24 o  942.904  135.417   14.789   3.8834   8.8455   5.0617   23.292   6.0545  705.641  212.001  1169.76  170.296 -464.1155 271.9283 
1 1 1  -34   10   26 o  772.836  153.228   10.250   3.5770   11.821   4.4602   7.4186   5.9883  819.932  178.765  657.208  232.684 162.7236 293.4265 
1 1 1  -34   10   28 o  793.926  149.692   10.860   3.5848   16.333   4.6961   3.2183   5.5495  972.270  159.808  527.275  214.406 444.9952 267.4105 
1 1 1  -34   10   30 o  2105.93  106.110   72.579   6.9746   71.308   8.6248   74.980   11.856  2060.73  134.398  2050.97  186.661 9.760986 230.0113 
1 1 1  -34   10   32 o  647.740  168.118   7.6674   3.4395   6.6511   4.5054   9.0873   5.3252  598.341  202.311  681.171  219.539 -82.83002 298.5420 
1 1 1  -34   10   34 o  1099.45  133.577   20.933   4.5041   20.009   5.7793   22.362   7.1884  1031.28  185.805  1051.01  225.206 -19.72363 291.9612 
1 1 1  -34   10   36 o  764.271  187.436   11.493   4.4514   17.642   7.1919   7.6748   5.6674  881.327  249.394  607.881  224.801 273.4456 335.7571 
1 1 1  -34   10   38 o  773.947  141.775   10.962   3.3092   17.267   5.2307   6.7539   4.2730  930.876  185.961  571.301  196.945 359.5753 270.8667 
1 1 1  -34   10   40 o  507.729  168.048   5.1631   3.1105   7.9252   4.6736   2.9667   4.1676  592.647  205.876  438.822  182.835 153.8258 275.3427 
1 1 1  -34   10   42 o  594.620  170.816   7.4882   3.3486   10.435   4.7204   4.5029   4.7509  661.650  205.892  472.949  195.977 188.7010 284.2504 
1 1 1  -34   10   44 o  728.651  178.493   11.798   4.0403   18.306   7.7537   9.3726   4.7338  725.907  263.813  599.248  207.252 126.6586 335.4857 
1 1 1  -34   10   46 f  450.789  172.509   4.7994   3.4012   12.380   4.8151  -2.7497   4.8050  671.667  207.773  320.327  155.166 351.3402 259.3182 
1 1 1  -34   10   48 o  563.545  177.540   8.3198   3.4978   9.3234   5.3081   7.5496   4.6502  512.820  209.239  486.399  196.810 26.42078 287.2546 
1 1 1  -34   11    1 o  729.834  197.265   9.2422   4.6155   9.2422   4.6155   0.0000   0.0000  729.834  197.265  ?   ?  0.000000 197.2648 
1 1 1  -34   11    3 o  363.073  153.611   0.3299   3.0125  -0.5827   4.1091   1.3904   4.4296  395.992  173.481  459.013  189.639 -63.02142 257.0188 
1 1 1  -34   11    5 o  459.498  182.987   2.0511   3.9527   2.7695   6.5769   1.6449   4.9456  567.528  232.389  486.338  200.604 81.18924 306.9958 
1 1 1  -34   11    7 o  638.247  164.242   6.8980   3.3015   8.3994   4.2193   4.5271   5.3022  700.580  188.293  577.114  216.639 123.4656 287.0305 
1 1 1  -34   11    9 o  624.458  169.295   6.5968   3.3934   5.2281   4.4714   8.4557   5.2110  580.873  201.397  704.611  215.844 -123.7380 295.2109 
1 1 1  -34   11   11 o  419.297  167.073   1.6357   3.2968  -3.0757   4.4119   7.5930   4.9610  362.415  167.150  671.893  211.402 -309.4779 269.4992 
1 1 1  -34   11   13 o  764.531  160.795   9.8620   3.7273   7.3805   5.0209   12.908   5.5630  664.315  213.077  861.859  208.422 -197.5435 298.0631 
1 1 1  -34   11   15 o  342.253  156.654  -2.3019   3.7750  -5.8189   6.4894  -0.5029   4.6411  416.542  195.617  422.876  184.837 -6.333740 269.1301 
1 1 1  -34   11   17 f  1751.06  135.858   49.869   7.3908   46.071   11.293   52.714   9.7746  1629.82  227.493  1777.47  178.016 -147.6471 288.8647 
1 1 1  -34   11   19 o  987.479  175.803   16.580   5.2366   15.362   8.7015   17.271   6.5569  911.563  278.866  989.560  217.540 -77.99689 353.6803 
1 1 1  -34   11   21 o  431.688  178.346   1.2768   3.9176  -2.4672   7.1712   2.8695   4.6772  484.568  219.499  504.986  199.698 -20.41827 296.7477 
1 1 1  -34   11   23 o  520.423  172.763   4.4179   3.2866   5.8452   4.4129   2.6399   4.9251  592.924  200.225  503.973  203.026 88.95068 285.1482 
1 1 1  -34   11   25 o  753.474  157.119   9.7823   3.5869   8.0961   4.7439   12.033   5.4807  673.976  205.858  812.959  212.811 -138.9830 296.0847 
1 1 1  -34   11   27 o  990.195  139.457   16.538   4.2041   18.510   5.4167   13.551   6.6673  1029.11  174.319  841.133  240.859 187.9793 297.3216 
1 1 1  -34   11   29 o  918.326  139.094   14.376   3.8744   17.761   4.8277   8.2511   6.4942  1011.64  157.534  669.621  241.730 342.0157 288.5311 
1 1 1  -34   11   31 o  871.471  146.518   13.225   3.8563   13.488   5.0593   12.860   5.9573  849.489  194.406  806.438  226.555 43.05139 298.5313 
1 1 1  -34   11   33 o  590.053  163.936   6.3868   3.1374   3.2510   5.0552   8.3515   4.0013  496.944  203.642  663.563  185.411 -166.6183 275.4037 
1 1 1  -34   11   35 o  1166.35  123.865   23.361   4.4545   21.932   8.2416   23.950   5.2944  984.289  262.562  1158.91  149.377 -174.6208 302.0794 
1 1 1  -34   11   37 o  508.884  164.762   4.8788   2.9968  -0.8470   4.6296   9.0083   3.9316  381.777  174.263  674.135  182.002 -292.3580 251.9764 
1 1 1  -34   11   39 o  633.816  165.947   7.9121   3.3322   3.4113   4.8621   11.899   4.5758  468.840  196.578  755.224  192.829 -286.3836 275.3647 
1 1 1  -34   11   41 o  985.520  130.783   17.752   3.9362   19.684   5.4732   15.682   5.6649  971.540  186.696  822.205  216.903 149.3345 286.1860 
1 1 1  -34   11   43 o  541.540  169.960   6.3118   3.2089   2.6423   4.4951   10.125   4.5822  420.629  182.918  648.004  203.055 -227.3743 273.2952 
1 1 1  -34   11   45 o  758.510  171.279   12.618   3.9718   13.500   5.5577   11.697   5.6782  688.819  224.467  625.716  226.010 63.10254 318.5373 
1 1 1  -34   11   47 o  350.060  159.844   1.1129   3.8997   0.6319   4.6445   2.2625   7.1798  356.313  166.742  406.595  195.111 -50.28162 256.6539 
1 1 1  -34   12    2 o  857.687  125.433   12.081   3.2691   14.665   4.9376   10.065   4.3621  928.072  176.356  763.530  184.509 164.5420 255.2353 
1 1 1  -34   12    4 o  678.222  139.089   7.6991   2.8547   7.8597   4.3670   7.5793   3.7723  676.712  195.266  665.510  177.685 11.20258 264.0097 
1 1 1  -34   12    6 o  688.776  164.544   8.0630   3.5001   0.4373   7.1556   10.461   4.0130  537.837  232.332  785.032  168.308 -247.1946 286.8900 
1 1 1  -34   12    8 o  609.871  151.273   6.2760   2.8748   0.9106   4.3559   10.417   3.8265  443.809  186.072  785.812  160.927 -342.0030 246.0091 
1 1 1  -34   12   10 f  437.712  159.721   2.6241   2.8463   0.1407   4.3936   4.4200   3.7363  426.497  183.126  534.887  184.175 -108.3899 259.7222 
1 1 1  -34   12   12 o  307.260  142.080  -2.4399   3.2185  -4.0503   4.2193  -0.1990   4.9772  335.792  157.708  444.189  192.820 -108.3969 249.1007 
1 1 1  -34   12   14 o  1070.01  122.827   18.620   4.0407   13.351   8.5281   20.145   4.5884  862.913  277.795  1109.38  134.861 -246.4710 308.8000 
1 1 1  -34   12   16 o  510.584  170.951   4.1260   3.2166   0.4402   6.8936   5.1518   3.6367  527.287  227.907  560.951  181.492 -33.66418 291.3432 
1 1 1  -34   12   18 o  743.503  161.223   9.4117   3.6453   12.390   8.2235   8.6832   4.0666  829.588  273.177  708.664  182.239 120.9236 328.3850 
1 1 1  -34   12   20 o  935.601  115.671   14.293   3.3165   15.088   5.1725   13.738   4.3218  935.056  183.216  901.211  158.961 33.84473 242.5626 
1 1 1  -34   12   22 o  411.770  156.771   2.1192   2.7999   7.9677   4.4128  -1.8221   3.6225  673.670  196.837  340.534  154.937 333.1360 250.5003 
1 1 1  -34   12   24 o  1201.53  104.414   23.420   3.8893   24.000   6.0393   23.009   5.0839  1185.57  167.335  1174.40  141.072 11.16296 218.8666 
1 1 1  -34   12   26 o  545.173  159.157   5.1381   2.8861   6.4398   4.4856   4.2185   3.7701  607.883  201.833  516.258  184.428 91.62488 273.4052 
1 1 1  -34   12   28 o  918.677  122.057   14.097   3.4242   17.473   5.4182   11.852   4.4183  990.421  181.395  813.505  178.368 176.9162 254.4000 
1 1 1  -34   12   30 o  474.673  160.277   3.7796   2.8277   5.8351   4.2460   2.1413   3.7906  573.347  196.388  439.281  177.709 134.0664 264.8558 
1 1 1  -34   12   32 o  1227.85  101.468   24.861   3.8662   27.403   5.7907   22.816   5.1932  1253.26  150.577  1144.12  148.458 109.1343 211.4552 
1 1 1  -34   12   34 o  724.942  160.031   9.6082   3.5354   5.0285   6.5576   11.485   4.1978  561.571  231.241  783.634  175.445 -222.0623 290.2642 
1 1 1  -34   12   36 o  482.661  168.815   4.1808   3.1450   9.4891   4.6641  -0.2450   4.2588  682.107  203.182  383.205  171.740 298.9021 266.0405 
1 1 1  -34   12   38 o  555.257  172.298   6.0357   3.3083   3.4334   4.7606   8.4664   4.6009  474.490  196.360  632.350  204.091 -157.8600 283.2142 
1 1 1  -34   12   40 o  802.963  150.339   12.178   3.6410   13.200   5.2551   11.235   5.0494  769.193  211.572  705.775  211.676 63.41772 299.2812 
1 1 1  -34   12   42 o  757.417  159.388   11.399   3.6605   19.237   5.4167   4.8107   4.9660  952.009  188.379  486.915  200.949 465.0945 275.4399 
1 1 1  -34   12   44 o  290.756  136.817  -1.6536   3.2017  -2.5315   4.2443  -0.4945   4.8770  317.916  151.872  366.596  171.333 -48.68063 228.9542 
1 1 1  -34   12   46 o  394.427  172.264   2.6558   4.0240   7.9597   4.5142 -17.8678   8.8798  539.667  200.420  319.837  162.634 219.8299 258.1045 
1 1 1  -34   13    1 o  314.342  139.307  -0.7461   2.7220   6.9988   4.3194  -5.8480   3.5057  639.949  196.594  269.069  130.849 370.8802 236.1580 
1 1 1  -34   13    3 o  900.577  121.113   13.266   3.3287   10.558   4.8422   15.692   4.5835  778.006  198.208  968.122  156.542 -190.1163 252.5702 
1 1 1  -34   13    5 o  352.133  146.361   0.6094   2.6614  -2.6685   4.4587   2.4238   3.3172  370.638  169.868  446.159  170.454 -75.52173 240.6445 
1 1 1  -34   13    7 o  842.360  149.000   11.852   3.7863   17.531   7.7605   10.077   4.3376  985.970  250.781  765.265  183.410 220.7043 310.6931 
1 1 1  -34   13    9 o  478.282  159.795   3.5845   2.8104   6.0990   4.4844   1.9582   3.6065  610.282  201.766  441.927  175.168 168.3542 267.1952 
1 1 1  -34   13   11 o  555.909  176.719   5.0774   3.4595   12.693   6.9856   2.6025   3.9821  843.226  248.026  476.742  185.526 366.4843 309.7367 
1 1 1  -34   13   13 o  1263.60  229.400   28.014   8.7422   28.014   8.7422   0.0000   0.0000  1263.60  229.400  ?   ?  0.000000 229.3997 
1 1 1  -34   13   15 o  539.891  172.894   4.7769   3.3067  -0.8918   6.9990   6.4058   3.7519  506.538  223.985  614.070  182.077 -107.5329 288.6547 
1 1 1  -34   13   17 o  1517.04   95.128   36.825   4.4959   42.101   6.8399   32.812   5.9658  1604.28  137.489  1415.58  136.276 188.7001 193.5827 
1 1 1  -34   13   19 o  397.694  157.962   1.5612   2.9384   4.4092   4.5573  -0.4655   3.8443  548.378  201.800  383.071  167.810 165.3073 262.4566 
1 1 1  -34   13   21 o  271.584  128.092  -2.9399   2.8364  -7.3987   4.4965   0.0067   3.6554  302.937  147.516  384.203  166.010 -81.26587 222.0818 
1 1 1  -34   13   23 o  424.207  160.307   2.3585   2.9139   14.376   4.3622  -7.3243   3.9156  918.286  157.370  272.831  133.866 645.4552 206.6039 
1 1 1  -34   13   25 o  809.518  138.530   11.089   3.3852   8.7790   5.5638   12.446   4.2656  695.172  224.440  845.667  167.015 -150.4941 279.7631 
1 1 1  -34   13   27 o  1210.42  120.533   24.241   4.5076   23.097   5.8006   25.986   7.1618  1155.16  165.060  1203.52  196.850 -48.36047 256.8943 
1 1 1  -34   13   29 f  1030.83  111.478   17.583   3.5409   19.663   5.1885   15.769   4.8445  1061.70  161.133  943.333  170.273 118.3660 234.4288 
1 1 1  -34   13   31 o  1244.86  104.574   25.542   4.0385   24.042   6.1464   26.681   5.3571  1158.19  174.934  1249.08  139.345 -90.89136 223.6490 
1 1 1  -34   13   33 o  410.891  166.569   1.9030   3.3377  -6.5814   6.8593   4.5350   3.8205  395.710  190.105  513.271  185.389 -117.5616 265.5351 
1 1 1  -34   13   35 o  761.781  147.708   10.427   3.3961   15.848   4.8768   5.3221   4.7322  921.040  175.508  542.872  204.491 378.1684 269.4800 
1 1 1  -34   13   37 o  676.584  158.751   8.5806   3.3053   5.4113   5.0123   11.019   4.3967  538.337  208.520  745.126  188.349 -206.7889 280.9908 
1 1 1  -34   13   39 o  855.753  174.910   14.326   4.5286   12.062   5.5389   18.892   7.8649  731.823  222.198  860.183  265.451 -128.3597 346.1735 
1 1 1  -34   13   41 o  691.056  165.745   9.5184   3.5403   15.799   4.7568   1.7184   5.3009  883.344  178.123  433.616  193.161 449.7279 262.7528 
1 1 1  -34   13   43 o  618.079  200.577   8.9974   4.4394   10.302   5.1140   5.0070   8.9425  641.833  215.551  505.778  234.909 136.0547 318.8174 
1 1 1  -34   13   45 o  828.088  198.445   16.222   5.0783   13.819   5.9674   22.534   9.6701  687.743  232.833  722.675  286.710 -34.93262 369.3425 
1 1 1  -34   14    2 o  971.293  117.180   15.378   3.4919   13.790   4.9014   17.014   4.9759  895.709  180.987  1004.78  163.800 -109.0697 244.1039 
1 1 1  -34   14    4 o  680.821  155.104   7.8725   3.2327   12.380   4.6271   3.5742   4.5183  849.045  179.652  523.184  199.160 325.8610 268.2155 
1 1 1  -34   14    6 o  343.940  148.481  -0.1209   2.9189  -3.7830   4.3002   3.0082   3.9750  343.407  160.620  488.845  186.631 -145.4385 246.2314 
1 1 1  -34   14    8 o  378.409  157.552   0.7158   3.0915  -1.8452   6.3026   1.5272   3.5477  465.450  208.740  425.156  171.947 40.29388 270.4402 
1 1 1  -34   14   10 o  601.583  178.414   6.1233   3.6021   14.740   7.6177   3.6416   4.0881  901.090  257.259  513.724  190.738 387.3661 320.2553 
1 1 1  -34   14   12 o  732.079  158.985   9.0984   3.5400   9.8761   7.3614   8.8645   4.0376  758.024  258.591  717.232  180.051 40.79205 315.0996 
1 1 1  -34   14   14 o  1005.65  177.272   17.211   5.3782   9.6220   8.1610   23.036   7.1506  756.962  271.246  1152.76  205.643 -395.8019 340.3877 
1 1 1  -34   14   16 o  1244.53  101.391   24.914   3.9168   22.692   5.8220   26.751   5.2939  1162.48  164.541  1277.43  134.363 -114.9475 212.4317 
1 1 1  -34   14   18 o  433.218  159.963   2.5651   2.8675   1.8166   4.1278   3.2632   3.9863  455.142  184.975  495.171  187.411 -40.02930 263.3224 
1 1 1  -34   14   20 o  563.743  182.742   5.3136   3.6856   9.7877   4.5926  -2.7806   6.1773  744.404  194.782  440.643  201.196 303.7613 280.0352 
1 1 1  -34   14   22 o  538.605  167.999   4.9019   3.1407  -0.1620   5.2425   7.7366   3.9225  448.227  196.169  663.661  182.889 -215.4336 268.1993 
1 1 1  -34   14   24 o  472.023  165.173   3.4817   3.0109   3.0810   4.6972   3.7611   3.9228  504.692  199.951  504.926  186.968 -0.2339478 273.7469 
1 1 1  -34   14   26 o  1123.19  138.483   21.193   4.7673   21.262   6.1755   21.091   7.4997  1096.35  186.572  1059.49  232.452 36.86060 298.0661 
1 1 1  -34   14   28 o  649.300  164.148   7.4823   3.3392  -1.5825   5.3566   13.244   4.2704  418.196  189.546  869.416  162.849 -451.2199 249.8952 
1 1 1  -34   14   30 o  500.286  169.722   4.2448   3.1709   7.5928   5.2488   2.3206   3.9791  639.634  218.355  451.177  182.230 188.4571 284.4063 
1 1 1  -34   14   32 o  1146.86  126.340   22.264   4.4617   26.347   8.3443   20.629   5.2799  1147.03  240.034  1079.24  161.178 67.78870 289.1272 
1 1 1  -34   14   34 o  273.479  129.713  -2.9833   2.9863  -8.2299   4.5279   1.0561   3.9730  286.582  141.266  408.407  174.715 -121.8251 224.6808 
1 1 1  -34   14   36 o  639.806  171.880   7.7772   3.5167   3.6317   4.9561   11.981   4.9909  495.630  202.200  771.885  203.572 -276.2547 286.9260 
1 1 1  -34   14   38 o  505.288  180.321   4.7767   3.6032   3.8068   5.2981   5.6114   4.9148  496.934  206.520  540.511  207.244 -43.57697 292.5764 
1 1 1  -34   14   40 o  576.590  193.365   6.9695   4.1154   7.0639   4.7846   6.7011   8.0684  573.002  207.389  565.871  245.570 7.130920 321.4264 
1 1 1  -34   14   42 o  536.502  196.393   6.2994   4.3082   5.2025   5.1440   8.8767   7.8847  503.302  205.739  579.580  246.990 -76.27863 321.4534 
1 1 1  -34   15    1 o  542.198  170.981   4.8751   3.2435   4.6519   4.8616   5.0542   4.3543  564.455  208.314  567.223  198.624 -2.767822 287.8300 
1 1 1  -34   15    3 o  624.422  165.435   6.6653   3.2863   3.2863   4.7110   9.8682   4.5866  519.593  201.906  752.336  193.579 -232.7431 279.7119 
1 1 1  -34   15    5 o  504.709  166.049   4.0864   3.0386   1.3283   4.2655   6.9283   4.3298  448.937  185.834  638.044  196.966 -189.1068 270.7945 
1 1 1  -34   15    7 o  926.537  147.936   14.305   4.1476   6.9320   7.4776   17.581   4.9846  681.480  256.978  1024.10  160.735 -342.6251 303.1063 
1 1 1  -34   15    9 o  1035.19  133.215   17.601   4.2179   15.686   7.7719   18.400   5.0217  926.935  258.191  1049.41  157.700 -122.4792 302.5425 
1 1 1  -34   15   11 o  430.054  168.228   2.0214   3.2872   5.6860   7.4358   1.1313   3.6647  650.518  253.418  417.859  172.552 232.6591 306.5858 
1 1 1  -34   15   13 o  449.664  165.418   2.7801   3.0618  -0.2862   4.5757   5.2663   4.1201  422.557  184.144  571.605  193.467 -149.0475 267.0931 
1 1 1  -34   15   15 o  848.301  167.840   12.274   4.3004   9.7415   5.4213   16.572   7.0622  742.946  218.489  957.573  236.848 -214.6267 322.2333 
1 1 1  -34   15   17 o  389.165  157.523   1.2612   2.9802   2.2971   4.3681   0.3591   4.0762  477.920  191.668  414.089  177.054 63.83121 260.9304 
1 1 1  -34   15   19 o  908.927  123.123   13.602   3.4140   18.918   5.0799   9.2231   4.6104  1059.58  157.934  722.886  197.897 336.6922 253.1923 
1 1 1  -34   15   21 o  414.166  164.211   1.7922   3.1703  -2.9250   4.8801   5.2366   4.1701  382.470  176.182  566.124  194.595 -183.6537 262.5020 
1 1 1  -34   15   23 o  574.898  164.405   5.7105   3.1084   9.4369   4.7810   2.9818   4.0912  724.702  202.734  484.817  188.221 239.8848 276.6372 
1 1 1  -34   15   25 o  867.779  168.353   13.116   4.4095   7.6769   5.7455   20.910   6.8781  659.944  228.324  1073.30  212.181 -413.3523 311.6928 
1 1 1  -34   15   27 f  749.688  155.731   9.7832   3.5363   14.464   5.7038   6.8603   4.5070  885.097  209.126  620.628  202.134 264.4692 290.8463 
1 1 1  -34   15   29 o  682.537  164.033   8.2878   3.4622   10.681   5.6191   6.8235   4.3957  747.551  223.093  614.464  199.598 133.0871 299.3492 
1 1 1  -34   15   31 o  385.637  162.664   0.9032   3.3616  -0.8831   5.3659   2.0571   4.3129  426.021  191.705  453.196  187.170 -27.17554 267.9242 
1 1 1  -34   15   33 o  1122.46  116.571   21.146   4.0373   16.837   6.1411   24.425   5.3581  928.567  215.384  1184.27  147.701 -255.7021 261.1627 
1 1 1  -34   15   35 o  599.827  164.910   6.6632   3.1936   3.1653   4.5394   10.091   4.4937  479.785  194.339  720.347  194.620 -240.5620 275.0359 
1 1 1  -34   15   37 o  538.018  188.864   5.4617   3.9380   8.8004   4.5384  -4.7125   7.9226  659.570  201.326  435.877  208.020 223.6928 289.4900 
1 1 1  -34   15   39 o  442.171  177.845   2.9341   3.7727   1.6671   4.2802   7.3464   7.9874  420.734  180.702  591.629  250.208 -170.8942 308.6382 
1 1 1  -34   15   41 o  573.330  192.899   6.9811   4.0957   5.9161   4.6574   10.615   8.6029  532.744  202.345  626.564  262.010 -93.82013 331.0480 
1 1 1  -34   16    2 o  384.592  158.844   0.9106   3.1064   2.4663   4.3436  -0.7181   4.4444  483.488  192.049  407.108  179.329 76.38068 262.7579 
1 1 1  -34   16    4 o  332.579  152.060  -2.0839   3.5436  -8.0278   7.7048  -0.4893   3.9907  435.916  207.222  390.988  171.135 44.92853 268.7533 
1 1 1  -34   16    6 o  718.204  187.530   8.9319   4.2629   3.2364   8.4629   10.868   4.9346  623.340  260.197  788.776  199.623 -165.4351 327.9512 
1 1 1  -34   16    8 o  627.743  189.756   6.7027   4.0461   18.539   7.2285   1.3020   4.8827  1019.85  231.636  472.838  197.529 547.0096 304.4225 
1 1 1  -34   16   10 o  596.678  169.755   6.0495   3.3228   13.385   4.7306  -1.0940   4.6684  884.721  176.945  410.044  182.043 474.6772 253.8687 
1 1 1  -34   16   12 o  633.844  181.324   6.8838   3.7805   11.956   5.1863   1.1327   5.5223  825.975  202.164  492.161  208.089 333.8136 290.1228 
1 1 1  -34   16   14 o  918.205  131.421   13.906   3.6707   12.827   5.4831   14.783   4.9414  853.047  207.309  929.957  176.145 -76.91046 272.0367 
1 1 1  -34   16   16 f  918.651  150.622   14.152   4.1825   10.130   5.0935   22.477   7.3283  757.224  208.300  1129.98  214.971 -372.7579 299.3353 
1 1 1  -34   16   18 o  255.961  123.528  -4.4389   2.9783  -4.0053   4.2766  -4.8472   4.1503  337.080  158.461  317.906  151.398 19.17383 219.1602 
1 1 1  -34   16   20 o  834.599  138.528   11.661   3.4933   9.0063   5.2356   13.792   4.6897  711.976  215.997  894.399  173.717 -182.4237 277.1867 
1 1 1  -34   16   22 o  268.393  127.938  -3.6114   2.9784   1.3776   4.3633  -7.9639   4.0755  449.304  187.130  274.630  135.112 174.6736 230.8092 
1 1 1  -34   16   24 o  647.546  184.585   7.4055   3.9249   2.6372   4.9129   15.817   6.5253  499.464  202.224  924.717  227.030 -425.2531 304.0343 
1 1 1  -34   16   26 o  909.003  133.867   13.882   3.6962   15.145   5.6961   12.962   4.8578  912.726  204.389  851.953  187.210 60.77319 277.1690 
1 1 1  -34   16   28 o  754.581  158.715   9.9639   3.6312   15.635   5.3956   5.2690   4.9094  930.741  191.526  569.023  209.443 361.7173 283.8103 
1 1 1  -34   16   30 o  1162.63  133.826   22.817   4.7830   12.753   10.057   25.758   5.4372  783.323  297.388  1229.28  143.985 -445.9578 330.4106 
1 1 1  -34   16   32 o  575.972  171.770   5.9941   3.3320   4.6650   4.7983   7.2318   4.6304  538.937  205.219  623.061  204.979 -84.12402 290.0536 
1 1 1  -34   16   34 o  813.454  181.526   12.313   4.5064   16.244   5.6164   5.2092   7.5504  922.715  200.150  587.947  245.626 334.7676 316.8470 
1 1 1  -34   16   36 o  278.967  134.378  -4.3602   3.4839  -7.3663   3.9244   6.8192   7.5682  265.539  131.011  608.335  249.215 -342.7965 281.5523 
1 1 1  -34   16   38 o  683.521  197.892   9.4639   4.4785   9.7278   5.2506   8.7595   8.5795  677.377  217.963  634.209  263.125 43.16797 341.6763 
1 1 1  -34   16   40 o  607.903  184.237   7.5035   3.8105   10.699   4.8480   2.3376   6.1637  706.754  206.263  475.400  210.206 231.3539 294.5013 
1 1 1  -34   17    1 o  418.302  173.309   1.0779   3.7147   3.4260   8.6114   0.5410   4.1175  629.257  262.552  421.747  179.076 207.5096 317.8074 
1 1 1  -34   17    3 o  501.266  182.157   3.6150   3.6965   14.863   8.6437   1.0974   4.0893  898.472  278.452  435.513  181.254 462.9597 332.2474 
1 1 1  -34   17    5 o  321.563  144.501  -1.2410   3.0364  -7.4992   7.3180   0.0605   3.3373  427.683  202.911  371.914  159.643 55.76822 258.1834 
1 1 1  -34   17    7 o  683.983  166.687   7.9964   3.5373   8.0261   5.3509   7.9733   4.7144  685.792  219.969  680.528  204.631 5.264160 300.4333 
1 1 1  -34   17    9 o  585.336  202.469   5.4301   4.5179  -1.5355   8.6943   8.0067   5.2878  551.783  246.473  684.584  218.572 -132.8017 329.4280 
1 1 1  -34   17   11 o  332.335  148.623  -1.1243   3.1713  -0.5088   4.3576  -1.8174   4.6240  408.219  178.748  393.841  177.523 14.37738 251.9232 
1 1 1  -34   17   13 o  357.749  152.591   0.1825   3.0143   0.1930   4.4492   0.1736   4.0982  427.997  184.040  411.790  176.838 16.20615 255.2304 
1 1 1  -34   17   15 o  669.634  159.294   7.6578   3.2915   13.534   4.7486   2.2232   4.5665  888.491  176.902  484.026  195.316 404.4652 263.5200 
1 1 1  -34   17   17 o  303.339  144.891  -4.7952   3.8607  -6.4330   4.4717  -0.0000   7.6515  313.930  151.469  539.555  236.543 -225.6257 280.8837 
1 1 1  -34   17   19 o  351.649  153.487  -0.3406   3.1902  -1.9640   4.5912   1.1749   4.4361  387.333  175.527  449.264  188.031 -61.93176 257.2261 
1 1 1  -34   17   21 f  607.989  173.353   6.3865   3.4613   5.8659   5.0999   6.8310   4.7129  603.292  214.611  631.477  206.751 -28.18481 297.9994 
1 1 1  -34   17   23 o  670.973  171.272   7.8620   3.6106   4.7665   4.3418   14.802   6.5012  551.165  197.809  895.901  230.439 -344.7360 303.6946 
1 1 1  -34   17   25 o  798.264  139.889   10.785   3.3692   12.664   4.8000   8.9592   4.7302  845.024  186.410  705.059  203.161 139.9647 275.7228 
1 1 1  -34   17   27 o  916.799  129.644   14.071   3.6179   11.826   5.0331   16.471   5.2043  805.813  200.330  967.625  178.335 -161.8123 268.2080 
1 1 1  -34   17   29 o  559.050  173.006   5.4755   3.3381   8.1189   4.6791   2.7357   4.7637  665.611  204.638  491.173  199.037 174.4373 285.4691 
1 1 1  -34   17   31 o  671.403  193.815   8.3310   4.3015   8.3819   5.2742   8.2299   7.4338  668.015  218.715  671.536  255.499 -3.520996 336.3276 
1 1 1  -34   17   33 o  430.413  177.169   1.8454   3.8477   2.1958   4.5897   1.0167   7.0577  463.887  192.455  508.671  224.926 -44.78430 296.0249 
1 1 1  -34   17   35 o  557.256  199.759   5.6106   4.4266   9.3450   5.0646  -6.4716   9.1099  687.224  213.171  461.900  221.153 225.3244 307.1655 
1 1 1  -34   17   37 o  658.924  177.374   8.2826   3.7407   11.378   5.0590   4.5489   5.5560  750.638  208.036  531.396  215.088 219.2418 299.2352 
1 1 1  -34   18    2 o  625.998  189.155   6.6554   4.0211  -1.0904   9.3364   8.4194   4.4555  577.165  256.782  697.462  195.923 -120.2970 322.9908 
1 1 1  -34   18    4 o  412.942  164.161   1.6477   3.1761   8.3561   5.0180  -2.8362   4.1025  696.137  211.519  349.249  161.114 346.8885 265.8909 
1 1 1  -34   18    6 o  566.888  174.059   5.3593   3.3864  -4.1911   5.4110   11.509   4.3419  391.214  182.042  820.917  174.299 -429.7030 252.0307 
1 1 1  -34   18    8 o  404.383  165.030   1.2107   3.3029   7.5572   5.1511  -3.2204   4.3041  668.757  215.961  353.161  163.657 315.5953 270.9660 
1 1 1  -34   18   10 o  540.947  195.827   4.2969   4.2663   5.5671   8.7435   3.9000   4.8876  676.645  271.241  544.408  207.163 132.2374 341.3041 
1 1 1  -34   18   12 o  449.359  172.523   2.4298   3.4087   3.8905   4.7667   0.9011   4.8765  540.379  204.835  463.169  195.671 77.20947 283.2747 
1 1 1  -34   18   14 o  420.820  172.523   1.2850   3.6303   0.0907   5.2281   2.3970   5.0448  458.500  198.325  506.049  204.909 -47.54825 285.1672 
1 1 1  -34   18   16 o  407.762  167.978   1.1182   3.4622   5.1248   4.8516  -3.0396   4.9423  579.704  208.986  386.392  177.734 193.3119 274.3440 
1 1 1  -34   18   18 o  910.300  135.141   13.733   3.7351   14.263   5.0211   13.077   5.5888  908.985  182.747  858.846  209.652 50.13916 278.1196 
1 1 1  -34   18   20 o  387.698  161.029   0.8759   3.2184  -2.4901   4.2985   5.1701   4.8551  363.488  166.663  578.426  208.980 -214.9381 267.2999 
1 1 1  -34   18   22 o  410.635  168.057   1.3221   3.4373   3.4845   4.7545  -1.0456   4.9753  522.177  202.857  420.920  187.347 101.2571 276.1336 
1 1 1  -34   18   24 o  300.506  139.881  -2.5750   3.1992  -6.0785   4.5676   0.7988   4.4822  321.216  154.519  438.949  186.620 -117.7327 242.2878 
1 1 1  -34   18   26 o  407.927  166.303   1.4349   3.3496   4.2312   4.7582  -1.3122   4.7162  540.060  204.668  401.519  180.283 138.5410 272.7471 
1 1 1  -34   18   28 o  812.044  176.959   11.683   4.3724   8.6197   5.0210   21.296   8.8946  687.187  212.100  1033.91  271.327 -346.7224 344.3907 
1 1 1  -34   18   30 o  540.004  200.598   4.6000   4.5228  -0.9767   5.6786   14.274   7.4795  441.192  197.980  844.893  258.555 -403.7012 325.6486 
1 1 1  -34   18   32 o  1025.47  156.415   18.313   4.8635   12.420   5.8953   30.869   8.6054  799.300  225.662  1276.66  223.407 -477.3574 317.5439 
1 1 1  -34   18   34 o  1257.61  123.049   26.610   4.7835   27.482   6.6205   25.659   6.9191  1235.86  176.059  1177.58  194.434 58.28027 262.2998 
1 1 1  -34   19    1 o  730.476  180.706   9.1800   4.1105   5.7861   7.0312   10.942   5.0665  646.776  247.908  791.921  203.286 -145.1456 320.5989 
1 1 1  -34   19    3 o  282.198  134.263  -3.9114   3.2477  -6.4914   5.1421  -2.1992   4.1889  347.782  166.419  365.881  166.523 -18.09875 235.4257 
1 1 1  -34   19    5 o  536.062  180.129   4.5545   3.5713   6.0669   4.9492   2.9113   5.1586  616.097  211.981  525.430  209.108 90.66736 297.7615 
1 1 1  -34   19    7 o  596.275  185.753   5.9310   3.8409   4.7229   5.5165   7.0677   5.3511  585.816  220.765  655.399  220.488 -69.58337 312.0131 
1 1 1  -34   19    9 o  334.214  151.673  -1.7650   3.4433 -11.6349   5.1103   6.4422   4.6600  293.946  145.823  625.013  205.633 -331.0668 252.0893 
1 1 1  -34   19   11 o  538.519  200.315   4.0180   4.5130  -0.5492   8.9398   5.5800   5.2281  575.314  253.832  604.728  217.059 -29.41449 333.9844 
1 1 1  -34   19   13 o  593.169  167.692   5.9619   3.2532   8.1991   4.5129   3.5415   4.6939  689.299  198.387  528.196  202.531 161.1033 283.5067 
1 1 1  -34   19   15 f  575.078  179.989   5.5136   3.6015   3.2093   5.0102   7.9774   5.1807  527.305  207.268  682.553  216.181 -155.2489 299.4898 
1 1 1  -34   19   17 o  423.608  182.665   0.0918   4.4075  -1.6439   8.8155   0.6702   5.0892  552.067  247.278  465.247  198.353 86.81964 317.0017 
1 1 1  -34   19   19 f  423.078  170.344   1.6203   3.4651   7.0089   4.8217  -4.1349   4.9830  642.811  209.057  370.550  173.183 272.2603 271.4721 
1 1 1  -34   19   21 o  522.357  182.180   4.2619   3.6614  -2.1455   5.0321   11.471   5.3374  404.362  183.449  802.461  209.986 -398.0991 278.8330 
1 1 1  -34   19   23 o  540.792  182.317   4.7661   3.6588   7.6463   5.0144   1.4870   5.3505  662.763  212.977  489.452  205.769 173.3109 296.1423 
1 1 1  -34   19   25 o  926.390  178.733   14.935   4.9968   16.894   5.8069   9.3460   9.8078  977.188  196.589  749.110  291.260 228.0775 351.3968 
1 1 1  -34   19   27 o  636.877  197.691   7.1685   4.3549   8.9797   4.8131  -1.0078   10.227  705.119  205.443  581.831  262.969 123.2884 333.7056 
1 1 1  -34   19   29 o  484.390  194.587   2.6695   4.5104   1.9762   5.4780   4.1288   7.9476  496.754  208.489  603.541  252.061 -106.7865 327.1122 
1 1 1  -34   19   31 o  699.682  197.535   9.0117   4.5173   7.5218   5.3569   12.679   8.4047  643.810  220.587  791.883  276.028 -148.0726 353.3414 
1 1 1  -34   19   33 o  683.806  196.664   8.7300   4.4363   7.2182   4.9759   14.588   9.7952  625.896  212.608  816.506  296.549 -190.6107 364.8887 
1 1 1  -34   20    2 o  966.816  173.999   15.795   5.0738   13.594   7.5821   17.580   6.8280  870.821  258.981  1000.43  223.590 -129.6094 342.1457 
1 1 1  -34   20    4 o  551.940  195.649   4.5858   4.2349  -2.0118   6.7902   8.7859   5.4178  483.135  216.668  715.465  220.238 -232.3302 308.9496 
1 1 1  -34   20    6 o  617.158  198.350   6.3010   4.3492   14.870   6.3910  -1.0895   5.9355  919.544  224.027  466.169  206.194 453.3745 304.4738 
1 1 1  -34   20    8 o  431.402  175.565   1.4441   3.7248   0.2956   5.4416   2.4566   5.1095  473.836  203.635  512.688  206.702 -38.85239 290.1605 
1 1 1  -34   20   10 o  645.457  190.980   7.0737   4.1310  -0.8990   6.0588   14.000   5.6472  474.239  209.116  897.924  205.320 -423.6847 293.0627 
1 1 1  -34   20   12 o  785.697  226.254   10.827   5.8683   0.0000   0.0000   10.827   5.8683  ?   ?   785.697  226.254 0.000000 226.2536 
1 1 1  -34   20   14 o  413.622  170.288   1.1242   3.5554   5.5321   4.8986  -3.7827   5.1684  596.992  210.549  386.578  179.211 210.4148 276.4916 
1 1 1  -34   20   16 o  533.714  185.347   4.4031   3.7879   5.7120   5.0227   2.6768   5.7681  604.286  213.191  537.528  218.583 66.75793 305.3338 
1 1 1  -34   20   18 o  475.781  194.837   1.8135   4.6236   3.4713   5.0386  -7.0250   11.634  535.065  208.561  569.704  265.710 -34.63855 337.7856 
1 1 1  -34   20   20 o  672.133  177.362   7.8015   3.7871   10.599   5.0729   4.2794   5.6920  775.422  205.589  573.568  222.197 201.8544 302.7179 
1 1 1  -34   20   22 o  330.444  156.084  -4.3214   4.2403  -1.8052   4.6280 -17.4791   10.583  392.357  177.157  449.156  220.319 -56.79910 282.7107 
1 1 1  -34   20   24 o  428.032  185.235   0.1131   4.5652   4.5585   5.0351 -20.4256   10.823  561.533  211.049  435.414  215.327 126.1194 301.5091 
1 1 1  -34   20   26 o  643.751  198.783   7.2693   4.4097   8.4300   4.9201   2.5293   9.9423  687.811  209.548  630.062  273.012 57.74951 344.1600 
1 1 1  -34   20   28 f  770.278  212.203   10.854   5.2816   11.666   6.2239   8.7645   9.9838  789.922  234.577  731.042  290.915 58.87994 373.7077 
1 1 1  -34   21    1 o  478.017  175.270   3.1482   3.4333  -0.2857   4.4906   7.9799   5.3267  421.023  182.957  687.346  219.364 -266.3228 285.6467 
1 1 1  -34   21    3 o  638.123  187.552   6.8904   3.9958   7.6418   5.2765   5.8801   6.1184  675.854  218.607  633.932  233.743 41.92194 320.0383 
1 1 1  -34   21    5 o  321.999  150.297  -3.2948   3.7339  -3.1108   4.7250  -3.6009   6.0933  377.414  173.671  431.540  198.074 -54.12619 263.4291 
1 1 1  -34   21    7 o  623.109  192.649   6.4875   4.1403   6.0142   6.0246   6.9111   5.6993  636.393  232.351  657.602  227.411 -21.20898 325.1194 
1 1 1  -34   21    9 o  538.051  192.846   4.2459   4.1253   8.8296   5.9119  -0.1040   5.7592  721.260  231.199  478.760  207.620 242.4997 310.7394 
1 1 1  -34   21   11 o  457.596  183.184   1.9504   3.9820   5.5464   5.7042  -1.4677   5.5614  615.726  225.893  444.303  197.891 171.4227 300.3137 
1 1 1  -34   21   13 o  480.928  237.133 -23.6694   12.788   0.0000   0.0000 -23.6694   12.788  ?   ?   480.928  237.133 0.000000 237.1329 
1 1 1  -34   21   15 o  675.786  216.005   7.7148   5.1632   8.5112   5.6045   3.2464   13.275  706.360  224.969  734.202  316.804 -27.84241 388.5559 
1 1 1  -34   21   17 o  605.974  222.922   5.4090   5.5605   9.5626   6.1788 -12.2840   12.752  742.708  236.180  555.337  264.723 187.3706 354.7663 
1 1 1  -34   21   19 o  764.434  230.127   10.302   5.9599   10.958   6.7795   8.0671   12.504  786.353  247.080  785.112  320.837 1.240295 404.9506 
1 1 1  -34   21   21 o  660.229  240.996   6.8469   6.4807   6.8469   6.4807   0.0000   0.0000  660.229  240.996  ?   ?  0.000000 240.9957 
1 1 1  -34   21   23 o  514.849  205.479   2.8913   4.9942   3.6277   5.5078  -0.5133   11.843  549.597  216.906  640.997  286.896 -91.40002 359.6633 
1 1 1  -34   22   10 o  501.642  194.941   2.8834   4.3918   6.7538   4.6087 -35.3486   14.485  638.529  204.074  469.411  234.846 169.1174 311.1251 
1 1 1  -34   22   12 o  744.009  215.432   9.5526   5.3073   13.132   5.7143 -12.9243   14.319  869.161  211.884  596.037  283.091 273.1246 353.6035 
1 1 1  -34   22   14 o  486.044  194.572   2.2591   4.4925   3.6172   4.7429  -9.5914   14.010  534.220  203.885  614.729  288.286 -80.50897 353.0973 
1 1 1  -33    0    1 o  273.922  169.176   0.9609   2.8540   0.9609   2.8540   0.9609   2.8540  273.922  169.176  273.922  169.176 -0.000000 0.000000 
1 1 1  -33    0    3 o  372.065  210.374   3.0427   3.7654   3.0427   3.7654   3.0427   3.7654  372.065  210.374  372.065  210.374 -0.000000 0.000000 
1 1 1  -33    0    5 o  289.033  178.814   1.0569   3.2024   1.0569   3.2024   1.0569   3.2024  289.033  178.814  289.033  178.814 -0.000000 0.000000 
1 1 1  -33    0    7 o  218.685  149.556  -1.9464   3.2297  -1.9464   3.2297  -1.9464   3.2297  218.685  149.556  218.685  149.556 -0.000000 0.000000 
1 1 1  -33    0    9 o  1743.94  174.544   50.276   9.3123   50.276   9.3123   50.276   9.3123  1743.94  174.544  1743.94  174.544 -0.000000 0.000000 
1 1 1  -33    0   11 o  1181.19  186.180   23.992   6.3745   23.992   6.3745   23.992   6.3745  1181.19  186.180  1181.19  186.180 -0.000000 0.000000 
1 1 1  -33    0   13 o  379.792  218.630   3.0580   4.1699   3.0580   4.1699   3.0580   4.1699  379.792  218.630  379.792  218.630 -0.000000 0.000000 
1 1 1  -33    0   15 o  1609.55  169.515   42.889   8.3266   42.889   8.3266   42.889   8.3266  1609.55  169.515  1609.55  169.515 -0.000000 0.000000 
1 1 1  -33    0   17 o  916.937  253.618   16.411   6.2979   16.411   6.2979   16.411   6.2979  916.937  253.618  916.937  253.618 -0.000000 0.000000 
1 1 1  -33    0   19 o  1040.35  209.586   19.395   6.0509   19.395   6.0509   19.395   6.0509  1040.35  209.586  1040.35  209.586 -0.000000 0.000000 
1 1 1  -33    0   21 o  164.364  120.028  -8.8473   3.7484  -8.8473   3.7484  -8.8473   3.7484  164.364  120.028  164.364  120.028 -0.000000 0.000000 
1 1 1  -33    0   23 f  1364.02  131.803   30.376   5.5087   30.376   5.5087   30.376   5.5087  1364.02  131.803  1364.02  131.803 -0.000000 0.000000 
1 1 1  -33    0   25 o  1776.30  123.776   50.786   6.8077   50.786   6.8077   50.786   6.8077  1776.30  123.776  1776.30  123.776 -0.000000 0.000000 
1 1 1  -33    0   27 o  1513.52  128.026   37.143   5.9675   37.143   5.9675   37.143   5.9675  1513.52  128.026  1513.52  128.026 -0.000000 0.000000 
1 1 1  -33    0   29 o  1031.92  142.475   17.875   4.3535   17.875   4.3535   17.875   4.3535  1031.92  142.475  1031.92  142.475 -0.000000 0.000000 
1 1 1  -33    0   31 o  2277.58  124.439   83.088   8.8141   83.088   8.8141   83.088   8.8141  2277.58  124.439  2277.58  124.439 -0.000000 0.000000 
1 1 1  -33    0   33 o  876.248  169.352   13.550   4.1467   13.550   4.1467   13.550   4.1467  876.248  169.352  876.248  169.352 -0.000000 0.000000 
1 1 1  -33    0   35 o  2364.26  182.973   92.096   13.359   92.096   13.359   92.096   13.359  2364.26  182.973  2364.26  182.973 -0.000000 0.000000 
1 1 1  -33    0   37 o  270.391  173.542   0.2864   3.3398   0.2864   3.3398   0.2864   3.3398  270.391  173.542  270.391  173.542 -0.000000 0.000000 
1 1 1  -33    0   39 o  2158.45  188.015   78.086   12.485   78.086   12.485   78.086   12.485  2158.45  188.015  2158.45  188.015 -0.000000 0.000000 
1 1 1  -33    0   41 o  2663.25  196.402  119.581   16.174  119.581   16.174  119.581   16.174  2663.25  196.402  2663.25  196.402 -0.000000 0.000000 
1 1 1  -33    0   45 o  850.658  294.942   16.356   7.0886   16.356   7.0886   16.356   7.0886  850.658  294.942  850.658  294.942 -0.000000 0.000000 
1 1 1  -33    0   47 o  617.497  235.746   8.7300   4.2965   8.7300   4.2965   8.7300   4.2965  617.497  235.746  617.497  235.746 -0.000000 0.000000 
1 1 1  -33    0   49 o  1247.56  137.681   26.231   5.2112   26.231   5.2112   26.231   5.2112  1247.56  137.681  1247.56  137.681 -0.000000 0.000000 
1 1 1  -33    0   51 o  2614.61  132.637  112.354   10.795  112.354   10.795  112.354   10.795  2614.61  132.637  2614.61  132.637 -0.000000 0.000000 
1 1 1  -33    0   53 o  928.064  178.718   15.783   4.6376   15.783   4.6376   15.783   4.6376  928.064  178.718  928.064  178.718 -0.000000 0.000000 
1 1 1  -33    1    2 o  317.755  135.466   0.0881   2.3736   1.2716   4.1565  -0.4846   2.8914  444.146  183.615  332.571  145.615 111.5750 234.3461 
1 1 1  -33    1    4 o  374.331  145.638   1.4984   2.4534  -2.0122   3.0316   8.1616   4.1767  304.287  139.684  688.940  188.255 -384.6536 234.4177 
1 1 1  -33    1    6 o  779.285  115.355   9.9270   2.7298   12.689   3.6979   6.6200   4.0466  875.458  139.585  625.828  189.899 249.6304 235.6810 
1 1 1  -33    1    8 o  628.579  144.087   6.6565   2.7754   8.4569   4.5100   5.5591   3.5210  700.006  197.286  577.219  177.526 122.7870 265.4001 
1 1 1  -33    1   10 o  731.406  158.299   9.0631   3.5202   14.045   5.2502   4.9948   4.7447  902.490  191.707  575.715  206.766 326.7749 281.9639 
1 1 1  -33    1   12 f  335.754  148.027  -0.6719   3.0347  -5.5583   4.3128   4.1203   4.2711  318.046  152.248  534.940  195.586 -216.8944 247.8574 
1 1 1  -33    1   14 o  360.542  154.323   0.1050   3.1027  -2.7148   4.5018   2.6566   4.2823  371.465  170.409  487.681  191.644 -116.2156 256.4497 
1 1 1  -33    1   16 o  2188.28  121.086   77.376   8.2646   75.190   11.664   79.580   11.712  2119.97  177.337  2184.96  172.594 -64.98657 247.4611 
1 1 1  -33    1   18 o  620.296  168.574   6.5944   3.3597   4.3926   4.7603   8.7797   4.7426  553.727  205.777  708.460  203.218 -154.7327 289.2092 
1 1 1  -33    1   20 o  819.411  159.264   11.416   3.9392   12.963   5.4121   9.6738   5.7443  856.205  204.652  738.444  226.691 117.7610 305.4032 
1 1 1  -33    1   22 o  498.666  153.909   4.1336   2.6438   10.796   3.5525  -4.1369   3.9582  799.659  147.305  317.915  150.361 481.7440 210.4926 
1 1 1  -33    1   24 o  1184.79   93.870   22.581   3.4540   18.967   4.9687   25.961   4.8047  1061.26  154.020  1259.09  123.457 -197.8306 197.3923 
1 1 1  -33    1   26 o  658.203  131.454   7.3095   2.6144   11.295   3.7951   3.7095   3.6068  813.046  154.723  497.104  180.041 315.9426 237.3901 
1 1 1  -33    1   28 f  368.700  144.231   1.4994   2.4163   4.6375   3.4028  -1.6925   3.4318  528.512  175.806  331.087  150.702 197.4250 231.5576 
1 1 1  -33    1   30 o  1190.40   92.159   22.883   3.4084   24.278   4.9234   21.600   4.7233  1207.45  132.392  1136.69  135.366 70.76196 189.3456 
1 1 1  -33    1   32 o  2800.41   93.349  126.444   8.1856  135.526   11.710  117.768   11.446  2859.63  130.782  2654.32  138.199 205.3105 190.2702 
1 1 1  -33    1   34 o  1149.33   97.510   21.602   3.4761   25.970   4.9323   17.292   4.8998  1242.13  128.680  990.133  163.766 251.9933 208.2740 
1 1 1  -33    1   36 o  1959.62  104.469   63.487   6.3871   71.069   11.218   59.850   7.7694  1968.78  184.111  1871.66  133.443 97.12708 227.3848 
1 1 1  -33    1   38 o  1888.97  103.857   59.792   6.1193   59.868   10.373   59.751   7.5786  1759.98  191.306  1852.29  131.521 -92.30994 232.1549 
1 1 1  -33    1   40 o  662.872  194.194   9.3603   4.2900   4.3789   5.6834   15.957   6.5405  500.251  211.284  811.779  240.332 -311.5277 320.0006 
1 1 1  -33    1   42 o  1405.25  235.268   48.011   9.9863   0.0000   0.0000   48.011   9.9863  ?   ?   1405.25  235.268 0.000000 235.2681 
1 1 1  -33    1   44 o  792.672  193.223   14.787   4.7523   19.368   6.9481   10.760   6.5145  791.474  250.320  578.122  233.286 213.3516 342.1729 
1 1 1  -33    1   46 o  957.401  139.424   18.725   4.0570   19.574   5.1922   17.396   6.5009  890.751  191.826  702.586  242.881 188.1652 309.4973 
1 1 1  -33    1   48 f  621.942  160.241   9.2676   3.1399   13.867   4.4822   4.8350   4.4000  696.523  196.810  411.997  180.030 284.5259 266.7298 
1 1 1  -33    1   50 o  1027.86  118.957   21.967   3.7579   20.815   5.4884   22.983   5.1560  776.982  217.166  900.878  188.819 -123.8967 287.7733 
1 1 1  -33    1   52 o  1018.74  123.103   23.200   3.8473   17.417   5.5554   28.529   5.3331  574.537  220.327  983.708  179.763 -409.1704 284.3567 
1 1 1  -33    1   54 o  229.229  112.317  -1.2212   2.7269   0.3744   3.9584  -2.6623   3.7619  269.556  132.720  238.054  119.184 31.50226 178.3799 
1 1 1  -33    2    1 o  548.990  153.318   5.0632   2.7368  -4.7636   4.7366   9.9879   3.3531  351.231  165.618  773.448  143.743 -422.2173 219.2973 
1 1 1  -33    2    3 f  846.645  110.988   11.648   2.8715   15.111   4.1311   8.4112   3.9941  956.185  142.316  700.026  180.911 256.1584 230.1793 
1 1 1  -33    2    5 o  423.171  162.398   2.1043   3.0195  -0.1872   4.4292   4.0941   4.1273  419.829  182.070  531.339  192.570 -111.5105 265.0143 
1 1 1  -33    2    7 o  897.649  117.793   13.129   3.2309   17.364   5.2703   10.579   4.0896  1014.91  171.982  788.143  170.656 226.7691 242.2834 
1 1 1  -33    2    9 o  1475.73   98.230   34.832   4.5132   36.028   7.5273   34.161   5.6392  1472.93  166.109  1451.85  125.271 21.08325 208.0503 
1 1 1  -33    2   11 f  1353.65  121.054   29.673   5.0768   32.855   7.0738   26.292   7.2906  1406.42  163.690  1242.14  193.769 164.2830 253.6553 
1 1 1  -33    2   13 o  1314.39  118.502   27.968   4.8247   28.792   6.8840   27.173   6.7639  1310.92  171.844  1271.77  174.450 39.14893 244.8737 
1 1 1  -33    2   15 o  1282.71  123.050   26.737   4.8816   23.428   6.7363   30.397   7.0841  1170.88  190.268  1346.25  171.982 -175.3685 256.4758 
1 1 1  -33    2   17 f  431.865  169.403   2.0268   3.3404   4.0283   4.9741   0.3827   4.5082  548.682  208.940  434.689  186.039 113.9927 279.7614 
1 1 1  -33    2   19 o  3668.65  152.193  221.040   17.483  207.469   24.707  234.649   24.742  3446.96  230.240  3690.61  215.036 -243.6563 315.0409 
1 1 1  -33    2   21 o  779.125  133.041   10.120   3.1292   17.540   5.2168   5.9501   3.9109  1015.07  170.153  593.177  187.822 421.8951 253.4346 
1 1 1  -33    2   23 o  2821.46   92.824  127.164   8.2007  135.512   11.653  118.975   11.543  2886.00  128.954  2694.45  137.263 191.5510 188.3356 
1 1 1  -33    2   25 o  1438.38   88.797   33.148   3.9798   31.894   5.7352   34.313   5.5271  1391.18  133.289  1448.64  123.010 -57.45996 181.3767 
1 1 1  -33    2   27 o  1465.88   87.871   34.450   4.0147   31.284   5.8583   37.254   5.5127  1373.20  138.118  1510.94  117.444 -137.7382 181.2998 
1 1 1  -33    2   29 f  372.194  145.415   1.5519   2.4538   0.4294   3.5572   2.5709   3.3893  387.800  165.595  447.208  171.952 -59.40765 238.7242 
1 1 1  -33    2   31 o  655.659  147.822   7.4489   2.9623   10.095   4.2610   4.9733   4.1212  750.229  183.015  548.579  193.159 201.6505 266.0925 
1 1 1  -33    2   33 f  328.734  140.409   0.2701   2.5586  -1.6390   3.7944   1.8620   3.4649  347.423  158.264  421.124  170.065 -73.70065 232.3135 
1 1 1  -33    2   35 o  737.547  131.621   9.3787   2.9282   5.5078   4.4074   12.437   3.9179  558.687  199.427  838.351  154.955 -279.6649 252.5515 
1 1 1  -33    2   37 o  331.121  146.000  -0.1479   2.9530  -6.1370   5.4556   2.3338   3.5119  345.588  166.883  426.027  171.505 -80.43961 239.2989 
1 1 1  -33    2   39 o  1028.99  131.143   18.794   4.1294   14.358   7.1913   20.976   5.0439  760.886  255.606  1063.02  156.191 -302.1345 299.5495 
1 1 1  -33    2   41 o  1055.91  227.165   25.863   7.2879   0.0000   0.0000   25.863   7.2879  ?   ?   1055.91  227.165 0.000000 227.1647 
1 1 1  -33    2   43 o  494.388  188.790   5.5967   4.0681   9.1135   6.1289   2.8270   5.4390  565.768  226.988  433.470  194.189 132.2978 298.7185 
1 1 1  -33    2   45 o  1477.44  108.000   39.849   4.9617   44.050   6.2314   32.572   8.2015  1497.44  134.327  1038.69  254.227 458.7418 287.5329 
1 1 1  -33    2   47 o  699.941  162.786   11.325   3.5004   11.639   4.4926   10.841   5.5841  632.718  201.410  546.414  217.528 86.30298 296.4530 
1 1 1  -33    2   49 o  1129.28  134.420   27.473   4.6598   29.982   5.9249   23.404   7.5448  1066.05  184.154  665.419  256.364 400.6352 315.6500 
1 1 1  -33    2   51 o  1730.37  100.508   58.995   5.4223   62.392   7.7787   55.783   7.5624  1544.83  163.284  1430.96  172.237 113.8685 237.3333 
1 1 1  -33    2   53 o  736.755  151.031   14.530   3.3672   11.399   4.7731   17.632   4.7508  451.841  192.353  642.195  207.402 -190.3536 282.8694 
1 1 1  -33    3    2 o  1063.92  104.984   18.227   3.4518   17.543   5.6840   18.627   4.3448  1015.06  185.674  1066.95  132.932 -51.88507 228.3542 
1 1 1  -33    3    4 f  359.334  145.076   1.0213   2.5208   0.7523   4.3364   1.1585   3.0980  438.471  184.839  393.464  160.118 45.00653 244.5464 
1 1 1  -33    3    6 o  524.431  157.302   4.5583   2.7884   2.4705   4.8486   5.5899   3.4084  503.475  201.929  577.999  174.036 -74.52399 266.5785 
1 1 1  -33    3    8 o  699.664  156.865   8.2869   3.3517   12.138   5.1755   5.5046   4.3988  835.942  200.339  587.389  199.898 248.5529 283.0099 
1 1 1  -33    3   10 o  762.889  145.806   9.7416   3.3560   9.5628   4.8325   9.9083   4.6642  741.946  202.397  756.016  195.557 -14.07092 281.4378 
1 1 1  -33    3   12 o  390.781  159.409   1.1167   3.0800  -4.5490   4.5628   5.8590   4.1745  345.361  162.760  596.487  194.548 -251.1261 253.6524 
1 1 1  -33    3   14 o  853.366  154.135   12.229   3.9671   8.6405   5.7324   15.528   5.4956  709.022  227.702  949.177  191.511 -240.1547 297.5308 
1 1 1  -33    3   16 o  358.749  150.945   0.4512   2.8831   2.0480   4.2287  -0.9357   3.9410  467.507  188.199  378.326  167.645 89.18124 252.0387 
1 1 1  -33    3   18 o  1436.30  118.880   33.435   5.2985   41.233   7.6146   26.116   7.3774  1577.49  156.210  1231.39  198.047 346.1014 252.2380 
1 1 1  -33    3   20 o  1192.69   94.803   22.834   3.5113   26.668   5.2347   19.698   4.7344  1275.04  133.076  1090.41  142.032 184.6271 194.6337 
1 1 1  -33    3   22 o  2804.45   93.417  125.565   8.2034  127.089   11.763  124.122   11.446  2792.55  134.528  2761.49  132.368 31.06250 188.7307 
1 1 1  -33    3   24 o  2200.56   86.911   77.185   5.9886   78.210   8.5465   76.197   8.3939  2191.23  125.080  2163.18  124.449 28.04370 176.4439 
1 1 1  -33    3   26 o  1652.33   86.491   43.671   4.4594   39.481   6.3380   47.779   6.2755  1549.15  131.915  1713.33  117.688 -164.1844 176.7824 
1 1 1  -33    3   28 o  1730.25   85.431   47.806   4.6285   47.933   6.6572   47.688   6.4397  1709.47  125.241  1707.51  121.231 1.963501 174.3054 
1 1 1  -33    3   30 o  1904.21   86.871   58.059   5.1797   62.396   7.4265   53.952   7.2279  1949.62  122.270  1808.06  128.505 141.5669 177.3796 
1 1 1  -33    3   32 o  2360.21   89.588   89.607   6.6209   90.080   9.3777   89.137   9.3493  2330.32  129.020  2317.74  129.340 12.58154 182.6880 
1 1 1  -33    3   34 o  1161.45  115.893   22.443   4.1585   21.063   4.9680   25.672   7.6007  1105.58  147.163  1165.60  216.213 -60.02148 261.5434 
1 1 1  -33    3   36 f  317.382  143.727  -1.0463   3.0722  -3.9587   6.5250  -0.2168   3.4823  413.202  194.702  357.293  157.991 55.90909 250.7390 
1 1 1  -33    3   38 o  2511.76  106.546  105.940   8.3798  112.555   14.827  102.836   10.158  2390.85  199.892  2424.42  134.328 -33.56641 240.8333 
1 1 1  -33    3   40 o  299.755  141.176  -2.3072   3.4228   0.0000   0.0000  -2.3072   3.4228  ?   ?   299.755  141.176 0.000000 141.1762 
1 1 1  -33    3   42 o  1522.92  108.624   40.824   5.1459   43.860   6.3703   35.123   8.7298  1536.17  133.769  1181.44  244.059 354.7358 278.3143 
1 1 1  -33    3   44 o  417.327  179.814   3.1720   4.2641   3.1720   4.2641   0.0000   0.0000  417.327  179.814  ?   ?  0.000000 179.8136 
1 1 1  -33    3   46 o  1253.83  122.119   30.359   4.7336   29.728   5.9014   31.499   7.9267  1150.32  168.868  993.377  253.880 156.9458 304.9122 
1 1 1  -33    3   48 o  998.974  138.837   21.280   4.2255   22.634   5.4749   19.286   6.6450  915.988  196.755  680.387  244.658 235.6006 313.9592 
1 1 1  -33    3   50 o  832.846  163.494   17.409   4.1115   18.065   5.4863   16.570   6.2097  685.477  223.003  573.914  229.102 111.5628 319.7155 
1 1 1  -33    3   52 o  869.262  133.586   17.677   3.5197   14.928   4.8024   20.867   5.1734  584.721  208.230  742.490  212.015 -157.7700 297.1702 
1 1 1  -33    3   54 o  761.707  154.273   16.509   3.5534   11.282   4.8752   22.434   5.1900  414.553  184.914  687.647  216.204 -273.0939 284.4953 
1 1 1  -33    4    1 o  486.703  159.792   3.7574   2.8145   1.6902   4.6616   4.9433   3.5306  476.089  195.378  551.772  178.856 -75.68292 264.8808 
1 1 1  -33    4    3 o  232.395  110.577  -2.7289   2.2038   0.0000   3.3258  -4.8651   2.9425  370.549  159.221  248.470  120.611 122.0785 199.7458 
1 1 1  -33    4    5 o  1061.47  110.604   18.192   3.6222   19.620   6.2808   17.480   4.4338  1071.59  194.340  1030.63  141.096 40.96179 240.1583 
1 1 1  -33    4    7 o  430.567  152.641   2.6776   2.5778   3.8943   4.0643   1.8587   3.3342  523.074  190.862  427.693  168.774 95.38120 254.7800 
1 1 1  -33    4    9 o  758.417  154.992   9.6900   3.5564   15.802   4.9347   3.0845   5.1301  968.727  168.819  529.460  209.216 439.2673 268.8333 
1 1 1  -33    4   11 o  1345.98  119.929   29.302   5.0016   35.195   7.0774   23.423   7.0693  1460.16  157.275  1168.91  200.351 291.2474 254.7076 
1 1 1  -33    4   13 o  617.935  163.301   6.4926   3.2073   8.8360   4.7768   4.5688   4.3280  713.993  203.674  552.106  197.564 161.8876 283.7516 
1 1 1  -33    4   15 o  945.304  138.905   14.771   3.9889   17.822   6.0868   12.474   5.2811  1015.39  198.556  845.039  202.275 170.3510 283.4431 
1 1 1  -33    4   17 o  556.170  174.838   5.1357   3.3942   9.3941   4.8643   1.0949   4.7384  733.049  204.290  461.754  193.857 271.2945 281.6293 
1 1 1  -33    4   19 o  862.858  110.892   12.130   2.9268   13.681   4.3054   10.797   3.9906  900.530  158.473  795.322  165.624 105.2079 229.2272 
1 1 1  -33    4   21 o  256.419  118.635  -1.7432   2.2484   0.1758   3.2240  -3.5605   3.1373  367.952  157.397  280.237  132.928 87.71439 206.0188 
1 1 1  -33    4   23 o  1707.79   84.178   46.400   4.5014   46.206   6.4340   46.586   6.3001  1685.20  122.775  1693.79  119.555 -8.588623 171.3685 
1 1 1  -33    4   25 o  773.228  123.502   9.9180   2.8896   15.304   4.3208   5.5606   3.8866  953.572  149.635  575.428  187.720 378.1439 240.0610 
1 1 1  -33    4   27 o  1218.93   93.203   23.913   3.5304   23.588   5.1620   24.199   4.8390  1190.07  141.286  1211.22  129.602 -21.14941 191.7246 
1 1 1  -33    4   29 o  1761.61   88.587   49.781   4.8709   43.362   6.9862   55.853   6.7948  1615.31  139.492  1849.40  117.950 -234.0875 182.6753 
1 1 1  -33    4   31 o  1295.50   91.493   27.099   3.6876   23.387   5.3879   30.370   5.0577  1173.45  150.074  1357.28  120.251 -183.8331 192.3085 
1 1 1  -33    4   33 o  1586.88  134.661   42.312   6.6280   37.504   9.9042   46.212   8.9198  1404.02  233.484  1618.17  179.041 -214.1460 294.2286 
1 1 1  -33    4   35 o  1210.44  106.476   24.269   3.9946   32.222   7.5957   21.229   4.6965  1325.33  188.328  1111.37  137.922 213.9674 233.4303 
1 1 1  -33    4   37 o  576.989  167.382   6.2529   3.2011  -2.1029   6.8314   8.6038   3.6236  439.437  204.502  674.481  171.261 -235.0442 266.7424 
1 1 1  -33    4   39 o  342.641  154.111  -0.3687   3.4628   0.0000   0.0000  -0.3687   3.4628  ?   ?   342.641  154.111 0.000000 154.1105 
1 1 1  -33    4   41 o  654.907  168.474   8.7444   3.4746   8.8750   4.7999   8.6007   5.0363  616.291  208.817  601.812  213.356 14.47888 298.5386 
1 1 1  -33    4   43 o  599.738  174.651   7.9282   3.4792   8.0626   4.3533   7.6904   5.7888  574.186  198.739  536.625  218.680 37.56079 295.4966 
1 1 1  -33    4   45 o  378.569  169.494   1.8734   4.1371   1.8734   4.1371   0.0000   0.0000  378.569  169.494  ?   ?  0.000000 169.4942 
1 1 1  -33    4   47 o  686.248  171.556   11.313   3.6765   9.2775   4.5646   15.072   6.2031  547.426  201.884  630.471  234.781 -83.04553 309.6442 
1 1 1  -33    4   49 o  1142.07  133.826   27.927   4.6950   29.941   5.9088   24.476   7.7328  1072.01  182.571  680.673  260.201 391.3417 317.8628 
1 1 1  -33    4   51 f  1275.65  106.575   32.794   4.2180   37.880   5.7164   26.715   6.2496  1248.91  149.124  828.501  231.796 420.4087 275.6212 
1 1 1  -33    4   53 o  2137.19  106.615   96.871   7.1348   96.681   9.9473   97.072   10.239  1729.68  186.621  1680.73  198.382 48.94617 272.3650 
1 1 1  -33    5    2 o  807.116  133.012   10.751   3.2445   10.766   5.5201   10.743   4.0103  785.578  217.156  796.781  166.120 -11.20349 273.4088 
1 1 1  -33    5    4 o  315.497  135.629  -0.0725   2.4152   2.9192   3.8217  -2.0618   3.1164  482.533  183.290  308.831  141.715 173.7019 231.6865 
1 1 1  -33    5    6 o  1359.27  123.485   29.892   5.1985   33.226   7.4793   26.777   7.2305  1412.91  172.647  1259.00  189.267 153.9138 256.1816 
1 1 1  -33    5    8 o  302.502  138.134  -1.7613   2.9127   9.2897   4.3871 -10.4722   3.8950  734.570  189.487  243.641  121.876 490.9294 225.2980 
1 1 1  -33    5   10 o  604.784  174.517   6.1803   3.4882   5.1517   5.2724   6.9810   4.6517  593.428  217.257  645.214  204.899 -51.78571 298.6368 
1 1 1  -33    5   12 o  1044.87  132.836   17.878   4.2478   19.938   6.0762   15.909   5.9407  1083.33  185.814  957.756  204.324 125.5705 276.1791 
1 1 1  -33    5   14 o  422.658  165.143   1.9339   3.1649   4.9073   4.4709  -1.0529   4.4810  567.063  201.023  402.985  178.656 164.0782 268.9397 
1 1 1  -33    5   16 o  479.836  162.158   3.5898   2.8944   4.1493   3.6696   2.6684   4.7088  521.131  182.347  502.855  199.890 18.27640 270.5670 
1 1 1  -33    5   18 o  912.074  108.450   13.498   3.0365   12.193   4.5918   14.511   4.0480  842.230  179.599  934.814  142.825 -92.58472 229.4666 
1 1 1  -33    5   20 o  702.094  132.528   8.2318   2.8067   13.643   3.9659   2.8024   3.9728  904.315  144.952  480.653  185.790 423.6616 235.6463 
1 1 1  -33    5   22 o  1899.37   85.439   57.374   5.0814   55.959   7.2105   58.770   7.1622  1855.76  124.813  1904.19  120.745 -48.43127 173.6596 
1 1 1  -33    5   24 o  1751.21   86.016   48.827   4.7167   50.514   6.7264   47.195   6.6157  1762.30  122.660  1701.93  125.017 60.37354 175.1418 
1 1 1  -33    5   26 o  1358.45   91.395   29.605   3.8650   30.222   5.5939   29.042   5.3464  1354.45  133.640  1329.21  130.123 25.23474 186.5252 
1 1 1  -33    5   28 o  1511.92   89.296   36.666   4.2087   34.554   6.1011   38.585   5.8133  1444.76  136.480  1535.54  121.908 -90.77686 182.9983 
1 1 1  -33    5   30 o  1209.22   96.841   23.668   3.6360   24.271   5.3369   23.145   4.9671  1201.19  144.811  1176.69  137.398 24.50891 199.6212 
1 1 1  -33    5   32 o  1980.53  126.461   65.002   7.8016   69.752   11.612   61.094   10.533  1986.65  188.943  1865.44  182.667 121.2124 262.8055 
1 1 1  -33    5   34 o  996.461  119.635   16.654   3.6582   19.961   6.8106   15.313   4.3369  1019.28  219.853  935.797  153.319 83.48169 268.0339 
1 1 1  -33    5   36 o  2311.24  104.955   88.428   7.5956   94.164   13.676   85.870   9.1339  2232.09  197.720  2241.57  130.699 -9.472900 237.0137 
1 1 1  -33    5   38 o  836.205  141.910   12.605   3.5829   21.299   7.5019   10.036   4.0780  972.136  246.190  713.811  181.920 258.3252 306.1121 
1 1 1  -33    5   40 o  460.720  157.184   4.0212   2.7199   6.1387   4.2440   2.5454   3.5431  540.044  195.343  416.617  170.578 123.4266 259.3376 
1 1 1  -33    5   42 o  748.558  167.975   11.538   3.8404   7.3504   4.9796   17.687   6.0333  550.650  209.207  850.147  223.639 -299.4976 306.2383 
1 1 1  -33    5   44 o  963.159  139.329   18.147   4.0799   18.699   5.3993   17.413   6.2290  889.575  198.835  783.019  235.162 106.5562 307.9557 
1 1 1  -33    5   46 o  1979.92  151.639   82.868   9.3296   82.868   9.3296   0.0000   0.0000  1979.92  151.639  ?   ?  0.000000 151.6393 
1 1 1  -33    5   48 o  282.162  134.267  -1.1154   3.2504  -1.8226   4.1549   0.0000   5.2182  298.929  144.672  342.450  164.836 -43.52090 219.3193 
1 1 1  -33    5   50 o  784.920  148.959   14.425   3.5271   16.021   4.2841   11.065   6.2143  761.515  182.120  465.865  208.215 295.6500 276.6248 
1 1 1  -33    5   52 o  408.282  158.348   5.3135   2.8933   4.3178   3.7883   6.7076   4.4823  356.484  160.683  392.117  175.930 -35.63367 238.2656 
1 1 1  -33    6    1 o  447.078  165.685   2.6429   3.0818   0.0000   0.0000   2.6429   3.0818  ?   ?   447.078  165.685 0.000000 165.6848 
1 1 1  -33    6    3 o  465.014  157.713   3.3156   2.7381   1.1904   4.8022   4.3392   3.3329  469.680  196.025  523.624  173.982 -53.94449 262.0984 
1 1 1  -33    6    5 o  997.165  101.132   15.981   3.1140   10.646   4.4537   21.083   4.3558  788.577  183.769  1140.03  124.021 -351.4560 221.7029 
1 1 1  -33    6    7 o  1063.11  110.418   18.230   3.6220   27.213   4.7661   5.9514   5.5724  1298.46  118.532  625.204  224.127 673.2557 253.5401 
1 1 1  -33    6    9 o  407.920  157.152   1.8935   2.8351   2.9883   3.7958   0.5121   4.2637  484.071  182.957  429.776  182.340 54.29532 258.3040 
1 1 1  -33    6   11 o  962.229  118.145   15.044   3.4849   12.126   4.3839   20.055   5.7441  845.650  171.426  1092.75  173.686 -247.0967 244.0363 
1 1 1  -33    6   13 o  464.390  157.585   3.3186   2.7336   1.3909   3.4195   6.7322   4.5503  415.951  168.605  634.839  202.765 -218.8879 263.7067 
1 1 1  -33    6   15 o  1457.14  102.239   34.024   4.6353   34.397   5.8124   33.371   7.6828  1455.46  128.870  1411.20  177.812 44.25928 219.6013 
1 1 1  -33    6   17 o  442.938  148.078   3.0541   2.4134   4.6689   3.7892   1.9521   3.1304  543.962  185.529  421.603  164.375 122.3596 247.8714 
1 1 1  -33    6   19 o  1139.21   96.511   20.827   3.4103   23.634   5.0225   18.425   4.6454  1200.34  136.030  1055.06  144.406 145.2777 198.3864 
1 1 1  -33    6   21 o  1342.77   90.195   28.820   3.7703   30.883   5.5436   27.045   5.1428  1375.30  130.282  1286.66  129.405 88.63904 183.6276 
1 1 1  -33    6   23 o  1827.83   85.660   53.135   4.9027   56.407   7.1619   50.250   6.7255  1864.04  123.400  1759.23  122.863 104.8105 174.1352 
1 1 1  -33    6   25 o  1722.73   85.127   47.239   4.5920   51.799   6.6605   43.108   6.3396  1786.08  119.787  1625.83  125.499 160.2565 173.4911 
1 1 1  -33    6   27 o  881.520  113.037   12.737   3.0482   15.428   4.5097   10.474   4.1362  953.745  156.432  775.437  174.558 178.3087 234.3961 
1 1 1  -33    6   29 o  2683.40   93.038  115.454   7.8174  117.436   11.198  113.569   10.918  2669.55  134.395  2626.29  133.204 43.25952 189.2231 
1 1 1  -33    6   31 o  714.078  185.204   9.1726   4.1761   5.4865   6.2032   12.228   5.6476  599.431  232.031  809.276  217.988 -209.8448 318.3663 
1 1 1  -33    6   33 o  1297.10  107.384   27.660   4.3222   31.812   8.5116   26.217   5.0172  1305.68  215.724  1248.86  130.217 56.81592 251.9785 
1 1 1  -33    6   35 o  881.674  131.162   13.374   3.5107   18.460   6.6227   11.386   4.1403  963.739  223.760  787.205  172.716 176.5335 282.6650 
1 1 1  -33    6   37 o  914.704  112.262   14.243   3.1479   18.796   4.8676   10.971   4.1270  1015.54  158.230  757.356  177.179 258.1855 237.5477 
1 1 1  -33    6   39 o  552.196  169.193   5.9990   3.2017   7.4865   6.8046   5.5761   3.6284  582.669  237.228  529.779  181.544 52.89014 298.7230 
1 1 1  -33    6   41 o  627.653  175.376   8.2371   3.5799   9.8850   4.5028   5.4057   5.9022  661.548  200.223  510.189  215.387 151.3596 294.0764 
1 1 1  -33    6   43 o  1014.82  139.951   19.800   4.3288   18.497   5.5007   21.920   7.0159  895.409  201.107  898.833  243.321 -3.423401 315.6720 
1 1 1  -33    6   45 o  1197.55  125.100   27.362   4.6218   28.473   6.0660   25.824   7.1359  1128.93  177.456  950.820  239.736 178.1132 298.2679 
1 1 1  -33    6   47 f  524.732  203.439   8.6940   4.7745   8.6940   4.7745   0.0000   0.0000  524.732  203.439  ?   ?  0.000000 203.4395 
1 1 1  -33    6   49 o  402.795  168.574   4.4418   3.5653   3.4388   4.5662   6.0081   5.7063  376.759  172.390  415.387  191.037 -38.62762 257.3197 
1 1 1  -33    6   51 o  1746.99  116.200   63.675   6.3202   62.532   7.6511   66.129   11.214  1581.67  156.542  1034.81  316.573 546.8611 353.1633 
1 1 1  -33    7    2 o  620.091  139.486   6.4356   2.6427   6.3617   4.1091   6.4878   3.4512  618.263  192.050  619.735  171.850 -1.472473 257.7127 
1 1 1  -33    7    4 o  652.610  139.599   7.1165   2.7664   11.461   4.0551   3.3342   3.7835  825.699  162.628  496.568  183.669 329.1314 245.3200 
1 1 1  -33    7    6 o  748.766  143.411   9.3387   3.2399   12.386   4.1885   4.7989   5.1124  859.385  161.582  580.879  213.741 278.5059 267.9439 
1 1 1  -33    7    8 o  1048.33  111.372   17.731   3.5999   18.396   4.4490   16.469   6.1263  1060.17  137.240  976.940  206.720 83.22949 248.1288 
1 1 1  -33    7   10 f  546.774  160.659   4.9757   2.9324   4.9612   3.8275   4.9964   4.5628  558.317  186.482  574.248  203.133 -15.93109 275.7508 
1 1 1  -33    7   12 o  660.164  151.613   7.3480   3.0680   8.9285   3.9241   4.8626   4.9207  723.261  175.137  577.370  210.112 145.8917 273.5323 
1 1 1  -33    7   14 o  2252.41  101.093   80.818   7.1299   88.642   8.8943   66.749   11.927  2347.13  121.435  1994.44  193.406 352.6918 228.3688 
1 1 1  -33    7   16 o  673.772  138.021   7.5930   2.8140   10.833   4.3886   5.3309   3.6670  794.874  180.449  569.499  182.036 225.3749 256.3182 
1 1 1  -33    7   18 o  1943.93   84.683   59.944   5.1546   70.079   7.5886   51.261   7.0236  2086.73  116.605  1779.18  126.905 307.5486 172.3415 
1 1 1  -33    7   20 o  1516.17   87.739   36.639   4.1476   40.209   5.9841   33.339   5.7538  1575.73  122.239  1430.94  129.830 144.7954 178.3204 
1 1 1  -33    7   22 o  2649.42   91.590  111.768   7.5983  108.956   10.796  114.528   10.696  2588.48  133.656  2660.54  128.389 -72.06128 185.3313 
1 1 1  -33    7   24 o  1736.59   85.397   47.960   4.6436   54.181   6.7334   42.319   6.4125  1829.37  118.180  1611.14  128.169 218.2354 174.3384 
1 1 1  -33    7   26 f  629.020  142.642   6.7262   2.7448   2.0227   4.4102   9.7001   3.5068  470.097  191.142  754.461  153.662 -284.3647 245.2490 
1 1 1  -33    7   28 o  548.572  161.467   5.1472   2.9597   1.5061   5.6864   6.5002   3.4663  498.935  211.067  611.364  173.187 -112.4290 273.0254 
1 1 1  -33    7   30 o  652.160  197.065   7.6039   4.3644   12.395   6.6875   4.0498   5.7601  807.304  243.937  556.576  221.133 250.7278 329.2491 
1 1 1  -33    7   32 o  2686.79  108.157  117.714   9.0992  130.565   15.923  111.482   11.088  2717.71  188.277  2580.01  137.747 137.6924 233.2867 
1 1 1  -33    7   34 o  2036.05  103.423   68.097   6.5719   78.363   11.847   63.533   7.8988  2084.10  183.402  1939.49  130.829 144.6069 225.2833 
1 1 1  -33    7   36 o  2038.99   88.898   67.907   5.6757   63.582   8.0785   72.123   7.9759  1917.89  135.391  2058.14  124.346 -140.2531 183.8280 
1 1 1  -33    7   38 o  1531.36   90.504   38.879   4.3204   38.401   6.2782   39.308   5.9547  1469.41  138.070  1499.10  128.085 -29.68665 188.3324 
1 1 1  -33    7   40 o  513.575  175.875   5.3157   3.4053   6.9845   4.3654   2.7218   5.4424  567.484  198.867  458.453  200.279 109.0304 282.2407 
1 1 1  -33    7   42 o  518.092  177.968   5.7852   3.4877   5.6079   4.4418   6.0703   5.6321  503.705  195.963  513.865  213.192 -10.15924 289.5727 
1 1 1  -33    7   44 o  1385.40  114.704   35.032   4.9311   36.517   6.0857   32.194   8.4143  1358.93  145.272  1059.62  256.379 299.3016 294.6759 
1 1 1  -33    7   46 o  344.213  153.566   1.2460   3.3640  -0.1205   4.2949   3.4150   5.4109  340.698  159.724  415.206  189.084 -74.50778 247.5170 
1 1 1  -33    7   48 o  821.389  216.550   20.065   5.6488   20.065   5.6488   0.0000   0.0000  821.389  216.550  ?   ?  0.000000 216.5503 
1 1 1  -33    7   50 o  506.830  188.807   8.6375   4.0123   10.085   5.2074   6.5223   6.2944  488.755  204.069  403.404  190.432 85.35132 279.1207 
1 1 1  -33    7   52 o  571.858  171.567   9.9070   3.3168   12.962   4.4919   6.2440   4.9183  565.352  201.380  379.298  175.477 186.0540 267.1065 
1 1 1  -33    8    1 f  594.169  145.662   5.9258   2.6891   5.1302   4.0296   6.5646   3.6107  569.420  191.337  623.831  176.774 -54.41071 260.4974 
1 1 1  -33    8    3 o  1133.27   99.513   20.557   3.4955   18.441   5.1869   22.318   4.7313  1053.73  162.422  1172.09  131.163 -118.3633 208.7691 
1 1 1  -33    8    5 o  882.503  130.670   12.754   3.5017   15.807   4.4301   7.6707   5.7166  978.452  149.328  683.636  227.892 294.8161 272.4586 
1 1 1  -33    8    7 f  786.379  138.807   10.234   3.2929   11.092   4.2163   8.8917   5.2728  809.832  171.604  721.420  216.293 88.41235 276.0991 
1 1 1  -33    8    9 o  1383.17  104.297   30.619   4.4839   38.824   5.6694   16.916   7.3271  1554.13  117.368  978.557  240.772 575.5729 267.8551 
1 1 1  -33    8   11 o  845.844  132.457   11.762   3.3930   14.964   4.3550   6.8146   5.4125  950.146  151.465  650.776  221.737 299.3696 268.5312 
1 1 1  -33    8   13 o  1482.18   88.455   34.949   4.0865   41.282   6.0972   29.783   5.5064  1600.13  122.624  1354.62  131.473 245.5101 179.7821 
1 1 1  -33    8   15 f  374.491  144.815   1.5382   2.4144   0.5099   4.0655   2.0984   3.0009  420.785  178.262  422.743  161.977 -1.957703 240.8606 
1 1 1  -33    8   17 o  1110.21   98.471   19.766   3.3876   17.774   5.2310   21.205   4.4459  1029.25  168.116  1141.72  126.485 -112.4717 210.3841 
1 1 1  -33    8   19 o  2224.49   87.566   78.546   6.0993   87.846   8.8175   70.013   8.4460  2335.17  121.005  2079.27  130.385 255.8953 177.8826 
1 1 1  -33    8   21 o  880.251  112.111   12.605   3.0199   7.8460   4.8857   15.548   3.8418  676.308  209.304  973.506  129.223 -297.1984 245.9813 
1 1 1  -33    8   23 o  2427.26   88.833   93.724   6.7516   98.179   9.6725   89.490   9.4287  2461.82  125.898  2348.30  128.718 113.5149 180.0520 
1 1 1  -33    8   25 o  965.805  105.218   15.124   3.1305   21.536   4.5189   9.2082   4.3409  1145.83  128.142  725.338  189.162 420.4916 228.4793 
1 1 1  -33    8   27 f  2062.07   99.683   68.203   6.4364   82.332   11.754   62.152   7.6921  2209.53  171.232  1950.64  126.621 258.8938 212.9629 
1 1 1  -33    8   29 o  1990.03  100.946   63.929   6.2696   62.868   11.083   64.428   7.6032  1904.54  188.309  1983.44  123.029 -78.89392 224.9362 
1 1 1  -33    8   31 o  1284.22  107.715   26.983   4.2915   33.915   8.2911   24.447   5.0156  1376.01  198.143  1207.35  134.980 168.6608 239.7500 
1 1 1  -33    8   33 o  842.023  121.273   11.959   3.1052   14.176   4.4617   9.8766   4.3244  892.583  165.738  729.875  188.053 162.7082 250.6655 
1 1 1  -33    8   35 o  838.961  123.946   12.063   3.1580   16.447   4.7393   8.5611   4.2353  953.270  164.734  667.156  192.238 286.1149 253.1652 
1 1 1  -33    8   37 o  1197.01  115.413   24.462   4.2722   29.111   7.9703   22.587   5.0606  1186.79  222.659  1121.49  147.702 65.29419 267.1944 
1 1 1  -33    8   39 o  1282.03  118.120   28.631   4.6884   30.789   6.1014   25.519   7.3263  1285.64  154.666  1080.98  223.816 204.6548 272.0576 
1 1 1  -33    8   41 o  1540.11  135.939   43.608   6.4883   32.864   9.4420   53.221   8.9311  1102.19  274.595  1618.31  179.260 -516.1234 327.9272 
1 1 1  -33    8   43 o  404.428  165.352   2.8103   3.3234   4.5002   4.7097   1.1342   4.6904  465.057  194.114  392.019  177.552 73.03833 263.0688 
1 1 1  -33    8   45 o  339.907  150.528   1.0151   3.1726  -2.4467   4.2868   5.2072   4.7174  313.371  150.479  462.805  193.817 -149.4333 245.3751 
1 1 1  -33    8   47 o  706.907  184.175   12.444   4.1176   14.518   5.3651   9.4705   6.4230  686.189  220.278  505.712  219.283 180.4776 310.8176 
1 1 1  -33    8   49 o  390.781  167.474   3.8970   3.6622   4.5679   4.5979   2.7327   6.0570  402.008  179.429  376.313  180.215 25.69507 254.3074 
1 1 1  -33    8   51 o  1584.14  125.893   54.163   6.1932   56.440   7.6557   49.851   10.536  1465.82  169.949  812.657  305.316 653.1595 349.4286 
1 1 1  -33    9    2 o  921.767  126.084   13.849   3.5437   12.378   6.5637   14.454   4.2100  841.141  238.333  935.195  148.751 -94.05432 280.9438 
1 1 1  -33    9    4 o  1031.74  119.896   17.229   3.8012   19.275   4.7672   13.657   6.2985  1084.68  143.915  884.939  226.385 199.7394 268.2571 
1 1 1  -33    9    6 o  742.657  146.434   9.1899   3.2842   11.515   4.1189   5.1319   5.4418  828.185  164.630  600.383  220.581 227.8016 275.2436 
1 1 1  -33    9    8 o  1270.54  112.941   25.937   4.4464   29.731   5.7284   20.186   7.0522  1353.16  137.089  1083.14  215.515 270.0168 255.4214 
1 1 1  -33    9   10 o  997.213  117.664   16.095   3.6033   19.093   4.4892   10.665   6.0416  1081.90  135.484  784.977  230.593 296.9255 267.4492 
1 1 1  -33    9   12 o  356.246  142.492   1.0804   2.4072   0.2987   4.1653   1.4724   2.9496  421.025  179.472  398.244  158.236 22.78125 239.2673 
1 1 1  -33    9   14 o  665.619  133.709   7.3676   2.6900   5.7196   4.5643   8.2447   3.3298  600.216  203.627  699.587  155.982 -99.37103 256.5036 
1 1 1  -33    9   16 o  480.759  152.280   3.7220   2.5706   2.2788   3.9067   4.8239   3.4138  464.956  182.940  545.701  175.766 -80.74435 253.6941 
1 1 1  -33    9   18 o  958.005  104.721   14.800   3.0902   12.677   4.8585   16.243   4.0046  860.225  185.805  996.140  131.611 -135.9146 227.6951 
1 1 1  -33    9   20 o  652.071  146.488   7.1674   2.9180   5.5188   4.4019   8.4596   3.8973  587.597  199.969  702.294  177.222 -114.6968 267.1988 
1 1 1  -33    9   22 o  1998.69   86.616   63.447   5.4208   63.143   7.8750   63.722   7.4731  1973.51  128.130  1986.38  120.722 -12.87720 176.0430 
1 1 1  -33    9   24 o  1694.05  100.022   46.023   5.2821   38.470   9.5062   49.397   6.3532  1489.92  209.556  1747.85  116.755 -257.9257 239.8860 
1 1 1  -33    9   26 o  709.268  145.647   8.5318   3.1264   4.7945   6.7308   9.5600   3.5303  606.980  239.708  748.266  155.740 -141.2859 285.8586 
1 1 1  -33    9   28 o  970.237  116.281   15.461   3.4623   21.951   6.7500   13.143   4.0333  1113.45  201.002  879.195  152.007 234.2502 252.0080 
1 1 1  -33    9   30 o  1737.45   89.575   48.580   4.8566   44.810   7.0151   52.050   6.7304  1638.33  138.032  1778.63  121.577 -140.2979 183.9397 
1 1 1  -33    9   32 o  653.024  144.929   7.4522   2.8861   7.6287   4.4822   7.3272   3.7721  642.594  200.740  634.610  180.978 7.983459 270.2772 
1 1 1  -33    9   34 o  664.740  147.630   7.8646   2.9929   3.8649   4.5140   11.002   3.9979  504.533  197.199  776.213  169.260 -271.6800 259.8779 
1 1 1  -33    9   36 o  473.344  183.352   3.5631   3.8755   4.7338   5.5640   2.4599   5.4011  534.632  215.647  478.216  204.122 56.41666 296.9330 
1 1 1  -33    9   38 o  1092.20  121.012   20.747   4.0690   18.252   5.1233   25.008   6.6964  974.960  174.213  1114.07  199.277 -139.1076 264.6913 
1 1 1  -33    9   40 o  806.846  159.586   12.565   3.8890   10.742   4.9287   15.571   6.3305  691.212  209.543  802.671  236.113 -111.4593 315.6857 
1 1 1  -33    9   42 o  782.261  204.939   14.044   5.0801   9.8230   7.6652   17.351   6.7838  583.983  245.940  800.926  246.429 -216.9431 348.1574 
1 1 1  -33    9   44 o  613.107  180.055   8.5666   3.6840   5.3790   4.8238   13.028   5.7068  479.331  197.955  681.190  227.706 -201.8589 301.7220 
1 1 1  -33    9   46 o  771.801  170.770   13.378   4.0177   19.393   5.4246   6.0703   5.9796  882.323  200.855  467.242  206.800 415.0801 288.2861 
1 1 1  -33    9   48 o  1557.95  121.422   47.747   5.8766   48.810   7.2751   45.752   9.9689  1469.80  160.692  1066.29  290.624 403.5117 332.0909 
1 1 1  -33    9   50 o  247.253  122.655  -4.3441   3.6145  -3.2262   4.6475  -6.0552   5.7500  287.054  141.800  288.464  144.833 -1.409302 202.6909 
1 1 1  -33   10    1 o  583.885  170.850   5.6919   3.3224   0.1235   4.2217   14.752   5.3849  419.438  179.785  930.406  191.229 -510.9682 262.4709 
1 1 1  -33   10    3 o  425.517  177.017   0.9181   3.8980  -3.5938   6.3584   3.6349   4.9339  444.149  203.299  542.466  207.730 -98.31708 290.6588 
1 1 1  -33   10    5 o  503.377  169.019   3.9270   3.1444   6.1154   4.0351   0.5435   5.0173  609.155  190.492  464.744  197.513 144.4110 274.4055 
1 1 1  -33   10    7 o  443.641  166.106   2.4932   3.1132   4.1476   4.0775   0.1807   4.8207  535.225  191.736  448.244  192.124 86.98111 271.4302 
1 1 1  -33   10    9 o  877.660  114.051   12.477   3.0602   17.380   4.7682   9.0433   3.9905  1026.49  153.025  729.987  176.519 296.5033 233.6143 
1 1 1  -33   10   11 o  577.448  160.831   5.5807   3.0158   1.0365   4.0831   11.036   4.4736  437.043  181.438  805.717  181.658 -368.6740 256.7475 
1 1 1  -33   10   13 o  1188.90   94.260   22.558   3.4803   20.004   5.1422   24.717   4.7276  1101.80  153.195  1236.67  123.749 -134.8641 196.9327 
1 1 1  -33   10   15 o  842.500  114.544   11.532   2.9434   11.829   4.5130   11.312   3.8830  834.646  178.107  822.255  156.531 12.39050 237.1163 
1 1 1  -33   10   17 o  1296.72   96.086   26.858   3.8737   26.672   5.7432   27.014   5.2468  1275.83  146.412  1289.42  131.805 -13.58130 197.0002 
1 1 1  -33   10   19 o  818.261  121.378   10.960   3.0156   6.8090   4.5025   14.337   4.0611  637.618  201.491  930.863  143.974 -293.2443 247.6429 
1 1 1  -33   10   21 o  1201.02   96.636   23.111   3.6034   24.221   5.3493   22.189   4.8756  1213.58  143.552  1163.65  136.395 49.92493 198.0177 
1 1 1  -33   10   23 o  1621.92  104.028   42.240   5.2553   38.055   9.3703   44.161   6.3476  1486.01  207.001  1650.10  123.754 -164.0920 241.1724 
1 1 1  -33   10   25 f  2000.28  102.222   64.259   6.3811   73.691   11.787   60.349   7.5894  2087.32  182.172  1925.44  126.588 161.8866 221.8358 
1 1 1  -33   10   27 o  855.882  138.055   12.283   3.5739   16.161   6.6929   10.736   4.2271  938.081  229.693  783.918  176.463 154.1628 289.6516 
1 1 1  -33   10   29 o  1364.31   92.834   30.028   3.9423   32.713   5.8918   27.852   5.3047  1401.33  135.986  1294.00  132.804 107.3250 190.0762 
1 1 1  -33   10   31 o  413.826  167.477   1.7395   3.3681   5.0475   4.2250  -4.0282   5.5787  548.502  195.313  388.314  182.044 160.1885 266.9967 
1 1 1  -33   10   33 o  802.226  152.654   11.372   3.6945   9.5596   4.8346   13.916   5.7278  705.151  206.031  845.105  215.720 -139.9546 298.3015 
1 1 1  -33   10   35 o  826.225  184.325   12.944   4.6475   2.8176   6.5750   23.056   6.5702  516.253  222.858  1096.08  198.752 -579.8296 298.6106 
1 1 1  -33   10   37 o  598.284  174.061   6.9224   3.4573   6.5870   4.5747   7.3690   5.2792  574.680  203.385  598.245  217.643 -23.56421 297.8820 
1 1 1  -33   10   39 o  498.928  178.849   4.7926   3.5483   1.5640   4.4495   10.433   5.8810  418.870  182.070  667.525  230.996 -248.6552 294.1235 
1 1 1  -33   10   41 o  583.404  180.680   7.2019   3.6400   6.7951   4.8592   7.7220   5.4947  549.632  207.181  571.362  219.118 -21.73022 301.5572 
1 1 1  -33   10   43 o  1348.22  156.496   36.042   6.4838   41.951   9.4087   30.699   8.9475  1287.03  242.359  1024.11  273.756 262.9111 365.6231 
1 1 1  -33   10   45 o  565.372  185.524   7.7129   3.7941   5.2682   5.0479   10.887   5.7521  468.589  198.582  601.412  225.666 -132.8231 300.5992 
1 1 1  -33   10   47 o  1549.78  121.337   46.192   5.8412   44.441   7.2018   49.559   9.9858  1414.07  165.796  1243.38  264.610 170.6844 312.2608 
1 1 1  -33   10   49 o  463.240  181.989   6.3389   3.8607   6.4450   4.8023   6.1451   6.4916  445.352  191.344  423.617  197.878 21.73541 275.2604 
1 1 1  -33   11    2 o  583.912  191.776   5.4852   4.0538   5.4852   4.0538   0.0000   0.0000  583.912  191.776  ?   ?  0.000000 191.7759 
1 1 1  -33   11    4 o  913.644  248.709   14.718   7.3061   14.718   7.3061   0.0000   0.0000  913.644  248.709  ?   ?  0.000000 248.7088 
1 1 1  -33   11    6 o  363.049  163.174  -1.6102   3.8741  -1.6102   3.8741   0.0000   0.0000  363.049  163.174  ?   ?  0.000000 163.1743 
1 1 1  -33   11    8 o  782.797  135.212   10.099   3.1944   10.099   4.1242   10.098   5.0503  772.482  174.610  767.043  205.936 5.438232 269.9970 
1 1 1  -33   11   10 o  982.810  125.184   15.689   3.7650   11.682   4.9491   21.195   5.8007  826.443  194.486  1129.91  169.157 -303.4637 257.7575 
1 1 1  -33   11   12 o  761.590  148.799   9.6674   3.4212   8.2439   4.6511   11.346   5.0502  696.464  201.677  812.765  199.837 -116.3001 283.9159 
1 1 1  -33   11   14 o  735.315  149.997   9.0416   3.3366   6.3311   4.3976   12.719   5.1222  621.073  199.436  861.765  194.444 -240.6924 278.5376 
1 1 1  -33   11   16 o  1028.75  128.922   17.241   4.0617   14.189   5.4497   21.056   6.0920  909.241  197.102  1119.86  179.817 -210.6240 266.8020 
1 1 1  -33   11   18 o  1221.79  116.571   24.097   4.4056   24.111   5.7806   24.077   6.8049  1207.99  156.503  1193.67  188.307 14.32202 244.8522 
1 1 1  -33   11   20 o  707.785  204.171   8.6520   4.7750   12.908   8.0559   6.3468   5.9287  849.439  269.631  641.459  231.051 207.9799 355.0853 
1 1 1  -33   11   22 o  1096.10  160.509   20.095   5.3457   29.254   8.2157   13.371   7.0397  1300.89  208.751  860.446  247.816 440.4392 324.0215 
1 1 1  -33   11   24 o  1127.23  143.757   21.068   4.9586   15.680   7.4906   25.271   6.6156  922.282  252.151  1218.88  178.639 -296.5976 309.0177 
1 1 1  -33   11   26 o  1008.58  149.961   17.116   4.5918   27.507   7.0644   9.5141   6.0423  1263.43  183.971  727.817  233.779 535.6100 297.4861 
1 1 1  -33   11   28 o  299.145  139.438  -2.5866   3.1964  -0.7816   4.2928  -4.8325   4.7884  392.816  174.472  346.871  164.443 45.94470 239.7545 
1 1 1  -33   11   30 o  2052.60  105.340   68.655   6.7476   73.623   8.3473   59.286   11.462  2107.16  127.106  1811.11  205.767 296.0481 241.8596 
1 1 1  -33   11   32 o  1776.30  105.391   51.823   5.8356   53.985   7.3708   48.192   9.5527  1789.21  132.506  1629.91  190.785 159.3030 232.2859 
1 1 1  -33   11   34 o  1134.72  150.342   22.650   5.2103   23.096   7.3398   22.196   7.3974  1077.35  224.844  1048.41  231.521 28.94275 322.7335 
1 1 1  -33   11   36 o  682.996  170.091   8.8159   3.6238   7.0590   4.4589   12.234   6.2195  597.906  201.268  749.080  236.823 -151.1741 310.7956 
1 1 1  -33   11   38 o  1138.45  124.605   22.632   4.3693   23.956   5.5889   20.549   7.0072  1133.50  162.082  964.659  234.308 168.8414 284.9047 
1 1 1  -33   11   40 o  1478.73  119.534   38.371   5.4874   33.132   6.8429   47.808   9.1849  1303.12  171.899  1521.41  197.458 -218.2863 261.7993 
1 1 1  -33   11   42 o  1807.27  110.709   57.306   6.2348   62.597   7.7887   47.866   10.403  1839.54  136.186  1391.42  247.860 448.1165 282.8094 
1 1 1  -33   11   44 o  879.669  200.214   17.893   5.3909   13.693   7.9215   21.515   7.3575  628.996  256.009  858.086  255.098 -229.0901 361.4073 
1 1 1  -33   11   46 o  702.008  190.336   11.975   4.2891   11.644   5.4417   12.518   6.9692  623.372  221.693  588.746  239.933 34.62610 326.6740 
1 1 1  -33   11   48 o  1426.09  110.763   38.390   4.9073   45.617   6.8542   30.789   7.0290  1448.43  153.464  1044.90  221.698 403.5326 269.6316 
1 1 1  -33   12    1 o  291.532  140.369  -5.4800   3.7909  -5.4800   3.7909   0.0000   0.0000  291.532  140.369  ?   ?  0.000000 140.3686 
1 1 1  -33   12    3 o  350.356  159.983  -2.3016   3.9067  -2.3016   3.9067   0.0000   0.0000  350.356  159.983  ?   ?  0.000000 159.9828 
1 1 1  -33   12    5 f  690.074  191.847   8.0987   4.2953   3.3558   7.1083   10.827   5.3908  599.010  242.994  791.943  212.827 -192.9325 323.0192 
1 1 1  -33   12    7 o  908.807  130.064   13.489   3.5957   17.044   4.8270   9.0577   5.3894  1015.11  156.924  729.298  218.675 285.8096 269.1546 
1 1 1  -33   12    9 o  650.494  159.081   7.1253   3.2133   3.3419   4.3172   11.825   4.8115  514.836  194.990  832.958  188.833 -318.1223 271.4392 
1 1 1  -33   12   11 o  618.477  171.437   6.4362   3.4353   4.2162   4.5034   9.5258   5.3127  548.598  200.797  745.471  215.451 -196.8734 294.5145 
1 1 1  -33   12   13 o  396.352  158.236   1.3964   2.9626   3.0619   3.7220  -1.4831   4.8939  485.687  181.667  415.973  185.428 69.71445 259.5894 
1 1 1  -33   12   15 o  530.014  177.244   4.4167   3.4577   11.212   4.6797  -3.7537   5.1313  809.496  188.193  386.979  179.103 422.5162 259.7969 
1 1 1  -33   12   17 f  1591.48  138.582   41.169   6.8370   31.927   10.536   47.893   8.9861  1339.07  260.649  1701.72  170.954 -362.6481 311.7101 
1 1 1  -33   12   19 o  559.272  201.224   4.6407   4.4956   0.6387   7.7413   6.6772   5.5223  559.590  241.691  645.387  223.812 -85.79724 329.4030 
1 1 1  -33   12   21 o  1351.80  144.665   30.050   6.0284   30.176   9.5004   29.965   7.7998  1302.36  241.871  1325.82  193.587 -23.45984 309.8021 
1 1 1  -33   12   23 o  955.098  141.972   15.178   4.1167   12.915   5.2484   18.795   6.6369  857.174  199.314  1031.67  212.522 -174.5002 291.3615 
1 1 1  -33   12   25 o  1728.16  104.901   48.183   5.6497   51.275   7.1656   43.102   9.1848  1769.00  130.279  1582.99  189.038 186.0112 229.5829 
1 1 1  -33   12   27 o  1208.73  117.474   23.965   4.3900   27.132   5.6687   19.220   6.9390  1272.34  144.870  1023.30  222.872 249.0427 265.8180 
1 1 1  -33   12   29 o  999.563  133.554   16.803   4.0755   18.126   5.4594   15.138   6.1252  1012.97  178.650  898.492  219.576 114.4835 283.0715 
1 1 1  -33   12   31 o  319.116  144.907  -1.3261   3.1489  -3.1508   4.2651   0.8602   4.6686  342.336  160.070  437.358  188.297 -95.02127 247.1400 
1 1 1  -33   12   33 o  1369.12  142.670   32.324   6.0265   29.134   9.0754   34.840   8.0602  1192.47  250.993  1372.83  192.821 -180.3531 316.5082 
1 1 1  -33   12   35 o  422.019  173.490   1.9833   3.6837   2.5077   4.7548   1.1960   5.8258  467.081  195.008  467.293  205.594 -0.2114563 283.3676 
1 1 1  -33   12   37 o  290.680  138.113  -3.1820   3.4145  -2.5202   4.3312  -4.2685   5.5501  344.264  161.077  367.077  174.888 -22.81299 237.7637 
1 1 1  -33   12   39 o  645.825  179.771   8.3847   3.7691   12.280   4.9092   2.7913   5.8823  763.498  202.158  478.165  208.571 285.3334 290.4648 
1 1 1  -33   12   41 o  706.971  179.974   10.329   3.9944   13.369   5.2878   6.2904   6.0959  768.052  212.627  538.284  222.434 229.7671 307.7123 
1 1 1  -33   12   43 o  429.056  170.957   3.3595   3.4518   5.2918   4.6902   1.0763   5.0984  494.115  198.451  406.020  184.376 88.09467 270.8824 
1 1 1  -33   12   45 o  477.768  187.995   5.2833   4.1259   2.7433   7.1551   6.5486   5.0501  443.587  207.385  506.433  205.033 -62.84570 291.6284 
1 1 1  -33   12   47 o  1579.90  125.689   48.213   6.1665   45.957   7.3263   53.697   11.420  1451.63  164.059  1194.96  304.377 256.6675 345.7756 
1 1 1  -33   13    2 o  476.160  179.021   2.9248   3.6234   6.0772   4.3224  -4.5272   6.6457  608.647  197.937  440.454  203.844 168.1930 284.1328 
1 1 1  -33   13    4 o  207.437  102.759  -5.7658   2.5036  -5.1946   3.9565  -6.1473   3.2333  304.920  145.927  250.010  122.458 54.91008 190.5010 
1 1 1  -33   13    6 o  1066.12  125.501   18.451   4.1094   21.051   8.0880   17.546   4.7710  1093.64  242.539  1030.73  152.423 62.91541 286.4575 
1 1 1  -33   13    8 o  346.507  147.930   0.0743   2.8376  -2.0860   4.0313   2.1956   3.9948  361.385  164.046  466.811  184.570 -105.4259 246.9355 
1 1 1  -33   13   10 o  309.402  140.845  -1.7264   2.9984  -1.5182   4.0616  -1.9757   4.4452  374.526  167.793  384.861  173.712 -10.33566 241.5168 
1 1 1  -33   13   12 o  394.712  170.879  -0.2288   3.8879  -0.2288   3.8879   0.0000   0.0000  394.712  170.879  ?   ?  0.000000 170.8790 
1 1 1  -33   13   14 o  628.464  188.292   6.6369   3.9970   9.7975   6.9483   5.0738   4.8864  760.282  251.142  584.528  209.842 175.7535 327.2702 
1 1 1  -33   13   16 o  1233.12  136.877   24.814   5.1959   22.662   7.8094   26.524   6.9600  1139.44  226.854  1256.71  182.184 -117.2697 290.9532 
1 1 1  -33   13   18 o  475.098  185.438   2.5424   3.9874   5.4002   5.9852   0.2617   5.3467  615.523  230.344  468.491  201.606 147.0327 306.1100 
1 1 1  -33   13   20 o  701.762  205.579   8.5511   4.8079   16.785   8.0560   3.9960   5.9920  956.522  261.485  575.775  226.556 380.7471 345.9799 
1 1 1  -33   13   22 o  472.931  180.520   2.8477   3.7185   5.8130   5.0023  -0.8145   5.5592  603.401  212.770  451.706  199.686 151.6952 291.7977 
1 1 1  -33   13   24 o  675.404  209.523   8.0201   4.8926   8.0201   4.8926   0.0000   0.0000  675.404  209.523  ?   ?  0.000000 209.5227 
1 1 1  -33   13   26 o  777.924  166.107   10.520   3.9231   3.0524   4.9666   22.910   6.3973  512.307  204.760  1146.42  184.468 -634.1089 275.5994 
1 1 1  -33   13   28 o  1358.51  114.674   30.290   4.8325   25.211   6.1622   38.402   7.7880  1207.82  167.440  1492.24  169.693 -284.4163 238.3945 
1 1 1  -33   13   30 o  358.040  154.853   0.1362   3.1866   1.5013   4.1760  -1.7668   4.9306  436.918  182.613  396.623  180.573 40.29501 256.8153 
1 1 1  -33   13   32 o  1687.81  108.928   47.016   5.7260   46.091   7.2272   48.575   9.3846  1642.21  141.944  1638.69  186.202 3.526001 234.1349 
1 1 1  -33   13   34 f  601.340  180.656   6.7645   3.6757   9.5029   4.8436   3.0463   5.6441  695.677  207.016  505.748  211.912 189.9286 296.2473 
1 1 1  -33   13   36 o  1084.55  113.325   19.927   3.7916   27.456   5.5162   13.184   5.2204  1247.32  143.874  811.092  205.350 436.2272 250.7358 
1 1 1  -33   13   38 o  1212.93  116.642   25.279   4.3754   24.282   6.2059   26.264   6.1698  1121.18  183.094  1179.00  172.202 -57.82776 251.3498 
1 1 1  -33   13   40 o  758.056  151.953   10.821   3.4813   13.959   4.7931   7.3176   5.0645  826.055  189.355  579.385  212.807 246.6696 284.8545 
1 1 1  -33   13   42 o  1480.06  104.171   37.808   4.7970   28.245   6.6461   48.207   6.9307  1166.03  188.456  1616.92  138.219 -450.8853 233.7094 
1 1 1  -33   13   44 o  1169.33  124.115   25.099   4.4749   24.073   6.2399   26.185   6.4210  1035.66  199.656  1087.39  195.782 -51.73523 279.6306 
1 1 1  -33   13   46 o  1196.66  151.357   29.140   5.5446   28.229   6.3949   31.899   11.128  1107.82  191.264  801.983  310.684 305.8376 364.8379 
1 1 1  -33   14    1 o  767.003  141.926   9.8160   3.2831   7.1442   4.9891   11.857   4.3601  653.375  212.663  834.555  172.549 -181.1802 273.8592 
1 1 1  -33   14    3 o  700.195  151.732   8.2590   3.2306   1.7191   4.8123   13.625   4.3588  482.698  198.348  901.509  160.287 -418.8103 255.0173 
1 1 1  -33   14    5 o  349.247  149.051   0.1051   2.8791   1.8223   4.3460  -1.2379   3.8434  468.195  189.976  368.302  164.240 99.89349 251.1292 
1 1 1  -33   14    7 o  323.785  144.218  -0.9892   2.9540   5.9651   6.5425  -2.7699   3.3107  645.644  240.984  306.772  142.631 338.8712 280.0302 
1 1 1  -33   14    9 o  693.119  143.091   8.0296   3.0026   9.0931   4.4160   7.1151   4.0949  727.987  191.247  648.288  189.670 79.69806 269.3514 
1 1 1  -33   14   11 o  460.792  155.413   3.2663   2.6586   2.4888   3.9872   3.8887   3.5674  474.786  185.400  510.795  179.729 -36.00894 258.2165 
1 1 1  -33   14   13 o  689.877  200.423   8.1436   4.5867   10.553   7.0536   6.3787   6.0375  781.522  252.751  646.520  233.123 135.0015 343.8450 
1 1 1  -33   14   15 o  381.936  155.746   1.0439   2.9387   8.7852   5.8647  -1.5517   3.3958  717.669  230.297  336.375  151.828 381.2942 275.8412 
1 1 1  -33   14   17 o  577.674  172.362   5.6057   3.3544   3.7359   7.0253   6.1578   3.8177  598.629  242.014  604.837  184.655 -6.208618 304.4146 
1 1 1  -33   14   19 o  1062.98  112.149   18.313   3.6765   20.914   5.5437   16.271   4.9121  1116.96  163.332  981.900  165.660 135.0571 232.6383 
1 1 1  -33   14   21 o  343.555  145.792   0.2701   2.7267  -1.7548   4.3222   1.6088   3.5142  379.078  171.179  424.467  171.322 -45.38959 242.1842 
1 1 1  -33   14   23 o  342.491  146.511   0.1401   2.7936   1.6142   4.3906  -0.8625   3.6211  457.841  188.950  361.259  160.359 96.58298 247.8248 
1 1 1  -33   14   25 o  1333.03  121.338   29.132   5.0093   29.846   6.3071   27.912   8.2440  1331.58  154.117  1244.88  219.514 86.69385 268.2136 
1 1 1  -33   14   27 o  557.656  172.256   5.3798   3.3110   5.9447   5.2316   5.0024   4.2764  599.150  216.859  553.632  196.566 45.51819 292.6873 
1 1 1  -33   14   29 o  799.398  139.788   10.929   3.3716   6.8959   5.2591   13.743   4.3933  623.795  218.296  885.515  164.500 -261.7206 273.3375 
1 1 1  -33   14   31 o  824.152  140.751   11.707   3.5018   6.2394   5.6336   15.150   4.4704  600.422  223.715  928.802  159.455 -328.3804 274.7257 
1 1 1  -33   14   33 o  419.037  161.049   2.4342   2.9723  -3.7588   4.5344   7.1000   3.9358  342.600  161.699  617.106  187.289 -274.5060 247.4344 
1 1 1  -33   14   35 o  404.294  159.587   2.1212   2.9820  -0.9959   4.6332   4.3254   3.8961  388.583  176.189  503.941  186.385 -115.3583 256.4801 
1 1 1  -33   14   37 o  620.258  170.971   7.3324   3.4274   3.3669   4.8504   11.287   4.8439  484.949  199.186  747.475  202.107 -262.5265 283.7645 
1 1 1  -33   14   39 o  285.044  135.852  -3.2152   3.3552  -2.8024   3.8630  -4.4829   6.7693  316.311  149.278  398.695  190.824 -82.38474 242.2765 
1 1 1  -33   14   41 o  446.451  168.416   3.5734   3.2125   5.6170   4.2651   0.8940   4.8837  524.021  194.773  412.560  184.473 111.4610 268.2661 
1 1 1  -33   14   43 o  664.419  193.194   9.8208   4.2601   11.548   4.9899   5.1772   8.1819  700.213  210.518  513.962  233.460 186.2512 314.3589 
1 1 1  -33   14   45 o  859.117  177.510   15.895   4.6172   16.705   5.4734   13.895   8.5979  830.256  210.304  615.362  259.885 214.8934 334.3170 
1 1 1  -33   15    2 o  566.090  163.861   5.3899   3.0709   3.1838   4.3841   7.5149   4.3028  508.145  195.520  662.486  194.598 -154.3409 275.8559 
1 1 1  -33   15    4 o  463.480  160.054   3.2473   2.8227   2.1245   4.0775   4.2805   3.9115  465.716  185.730  532.907  188.122 -67.19122 264.3587 
1 1 1  -33   15    6 o  788.638  131.916   10.271   3.1425   12.516   4.6224   8.3414   4.2850  857.214  178.033  696.882  190.789 160.3320 260.9525 
1 1 1  -33   15    8 o  699.976  152.030   8.2521   3.2368   6.3164   4.6649   10.049   4.4949  621.713  205.797  764.163  188.922 -142.4502 279.3634 
1 1 1  -33   15   10 o  1082.53  134.077   19.161   4.4475   25.872   8.4099   16.556   5.2403  1217.36  229.031  990.361  175.404 226.9972 288.4816 
1 1 1  -33   15   12 o  716.890  162.827   8.7193   3.5718   19.703   7.6082   5.6141   4.0453  1054.85  236.217  586.502  191.524 468.3455 304.1054 
1 1 1  -33   15   14 f  828.574  197.608   11.909   5.0549   8.6216   7.7808   14.309   6.6493  731.845  264.532  896.774  234.237 -164.9285 353.3326 
1 1 1  -33   15   16 o  1160.79  106.206   21.708   3.8175   23.189   5.7123   20.512   5.1318  1180.61  158.525  1112.24  151.275 68.36829 219.1215 
1 1 1  -33   15   18 o  427.624  161.200   2.3324   2.9418  -0.3964   4.3958   4.5458   3.9590  411.992  179.988  541.568  189.407 -129.5760 261.2864 
1 1 1  -33   15   20 o  1070.26  112.980   18.612   3.7290   18.548   5.7097   18.660   4.9243  1039.83  181.990  1056.01  153.410 -16.18542 238.0229 
1 1 1  -33   15   22 o  932.427  119.772   14.276   3.4161   11.996   4.8823   16.463   4.7814  825.396  192.451  985.571  160.455 -160.1756 250.5658 
1 1 1  -33   15   24 o  1404.83  115.080   32.154   5.0178   28.167   6.3732   38.657   8.1388  1290.36  161.255  1503.96  176.162 -213.6025 238.8230 
1 1 1  -33   15   26 o  1241.50  108.917   25.131   4.1913   28.570   6.4261   22.586   5.5292  1294.69  162.063  1152.11  157.385 142.5848 225.9080 
1 1 1  -33   15   28 o  772.223  152.184   10.317   3.5490   11.645   5.4944   9.3664   4.6489  790.035  215.936  715.781  199.801 74.25470 294.1918 
1 1 1  -33   15   30 o  229.308  112.268  -4.9061   2.7086  -5.8305   4.4064  -4.3447   3.4340  312.236  150.581  281.336  134.985 30.90085 202.2265 
1 1 1  -33   15   32 f  1081.36  112.027   19.430   3.7382   19.825   5.2992   19.039   5.2742  1058.57  165.273  1034.67  168.600 23.90039 236.0954 
1 1 1  -33   15   34 f  1049.14  114.623   18.475   3.7042   17.646   5.2043   19.327   5.2736  983.396  175.447  1035.61  168.413 -52.21844 243.1964 
1 1 1  -33   15   36 o  984.969  122.458   16.606   3.6953   22.359   5.2417   10.921   5.2103  1119.26  153.617  733.431  213.769 385.8241 263.2397 
1 1 1  -33   15   38 o  368.904  157.581   0.8873   3.2233   1.8682   4.3780  -0.2737   4.7630  433.786  184.432  399.995  180.245 33.79108 257.8831 
1 1 1  -33   15   40 o  1004.73  148.347   18.522   4.5267   16.634   5.3009   23.605   8.6994  907.190  192.566  962.338  274.978 -55.14832 335.7002 
1 1 1  -33   15   42 o  1165.37  142.833   25.135   5.1029   22.669   6.0530   31.192   9.4879  1045.94  191.889  1078.93  278.829 -32.98584 338.4772 
1 1 1  -33   16    1 o  448.242  163.100   2.8072   2.9649   2.3825   4.4626   3.1427   3.9671  486.341  194.194  493.211  186.888 -6.870209 269.5148 
1 1 1  -33   16    3 o  696.376  151.965   8.1900   3.2205   9.9031   5.0612   7.0245   4.1747  753.654  207.771  642.530  192.417 111.1234 283.1838 
1 1 1  -33   16    5 o  430.544  164.500   2.2255   3.0897  -5.1162   4.8128   7.3723   4.0297  350.009  165.619  656.716  186.977 -306.7080 249.7796 
1 1 1  -33   16    7 o  474.888  178.157   2.9433   3.5847   5.9310   7.7268   2.1239   4.0466  666.286  258.670  464.552  185.100 201.7338 318.0761 
1 1 1  -33   16    9 o  509.285  180.191   3.8623   3.5906   4.7195   7.5861   3.6148   4.0760  635.884  253.417  513.605  190.504 122.2788 317.0359 
1 1 1  -33   16   11 o  693.503  187.895   8.2701   4.1816   1.1743   7.9875   10.949   4.9078  576.102  247.126  794.362  198.010 -218.2598 316.6691 
1 1 1  -33   16   13 o  592.957  166.082   5.9531   3.2065   4.0886   4.4127   8.0389   4.6673  538.050  198.485  683.876  203.147 -145.8254 284.0156 
1 1 1  -33   16   15 o  434.281  176.999   1.4867   3.7931   3.4286   4.5891  -2.7003   6.7386  521.308  200.171  468.228  212.371 53.08032 291.8391 
1 1 1  -33   16   17 o  524.747  162.755   4.5582   2.9524  -0.4441   4.3327   8.8941   4.0339  408.064  178.471  717.523  179.883 -309.4585 253.3959 
1 1 1  -33   16   19 o  1111.73  112.506   20.054   3.8625   30.008   5.8299   12.266   5.1567  1350.38  139.906  835.313  199.837 515.0699 243.9432 
1 1 1  -33   16   21 o  575.249  169.378   5.6449   3.2563   9.1472   4.6329   2.2254   4.5779  720.122  198.893  482.190  195.215 237.9326 278.6882 
1 1 1  -33   16   23 o  1042.81  127.669   17.943   4.0817   19.626   5.2256   15.310   6.5369  1076.48  159.886  914.554  228.828 161.9294 279.1518 
1 1 1  -33   16   25 o  392.439  157.993   1.4356   2.9805   5.1311   4.2135  -2.2653   4.2165  560.497  195.436  361.044  165.368 199.4525 256.0114 
1 1 1  -33   16   27 o  437.120  162.121   2.7053   2.9518   9.6232   4.6377  -2.0055   3.8271  728.721  198.063  344.858  157.804 383.8629 253.2412 
1 1 1  -33   16   29 o  1045.31  120.799   18.149   3.8811   17.870   5.6964   18.391   5.3020  998.138  189.186  1024.31  171.362 -26.17029 255.2576 
1 1 1  -33   16   31 o  918.147  136.786   14.371   3.8125   6.5177   6.2260   19.082   4.8223  617.104  234.055  1051.69  150.748 -434.5867 278.4007 
1 1 1  -33   16   33 o  417.899  162.798   2.2863   3.0687   4.3281   4.2119  -0.0239   4.4800  517.198  193.292  407.865  179.835 109.3330 264.0121 
1 1 1  -33   16   35 o  432.267  168.068   2.6095   3.2657  -2.6609   4.4906   8.5258   4.7578  355.734  165.634  661.025  206.871 -305.2908 265.0100 
1 1 1  -33   16   37 o  1301.92  132.796   29.360   5.3378   28.905   6.4475   30.351   9.5166  1257.30  167.971  1169.08  265.963 88.21399 314.5638 
1 1 1  -33   16   39 o  625.282  190.461   7.8447   4.0649   3.9160   4.6760   19.996   8.2237  491.737  197.921  905.968  269.780 -414.2318 334.5949 
1 1 1  -33   16   41 o  658.822  191.350   9.0477   4.1813   4.4746   4.8067   23.273   8.4774  497.756  200.553  952.378  271.210 -454.6222 337.3074 
1 1 1  -33   17    2 o  433.158  159.056   2.5484   2.8290  -0.6143   4.7798   4.2536   3.5097  425.841  186.818  522.213  178.552 -96.37201 258.4212 
1 1 1  -33   17    4 o  290.856  136.594  -3.1131   3.1644 -13.8891   7.7973  -0.9884   3.4623  386.983  189.679  352.703  156.671 34.27988 246.0161 
1 1 1  -33   17    6 o  1125.71  138.731   20.783   4.7866   12.802   8.6034   24.361   5.7605  848.510  279.417  1213.48  155.156 -364.9720 319.6049 
1 1 1  -33   17    8 o  319.538  149.979  -3.6468   3.8057  -4.4144   7.6884  -3.3977   4.3798  480.524  221.272  354.502  164.564 126.0227 275.7588 
1 1 1  -33   17   10 o  772.047  151.603   10.011   3.5342   10.933   4.8155   8.9338   5.2031  794.547  195.007  718.890  214.705 75.65607 290.0447 
1 1 1  -33   17   12 f  650.724  165.895   7.2155   3.3905   8.6558   4.5945   5.4935   5.0239  707.640  199.017  598.055  212.978 109.5854 291.4914 
1 1 1  -33   17   14 o  1110.10  118.448   20.002   4.0537   17.256   5.7181   22.776   5.7476  1003.46  188.917  1168.81  161.346 -165.3552 248.4391 
1 1 1  -33   17   16 o  533.626  193.555   4.1762   4.1708   6.4366   4.9622  -1.2640   7.6982  626.588  212.318  523.570  233.038 103.0182 315.2550 
1 1 1  -33   17   18 o  579.640  168.986   5.7003   3.2556   5.3420   4.7181   6.0260   4.4980  584.125  206.566  604.535  202.156 -20.41010 289.0267 
1 1 1  -33   17   20 o  490.582  163.565   3.8464   2.9448   3.0802   4.2637   4.5453   4.0721  497.764  192.454  542.110  191.883 -44.34616 271.7681 
1 1 1  -33   17   22 o  768.802  147.191   10.005   3.4143   14.417   4.8089   5.5193   4.8484  914.999  174.209  588.633  209.267 326.3663 272.2889 
1 1 1  -33   17   24 o  618.709  164.533   6.6344   3.2428   10.714   4.5329   2.3584   4.6410  778.522  188.059  485.416  196.543 293.1060 272.0209 
1 1 1  -33   17   26 o  837.985  137.237   11.826   3.4763   12.410   4.8604   11.214   4.9741  834.729  190.196  788.223  200.932 46.50592 276.6736 
1 1 1  -33   17   28 o  937.577  127.334   14.676   3.6415   20.653   5.1076   8.4969   5.1933  1101.44  152.157  682.704  216.466 418.7325 264.5923 
1 1 1  -33   17   30 o  714.167  207.734   9.4768   4.9247   0.0000   0.0000   9.4768   4.9247  ?   ?   714.167  207.734 0.000000 207.7335 
1 1 1  -33   17   32 o  469.695  167.522   3.5318   3.1094   2.4190   4.5751   4.4871   4.2388  472.875  193.749  526.823  194.496 -53.94867 274.5310 
1 1 1  -33   17   34 o  720.632  198.842   9.8830   4.6332   3.0675   5.4759   27.056   8.6922  508.271  210.489  1156.59  247.492 -648.3195 324.8967 
1 1 1  -33   17   36 o  560.904  192.910   5.8053   4.0985   6.5661   4.6709   3.2597   8.5445  589.669  205.762  564.413  248.634 25.25635 322.7337 
1 1 1  -33   17   38 o  378.139  170.038  -0.4970   4.2128  -0.4970   4.2128   0.0000   0.0000  378.139  170.038  ?   ?  0.000000 170.0377 
1 1 1  -33   17   40 o  475.264  191.245   3.6107   4.3648   6.0930   5.0328  -3.9222   8.7673  554.319  210.390  455.142  217.662 99.17618 302.7221 
1 1 1  -33   18    1 o  491.962  185.871   3.1362   3.9168   6.2906   8.7508   2.3460   4.3800  693.183  273.458  482.993  192.536 210.1902 334.4389 
1 1 1  -33   18    3 o  358.557  159.765  -1.1335   3.6289  -8.5577   8.4442   0.5482   4.0189  459.116  217.866  419.050  177.366 40.06677 280.9348 
1 1 1  -33   18    5 o  519.581  183.056   4.0562   3.7019   3.5963   7.5896   4.1998   4.2405  612.139  250.031  538.242  195.175 73.89679 317.1886 
1 1 1  -33   18    7 o  662.510  172.001   7.4842   3.5995   9.7726   5.4410   5.7031   4.8001  749.762  218.426  601.879  208.669 147.8832 302.0805 
1 1 1  -33   18    9 o  412.779  177.089   0.1401   4.1026   2.7898   8.1666  -0.7543   4.7447  611.372  255.435  421.987  185.604 189.3857 315.7470 
1 1 1  -33   18   11 o  859.599  143.630   12.273   3.7295   17.135   5.1231   6.7903   5.4398  1009.97  167.893  647.609  222.274 362.3602 278.5568 
1 1 1  -33   18   13 o  666.533  169.628   7.5865   3.5491   16.404   4.9307  -1.8939   5.1126  988.217  165.177  415.733  187.096 572.4836 249.5760 
1 1 1  -33   18   15 o  456.106  168.709   2.8143   3.1923   4.0577   4.3201   1.3185   4.7381  534.054  196.487  468.161  194.994 65.89282 276.8207 
1 1 1  -33   18   17 f  730.701  179.965   9.2166   4.0905   8.8285   4.6338   10.586   8.7057  712.185  199.716  786.131  280.316 -73.94592 344.1858 
1 1 1  -33   18   19 o  271.720  129.590  -3.8073   3.0638  -3.3563   4.2302  -4.3049   4.4434  345.903  160.958  341.776  160.932 4.126709 227.6109 
1 1 1  -33   18   21 f  918.766  136.450   14.019   3.8063   14.594   5.3388   13.424   5.4280  914.272  192.572  871.782  202.685 42.49011 279.5807 
1 1 1  -33   18   23 f  732.848  162.910   9.2490   3.6415   9.0034   5.1048   9.5034   5.1960  711.735  212.692  729.627  213.708 -17.89215 301.5113 
1 1 1  -33   18   25 o  670.318  169.362   7.8354   3.5561   6.6111   4.9916   9.0972   5.0675  623.903  212.938  712.029  211.717 -88.12604 300.2772 
1 1 1  -33   18   27 o  329.654  148.284  -1.1726   3.2069  -2.9087   4.6298   0.4286   4.4462  368.967  170.541  426.820  183.759 -57.85336 250.7024 
1 1 1  -33   18   29 f  486.978  178.125   3.5931   3.5430   7.6416   5.2877   0.2946   4.7729  652.997  219.181  434.570  188.732 218.4274 289.2408 
1 1 1  -33   18   31 o  730.638  190.277   9.7540   4.3962   12.025   5.1545   3.6939   8.4206  804.699  204.222  597.878  255.027 206.8211 326.7193 
1 1 1  -33   18   33 f  475.643  185.959   3.0925   4.0149   2.9738   4.5467   3.5125   8.5549  486.546  195.400  588.570  254.141 -102.0238 320.5757 
1 1 1  -33   18   35 o  379.578  170.836  -0.8990   4.2634   0.2563   4.9255  -4.3504   8.5134  428.615  188.796  472.282  222.497 -43.66675 291.8028 
1 1 1  -33   18   37 o  669.116  205.503   8.8455   4.7201   9.0261   5.5343   8.3636   9.0406  666.803  224.232  652.915  270.430 13.88849 351.3006 
1 1 1  -33   19    2 o  523.216  202.374   3.3045   4.7160   9.2226   9.4858   1.3615   5.4353  770.672  289.674  496.915  208.067 273.7566 356.6552 
1 1 1  -33   19    4 o  373.721  160.194   0.0595   3.3519   6.5731   4.6356  -7.0778   4.8525  630.574  204.979  327.141  157.829 303.4331 258.7016 
1 1 1  -33   19    6 o  669.891  173.920   7.6496   3.6803   2.4454   5.0944   13.330   5.3225  512.042  206.412  878.739  198.161 -366.6971 286.1364 
1 1 1  -33   19    8 o  874.181  147.710   12.703   3.8992   15.909   5.2925   8.8970   5.7664  968.290  181.219  721.478  228.026 246.8124 291.2667 
1 1 1  -33   19   10 o  581.693  208.550   5.0751   4.8249   0.5266   8.7365   7.0712   5.7876  588.371  255.435  662.518  229.161 -74.14703 343.1645 
1 1 1  -33   19   12 o  287.170  134.444  -2.8466   3.0251  -0.4380   3.8878  -6.5425   4.8159  388.378  169.481  331.598  159.301 56.77988 232.5954 
1 1 1  -33   19   14 f  928.018  136.804   14.198   3.8561   17.072   5.1811   10.629   5.7735  1006.68  170.449  778.283  224.505 228.3953 281.8784 
1 1 1  -33   19   16 o  282.328  134.154  -3.7992   3.2226  -8.1663   4.5209   0.7118   4.5948  297.638  145.577  447.502  189.542 -149.8643 238.9957 
1 1 1  -33   19   18 o  1033.70  127.647   17.494   4.0439   16.059   5.6128   19.044   5.8313  964.191  192.649  1056.61  182.873 -92.41913 265.6240 
1 1 1  -33   19   20 o  740.397  160.429   9.3490   3.6119   3.3250   4.7678   17.462   5.5331  521.610  203.001  1009.56  181.714 -487.9468 272.4506 
1 1 1  -33   19   22 o  531.284  182.598   4.4815   3.6718   2.4788   4.5203   8.3655   6.2951  487.905  195.224  698.545  239.128 -210.6403 308.6981 
1 1 1  -33   19   24 o  794.452  151.710   10.720   3.6363   15.432   4.9322   5.1090   5.3823  947.641  172.577  585.394  218.560 362.2466 278.4800 
1 1 1  -33   19   26 o  455.531  186.717   1.7819   4.2512   2.6408   4.8745  -0.9468   8.6883  500.164  201.808  547.666  245.384 -47.50168 317.7105 
1 1 1  -33   19   28 o  448.670  188.740   1.2369   4.5061   7.4115   5.2607 -15.7743   8.7318  649.429  218.617  396.688  195.662 252.7407 293.3887 
1 1 1  -33   19   30 o  596.343  192.423   6.2444   4.0901   5.4740   4.7478   8.4613   8.0539  575.409  206.816  696.488  265.716 -121.0795 336.7160 
1 1 1  -33   19   32 o  609.358  197.404   6.6715   4.3013   6.1830   4.7438   8.9301   10.200  594.431  207.363  714.777  290.665 -120.3466 357.0513 
1 1 1  -33   19   34 o  559.089  202.586   5.3565   4.5674   1.8075   5.0957   19.860   10.301  471.915  199.729  931.579  305.696 -459.6644 365.1602 
1 1 1  -33   20    1 o  616.584  218.205   5.8657   5.2657   0.0000   0.0000   5.8657   5.2657  ?   ?   616.584  218.205 0.000000 218.2054 
1 1 1  -33   20    3 o  884.506  182.365   13.320   4.8830   8.1563   6.7411   19.021   7.0827  709.241  247.205  1044.02  223.408 -334.7798 333.1988 
1 1 1  -33   20    5 o  464.923  178.085   2.5884   3.6268   3.9883   4.7181   0.5666   5.6702  545.307  204.426  489.343  209.016 55.96426 292.3655 
1 1 1  -33   20    7 o  494.657  178.187   3.4988   3.5262   0.7225   4.7507   6.9050   5.2620  456.410  192.991  651.271  218.648 -194.8615 291.6375 
1 1 1  -33   20    9 o  364.122  157.679  -0.2311   3.3122   1.7253   4.3526  -2.9229   5.1054  465.975  189.725  398.728  182.385 67.24707 263.1725 
1 1 1  -33   20   11 o  627.037  207.840   6.4156   4.7573  -1.9183   9.4977   9.2069   5.4966  575.274  257.241  731.365  221.188 -156.0908 339.2598 
1 1 1  -33   20   13 o  640.064  172.526   6.9653   3.5362   2.1232   4.6314   13.734   5.4759  486.943  196.628  891.036  201.043 -404.0934 281.2131 
1 1 1  -33   20   15 o  605.873  187.513   6.1420   3.9213   5.4949   5.1250   7.0557   6.0902  600.851  214.989  665.646  234.764 -64.79523 318.3305 
1 1 1  -33   20   17 o  596.504  234.521   4.3161   6.4158  -3.0113   7.7637   20.098   11.394  501.469  227.643  1026.03  319.975 -524.5623 392.6900 
1 1 1  -33   20   19 o  613.176  196.874   6.2852   4.2855   5.7906   4.7196   8.6094   10.230  601.005  206.993  761.631  297.097 -160.6263 362.0948 
1 1 1  -33   20   21 o  544.291  200.008   4.3033   4.4744   4.3033   4.4744   0.0000   0.0000  544.291  200.008  ?   ?  0.000000 200.0085 
1 1 1  -33   20   23 o  634.398  197.246   6.9088   4.3333   5.4066   4.7219   14.926   10.909  584.577  206.658  889.975  314.162 -305.3983 376.0387 
1 1 1  -33   20   25 o  880.591  184.904   13.529   4.9361   9.7718   5.7055   24.710   9.8426  738.173  225.808  1136.14  278.764 -397.9633 358.7463 
1 1 1  -33   20   27 o  591.030  208.351   5.7136   4.7963   6.5292   5.5819   3.4123   9.3761  628.279  224.414  631.982  269.330 -3.703430 350.5710 
1 1 1  -33   20   29 o  788.070  197.257   11.197   4.8562   12.097   5.5963   8.4516   9.7709  810.781  216.399  722.074  287.654 88.70642 359.9630 
1 1 1  -33   20   31 o  523.269  193.921   4.2042   4.2218   1.6847   4.6174   17.046   10.424  460.873  192.271  896.537  307.698 -435.6637 362.8305 
1 1 1  -33   21    2 o  694.013  189.492   8.2273   4.2337   8.5952   5.9511   7.8503   6.0242  714.994  232.241  692.200  233.940 22.79401 329.6420 
1 1 1  -33   21    4 o  380.018  167.402  -0.8089   3.8732  -5.5170   5.2595   4.7699   5.7252  367.396  173.628  595.531  224.788 -228.1352 284.0363 
1 1 1  -33   21    6 o  531.383  203.817   3.4712   4.7546   4.1171   5.0206  -2.1444   14.804  558.432  210.570  709.326  318.877 -150.8943 382.1284 
1 1 1  -33   21    8 o  848.946  217.295   12.537   5.8006   11.311   6.3627   18.569   14.115  805.752  236.624  1008.46  357.218 -202.7089 428.4811 
1 1 1  -33   21   10 o  542.744  213.621   3.2587   5.3287   4.2161   5.7817  -2.1428   13.733  581.607  224.323  684.731  307.528 -103.1236 380.6500 
1 1 1  -33   21   12 o  799.491  334.693   6.4361   14.060   0.0000   0.0000   6.4361   14.060  ?   ?   799.491  334.693 0.000000 334.6932 
1 1 1  -33   21   14 o  376.263  171.833  -2.5592   4.5085  -1.4185   4.7886 -11.4660   13.380  411.272  183.370  582.921  275.923 -171.6496 331.2981 
1 1 1  -33   21   16 o  570.499  217.862   4.2377   5.4175   3.7405   5.9372   6.7106   13.241  571.303  225.289  784.913  326.368 -213.6096 396.5740 
1 1 1  -33   21   18 o  488.731  192.342   2.6059   4.3196   2.4011   4.6074   4.0936   12.417  492.841  197.133  728.029  310.094 -235.1875 367.4502 
1 1 1  -33   21   20 o  458.234  191.052   1.2184   4.5550   1.2184   4.5550   0.0000   0.0000  458.234  191.052  ?   ?  0.000000 191.0519 
1 1 1  -33   21   22 o  495.505  193.324   2.8876   4.3324  -0.0401   4.7796   16.373   10.258  436.599  189.238  930.957  305.032 -494.3588 358.9646 
1 1 1  -33   21   24 o  687.631  212.631   8.2515   5.0435   9.8616   5.6114   1.4830   11.505  744.863  223.086  659.806  289.638 85.05670 365.5924 
1 1 1  -33   21   26 o  411.904  182.173  -0.7674   4.6320   2.3215   5.1017 -15.2602   11.051  501.422  204.923  475.988  231.668 25.43375 309.2953 
1 1 1  -33   21   28 o  530.522  203.240   3.8686   4.7242   6.5185   5.2203  -8.1179   11.103  623.054  217.520  531.675  251.571 91.37939 332.5700 
1 1 1  -33   22    1 o  633.928  230.076   5.9631   5.8945   3.9547   6.4710   15.753   14.287  594.175  234.915  957.493  356.360 -363.3176 426.8224 
1 1 1  -33   22    3 o  486.296  197.287   1.9552   4.6860   3.1031   4.9637  -7.4529   14.210  527.727  206.644  643.693  297.965 -115.9654 362.6081 
1 1 1  -33   22    5 f  642.526  211.345   6.7233   4.9226   4.0695   5.2469   26.220   14.222  564.137  214.649  1170.62  356.186 -606.4875 415.8637 
1 1 1  -33   22    7 o  534.119  209.610   3.1479   5.1164   3.1479   5.1164   0.0000   0.0000  534.119  209.610  ?   ?  0.000000 209.6099 
1 1 1  -33   22    9 o  570.968  217.851   4.1497   5.4140   4.5799   5.8341   1.4804   14.532  594.099  226.271  747.664  326.926 -153.5648 397.5916 
1 1 1  -33   22   11 o  447.990  190.201   0.5206   4.6444  -1.2355   4.8598   19.025   15.775  419.221  185.945  1026.28  375.790 -607.0625 419.2779 
1 1 1  -33   22   13 o  846.042  345.854   8.9196   14.537   0.0000   0.0000   8.9196   14.537  ?   ?   846.042  345.854 0.000000 345.8544 
1 1 1  -33   22   15 o  492.538  209.195   0.7924   5.6219   0.0001   6.0570   5.7205   15.106  492.635  213.279  806.958  342.827 -314.3232 403.7549 
1 1 1  -33   22   17 o  365.854  171.853  -4.7342   5.0134  -4.4831   5.4132  -6.2481   13.292  388.290  181.147  627.523  289.667 -239.2327 341.6450 
1 1 1  -33   22   19 o  751.651  244.122   9.7316   6.5756   9.7316   6.5756   0.0000   0.0000  751.651  244.122  ?   ?  0.000000 244.1219 
1 1 1  -33   22   21 o  483.414  205.246   0.8793   5.4084   3.6162   5.9925 -11.1432   12.560  567.261  225.495  558.766  265.314 8.494934 348.1951 
1 1 1  -33   22   23 o  773.987  226.141   10.628   5.8245   13.665   6.5549  -0.7663   12.697  871.366  234.900  662.576  296.771 208.7906 378.4857 
1 1 1  -32    0    2 o  312.061  195.473   1.0210   3.9482   1.0210   3.9482   1.0210   3.9482  312.061  195.473  312.061  195.473 -0.000000 0.000000 
1 1 1  -32    0    4 o  405.971  199.207   3.9232   3.0104   3.9232   3.0104   3.9232   3.0104  405.971  199.207  405.971  199.207 -0.000000 0.000000 
1 1 1  -32    0    6 o  2117.32  119.589   71.730   7.8707   71.730   7.8707   71.730   7.8707  2117.32  119.589  2117.32  119.589 -0.000000 0.000000 
1 1 1  -32    0    8 o  279.249  174.251   0.8413   3.1076   0.8413   3.1076   0.8413   3.1076  279.249  174.251  279.249  174.251 -0.000000 0.000000 
1 1 1  -32    0   10 o  1858.36  117.984   55.367   6.8020   55.367   6.8020   55.367   6.8020  1858.36  117.984  1858.36  117.984 -0.000000 0.000000 
1 1 1  -32    0   12 o  234.351  155.548  -0.7348   3.0293  -0.7348   3.0293  -0.7348   3.0293  234.351  155.548  234.351  155.548 -0.000000 0.000000 
1 1 1  -32    0   14 o  466.870  220.382   5.1846   3.6408   5.1846   3.6408   5.1846   3.6408  466.870  220.382  466.870  220.382 -0.000000 0.000000 
1 1 1  -32    0   16 o  2574.20  125.141  105.894   10.033  105.894   10.033  105.894   10.033  2574.20  125.141  2574.20  125.141 -0.000000 0.000000 
1 1 1  -32    0   18 o  2141.65  172.528   75.034   11.397   75.034   11.397   75.034   11.397  2141.65  172.528  2141.65  172.528 -0.000000 0.000000 
1 1 1  -32    0   20 o  236.467  163.453  -3.0896   4.1041  -3.0896   4.1041  -3.0896   4.1041  236.467  163.453  236.467  163.453 -0.000000 0.000000 
1 1 1  -32    0   22 o  1020.79  204.765   18.632   5.8045   18.632   5.8045   18.632   5.8045  1020.79  204.765  1020.79  204.765 -0.000000 0.000000 
1 1 1  -32    0   24 o  1824.50  170.544   54.782   9.5475   54.782   9.5475   54.782   9.5475  1824.50  170.544  1824.50  170.544 -0.000000 0.000000 
1 1 1  -32    0   26 o  1887.20  169.940   58.508   9.8550   58.508   9.8550   58.508   9.8550  1887.20  169.940  1887.20  169.940 -0.000000 0.000000 
1 1 1  -32    0   28 o  761.994  247.417   11.953   5.2217   11.953   5.2217   11.953   5.2217  761.994  247.417  761.994  247.417 -0.000000 0.000000 
1 1 1  -32    0   30 o  525.896  220.246   6.2989   3.6382   6.2989   3.6382   6.2989   3.6382  525.896  220.246  525.896  220.246 -0.000000 0.000000 
1 1 1  -32    0   32 o  702.198  200.624   9.5977   3.8234   9.5977   3.8234   9.5977   3.8234  702.198  200.624  702.198  200.624 -0.000000 0.000000 
1 1 1  -32    0   34 o  262.531  168.624   0.1980   3.1604   0.1980   3.1604   0.1980   3.1604  262.531  168.624  262.531  168.624 -0.000000 0.000000 
1 1 1  -32    0   36 o  906.697  184.557   14.703   4.6362   14.703   4.6362   14.703   4.6362  906.697  184.557  906.697  184.557 -0.000000 0.000000 
1 1 1  -32    0   38 o  574.619  235.183   7.5382   4.1715   7.5382   4.1715   7.5382   4.1715  574.619  235.183  574.619  235.183 -0.000000 0.000000 
1 1 1  -32    0   40 o  1637.82  126.915   43.622   6.4188   43.622   6.4188   43.622   6.4188  1637.82  126.915  1637.82  126.915 -0.000000 0.000000 
1 1 1  -32    0   42 o  895.062  253.151   16.133   6.1445   16.133   6.1445   16.133   6.1445  895.062  253.151  895.062  253.151 -0.000000 0.000000 
1 1 1  -32    0   44 o  423.458  251.531   3.9667   5.8142   3.9667   5.8142   3.9667   5.8142  423.458  251.531  423.458  251.531 -0.000000 0.000000 
1 1 1  -32    0   46 o  1861.61  190.465   59.569   10.836   59.569   10.836   59.569   10.836  1861.61  190.465  1861.61  190.465 -0.000000 0.000000 
1 1 1  -32    0   48 f  198.295  142.603  -6.8832   4.3199  -6.8832   4.3199  -6.8832   4.3199  198.295  142.603  198.295  142.603 -0.000000 0.000000 
1 1 1  -32    0   50 o  1328.32  205.107   31.793   7.9257   31.793   7.9257   31.793   7.9257  1328.32  205.107  1328.32  205.107 -0.000000 0.000000 
1 1 1  -32    0   52 o  425.236  217.034   4.6541   3.6431   4.6541   3.6431   4.6541   3.6431  425.236  217.034  425.236  217.034 -0.000000 0.000000 
1 1 1  -32    0   54 o  787.712  215.928   12.536   4.6050   12.536   4.6050   12.536   4.6050  787.712  215.928  787.712  215.928 -0.000000 0.000000 
1 1 1  -32    1    1 o  382.286  153.168   1.2790   2.7866   5.2056   4.0450  -2.2677   3.8444  570.198  191.701  346.392  158.378 223.8062 248.6620 
1 1 1  -32    1    3 o  503.330  151.500   4.1804   2.5832   2.7969   3.2406   6.5915   4.2781  457.808  169.852  626.774  196.166 -168.9659 259.4823 
1 1 1  -32    1    5 o  915.775  102.328   13.526   2.8841   15.239   4.1877   11.981   3.9779  959.993  143.734  845.095  156.073 114.8984 212.1747 
1 1 1  -32    1    7 o  544.449  141.771   4.9797   2.4407   3.1189   3.5199   6.7031   3.3874  479.085  177.163  627.883  168.693 -148.7979 244.6307 
1 1 1  -32    1    9 o  1037.95   94.106   17.265   3.0253   18.097   4.2130   16.380   4.3468  1051.99  130.717  995.765  143.559 56.22321 194.1553 
1 1 1  -32    1   11 o  473.283  138.628   3.7021   2.1864   0.0658   3.0795   7.3978   3.1046  358.665  153.638  661.149  152.995 -302.4845 216.8231 
1 1 1  -32    1   13 o  781.568  113.253   9.9777   2.6909   12.937   3.8241   7.0755   3.7871  882.350  143.330  643.183  180.613 239.1667 230.5742 
1 1 1  -32    1   15 o  595.765  135.803   5.9684   2.4771   6.0458   3.3798   5.8785   3.6410  596.792  171.661  590.877  180.317 5.914673 248.9611 
1 1 1  -32    1   17 o  532.639  145.631   4.7814   2.4986   5.2129   3.3321   4.2272   3.7766  558.622  172.845  525.532  184.921 33.09052 253.1232 
1 1 1  -32    1   19 o  1751.60  117.801   49.639   6.4235   56.846   9.2715   42.986   8.9076  1849.40  161.731  1594.46  181.659 254.9424 243.2215 
1 1 1  -32    1   21 o  850.986  146.573   12.165   3.7647   9.6908   5.1692   14.960   5.4937  739.166  212.203  924.351  195.894 -185.1846 288.7984 
1 1 1  -32    1   23 o  1955.56  117.988   62.045   7.1909   68.661   10.254   55.643   10.087  2026.13  163.009  1809.94  180.384 216.1877 243.1260 
1 1 1  -32    1   25 o  975.774  135.228   15.844   4.0207   14.179   5.7703   17.416   5.6055  887.674  210.747  999.544  185.942 -111.8692 281.0493 
1 1 1  -32    1   27 o  399.594  161.484   1.4525   3.1265  -2.3122   4.8012   4.2241   4.1196  387.908  177.218  526.779  192.166 -138.8719 261.4073 
1 1 1  -32    1   29 o  2102.17   98.811   71.155   6.5041   75.138   11.452   69.258   7.9023  2092.45  176.435  2054.97  123.380 37.47778 215.2953 
1 1 1  -32    1   31 o  550.004  144.618   5.2275   2.5237   6.0558   3.5920   4.4201   3.5465  587.279  179.074  519.035  179.395 68.24359 253.4763 
1 1 1  -32    1   33 o  1366.25   87.644   30.119   3.7297   31.115   5.2886   29.133   5.2606  1368.36  124.804  1321.31  128.787 47.05103 179.3378 
1 1 1  -32    1   35 o  2592.96  106.868  110.090   8.6768  115.111   10.656  100.211   14.947  2624.41  129.675  2333.07  206.740 291.3367 244.0429 
1 1 1  -32    1   37 o  930.183  106.927   14.450   3.0577   19.446   4.2541   9.1093   4.3981  1065.62  130.200  688.675  195.081 376.9495 234.5390 
1 1 1  -32    1   39 o  1921.40   86.818   60.512   5.2233   68.519   7.3521   52.353   7.4220  2004.80  117.633  1724.75  138.598 280.0507 181.7886 
1 1 1  -32    1   41 o  872.367  141.268   14.026   3.7269   12.918   6.6383   14.536   4.5037  713.019  245.494  856.338  173.897 -143.3191 300.8448 
1 1 1  -32    1   43 f  609.050  191.428   8.5098   4.0691   5.1182   5.5528   12.443   5.9800  488.226  207.646  675.284  232.975 -187.0583 312.0809 
1 1 1  -32    1   45 o  1563.92  139.330   48.246   6.7516   49.494   9.8615   47.145   9.2629  1337.93  244.398  1341.87  228.653 -3.939331 334.6831 
1 1 1  -32    1   47 o  487.387  188.785   6.7412   4.1085   5.5214   6.2477   7.6705   5.4535  436.471  200.423  482.572  205.523 -46.10043 287.0699 
1 1 1  -32    1   49 o  461.204  186.496   6.9849   4.1727   4.5795   6.3411   8.8220   5.5416  392.179  186.871  466.030  202.881 -73.85141 275.8287 
1 1 1  -32    1   51 o  185.203   93.696  -6.6197   2.6968  -7.1002   3.4020  -5.8073   4.4238  210.154  106.219  250.670  126.007 -40.51639 164.8033 
1 1 1  -32    1   53 o  968.416  123.657   21.504   3.6641   15.527   5.4367   26.479   4.9598  508.374  210.067  944.735  174.076 -436.3609 272.8199 
1 1 1  -32    1   55 o  1602.31  103.591   56.814   5.1696   58.368   7.3995   55.332   7.2254  1239.85  197.199  1201.24  199.065 38.61011 280.2041 
1 1 1  -32    2    2 o  386.968  140.466   2.0437   2.1972   1.8807   3.0715   2.2144   3.1445  417.190  162.775  432.375  165.774 -15.18558 232.3287 
1 1 1  -32    2    4 o  449.329  154.147   3.0617   2.6161  -1.1187   3.4403   8.7933   4.0284  348.596  155.426  716.045  179.896 -367.4487 237.7391 
1 1 1  -32    2    6 o  555.210  135.754   5.1720   2.3404   10.077   3.3561   0.5288   3.2654  777.415  143.142  382.254  160.728 395.1612 215.2283 
1 1 1  -32    2    8 o  536.892  138.915   4.8374   2.3532   5.5053   3.3670   4.1996   3.2901  573.887  173.015  515.902  172.894 57.98438 244.5941 
1 1 1  -32    2   10 o  344.112  134.779   1.1968   2.1120   3.3360   2.9019  -1.2123   3.0795  469.377  162.273  325.315  145.901 144.0620 218.2193 
1 1 1  -32    2   12 o  388.346  141.325   2.0530   2.2262   2.5309   3.0600   1.5156   3.2449  440.801  164.751  411.751  165.174 29.04947 233.2927 
1 1 1  -32    2   14 o  858.921  105.359   11.955   2.7742   11.820   3.8167   12.105   4.0394  839.967  150.650  847.735  157.986 -7.767883 218.3004 
1 1 1  -32    2   16 f  940.609  101.226   14.280   2.9344   11.736   3.9803   17.310   4.3432  833.629  158.274  1024.12  139.034 -190.4886 210.6678 
1 1 1  -32    2   18 o  664.518  164.986   7.5681   3.4171   6.5054   5.2240   8.3628   4.5177  631.132  217.750  693.277  198.180 -62.14471 294.4327 
1 1 1  -32    2   20 o  1188.10  178.125   24.007   6.4224   0.0000   0.0000   24.007   6.4224  ?   ?   1188.10  178.125 0.000000 178.1254 
1 1 1  -32    2   22 o  813.066  156.435   11.238   3.8381   17.701   5.2853   4.0262   5.5827  1018.36  171.867  561.198  219.315 457.1627 278.6350 
1 1 1  -32    2   24 o  2405.89  124.889   94.273   9.3761   79.019   13.163  109.982   13.358  2139.83  198.728  2560.30  167.550 -420.4683 259.9341 
1 1 1  -32    2   26 o  1425.09  120.976   33.211   5.3473   40.055   7.8844   27.382   7.2766  1538.18  166.347  1253.98  191.383 284.1998 253.5723 
1 1 1  -32    2   28 o  1452.50   98.062   34.057   4.4339   32.491   7.6791   34.839   5.4306  1368.93  183.789  1458.43  119.982 -89.49719 219.4863 
1 1 1  -32    2   30 o  1517.01   86.814   36.955   4.1067   34.616   5.8305   39.258   5.7852  1445.70  130.194  1546.18  120.443 -100.4747 177.3610 
1 1 1  -32    2   32 o  1727.25   85.367   47.824   4.6171   45.946   6.6352   49.587   6.4287  1664.66  128.283  1736.36  118.958 -71.70337 174.9505 
1 1 1  -32    2   34 o  703.317  156.013   8.7147   3.3459   10.935   4.1735   4.7198   5.5977  779.900  175.180  560.932  219.500 218.9679 280.8349 
1 1 1  -32    2   36 o  2267.56  103.059   84.259   7.3175   79.846   12.637   86.485   8.9752  2084.63  195.900  2268.67  126.853 -184.0369 233.3846 
1 1 1  -32    2   38 o  1235.57   95.268   25.219   3.6573   21.021   5.1602   29.457   5.1844  1081.07  157.031  1309.27  128.102 -228.2006 202.6546 
1 1 1  -32    2   40 o  688.564  155.529   8.9492   3.2741   8.2675   6.2628   9.2056   3.8408  607.848  233.736  680.455  178.164 -72.60675 293.8959 
1 1 1  -32    2   42 o  1205.06  112.320   25.547   4.1894   25.984   7.7069   25.364   4.9912  1025.71  243.584  1167.76  139.248 -142.0481 280.5763 
1 1 1  -32    2   44 o  634.595  198.002   9.8481   4.3623   8.7348   6.3213   10.860   6.0275  547.217  226.348  605.638  230.154 -58.42126 322.8067 
1 1 1  -32    2   46 o  303.498  143.198  -1.1192   3.5510   0.9873   5.3065  -2.8273   4.7786  377.491  177.155  317.610  154.064 59.88162 234.7756 
1 1 1  -32    2   48 o  548.612  192.098   8.9628   4.0729   4.7636   6.4309   11.775   5.2629  410.285  193.317  573.456  215.723 -163.1708 289.6686 
1 1 1  -32    2   50 o  664.791  173.923   11.956   3.6620   15.594   4.9947   7.7271   5.3852  662.955  212.507  429.727  192.819 233.2273 286.9466 
1 1 1  -32    2   52 o  841.711  158.437   18.552   4.0225   16.459   5.1940   21.689   6.3585  598.673  216.172  616.025  235.840 -17.35187 319.9227 
1 1 1  -32    2   54 o  906.043  159.206   23.585   4.3519   17.834   5.3596   34.714   7.4560  532.641  212.771  659.438  254.629 -126.7973 331.8241 
1 1 1  -32    3    1 o  351.985  138.956   1.1894   2.2611   2.0098   3.2546   0.4240   3.1435  429.510  167.565  372.832  157.282 56.67740 229.8167 
1 1 1  -32    3    3 o  381.119  137.594   1.9999   2.1041   3.4557   2.8829   0.3404   3.0781  474.478  161.828  366.929  155.260 107.5486 224.2626 
1 1 1  -32    3    5 o  220.222  104.935  -2.5427   1.9995  -1.1926   2.7555  -4.0443   2.9059  305.812  137.516  258.516  124.073 47.29581 185.2156 
1 1 1  -32    3    7 o  1311.29   87.822   27.397   3.5851   31.152   5.1951   23.982   4.9537  1388.36  120.703  1212.81  132.604 175.5503 179.3121 
1 1 1  -32    3    9 o  786.415  112.759   10.084   2.6972   13.493   3.8467   6.7868   3.7829  903.331  140.568  631.900  181.566 271.4318 229.6202 
1 1 1  -32    3   11 o  671.217  124.480   7.4615   2.5199   6.3548   3.5387   8.6001   3.5893  612.200  175.521  710.991  164.490 -98.79102 240.5503 
1 1 1  -32    3   13 o  1110.64   92.640   19.744   3.1923   20.239   4.5544   19.267   4.4759  1111.84  133.488  1084.00  134.775 27.83960 189.6921 
1 1 1  -32    3   15 o  770.382  130.855   9.8314   3.0436   12.230   5.4850   8.7644   3.6586  834.182  210.103  716.410  166.294 117.7720 267.9494 
1 1 1  -32    3   17 o  369.064  154.568   0.5841   3.0005   1.4125   4.1071  -0.3641   4.3940  444.581  183.028  412.770  180.149 31.81088 256.8129 
1 1 1  -32    3   19 o  340.737  150.565  -0.7245   3.1572  -4.7379   4.7695   2.4058   4.2122  351.707  165.949  476.479  189.167 -124.7719 251.6406 
1 1 1  -32    3   21 o  1193.28  126.946   23.308   4.6705   24.762   7.0525   22.172   6.2331  1197.29  194.816  1139.01  180.809 58.28650 265.7916 
1 1 1  -32    3   23 o  1568.97  122.785   40.105   5.9841   39.724   8.5503   40.470   8.3779  1526.68  182.477  1545.16  176.315 -18.48303 253.7423 
1 1 1  -32    3   25 o  741.243  171.942   9.5558   3.9135   7.3703   5.7298   11.467   5.3578  658.184  227.995  798.200  211.121 -140.0154 310.7305 
1 1 1  -32    3   27 o  1757.17   99.282   49.750   5.4403   53.243   9.2530   47.904   6.7255  1772.13  168.791  1709.17  126.568 62.96008 210.9735 
1 1 1  -32    3   29 o  1234.60  108.142   24.827   4.1385   26.617   7.4665   24.033   4.9721  1224.02  201.847  1202.12  134.391 21.89673 242.4937 
1 1 1  -32    3   31 o  1077.18   97.811   18.841   3.2631   20.150   4.6528   17.574   4.5776  1095.29  138.779  1017.22  148.059 78.06335 202.9311 
1 1 1  -32    3   33 o  714.839  160.415   8.9958   3.5024   8.9895   4.2187   9.0098   6.2828  703.161  187.983  694.468  238.847 8.692322 303.9496 
1 1 1  -32    3   35 o  923.598  109.786   14.166   3.1128   15.954   4.4874   12.508   4.3217  955.430  155.331  834.644  171.109 120.7853 231.0974 
1 1 1  -32    3   37 o  1136.40  116.267   21.735   4.0789   14.589   8.1157   24.150   4.7181  805.260  271.534  1189.29  128.753 -384.0292 300.5125 
1 1 1  -32    3   39 o  580.632  156.270   6.3118   2.9038   4.4230   5.4855   7.0471   3.4227  518.495  212.263  604.609  172.383 -86.11365 273.4438 
1 1 1  -32    3   41 o  1359.69  106.906   31.814   4.5148   29.827   8.1748   32.686   5.4157  1137.15  237.259  1350.43  129.670 -213.2808 270.3812 
1 1 1  -32    3   43 o  1062.59  120.626   20.534   3.9424   24.772   6.7511   18.341   4.8565  1024.64  217.166  942.923  170.773 81.71704 276.2690 
1 1 1  -32    3   45 o  296.160  136.392  -0.5068   2.9223  -0.4835   5.4794  -0.5161   3.4547  370.198  175.621  316.121  146.537 54.07730 228.7267 
1 1 1  -32    3   47 o  1091.34  124.244   23.423   4.1701   21.200   5.2486   27.229   6.8672  929.614  186.792  957.533  231.574 -27.91870 297.5192 
1 1 1  -32    3   49 o  1310.42  117.615   34.408   4.7746   30.725   5.8263   41.939   8.3314  1112.73  172.828  1099.80  247.864 12.93237 302.1689 
1 1 1  -32    3   51 o  651.838  169.117   11.656   3.4814   5.7611   4.2013   24.575   6.2194  398.299  174.931  773.901  235.558 -375.6019 293.4079 
1 1 1  -32    3   53 o  994.590  139.505   24.466   4.2251   24.375   5.1334   24.658   7.4392  842.729  197.910  527.050  232.095 315.6787 305.0187 
1 1 1  -32    3   55 o  275.695  130.879   1.8532   3.0533   3.1867   3.7328  -0.8430   5.3078  295.436  141.481  263.553  133.163 31.88272 194.2916 
1 1 1  -32    4    2 f  1354.55   87.529   29.218   3.6926   33.767   5.1950   24.573   5.2497  1447.89  115.548  1225.59  139.269 222.2991 180.9621 
1 1 1  -32    4    4 o  427.260  142.780   2.8178   2.2438   2.6488   3.3428   2.9564   3.0270  456.155  171.862  457.381  165.046 -1.225311 238.2782 
1 1 1  -32    4    6 f  1866.43   83.158   55.181   4.8599   55.088   6.8327   55.276   6.9140  1850.29  118.556  1852.93  119.809 -2.633911 168.5517 
1 1 1  -32    4    8 o  361.699  138.046   1.5174   2.1744  -0.8281   3.2238   3.4750   2.9451  343.409  151.924  476.967  163.558 -133.5580 223.2314 
1 1 1  -32    4   10 o  848.748  106.693   11.670   2.7728   14.513   3.9543   8.9198   3.8894  938.146  138.799  722.375  174.014 215.7714 222.5894 
1 1 1  -32    4   12 o  603.840  142.830   6.1406   2.6583   4.7522   4.9966   6.6887   3.1395  574.151  211.301  627.753  159.418 -53.60193 264.6931 
1 1 1  -32    4   14 o  587.837  144.531   5.8307   2.6417   11.725   4.9268   3.4523   3.1296  822.269  194.414  480.097  168.374 342.1714 257.1898 
1 1 1  -32    4   16 o  1401.42  116.741   31.745   5.0762   34.798   7.3431   28.951   7.0252  1445.91  165.152  1312.49  175.323 133.4165 240.8590 
1 1 1  -32    4   18 o  1483.75  119.574   35.656   5.5082   44.626   7.7753   26.618   7.8044  1644.47  152.743  1238.64  208.638 405.8342 258.5735 
1 1 1  -32    4   20 o  879.574  146.319   12.944   3.8883   8.7215   5.4752   17.241   5.5228  706.969  222.030  1002.23  182.718 -295.2596 287.5469 
1 1 1  -32    4   22 o  1858.10  169.707   57.880   9.7648   0.0000   0.0000   57.880   9.7648  ?   ?   1858.10  169.707 0.000000 169.7066 
1 1 1  -32    4   24 o  907.295  145.335   13.812   3.9895   10.848   5.5590   16.959   5.7289  776.490  219.100  985.149  192.620 -208.6594 291.7316 
1 1 1  -32    4   26 o  309.084  136.544  -0.5893   2.5950   1.1274   4.4631  -1.4661   3.1896  447.110  187.948  323.258  146.412 123.8514 238.2458 
1 1 1  -32    4   28 f  1903.35  100.081   58.397   5.9437   59.866   10.104   57.619   7.3500  1874.22  174.156  1875.05  125.918 -0.8289795 214.9087 
1 1 1  -32    4   30 o  550.050  152.187   5.2183   2.7098   2.3357   4.1839   7.3012   3.5565  466.485  187.406  643.984  172.783 -177.4989 254.9019 
1 1 1  -32    4   32 o  472.475  166.424   3.5234   3.0596   5.5302   3.9406   0.4770   4.8550  567.100  189.216  441.240  190.988 125.8595 268.8471 
1 1 1  -32    4   34 o  1006.46  101.702   16.612   3.1611   14.461   4.7709   18.296   4.2206  899.781  175.638  1041.06  132.475 -141.2741 219.9958 
1 1 1  -32    4   36 o  326.535  138.908   0.4052   2.4859   1.5951   3.7382  -0.5383   3.3286  418.413  173.646  344.654  153.331 73.75839 231.6538 
1 1 1  -32    4   38 f  1969.75  101.438   64.424   6.2352   71.333   11.118   61.254   7.5310  1951.39  184.134  1888.97  128.082 62.41699 224.2992 
1 1 1  -32    4   40 o  502.303  167.814   4.8339   3.0995   7.6463   6.6578   4.0557   3.5022  588.979  236.481  472.728  176.339 116.2503 294.9894 
1 1 1  -32    4   42 o  1783.69  105.426   55.171   5.8621   68.620   10.683   49.378   7.0120  1801.59  192.348  1631.16  138.600 170.4360 237.0820 
1 1 1  -32    4   44 o  645.258  162.440   8.8138   3.2798   12.170   5.5046   6.9665   4.0838  664.193  223.628  536.632  191.923 127.5612 294.6926 
1 1 1  -32    4   46 o  1077.62  112.841   21.670   3.7511   22.267   5.3080   21.075   5.3018  985.526  178.584  946.062  185.601 39.46393 257.5651 
1 1 1  -32    4   48 o  1492.27  116.362   43.440   5.3942   45.011   6.7313   40.620   9.0176  1421.06  153.727  1031.61  274.389 389.4506 314.5180 
1 1 1  -32    4   50 o  503.311  168.809   7.1626   3.1365   7.4176   3.7725   6.5918   5.6448  476.694  181.858  409.414  188.910 67.28021 262.2202 
1 1 1  -32    4   52 o  1248.68  123.587   34.485   4.7687   31.080   5.7736   41.794   8.4591  1015.44  188.524  849.433  276.935 166.0049 335.0143 
1 1 1  -32    4   54 o  976.671  140.778   24.680   4.1809   22.371   5.0086   29.988   7.5929  740.827  207.596  552.023  238.891 188.8046 316.4886 
1 1 1  -32    5    1 o  518.757  154.844   4.4518   2.7068   5.3516   4.5582   3.9616   3.3642  585.832  203.329  508.145  174.775 77.68646 268.1213 
1 1 1  -32    5    3 o  529.518  147.903   4.6852   2.5466   7.1047   4.5785   3.6014   3.0644  649.966  202.859  485.789  166.823 164.1773 262.6435 
1 1 1  -32    5    5 o  544.415  144.477   4.9710   2.5037   1.5217   4.1713   6.9136   3.1303  452.617  185.174  639.227  157.432 -186.6095 243.0518 
1 1 1  -32    5    7 o  947.918  108.140   14.517   3.1523   15.555   5.3710   13.971   3.8935  955.341  186.238  920.458  139.456 34.88239 232.6641 
1 1 1  -32    5    9 o  1091.51  106.067   19.176   3.5793   13.901   6.4349   21.539   4.3072  887.052  229.815  1152.82  121.131 -265.7726 259.7838 
1 1 1  -32    5   11 f  580.084  149.839   5.6738   2.7408   4.4510   4.5300   6.3800   3.4424  553.982  201.599  613.559  172.164 -59.57733 265.1086 
1 1 1  -32    5   13 o  924.750  115.363   13.899   3.2678   13.378   5.5106   14.183   4.0584  876.624  204.502  924.886  144.895 -48.26221 250.6304 
1 1 1  -32    5   15 o  1546.54  121.499   38.675   5.8363   37.817   8.4846   39.446   8.0410  1498.93  184.678  1539.41  169.632 -40.47852 250.7606 
1 1 1  -32    5   17 o  549.899  171.365   5.0155   3.2686   13.635   4.6947  -3.0935   4.5536  894.622  173.856  367.557  169.623 527.0651 242.8948 
1 1 1  -32    5   19 o  295.432  133.952  -1.3762   2.6780  -1.0873   4.2226  -1.5706   3.4637  388.708  172.825  338.661  153.055 50.04614 230.8553 
1 1 1  -32    5   21 o  1399.66  121.688   31.843   5.2802   33.876   7.5215   29.867   7.4142  1418.49  172.919  1325.08  183.627 93.41455 252.2299 
1 1 1  -32    5   23 o  1471.49   98.308   34.776   4.5036   35.795   7.8907   34.284   5.4846  1453.59  177.018  1451.32  121.816 2.274780 214.8826 
1 1 1  -32    5   25 o  694.256  151.957   8.2345   3.2117   8.6903   5.3514   7.9779   4.0152  700.970  219.400  675.310  184.602 25.66028 286.7307 
1 1 1  -32    5   27 o  432.414  160.146   2.5824   2.8783  -0.2323   5.5160   3.6356   3.3740  457.622  200.726  489.012  174.496 -31.39029 265.9696 
1 1 1  -32    5   29 o  756.262  122.493   9.5265   2.8015   10.155   4.2114   9.0276   3.7521  758.899  179.955  718.685  169.484 40.21454 247.2015 
1 1 1  -32    5   31 f  1301.30  105.873   27.566   4.2766   26.544   5.2689   29.539   7.3214  1261.72  135.486  1299.34  185.191 -37.62317 229.4603 
1 1 1  -32    5   33 o  3305.88  100.701  177.044   10.424  189.253   14.889  165.305   14.599  3363.63  141.361  3132.76  148.831 230.8723 205.2644 
1 1 1  -32    5   35 o  1760.39   86.897   50.007   4.7900   54.423   6.9614   46.036   6.6011  1805.52  123.883  1656.30  128.279 149.2152 178.3327 
1 1 1  -32    5   37 o  1661.72  101.652   45.652   5.2638   48.464   9.4343   44.382   6.3428  1611.13  190.709  1615.34  126.409 -4.210815 228.7995 
1 1 1  -32    5   39 o  1215.21  110.207   25.119   4.1479   23.625   7.5403   25.767   4.9670  1041.06  236.671  1209.28  133.394 -168.2249 271.6748 
1 1 1  -32    5   41 o  1502.73  109.150   39.055   5.1009   44.460   9.5092   36.872   6.0441  1418.32  221.346  1421.65  137.492 -3.330444 260.5728 
1 1 1  -32    5   43 o  1545.67   95.427   41.142   4.5960   37.620   6.7013   44.270   6.3152  1374.58  158.606  1541.62  132.101 -167.0360 206.4131 
1 1 1  -32    5   45 o  379.459  165.324   2.0928   3.6863   0.4440   4.5021   5.4469   6.4210  363.370  168.031  467.835  210.189 -104.4654 269.0979 
1 1 1  -32    5   47 o  488.440  164.480   5.7571   2.9778   3.3088   4.1264   8.4179   4.3017  396.270  173.718  538.564  196.382 -142.2946 262.1905 
1 1 1  -32    5   49 o  1680.01  109.971   54.797   5.7532   62.583   7.1377   40.356   9.7202  1719.06  133.651  864.848  297.105 854.2162 325.7822 
1 1 1  -32    5   51 o  1377.23  118.816   39.830   5.0737   41.769   6.2113   35.943   8.7955  1301.82  155.450  739.467  278.739 562.3544 319.1554 
1 1 1  -32    5   53 o  1410.51  119.385   44.406   5.2233   42.686   6.4239   47.763   8.9730  1198.45  176.468  818.469  285.212 379.9774 335.3901 
1 1 1  -32    6    2 o  600.946  149.758   6.0827   2.8079   8.3980   4.9015   4.9517   3.4257  700.566  208.199  551.349  175.914 149.2173 272.5667 
1 1 1  -32    6    4 o  415.794  149.652   2.4121   2.4868   6.6367   4.6269   0.6961   2.9489  633.600  204.686  371.477  154.203 262.1228 256.2711 
1 1 1  -32    6    6 o  322.562  135.537   0.3165   2.3194  -4.5776   4.6416   1.9454   2.6778  349.932  164.685  403.395  153.378 -53.46362 225.0460 
1 1 1  -32    6    8 o  875.666  115.059   12.461   3.0785   9.5143   5.2126   14.039   3.8148  741.738  213.136  924.117  135.891 -182.3782 252.7713 
1 1 1  -32    6   10 o  378.027  144.658   1.6487   2.3916  -4.1078   4.2219   4.3687   2.9021  335.150  157.518  517.210  161.519 -182.0601 225.6109 
1 1 1  -32    6   12 f  1109.80  105.459   19.815   3.6207   22.405   6.4859   18.643   4.3640  1150.54  186.412  1067.58  133.462 82.95227 229.2629 
1 1 1  -32    6   14 o  1211.75  126.446   23.868   4.7271   21.590   6.7539   26.054   6.6183  1122.12  199.531  1247.08  174.245 -124.9647 264.9035 
1 1 1  -32    6   16 o  1505.09  121.133   36.630   5.6605   45.701   8.3409   28.886   7.7068  1662.25  162.322  1302.59  194.944 359.6587 253.6762 
1 1 1  -32    6   18 o  1789.41  119.782   51.711   6.6727   64.371   9.7511   40.561   9.1508  1975.22  159.007  1546.18  193.227 429.0377 250.2402 
1 1 1  -32    6   20 o  1612.04  122.410   42.122   6.1327   43.133   8.9558   41.229   8.4154  1599.42  182.068  1567.95  174.359 31.47644 252.0907 
1 1 1  -32    6   22 o  1620.34   98.290   42.088   4.9634   46.319   8.6789   40.032   6.0505  1663.62  168.952  1569.28  124.146 94.33875 209.6590 
1 1 1  -32    6   24 o  1994.27   96.981   63.578   6.0560   78.580   11.039   57.118   7.2434  2171.19  163.573  1874.31  124.122 296.8771 205.3347 
1 1 1  -32    6   26 o  2129.21   86.191   72.235   5.7464   66.601   8.2190   77.623   8.0373  2018.06  130.771  2187.90  117.752 -169.8395 175.9733 
1 1 1  -32    6   28 o  1389.68   89.070   30.966   3.8554   33.664   5.7115   28.708   5.2256  1431.28  128.822  1321.40  127.894 109.8849 181.5262 
1 1 1  -32    6   30 o  1061.08  115.987   18.482   3.7909   18.381   4.6802   18.674   6.4643  1043.92  147.270  1017.26  209.906 26.66650 256.4154 
1 1 1  -32    6   32 o  3368.88  101.406  183.493   10.697  198.682   15.254  168.794   15.005  3454.91  141.000  3170.45  151.151 284.4607 206.7070 
1 1 1  -32    6   34 o  1884.88  101.519   57.914   5.9696   60.024   10.965   57.025   7.1166  1826.79  194.695  1853.05  123.356 -26.26245 230.4839 
1 1 1  -32    6   36 o  1797.54  101.052   53.126   5.6647   55.670   10.154   51.976   6.8256  1741.24  189.277  1756.04  124.949 -14.79675 226.7994 
1 1 1  -32    6   38 o  2141.54  129.491   79.157   8.6424   0.0000   0.0000   79.157   8.6424  ?   ?   2141.54  129.491 0.000000 129.4906 
1 1 1  -32    6   40 o  807.957  145.966   12.073   3.5569   21.327   7.3563   9.2499   4.0635  952.864  245.144  670.700  186.648 282.1641 308.1119 
1 1 1  -32    6   42 o  2029.04   92.243   69.708   5.8606   70.166   8.5090   69.296   8.0836  1937.66  141.216  1941.64  133.776 -3.979614 194.5196 
1 1 1  -32    6   44 o  1175.49  104.539   24.536   3.8077   21.210   5.8134   27.035   5.0389  955.794  200.639  1184.10  138.522 -228.3065 243.8116 
1 1 1  -32    6   46 o  1257.86  131.541   31.055   5.1043   32.670   6.2423   27.797   8.8670  1218.26  168.120  825.204  283.750 393.0553 329.8155 
1 1 1  -32    6   48 o  1627.06   98.809   48.670   5.0102   48.697   7.1066   48.643   7.0646  1475.61  156.180  1478.20  154.931 -2.595825 219.9907 
1 1 1  -32    6   50 o  1364.36  121.164   38.375   5.1224   39.092   6.3018   36.978   8.7943  1265.01  162.877  844.276  282.668 420.7344 326.2363 
1 1 1  -32    6   52 o  1700.62  117.350   61.814   6.2107   56.013   7.6188   73.305   10.723  1406.36  176.928  1230.54  284.050 175.8254 334.6457 
1 1 1  -32    7    1 o  311.888  140.959  -1.4408   2.9381   0.0000   0.0000  -1.4408   2.9381  ?   ?   311.888  140.959 0.000000 140.9587 
1 1 1  -32    7    3 o  516.749  153.377   4.4091   2.6613   4.7849   4.8601   4.2482   3.1805  574.551  208.855  517.124  169.870 57.42700 269.2143 
1 1 1  -32    7    5 o  1215.26  101.213   23.649   3.8164   21.892   6.4930   24.577   4.7173  1138.35  188.774  1232.33  123.931 -93.98755 225.8198 
1 1 1  -32    7    7 o  631.415  164.177   6.7458   3.2763   16.885   5.2619   0.3267   4.1869  1002.27  173.976  422.281  179.970 579.9851 250.3137 
1 1 1  -32    7    9 o  508.245  152.553   4.2524   2.6219   9.8819   4.4400   1.2384   3.2488  758.922  187.850  403.981  164.134 354.9415 249.4546 
1 1 1  -32    7   11 o  356.473  149.869   0.4154   2.8385   1.2845   4.1768  -0.3303   3.8692  446.441  184.273  390.551  169.772 55.88980 250.5575 
1 1 1  -32    7   13 o  554.018  175.821   5.0239   3.4256   1.9583   5.3507   7.1530   4.4592  508.466  209.069  650.728  199.723 -142.2617 289.1348 
1 1 1  -32    7   15 o  841.672  151.486   11.843   3.8456   17.454   5.6102   6.8695   5.2816  1013.46  183.546  648.349  219.048 365.1103 285.7814 
1 1 1  -32    7   17 o  213.261  105.533  -5.8843   2.6150  -2.9168   3.8379  -8.4560   3.5728  333.767  154.623  244.085  121.230 89.68202 196.4815 
1 1 1  -32    7   19 f  1239.53  102.660   24.691   3.9486   33.734   7.4566   21.166   4.6549  1420.65  171.063  1136.84  133.294 283.8032 216.8636 
1 1 1  -32    7   21 o  1183.56   90.805   22.415   3.3396   21.874   4.8945   22.886   4.5681  1153.00  138.331  1184.82  125.019 -31.82129 186.4544 
1 1 1  -32    7   23 o  1120.75   94.427   20.166   3.2829   20.122   5.0417   20.199   4.3256  1099.19  150.430  1110.90  126.614 -11.69971 196.6227 
1 1 1  -32    7   25 o  2799.13   93.100  125.037   8.1600  123.510   11.632  126.517   11.450  2753.46  134.911  2789.82  131.077 -36.36157 188.1016 
1 1 1  -32    7   27 o  1036.67   97.317   17.345   3.1220   22.388   4.7115   13.398   4.1685  1165.62  131.378  888.978  155.411 276.6423 203.5009 
1 1 1  -32    7   29 o  2429.99   88.642   94.348   6.7446  103.062   9.6071   85.880   9.4711  2517.24  121.885  2286.54  132.856 230.6946 180.2959 
1 1 1  -32    7   31 o  203.436  100.075  -4.4940   2.2339  -9.4224   3.3964  -0.7368   2.9655  223.357  112.029  326.060  144.908 -102.7035 183.1637 
1 1 1  -32    7   33 o  1603.15  101.967   41.834   5.0920   45.956   9.4900   40.168   6.0342  1606.33  192.510  1556.10  124.893 50.23120 229.4741 
1 1 1  -32    7   35 o  1195.29  114.646   23.795   4.2382   24.518   8.1733   23.529   4.9567  1108.07  242.317  1173.59  137.490 -65.51306 278.6053 
1 1 1  -32    7   37 o  350.504  153.808   0.0337   3.2418   0.0000   0.0000   0.0337   3.2418  ?   ?   350.504  153.808 0.000000 153.8077 
1 1 1  -32    7   39 o  1425.18   94.344   33.864   4.1863   37.289   6.0579   30.734   5.7918  1451.23  134.854  1306.51  143.964 144.7168 197.2595 
1 1 1  -32    7   41 o  1218.07  105.081   25.573   3.9687   20.509   5.8048   30.017   5.4381  989.474  194.291  1279.79  137.882 -290.3129 238.2442 
1 1 1  -32    7   43 o  365.766  153.736   1.7313   2.9856   3.4035   4.5054   0.4220   3.9867  440.191  187.124  362.878  164.083 77.31317 248.8743 
1 1 1  -32    7   45 o  383.889  154.115   2.6951   2.8272  -0.2512   4.2426   5.0487   3.7919  346.170  161.119  466.095  181.135 -119.9245 242.4242 
1 1 1  -32    7   47 o  758.680  183.815   14.077   4.3208   12.485   5.3183   17.168   7.4105  625.256  219.481  635.059  251.292 -9.802856 333.6460 
1 1 1  -32    7   49 o  409.699  166.958   4.4206   3.3743   5.3535   4.4744   3.1902   5.1383  421.568  182.910  379.980  177.008 41.58789 254.5347 
1 1 1  -32    7   51 o  442.967  172.601   6.3010   3.4499   7.9585   4.4743   3.8706   5.4179  450.856  188.780  363.201  172.973 87.65460 256.0420 
1 1 1  -32    7   53 o  352.106  154.209   4.0887   3.2447   2.0383   3.8784   8.8707   5.9229  309.265  147.018  383.579  182.150 -74.31418 234.0791 
1 1 1  -32    8    2 o  501.362  144.085   4.1578   2.3821   1.7677   3.4837   6.2566   3.2645  432.324  171.908  609.417  166.396 -177.0922 239.2487 
1 1 1  -32    8    4 o  618.457  142.286   6.4056   2.6981   7.3643   4.0847   5.6636   3.5937  659.245  188.441  584.907  179.259 74.33844 260.0842 
1 1 1  -32    8    6 o  751.973  116.868   9.2360   2.6624   10.117   4.1235   8.6057   3.4867  771.973  174.666  714.468  159.849 57.50525 236.7696 
1 1 1  -32    8    8 o  1168.23  110.566   21.951   3.9964   19.516   5.0749   25.925   6.4842  1087.54  153.278  1249.42  170.169 -161.8853 229.0232 
1 1 1  -32    8   10 o  538.574  160.861   4.7986   2.9205   5.6106   3.8236   3.6613   4.5250  584.900  185.769  529.924  199.887 54.97675 272.8825 
1 1 1  -32    8   12 o  802.275  136.716   10.640   3.3113   15.657   4.3655   3.8427   5.0815  973.311  147.894  551.153  210.872 422.1587 257.5648 
1 1 1  -32    8   14 o  620.010  157.435   6.4981   3.0621   6.9099   3.9651   5.8896   4.8198  638.707  186.576  609.498  209.222 29.20868 280.3286 
1 1 1  -32    8   16 o  386.583  152.214   1.4926   2.7064   3.0817   3.5060  -0.8506   4.2575  477.623  176.776  397.331  175.245 80.29193 248.9184 
1 1 1  -32    8   18 o  391.154  141.313   2.1145   2.2200   1.6163   3.5226   2.4427   2.8592  427.447  171.876  430.134  159.553 -2.687103 234.5174 
1 1 1  -32    8   20 o  577.380  146.006   5.6299   2.6413   3.3398   4.2528   7.0679   3.3701  508.655  193.318  643.625  166.102 -134.9705 254.8761 
1 1 1  -32    8   22 o  1259.04   88.112   25.312   3.4518   27.191   5.1599   23.791   4.6439  1291.05  129.379  1208.69  124.483 82.36267 179.5412 
1 1 1  -32    8   24 o  1756.89   85.976   49.066   4.7297   54.204   6.7851   44.209   6.5966  1830.46  119.026  1647.76  128.880 182.7059 175.4344 
1 1 1  -32    8   26 o  465.307  152.215   3.4778   2.5547   2.1326   3.9584   4.4381   3.3445  457.761  182.856  523.500  174.303 -65.73941 252.6221 
1 1 1  -32    8   28 o  472.574  150.743   3.6611   2.5156   6.4999   3.9652   1.7489   3.2543  613.658  188.336  416.421  165.972 197.2372 251.0320 
1 1 1  -32    8   30 o  510.547  162.778   4.3651   2.9336  -1.0584   5.7055   6.3142   3.4203  447.308  199.745  601.922  172.557 -154.6134 263.9582 
1 1 1  -32    8   32 o  2801.31  109.045  127.561   9.5650  135.783   16.999  123.751   11.570  2772.30  197.107  2732.21  135.244 40.09155 239.0444 
1 1 1  -32    8   34 o  694.478  146.481   8.4375   3.0851   14.302   6.6029   6.7997   3.4894  848.015  238.612  613.162  173.788 234.8523 295.1915 
1 1 1  -32    8   36 o  1593.24  103.291   41.992   5.1253   42.808   9.0027   41.600   6.2341  1511.91  194.688  1563.26  128.496 -51.34534 233.2695 
1 1 1  -32    8   38 o  848.956  123.018   12.527   3.1749   12.864   4.7765   12.261   4.2495  806.017  191.999  801.689  174.257 4.328247 259.2855 
1 1 1  -32    8   40 o  249.243  119.107  -2.7630   2.6152  -1.9884   3.6913  -3.5436   3.7056  318.814  149.021  294.746  141.102 24.06815 205.2244 
1 1 1  -32    8   42 f  1650.46   92.898   46.275   4.7814   42.864   6.7191   49.774   6.8056  1508.86  143.962  1646.09  133.178 -137.2328 196.1159 
1 1 1  -32    8   44 o  792.394  142.363   12.281   3.4025   10.555   4.8284   13.984   4.7954  642.964  209.206  772.998  197.419 -130.0342 287.6485 
1 1 1  -32    8   46 o  761.245  149.601   12.054   3.4388   5.8583   4.8866   18.132   4.8401  470.763  197.213  890.152  179.838 -419.3889 266.8983 
1 1 1  -32    8   48 o  883.463  213.454   21.999   5.8389   21.999   5.8389   0.0000   0.0000  883.463  213.454  ?   ?  0.000000 213.4542 
1 1 1  -32    8   50 o  870.122  173.196   19.161   4.5529   15.422   5.7181   25.637   7.5256  612.285  225.928  723.586  260.348 -111.3002 344.7094 
1 1 1  -32    8   52 o  1329.95  120.743   38.083   4.9734   38.557   6.2094   37.235   8.3066  1192.38  171.223  794.726  274.559 397.6499 323.5739 
1 1 1  -32    9    1 o  688.638  132.445   7.8519   2.7522   3.6275   3.9973   11.660   3.7950  514.386  189.040  837.870  150.167 -323.4839 241.4254 
1 1 1  -32    9    3 o  974.013  101.102   15.226   3.0386   16.387   4.4322   14.196   4.1738  998.305  146.114  927.056  148.816 71.24951 208.5561 
1 1 1  -32    9    5 o  460.033  143.971   3.3974   2.3044   6.3233   3.5912   1.3493   3.0045  614.001  177.046  396.906  159.037 217.0956 237.9881 
1 1 1  -32    9    7 o  1014.58  101.317   16.512   3.1757   10.714   4.7863   21.072   4.2446  790.732  194.624  1142.16  120.503 -351.4269 228.9090 
1 1 1  -32    9    9 o  911.551  127.165   13.557   3.5308   12.929   4.5127   14.548   5.6697  876.613  170.541  920.453  202.239 -43.83978 264.5468 
1 1 1  -32    9   11 o  927.161  128.026   14.030   3.6177   15.823   4.7457   11.543   5.5895  974.993  161.072  815.689  215.584 159.3035 269.1107 
1 1 1  -32    9   13 o  1057.28  116.569   18.071   3.7950   19.761   4.8871   15.505   6.0230  1096.85  145.914  947.364  208.678 149.4875 254.6316 
1 1 1  -32    9   15 o  817.763  138.852   11.063   3.4283   6.1315   4.4430   18.320   5.3897  612.938  200.745  1046.07  170.413 -433.1349 263.3234 
1 1 1  -32    9   17 o  814.523  115.430   10.812   2.8616   14.588   4.5929   8.4157   3.6585  932.985  163.156  703.450  168.343 229.5344 234.4341 
1 1 1  -32    9   19 o  1207.51   94.263   23.314   3.5359   25.972   5.1252   20.899   4.8844  1262.97  131.529  1128.11  141.380 134.8584 193.1015 
1 1 1  -32    9   21 o  1665.19   88.910   44.156   4.6191   43.576   6.9248   44.621   6.1998  1635.74  136.446  1662.63  119.892 -26.88940 181.6358 
1 1 1  -32    9   23 o  510.579  152.340   4.3343   2.6203  -2.5077   4.1482   8.8771   3.3801  357.271  163.781  724.189  153.809 -366.9180 224.6806 
1 1 1  -32    9   25 o  1103.27   97.063   19.570   3.3190   20.344   4.8361   18.881   4.5634  1108.82  142.592  1068.79  139.699 40.02771 199.6203 
1 1 1  -32    9   27 o  972.800  104.145   15.342   3.1230   11.827   4.7934   17.935   4.1167  821.316  190.141  1043.78  128.683 -222.4633 229.5933 
1 1 1  -32    9   29 o  1986.44  127.366   64.597   7.8805   64.916   11.587   64.323   10.749  1937.70  193.568  1942.09  178.767 -4.393555 263.4886 
1 1 1  -32    9   31 o  576.752  165.292   5.7991   3.1388   11.160   5.7326   3.5037   3.7511  774.372  223.803  490.057  182.557 284.3155 288.8169 
1 1 1  -32    9   33 o  691.804  155.569   8.4284   3.2882   9.9774   5.9998   7.7633   3.9311  720.646  233.111  653.223  184.223 67.42279 297.1169 
1 1 1  -32    9   35 o  807.910  134.245   11.281   3.2769   22.501   6.8132   7.9043   3.7376  1086.29  207.878  652.575  177.988 433.7102 273.6665 
1 1 1  -32    9   37 o  787.841  134.491   10.929   3.1987   13.197   4.9052   9.2518   4.2192  821.424  193.836  687.408  189.781 134.0159 271.2733 
1 1 1  -32    9   39 o  1431.20   97.336   34.349   4.3361   31.687   6.3809   36.634   5.9104  1305.22  159.444  1438.50  132.714 -133.2816 207.4496 
1 1 1  -32    9   41 o  785.028  153.086   11.798   3.6279   19.292   7.2966   9.3375   4.1813  866.257  253.113  658.943  191.339 207.3137 317.2965 
1 1 1  -32    9   43 o  651.787  156.083   8.5679   3.1434   7.6544   4.6854   9.3156   4.2390  562.573  204.980  635.498  194.676 -72.92535 282.6930 
1 1 1  -32    9   45 o  1521.35  101.459   41.051   4.8055   45.548   6.8976   36.809   6.6988  1508.34  147.948  1321.43  165.527 186.9076 222.0091 
1 1 1  -32    9   47 o  1494.03  121.491   42.882   5.6343   45.249   7.0511   38.703   9.3712  1447.22  158.175  1037.17  281.399 410.0546 322.8076 
1 1 1  -32    9   49 o  631.693  214.300   13.283   5.0553   13.283   5.0553   0.0000   0.0000  631.693  214.300  ?   ?  0.000000 214.2996 
1 1 1  -32    9   51 o  992.267  148.220   22.975   4.4641   29.797   5.6605   11.751   7.2603  1063.79  176.094  446.033  208.648 617.7577 273.0256 
1 1 1  -32   10    2 o  924.283  103.670   13.736   2.9487   14.402   4.5300   13.246   3.8842  930.524  161.320  897.011  143.096 33.51361 215.6397 
1 1 1  -32   10    4 o  979.134   99.312   15.362   3.0027   16.313   4.5031   14.601   4.0292  995.775  149.001  943.506  140.682 52.26831 204.9216 
1 1 1  -32   10    6 o  682.014  155.036   7.8054   3.2359   12.310   4.1758   1.0344   5.1194  858.799  161.206  480.792  201.658 378.0073 258.1731 
1 1 1  -32   10    8 o  654.672  155.048   7.2000   3.1294   8.9614   3.9684   4.3033   5.0890  727.106  176.156  567.536  212.397 159.5691 275.9414 
1 1 1  -32   10   10 o  639.379  164.416   6.8919   3.3102   15.526   4.3764  -4.6508   5.0602  970.581  148.743  370.727  173.665 599.8542 228.6569 
1 1 1  -32   10   12 o  510.233  161.089   4.2000   2.8784   3.9390   3.9518   4.4948   4.2010  524.083  188.651  550.381  194.889 -26.29767 271.2391 
1 1 1  -32   10   14 f  759.556  126.808   9.4793   2.9096   10.376   4.4610   8.8158   3.8384  779.601  185.442  720.845  172.384 58.75580 253.1900 
1 1 1  -32   10   16 o  954.057  107.673   14.679   3.1603   18.084   4.8968   12.249   4.1374  1045.76  154.166  855.198  160.397 190.5569 222.4731 
1 1 1  -32   10   18 o  907.122  107.726   13.297   3.0001   7.3440   4.5015   18.053   4.0240  659.187  200.350  1054.05  124.312 -394.8657 235.7831 
1 1 1  -32   10   20 o  854.968  122.524   11.953   3.1863   11.707   4.7698   12.151   4.2819  825.243  188.694  848.034  167.194 -22.79126 252.1099 
1 1 1  -32   10   22 o  543.816  156.415   4.9564   2.8062   6.5541   4.5962   4.0069   3.5432  627.963  204.104  513.267  179.204 114.6956 271.6110 
1 1 1  -32   10   24 o  2966.76   95.291  140.242   8.8522  149.367   12.651  131.489   12.391  3036.75  133.044  2844.80  139.104 191.9541 192.4847 
1 1 1  -32   10   26 o  1240.26  106.471   24.838   4.0948   34.614   7.9996   21.367   4.7666  1427.10  183.251  1138.51  136.424 288.5980 228.4564 
1 1 1  -32   10   28 o  666.333  190.246   7.7898   4.1658   1.5055   6.0635   13.408   5.7331  513.214  217.577  863.079  213.353 -349.8650 304.7284 
1 1 1  -32   10   30 o  1021.93  116.297   17.171   3.6551   19.979   6.8562   16.057   4.3202  1048.11  216.090  974.736  146.045 73.37213 260.8144 
1 1 1  -32   10   32 o  1282.34   98.468   26.750   3.9236   23.167   5.8770   29.632   5.2701  1153.02  167.696  1333.40  127.790 -180.3779 210.8368 
1 1 1  -32   10   34 o  456.582  164.124   3.3347   2.9901   8.7799   5.7564   1.3227   3.4991  672.690  228.674  402.497  167.602 270.1932 283.5176 
1 1 1  -32   10   36 o  332.321  142.660   0.3767   2.6654   3.9035   4.0836  -2.2412   3.5182  491.999  188.845  315.406  146.774 176.5930 239.1761 
1 1 1  -32   10   38 o  1238.93   98.648   25.674   3.7952   26.601   5.6867   24.929   5.0962  1209.08  153.678  1183.64  140.229 25.43481 208.0414 
1 1 1  -32   10   40 o  371.005  152.576   1.6444   2.8504  -2.1832   4.2283   4.8325   3.8591  338.204  158.531  499.376  185.337 -161.1729 243.8893 
1 1 1  -32   10   42 o  1502.21  115.102   39.870   5.3730   47.057   9.5580   36.549   6.4966  1443.23  218.322  1380.79  152.821 62.44067 266.4936 
1 1 1  -32   10   44 o  721.928  175.210   11.260   3.9206   9.4093   5.2014   13.694   5.9662  595.796  216.142  701.372  232.766 -105.5757 317.6431 
1 1 1  -32   10   46 o  333.023  153.359   0.0324   3.6939  -1.2786   4.6913   2.1715   5.9923  339.849  161.597  411.735  191.585 -71.88589 250.6354 
1 1 1  -32   10   48 o  436.536  177.556   4.8914   3.8072   3.9164   4.7631   6.6162   6.3354  410.130  182.870  453.396  205.750 -43.26630 275.2722 
1 1 1  -32   10   50 o  513.380  187.338   8.2111   3.9157   9.0534   5.1087   7.0117   6.0965  486.465  202.536  427.068  196.798 59.39694 282.4008 
1 1 1  -32   11    1 o  435.379  152.808   2.7452   2.5779   1.3941   3.9966   3.7079   3.3735  443.910  181.392  500.353  174.850 -56.44336 251.9433 
1 1 1  -32   11    3 o  790.877  141.195   10.332   3.3683   18.027   6.8949   7.9196   3.8603  1022.68  221.706  684.276  178.351 338.4074 284.5397 
1 1 1  -32   11    5 o  645.748  162.540   7.0116   3.2842   3.8426   4.2346   11.795   5.2024  529.869  194.596  830.163  202.045 -300.2936 280.5170 
1 1 1  -32   11    7 o  383.024  154.424   1.1502   2.8518   2.1879   3.5611  -0.7052   4.7618  450.756  175.436  426.927  186.900 23.82898 256.3381 
1 1 1  -32   11    9 o  619.859  155.614   6.4458   3.0159   7.0694   3.7425   5.2909   5.0932  647.891  178.686  599.090  214.325 48.80103 279.0409 
1 1 1  -32   11   11 o  347.154  144.939   0.4676   2.6267   2.7242   3.5407  -2.2945   3.9171  468.293  176.772  351.796  160.468 116.4974 238.7429 
1 1 1  -32   11   13 o  1351.15   91.543   29.045   3.8501   31.095   5.6718   27.292   5.2432  1386.63  132.232  1298.81  130.700 87.81226 185.9240 
1 1 1  -32   11   15 o  544.932  154.136   4.9415   2.7477   8.5509   4.2441   2.3368   3.6054  708.453  188.149  456.668  176.859 251.7845 258.2234 
1 1 1  -32   11   17 o  545.358  152.559   4.9619   2.7073   4.3185   4.3559   5.3669   3.4560  547.461  197.921  570.659  175.940 -23.19830 264.8158 
1 1 1  -32   11   19 o  622.879  154.720   6.5447   3.0041  -1.6099   4.9879   11.186   3.7631  417.009  186.449  818.375  152.461 -401.3655 240.8472 
1 1 1  -32   11   21 o  3849.93  109.403  236.783   13.189  242.958   18.787  230.783   18.519  3860.79  155.402  3761.03  157.254 99.76001 221.0852 
1 1 1  -32   11   23 o  1484.26  105.633   35.368   4.8773   29.747   8.6342   38.002   5.9107  1308.86  218.368  1531.63  124.317 -222.7708 251.2755 
1 1 1  -32   11   25 o  1603.35  102.207   41.264   5.1045   44.455   9.6633   40.030   6.0117  1614.36  195.126  1570.35  123.250 44.00635 230.7915 
1 1 1  -32   11   27 o  703.839  179.187   8.6378   3.9594   4.1142   6.1772   11.792   5.1584  577.703  229.165  814.725  202.955 -237.0222 306.1164 
1 1 1  -32   11   29 o  613.770  153.758   6.5111   2.9488  -1.7136   4.6215   12.159   3.8297  390.388  176.581  845.005  150.245 -454.6168 231.8494 
1 1 1  -32   11   31 o  1031.18  108.187   17.457   3.4412   18.640   5.3643   16.630   4.4858  1031.80  172.096  985.880  150.046 45.92059 228.3222 
1 1 1  -32   11   33 o  1969.45   88.838   62.655   5.4785   62.637   7.8231   62.674   7.6746  1931.99  130.074  1935.22  127.362 -3.228394 182.0448 
1 1 1  -32   11   35 o  1150.69  100.999   21.906   3.6023   18.012   5.2965   25.258   4.9137  990.031  177.368  1214.58  131.291 -224.5486 220.6728 
1 1 1  -32   11   37 o  885.057  125.288   13.587   3.3751   12.076   5.2544   14.649   4.4038  766.049  211.910  890.552  163.967 -124.5038 267.9385 
1 1 1  -32   11   39 o  528.958  174.515   5.4359   3.3555   7.0331   4.7511   3.8463   4.7397  580.625  207.078  485.142  197.807 95.48352 286.3718 
1 1 1  -32   11   41 o  411.742  167.264   2.5457   3.3733   2.6259   4.3818   2.4289   5.2855  435.738  184.858  449.135  196.759 -13.39691 269.9750 
1 1 1  -32   11   43 o  1372.11  147.667   36.112   6.2445   37.941   8.7636   34.226   8.9000  1257.47  231.086  1147.71  254.339 109.7596 343.6403 
1 1 1  -32   11   45 o  1190.43  134.231   27.123   4.9161   26.081   6.1217   29.016   8.2501  1082.18  187.448  990.580  261.965 91.59985 322.1222 
1 1 1  -32   11   47 o  1116.90  142.335   25.326   4.8647   29.769   6.1091   17.626   8.0424  1148.55  175.432  640.998  259.012 507.5552 312.8317 
1 1 1  -32   11   49 f  376.078  165.148   2.9183   3.7433   3.1349   4.6836   2.5352   6.2282  386.326  175.927  387.052  184.641 -0.7258301 255.0348 
1 1 1  -32   12    2 o  751.838  183.795   9.6007   4.2906   9.6007   4.2906   0.0000   0.0000  751.838  183.795  ?   ?  0.000000 183.7950 
1 1 1  -32   12    4 o  629.767  238.986   5.2074   6.4932   5.2074   6.4932   0.0000   0.0000  629.767  238.986  ?   ?  0.000000 238.9858 
1 1 1  -32   12    6 o  575.948  171.810   5.4756   3.3332   8.2910   4.2690   1.0788   5.3349  699.729  189.961  491.151  205.923 208.5782 280.1595 
1 1 1  -32   12    8 o  279.606  131.481  -3.0450   2.9480  -1.8284   3.8103  -4.8595   4.6531  355.655  160.651  348.114  164.149 7.541290 229.6820 
1 1 1  -32   12   10 o  596.872  164.430   5.9570   3.1712   7.8958   4.1043   3.0847   4.9955  683.401  186.567  530.172  207.387 153.2288 278.9562 
1 1 1  -32   12   12 o  1908.34   87.509   57.599   5.2291   60.792   7.6295   54.772   7.1810  1946.22  125.869  1847.30  124.878 98.91516 177.3061 
1 1 1  -32   12   14 o  455.515  155.306   3.1303   2.6552   2.3515   3.9996   3.7441   3.5505  472.676  185.381  506.517  179.186 -33.84085 257.8253 
1 1 1  -32   12   16 f  943.687  115.788   14.410   3.3497   18.594   5.1677   11.379   4.3989  1059.64  160.796  819.984  176.549 239.6588 238.7989 
1 1 1  -32   12   18 o  1893.86   89.506   56.838   5.3078   61.520   7.8409   52.878   7.2114  1953.83  128.886  1811.18  127.981 142.6550 181.6335 
1 1 1  -32   12   20 o  580.889  177.445   5.6098   3.5246   1.6394   7.7841   6.6338   3.9531  580.920  246.415  627.425  187.092 -46.50494 309.3924 
1 1 1  -32   12   22 o  1458.88  110.718   34.229   5.0200   31.368   9.7007   35.275   5.8666  1333.37  241.225  1474.52  128.343 -141.1543 273.2428 
1 1 1  -32   12   24 o  905.675  135.212   13.562   3.7170   2.5218   7.4459   17.226   4.2897  581.926  243.585  1021.91  137.555 -439.9800 279.7410 
1 1 1  -32   12   26 o  492.925  185.785   3.2865   3.9071   8.1990   6.7455   0.8063   4.7930  697.311  246.950  454.368  193.074 242.9429 313.4678 
1 1 1  -32   12   28 f  743.407  135.039   9.3118   3.0276   2.1930   4.6731   14.462   3.9747  481.186  196.328  927.981  141.244 -446.7951 241.8568 
1 1 1  -32   12   30 o  1250.51   98.635   25.378   3.8309   33.596   5.9374   19.517   5.0142  1419.00  135.265  1068.48  154.347 350.5188 205.2305 
1 1 1  -32   12   32 o  1579.11   92.816   40.444   4.5692   39.248   6.6265   41.528   6.3088  1522.04  140.630  1575.24  129.035 -53.20398 190.8581 
1 1 1  -32   12   34 o  2005.49  107.358   66.440   6.7173   63.572   8.2793   71.964   11.491  1929.30  137.960  1986.61  186.922 -57.30713 232.3205 
1 1 1  -32   12   36 o  1185.27  124.573   24.041   4.5542   33.228   5.9199   10.720   7.1283  1381.50  138.725  699.956  253.168 681.5449 288.6840 
1 1 1  -32   12   38 o  1488.74  111.877   37.650   5.1771   42.227   6.5326   29.921   8.4888  1548.71  136.091  1178.01  238.320 370.7050 274.4396 
1 1 1  -32   12   40 o  1505.27  116.752   39.321   5.4599   38.007   6.8686   41.577   8.9989  1426.86  156.290  1407.61  210.644 19.25574 262.2930 
1 1 1  -32   12   42 o  2301.43  112.013   92.344   8.0720   90.703   9.9137   95.574   13.904  2205.67  144.338  2066.79  218.143 138.8740 261.5719 
1 1 1  -32   12   44 o  1012.27  177.294   21.543   5.4148   14.909   8.1843   26.708   7.2212  661.739  263.377  1045.01  227.167 -383.2748 347.8105 
1 1 1  -32   12   46 o  507.677  184.852   6.2365   3.8095   3.6040   4.7031   11.258   6.4959  429.278  186.892  586.667  234.281 -157.3883 299.6929 
1 1 1  -32   12   48 o  1723.06  119.275   56.887   6.3957   63.997   7.9654   43.985   10.730  1748.51  146.846  994.664  310.566 753.8460 343.5335 
1 1 1  -32   13    1 o  997.049  167.855   16.573   5.0543   16.573   5.0543   0.0000   0.0000  997.049  167.855  ?   ?  0.000000 167.8549 
1 1 1  -32   13    3 o  406.833  175.459  -0.1364   4.0679  -0.1364   4.0679   0.0000   0.0000  406.833  175.459  ?   ?  0.000000 175.4586 
1 1 1  -32   13    5 o  479.614  211.090  -1.0281   6.1461  -1.0281   6.1461   0.0000   0.0000  479.614  211.090  ?   ?  0.000000 211.0902 
1 1 1  -32   13    7 o  564.249  165.249   5.2654   3.1069   5.9965   4.3505   4.5045   4.4384  610.137  198.587  558.209  200.035 51.92737 281.8701 
1 1 1  -32   13    9 o  565.228  173.561   5.2269   3.3670  -2.5352   4.4507   15.614   5.1485  375.764  171.264  965.833  176.753 -590.0684 246.1158 
1 1 1  -32   13   11 o  315.923  142.703  -1.4891   3.0064   0.2483   3.9445  -3.8974   4.6440  410.705  174.851  362.207  168.579 48.49762 242.8818 
1 1 1  -32   13   13 o  608.567  167.385   6.2092   3.2893   3.0591   4.2132   11.126   5.2639  503.071  192.122  805.006  207.512 -301.9352 282.7933 
1 1 1  -32   13   15 o  1075.74  120.328   18.701   3.9837   23.233   5.3002   12.815   6.0396  1192.76  144.889  859.415  222.639 333.3456 265.6336 
1 1 1  -32   13   17 o  370.301  155.449   0.4729   3.0464  -3.7000   4.3904   4.3475   4.2305  351.442  163.683  545.583  195.315 -194.1406 254.8335 
1 1 1  -32   13   19 o  1574.10  133.376   40.149   6.5121   30.095   9.9485   47.687   8.6140  1305.04  252.585  1702.54  163.596 -397.5045 300.9366 
1 1 1  -32   13   21 o  1153.49  163.053   22.157   5.7251   17.834   9.0905   24.998   7.3704  984.722  280.992  1208.55  201.886 -223.8317 345.9978 
1 1 1  -32   13   23 o  2082.58  134.032   70.544   8.6939   64.400   12.854   75.725   11.803  1933.21  216.033  2127.66  178.828 -194.4413 280.4458 
1 1 1  -32   13   25 o  2576.95  108.947  106.724   8.7910  105.721   10.862  108.630   14.966  2542.64  136.940  2528.19  190.453 14.44312 234.5737 
1 1 1  -32   13   27 f  800.354  161.189   11.023   3.8999   14.988   4.9907   4.8057   6.2497  928.459  178.145  592.386  231.898 336.0731 292.4252 
1 1 1  -32   13   29 o  641.625  174.889   7.2872   3.6099   4.9885   4.4339   11.806   6.2169  555.716  199.850  791.021  234.341 -235.3048 307.9861 
1 1 1  -32   13   31 o  329.293  149.171  -1.3221   3.3125  -3.2285   4.2153   1.7561   5.3564  340.066  159.047  483.296  204.673 -143.2303 259.2050 
1 1 1  -32   13   33 o  769.792  167.427   10.684   3.9207   9.8573   4.8953   12.164   6.5481  717.495  206.654  773.801  242.777 -56.30548 318.8206 
1 1 1  -32   13   35 o  511.778  180.088   4.5987   3.5818   3.5634   4.4136   6.5958   6.1299  490.800  194.020  599.029  230.996 -108.2287 301.6671 
1 1 1  -32   13   37 o  498.644  180.859   4.4150   3.6415   5.7111   4.5535   2.1151   6.0655  551.067  201.879  485.335  211.743 65.73233 292.5582 
1 1 1  -32   13   39 o  1376.05  117.297   32.616   5.0058   34.648   6.2252   28.898   8.4205  1385.53  145.671  1139.30  243.430 246.2366 283.6868 
1 1 1  -32   13   41 o  1051.72  135.241   20.055   4.3505   16.232   5.3466   27.546   7.4843  877.187  199.200  1118.90  221.460 -241.7142 297.8681 
1 1 1  -32   13   43 o  675.031  172.692   9.4582   3.6650   9.2070   4.6006   9.8945   6.0632  629.138  204.188  615.072  231.513 14.06628 308.6927 
1 1 1  -32   13   45 o  917.006  190.191   18.736   5.2820   18.165   8.1994   19.140   6.9058  718.567  269.468  816.247  248.165 -97.67963 366.3315 
1 1 1  -32   13   47 o  1873.28  150.345   72.102   8.7445   72.102   8.7445   0.0000   0.0000  1873.28  150.345  ?   ?  0.000000 150.3454 
1 1 1  -32   14    2 o  337.366  152.958  -1.8046   3.4914   1.7144   4.0335 -12.3202   6.9725  453.981  183.435  370.198  181.009 83.78244 257.7061 
1 1 1  -32   14    4 o  354.340  146.385   0.6633   2.6391   4.4176   4.2663  -1.6640   3.3590  549.785  196.212  333.024  150.595 216.7605 247.3419 
1 1 1  -32   14    6 o  1327.39  140.118   28.605   5.7358   23.097   8.8535   32.589   7.5297  1146.75  253.320  1404.48  175.014 -257.7288 307.8976 
1 1 1  -32   14    8 o  692.796  159.662   8.0626   3.3925   7.8118   4.6842   8.3393   4.9198  681.681  203.748  702.658  208.533 -20.97675 291.5465 
1 1 1  -32   14   10 o  487.565  172.915   3.4296   3.3083   4.5106   4.3814   1.9958   5.0461  556.517  198.817  502.163  204.351 54.35464 285.1093 
1 1 1  -32   14   12 o  316.766  140.738  -0.9078   2.7954  -4.0971   3.9518   2.2860   3.9546  321.891  151.630  469.024  184.212 -147.1331 238.5908 
1 1 1  -32   14   14 o  409.959  162.828   1.5617   3.1222   3.8148   3.9740  -2.0715   5.0465  520.609  188.919  412.383  185.707 108.2260 264.9102 
1 1 1  -32   14   16 o  678.472  191.737   7.8236   4.2538   6.7405   7.0383   8.4470   5.3394  677.828  250.548  706.484  218.833 -28.65637 332.6592 
1 1 1  -32   14   18 o  593.500  186.443   5.8222   3.8605   12.028   5.8645   1.0769   5.1283  829.407  221.596  479.860  201.579 349.5464 299.5640 
1 1 1  -32   14   20 o  1338.59  141.013   29.319   5.8216   18.675   8.3814   39.241   8.0922  1013.85  262.094  1536.02  171.159 -522.1724 313.0318 
1 1 1  -32   14   22 f  1226.03  113.512   24.318   4.3083   25.912   5.3954   21.514   7.1569  1255.85  139.566  1108.83  213.880 147.0253 255.3884 
1 1 1  -32   14   24 o  1707.33  108.947   47.014   5.7940   42.403   7.3081   54.818   9.5067  1601.74  147.366  1807.65  169.952 -205.9077 224.9454 
1 1 1  -32   14   26 o  350.785  155.390  -0.7441   3.3832  -0.3222   4.8239  -1.1524   4.7462  428.243  187.779  408.053  182.200 20.19009 261.6447 
1 1 1  -32   14   28 o  736.787  174.181   9.5779   3.9551   8.2750   5.0431   11.660   6.3748  677.466  213.140  787.344  238.223 -109.8780 319.6547 
1 1 1  -32   14   30 o  1254.94  125.787   26.199   4.8763   17.840   6.1311   40.591   8.0445  985.995  205.258  1529.14  170.933 -543.1490 267.1127 
1 1 1  -32   14   32 o  1570.40  135.751   41.661   6.6096   39.162   9.3732   44.133   9.3219  1449.71  212.820  1558.79  195.269 -109.0770 288.8297 
1 1 1  -32   14   34 o  880.722  145.473   13.563   3.8717   15.666   4.7202   9.2399   6.7686  932.633  167.804  679.488  246.555 253.1455 298.2411 
1 1 1  -32   14   36 o  1069.15  123.710   19.542   4.0650   17.975   5.1303   22.184   6.6633  988.274  172.037  1066.13  207.064 -77.85388 269.2071 
1 1 1  -32   14   38 o  1002.90  133.063   17.672   4.0754   18.679   5.1840   16.042   6.5943  997.118  172.266  853.522  237.857 143.5952 293.6863 
1 1 1  -32   14   40 o  804.179  161.196   12.267   3.9177   10.512   5.1291   14.726   6.0699  692.548  214.473  807.394  229.341 -114.8466 314.0000 
1 1 1  -32   14   42 o  1295.03  126.025   29.968   5.0456   27.815   6.2402   34.034   8.5749  1186.86  172.999  1218.66  233.211 -31.79358 290.3724 
1 1 1  -32   14   44 o  1349.30  118.351   32.679   4.9498   30.853   6.0523   36.367   8.6015  1252.18  157.870  1228.73  232.070 23.44690 280.6765 
1 1 1  -32   14   46 o  985.622  193.315   22.167   5.7530   22.167   5.7530   0.0000   0.0000  985.622  193.315  ?   ?  0.000000 193.3150 
1 1 1  -32   15    1 o  665.583  157.802   7.4874   3.2387   7.2669   4.7971   7.6722   4.3904  658.455  207.967  671.343  196.390 -12.88745 286.0407 
1 1 1  -32   15    3 o  348.333  149.356  -0.0102   2.9153  -2.8321   4.3898   2.2166   3.8994  365.939  168.022  463.446  182.634 -97.50696 248.1662 
1 1 1  -32   15    5 o  448.637  165.902   2.6552   3.0866   9.5970   4.5422  -3.3002   4.2072  748.775  192.627  348.517  161.610 400.2579 251.4414 
1 1 1  -32   15    7 o  526.904  174.366   4.3762   3.3488   13.570   7.0983   1.7440   3.7981  878.795  247.447  445.339  178.682 433.4563 305.2165 
1 1 1  -32   15    9 o  238.816  115.577  -4.2445   2.6515  -8.8039   3.9155  -0.3828   3.6035  260.478  128.940  376.716  163.798 -116.2377 208.4593 
1 1 1  -32   15   11 o  856.861  128.005   12.006   3.3291   13.383   4.7391   10.664   4.6777  890.863  176.133  789.728  191.206 101.1345 259.9662 
1 1 1  -32   15   13 o  1003.61  167.727   16.813   5.0849   18.844   7.7108   15.250   6.7641  1034.39  242.313  932.779  232.431 101.6094 335.7673 
1 1 1  -32   15   15 o  588.039  192.518   5.5967   4.0864   0.0000   0.0000   5.5967   4.0864  ?   ?   588.039  192.518 0.000000 192.5185 
1 1 1  -32   15   17 o  452.170  169.254   2.6414   3.2319   6.3178   6.7601   1.5521   3.6796  658.139  245.094  432.904  175.103 225.2351 301.2175 
1 1 1  -32   15   19 o  509.616  166.557   4.1658   3.0591   11.347   4.6710  -1.2278   4.0481  811.258  187.618  378.232  168.621 433.0266 252.2568 
1 1 1  -32   15   21 o  454.003  162.019   3.0024   2.9089  -0.2321   4.4957   5.3316   3.8151  420.261  182.844  569.596  185.994 -149.3345 260.8177 
1 1 1  -32   15   23 o  623.850  182.353   6.7023   3.7866   7.2996   4.8093   5.7280   6.1419  651.846  208.482  620.726  233.134 31.11969 312.7557 
1 1 1  -32   15   25 o  590.587  154.792   5.9934   2.8973   8.0724   4.1560   4.0278   4.0411  677.360  188.853  520.198  190.241 157.1622 268.0620 
1 1 1  -32   15   27 o  625.951  175.069   6.8770   3.5656   8.7331   4.3725   3.1932   6.1601  698.761  193.316  548.191  224.738 150.5698 296.4424 
1 1 1  -32   15   29 o  807.672  157.563   11.326   3.8417   10.222   4.7475   13.419   6.5388  747.926  199.166  836.685  238.165 -88.75879 310.4669 
1 1 1  -32   15   31 o  344.207  155.005  -1.1212   3.5158  -3.2924   5.2978   0.5877   4.6999  387.256  180.176  434.272  187.942 -47.01669 260.3567 
1 1 1  -32   15   33 o  620.263  164.093   6.9406   3.2363   8.0976   4.5195   5.7231   4.6363  655.828  201.034  570.532  204.446 85.29541 286.7273 
1 1 1  -32   15   35 o  319.249  142.613  -0.6272   2.9113   1.2765   3.8914  -3.0471   4.3874  412.724  174.601  345.215  161.712 67.50885 237.9839 
1 1 1  -32   15   37 o  924.630  124.429   14.729   3.5111   13.636   4.7240   16.078   5.2481  845.949  183.609  915.686  189.292 -69.73737 263.7117 
1 1 1  -32   15   39 o  599.823  191.154   7.2003   4.0459   8.2757   4.7679   4.4340   7.6469  630.742  208.022  545.635  237.909 85.10663 316.0280 
1 1 1  -32   15   41 o  530.253  177.816   5.5804   3.4801   7.4094   4.8326   3.6100   5.0158  586.390  208.877  478.652  200.102 107.7381 289.2581 
1 1 1  -32   15   43 o  491.332  190.013   4.8551   4.1570   4.7535   4.8498   5.1363   8.0708  492.003  200.290  522.060  234.997 -30.05704 308.7717 
1 1 1  -32   15   45 o  727.796  191.173   11.936   4.4129   4.3098   5.1993   31.583   8.3454  466.507  199.728  1097.98  248.525 -631.4779 318.8354 
1 1 1  -32   16    2 o  316.638  137.543  -0.2894   2.5360  -2.8664   4.1762   1.2160   3.1919  353.617  162.925  400.353  162.679 -46.73633 230.2369 
1 1 1  -32   16    4 o  472.979  162.008   3.3997   2.8895   1.7073   4.2850   4.8110   3.9129  463.028  188.355  554.490  188.536 -91.46170 266.5020 
1 1 1  -32   16    6 o  742.000  144.360   9.1756   3.2333   8.8413   4.7141   9.4725   4.4432  718.149  201.456  743.471  190.113 -25.32233 276.9969 
1 1 1  -32   16    8 o  337.794  150.722  -1.1328   3.2417  -7.0107   7.0581   0.4386   3.6493  426.647  201.480  400.079  169.158 26.56784 263.0753 
1 1 1  -32   16   10 o  1029.46  137.562   17.346   4.3234   15.549   8.4314   17.987   5.0359  931.175  272.085  1041.16  159.555 -109.9813 315.4172 
1 1 1  -32   16   12 o  709.181  174.278   8.5581   3.8424  -5.3912   6.7952   15.115   4.6588  435.761  203.181  951.485  162.187 -515.7244 259.9753 
1 1 1  -32   16   14 o  548.872  208.262   3.9189   4.9307   2.4662   7.1022   5.2706   6.8506  577.004  239.398  633.975  244.275 -56.97113 342.0255 
1 1 1  -32   16   16 o  1094.56  111.712   19.342   3.7751   24.639   5.4136   14.328   5.2669  1225.55  143.805  914.012  190.219 311.5334 238.4601 
1 1 1  -32   16   18 o  563.979  162.185   5.3530   3.0173   7.4247   4.7534   3.9550   3.9048  661.077  206.758  520.065  187.488 141.0123 279.1063 
1 1 1  -32   16   20 o  985.476  114.581   15.792   3.4697   15.739   4.8717   15.846   4.9429  964.535  167.372  967.054  169.409 -2.518066 238.1443 
1 1 1  -32   16   22 o  537.006  161.831   4.8449   2.9462   1.2587   4.4741   7.5903   3.9148  453.663  189.264  661.617  182.867 -207.9541 263.1754 
1 1 1  -32   16   24 o  1687.07   91.245   45.578   4.8022   37.706   6.7508   53.643   6.8327  1508.46  144.700  1815.76  120.866 -307.2939 188.5379 
1 1 1  -32   16   26 o  944.228  118.212   14.679   3.4185   10.890   4.8105   18.544   4.8587  780.011  196.927  1047.21  152.664 -267.2014 249.1717 
1 1 1  -32   16   28 o  506.418  168.229   4.2560   3.1162  -3.5911   4.5606   11.128   4.2678  353.872  165.482  793.687  176.311 -439.8143 241.8055 
1 1 1  -32   16   30 o  483.012  175.296   3.6090   3.4218   5.4655   5.7544   2.5934   4.2559  588.398  224.572  472.303  189.270 116.0952 293.6934 
1 1 1  -32   16   32 o  553.223  167.659   5.4233   3.1557   9.7748   4.4433   0.9945   4.4826  726.641  192.292  434.186  185.659 292.4544 267.2924 
1 1 1  -32   16   34 f  872.686  142.872   13.233   3.7690   15.145   5.3736   11.382   5.2878  897.882  196.579  764.815  212.945 133.0674 289.8083 
1 1 1  -32   16   36 o  479.515  170.591   3.9066   3.2224   4.4403   4.3852   3.2803   4.7510  516.629  196.315  489.859  198.679 26.76959 279.3078 
1 1 1  -32   16   38 o  728.423  183.521   10.254   4.1840   7.7070   4.9016   17.094   8.0318  618.505  211.010  850.444  269.151 -231.9389 342.0049 
1 1 1  -32   16   40 o  736.817  187.562   10.859   4.3385   9.0593   5.1446   15.291   8.0725  648.833  216.186  773.485  270.467 -124.6527 346.2497 
1 1 1  -32   16   42 o  527.401  195.053   5.6737   4.2668   6.7801   5.0059   2.7344   8.1593  560.642  210.490  504.200  230.607 56.44159 312.2269 
1 1 1  -32   17    1 o  756.894  145.635   9.5753   3.3263   4.3880   5.0719   13.490   4.4062  565.799  211.983  895.965  163.062 -330.1667 267.4433 
1 1 1  -32   17    3 o  732.912  151.182   9.0182   3.3543   13.781   5.2019   5.6279   4.3886  896.599  191.130  593.040  199.676 303.5587 276.4076 
1 1 1  -32   17    5 o  639.295  164.231   6.9230   3.3050   4.4244   4.5073   9.8286   4.8606  553.795  201.159  754.545  201.803 -200.7502 284.9372 
1 1 1  -32   17    7 f  543.857  186.813   4.5739   3.8430  -0.2346   6.6767   6.9562   4.6995  510.789  222.521  646.532  206.015 -135.7435 303.2452 
1 1 1  -32   17    9 o  605.890  185.085   6.1253   3.8347 -13.3149   6.8590   14.964   4.6250  356.560  175.393  946.431  161.882 -589.8718 238.6804 
1 1 1  -32   17   11 o  531.159  183.695   4.3203   3.7188   1.4004   6.7167   5.6110   4.4657  543.336  229.596  594.106  201.416 -50.76947 305.4223 
1 1 1  -32   17   13 o  859.789  134.420   12.177   3.5004   15.038   4.8871   9.1632   5.0160  944.565  171.552  728.616  208.994 215.9488 270.3863 
1 1 1  -32   17   15 o  842.578  150.661   11.858   3.8290   10.925   4.4046   14.743   7.7468  798.780  180.370  904.413  259.816 -105.6326 316.2873 
1 1 1  -32   17   17 o  417.923  162.908   1.9091   3.0743   4.2850   4.3124  -0.5461   4.3838  541.990  196.779  409.253  179.242 132.7370 266.1761 
1 1 1  -32   17   19 o  357.818  148.870   0.6350   2.7574   2.5262   3.8215  -1.4188   3.9825  467.280  181.774  369.998  165.931 97.28180 246.1194 
1 1 1  -32   17   21 o  628.572  176.613   6.7932   3.6201   3.7974   6.0725   8.4449   4.5089  570.382  226.913  695.584  197.691 -125.2020 300.9504 
1 1 1  -32   17   23 o  1010.93  137.163   16.951   4.2297   16.071   5.3727   18.386   6.8595  963.004  184.898  1011.77  222.566 -48.76868 289.3492 
1 1 1  -32   17   25 o  591.945  167.372   6.0491   3.2405   3.5759   4.6426   8.3989   4.5253  520.712  200.964  688.498  198.806 -167.7860 282.6840 
1 1 1  -32   17   27 o  868.001  132.037   12.606   3.4755   11.505   5.0447   13.601   4.7951  798.341  201.725  880.069  180.073 -81.72760 270.4058 
1 1 1  -32   17   29 o  1246.85  116.575   25.564   4.4985   15.375   7.1693   32.181   5.7774  891.642  247.845  1389.55  134.463 -497.9053 281.9709 
1 1 1  -32   17   31 f  1066.54  121.026   18.925   3.9702   18.076   5.6027   19.781   5.6269  1004.86  184.875  1058.14  176.010 -53.28302 255.2612 
1 1 1  -32   17   33 o  363.026  156.009   0.3542   3.1937  -1.2680   4.3573   2.2376   4.6948  379.511  171.577  470.922  194.950 -91.41150 259.7008 
1 1 1  -32   17   35 o  387.109  171.232  -0.1962   4.0938  -4.6346   4.8872   10.243   7.4951  345.898  164.608  706.295  258.965 -360.3967 306.8531 
1 1 1  -32   17   37 o  1199.78  141.434   25.102   5.2113   22.149   6.2832   31.612   9.3283  1081.79  192.546  1225.88  251.454 -144.0885 316.7066 
1 1 1  -32   17   39 o  591.625  194.453   6.8966   4.1675   4.4859   4.8095   14.162   8.3491  514.264  202.776  759.212  274.085 -244.9476 340.9409 
1 1 1  -32   17   41 o  420.336  176.327   2.0781   3.9150   4.5701   4.4413  -6.6069   8.2913  501.747  195.744  417.092  202.462 84.65457 281.6147 
1 1 1  -32   18    2 o  955.249  124.656   14.880   3.6397   10.016   5.4976   18.675   4.8565  759.441  219.077  1063.28  150.035 -303.8436 265.5287 
1 1 1  -32   18    4 f  387.413  167.572  -0.1832   3.7323 -21.2248   8.4038   4.9868   4.1656  360.379  180.085  565.749  194.489 -205.3702 265.0595 
1 1 1  -32   18    6 o  1297.30  133.215   27.355   5.3346   28.155   9.9134   27.029   6.3291  1256.55  260.508  1278.62  161.696 -22.07129 306.6110 
1 1 1  -32   18    8 o  649.795  208.371   7.0201   4.8018   7.0531   8.3702   7.0039   5.8624  707.841  270.683  663.133  230.565 44.70831 355.5692 
1 1 1  -32   18   10 o  403.337  159.684   1.5703   2.9939  -0.5896   4.0408   4.1989   4.4578  393.139  172.137  544.969  199.731 -151.8298 263.6732 
1 1 1  -32   18   12 o  329.397  144.495  -0.5467   2.8589  -5.9628   3.7955   6.5560   4.3465  285.251  138.108  627.237  197.943 -341.9854 241.3612 
1 1 1  -32   18   14 o  1262.11  106.120   25.586   4.1549   26.139   5.7692   24.990   5.9888  1260.72  149.027  1228.16  159.493 32.56543 218.2821 
1 1 1  -32   18   16 o  454.226  180.480   2.0593   3.8372   4.9531   4.4208  -6.7821   7.7273  567.968  200.049  452.318  212.752 115.6503 292.0326 
1 1 1  -32   18   18 o  1048.15  120.822   17.885   3.8928   19.728   5.3212   15.763   5.7097  1086.19  161.358  954.058  197.627 132.1309 255.1334 
1 1 1  -32   18   20 o  487.575  170.211   3.6184   3.1965   1.3143   4.3270   6.3863   4.7426  450.569  186.893  621.042  207.581 -170.4737 279.3181 
1 1 1  -32   18   22 o  570.997  177.658   5.4891   3.5147   4.4202   4.2992   7.6432   6.1031  542.822  196.569  675.837  235.236 -133.0156 306.5540 
1 1 1  -32   18   24 o  265.500  126.870  -3.7672   2.9665  -6.1414   3.8601  -0.3420   4.6364  284.456  138.094  421.246  184.418 -136.7900 230.3903 
1 1 1  -32   18   26 o  500.467  170.434   4.0208   3.1977   3.9160   4.3674   4.1418   4.6947  523.359  196.586  538.523  203.487 -15.16431 282.9361 
1 1 1  -32   18   28 o  311.048  144.796  -2.6811   3.4288  -8.0897   5.4087   0.9529   4.4335  336.299  163.308  438.772  186.034 -102.4731 247.5442 
1 1 1  -32   18   30 f  866.731  207.530   13.817   5.5577   9.0197   8.2734   17.763   7.5025  710.950  269.771  957.230  248.223 -246.2799 366.5933 
1 1 1  -32   18   32 o  416.975  175.960   1.0666   3.9364  -2.3481   4.7983   8.0949   6.8839  381.606  175.382  668.819  247.672 -287.2125 303.4804 
1 1 1  -32   18   34 o  375.591  165.685  -0.2677   3.8073   1.2311   4.2898  -5.8291   8.2633  431.294  182.936  454.916  215.770 -23.62225 282.8817 
1 1 1  -32   18   36 o  662.171  197.480   8.3759   4.4040   5.5905   4.9552   18.848   9.6083  564.290  209.900  896.981  295.279 -332.6904 362.2811 
1 1 1  -32   18   38 o  340.094  157.921  -2.2429   4.0379  -4.1152   4.4816   5.8321   9.3070  331.129  157.594  607.751  263.745 -276.6222 307.2414 
1 1 1  -32   19    1 o  400.863  167.554   0.7215   3.5160  -0.9192   4.9662   2.3705   4.9786  429.212  189.289  506.459  204.090 -77.24658 278.3583 
1 1 1  -32   19    3 o  345.310  162.628  -4.5574   4.5417  -4.6412   8.4019  -4.5228   5.3983  504.715  232.004  387.413  180.792 117.3015 294.1282 
1 1 1  -32   19    5 o  603.782  198.145   5.9212   4.3278   2.5587   8.7884   6.9977   4.9725  626.898  263.643  651.167  212.329 -24.26813 338.5130 
1 1 1  -32   19    7 o  546.463  177.005   4.8148   3.4584   7.2538   4.8126   2.2103   4.9732  658.762  208.327  502.713  203.488 156.0484 291.2172 
1 1 1  -32   19    9 o  300.389  139.149  -2.4587   3.1073  -5.5476   4.3247   0.8376   4.4676  319.974  152.979  447.523  188.078 -127.5494 242.4373 
1 1 1  -32   19   11 o  730.652  170.837   9.0740   3.8386   9.3502   4.9761   8.6681   6.0323  736.395  207.121  717.258  233.861 19.13745 312.3940 
1 1 1  -32   19   13 o  464.913  166.627   3.0915   3.0798  -1.8783   4.3147   8.2541   4.3976  379.262  171.167  693.951  194.544 -314.6887 259.1246 
1 1 1  -32   19   15 o  553.817  175.320   5.0308   3.4077   2.7517   4.4872   8.1360   5.2378  499.439  196.204  691.541  217.159 -192.1025 292.6671 
1 1 1  -32   19   17 o  409.717  173.465   0.5075   3.8458   0.2330   4.2028   1.9204   9.5350  419.235  179.532  630.362  270.193 -211.1269 324.4008 
1 1 1  -32   19   19 o  333.768  150.111  -1.3480   3.2848  -1.9473   4.5104  -0.6713   4.7934  386.045  174.546  424.569  186.651 -38.52383 255.5480 
1 1 1  -32   19   21 o  608.536  210.292   5.9818   4.8732   5.9818   4.8732   0.0000   0.0000  608.536  210.292  ?   ?  0.000000 210.2920 
1 1 1  -32   19   23 o  778.743  187.238   10.593   4.5095   15.278   5.2366  -2.8546   8.8711  939.892  184.518  533.744  242.695 406.1486 304.8732 
1 1 1  -32   19   25 o  472.923  184.147   2.6966   3.9249   2.5018   4.4723   3.3491   8.1869  485.330  194.188  608.969  255.196 -123.6391 320.6772 
1 1 1  -32   19   27 o  542.343  206.759   4.1355   4.8742   5.6755   5.9977   1.1399   8.3649  609.826  230.102  570.369  248.756 39.45703 338.8607 
1 1 1  -32   19   29 o  405.259  175.786   0.0938   4.1304   0.2978   4.6305  -0.7007   9.1377  431.007  186.539  557.870  250.682 -126.8622 312.4715 
1 1 1  -32   19   31 o  604.478  199.480   6.4293   4.3841   3.6642   5.0328   15.129   8.9271  525.744  207.390  860.937  284.678 -335.1931 352.2104 
1 1 1  -32   19   33 o  494.163  188.345   3.5635   4.0441   4.6576   4.5291  -0.7400   8.9824  540.007  200.710  540.190  245.081 -0.1826782 316.7796 
1 1 1  -32   19   35 o  621.566  194.086   7.1546   4.1905   6.6350   4.7155   9.1057   9.1384  602.528  206.940  693.702  277.574 -91.17438 346.2248 
1 1 1  -32   19   37 o  318.736  150.217  -3.2377   3.8873  -1.2390   4.3007 -12.1604   9.0869  372.871  169.329  415.583  203.912 -42.71188 265.0516 
1 1 1  -32   20    2 o  368.450  169.288  -2.9040   4.4664  -5.1074   9.0256  -2.1895   5.1399  520.529  239.712  413.514  186.705 107.0153 303.8434 
1 1 1  -32   20    4 o  425.455  167.349   1.8413   3.2683   2.4364   4.1309   0.8454   5.3440  478.983  188.225  483.698  204.617 -4.714966 278.0233 
1 1 1  -32   20    6 o  750.603  162.718   9.4997   3.7141   10.574   4.6442   7.5928   6.1866  785.561  190.718  687.165  236.971 98.39594 304.1854 
1 1 1  -32   20    8 o  803.429  149.625   10.754   3.6257   3.9036   4.7011   20.810   5.6958  543.048  203.963  1118.42  167.822 -575.3673 264.1306 
1 1 1  -32   20   10 o  885.675  191.786   13.417   5.1647   21.578   9.5706   10.064   6.1346  1090.23  279.147  764.228  234.208 325.9986 364.3854 
1 1 1  -32   20   12 o  457.038  188.859   1.3239   4.3944   0.8172   4.7433   4.3933   11.674  458.599  193.320  724.736  304.272 -266.1371 360.4916 
1 1 1  -32   20   14 f  562.739  190.667   4.9927   4.0018   6.2051   4.3259  -2.2003   10.537  613.877  197.874  601.510  269.819 12.36670 334.5990 
1 1 1  -32   20   16 o  535.865  205.103   3.6296   4.8085   3.6296   4.8085   0.0000   0.0000  535.865  205.103  ?   ?  0.000000 205.1033 
1 1 1  -32   20   18 o  796.710  193.832   10.992   4.7894   11.208   5.2794   9.9864   11.384  800.828  208.495  808.793  313.979 -7.964783 376.8990 
1 1 1  -32   20   20 o  349.817  164.119  -4.1849   4.5487  -4.1849   4.5487   0.0000   0.0000  349.817  164.119  ?   ?  0.000000 164.1192 
1 1 1  -32   20   22 o  551.170  200.473   4.5021   4.4787   5.8591   4.9706  -1.3542   10.326  606.040  212.216  597.737  267.688 8.303772 341.6030 
1 1 1  -32   20   24 o  735.408  190.013   9.4666   4.4068   7.4841   4.8784   18.257   10.273  659.137  209.887  970.326  304.026 -311.1888 369.4378 
1 1 1  -32   20   26 o  609.003  190.228   6.3639   4.0252   4.9931   4.5248   11.563   8.8122  564.745  202.015  797.787  282.286 -233.0421 347.1247 
1 1 1  -32   20   28 o  425.054  178.796   0.9641   4.0434   1.7339   4.4603  -2.5859   9.5780  461.672  190.478  549.851  250.853 -88.17908 314.9746 
1 1 1  -32   20   30 o  496.352  195.674   3.0472   4.4776   4.0421   5.0343  -0.7197   9.7962  539.970  209.026  573.625  258.490 -33.65472 332.4287 
1 1 1  -32   20   32 o  513.252  196.472   3.7776   4.4126   1.4433   4.8798   14.248   10.335  463.543  195.778  831.562  304.211 -368.0188 361.7639 
1 1 1  -32   20   34 o  374.123  167.748  -0.9569   4.0681  -3.9145   4.4489   14.133   10.049  340.017  160.385  813.437  299.615 -473.4193 339.8412 
1 1 1  -32   21    1 o  436.218  191.796  -0.8400   5.0627  -0.8400   5.0627   0.0000   0.0000  436.218  191.796  ?   ?  0.000000 191.7961 
1 1 1  -32   21    3 o  604.237  206.176   5.7428   4.6796   3.6879   4.9448   23.367   14.482  544.216  208.065  1108.92  362.389 -564.7064 417.8716 
1 1 1  -32   21    5 o  418.189  184.779  -1.0602   4.7545  -1.0602   4.7545   0.0000   0.0000  418.189  184.779  ?   ?  0.000000 184.7791 
1 1 1  -32   21    7 o  405.225  178.897  -0.9869   4.4472  -1.3334   4.6626   2.5057   14.803  408.304  181.569  766.269  332.579 -357.9648 378.9140 
1 1 1  -32   21    9 o  548.922  196.261   4.4085   4.2703   3.0712   4.4899   17.082   13.822  511.543  197.574  982.226  352.894 -470.6833 404.4374 
1 1 1  -32   21   11 o  641.360  258.064   4.3224   7.9471   7.9521   9.7271  -2.9642   13.782  754.333  290.957  678.736  306.158 75.59692 422.3603 
1 1 1  -32   21   13 o  274.913  133.791  -6.2978   3.6833  -7.2792   3.8336   5.4846   13.284  271.786  133.171  774.275  324.799 -502.4886 351.0400 
1 1 1  -32   21   15 o  688.421  206.609   8.0644   4.8094   6.6628   5.1570   17.423   13.325  641.916  216.450  979.591  347.071 -337.6754 409.0342 
1 1 1  -32   21   17 o  358.498  165.541  -3.0914   4.3467  -5.1397   4.6371   11.742   12.479  341.468  161.865  859.951  330.109 -518.4825 367.6576 
1 1 1  -32   21   19 o  808.149  219.232   11.464   5.6884   11.464   5.6884   0.0000   0.0000  808.149  219.232  ?   ?  0.000000 219.2316 
1 1 1  -32   21   21 o  592.248  199.335   5.6797   4.3736   6.3942   4.7071   1.1664   11.830  622.732  206.755  672.063  294.395 -49.33038 359.7444 
1 1 1  -32   21   23 o  886.153  182.004   13.513   4.8811   13.237   5.3680   14.832   11.730  869.428  201.171  898.831  324.811 -29.40308 382.0628 
1 1 1  -32   21   25 o  1088.81  162.216   19.971   5.3616   19.576   6.0360   21.450   11.673  1065.59  187.760  1038.07  323.902 27.52332 374.3880 
1 1 1  -32   21   27 o  488.634  191.797   2.8240   4.2845   5.5464   4.6717 -11.5895   10.749  586.102  205.707  495.615  238.069 90.48727 314.6306 
1 1 1  -32   21   29 o  684.934  208.889   8.3680   4.8873   8.6181   5.4558   7.3523   10.997  694.290  222.052  725.136  299.122 -30.84631 372.5331 
1 1 1  -32   21   31 o  404.883  180.108  -0.8221   4.5916   0.0434   5.1051  -4.4869   10.505  443.577  193.872  545.897  253.894 -102.3200 319.4503 
1 1 1  -32   22    2 o  401.311  179.811  -1.7084   4.6653  -0.2881   4.9465 -13.1476   14.038  443.410  192.352  591.711  280.822 -148.3007 340.3823 
1 1 1  -32   22    4 o  422.329  187.736  -1.3953   4.9802  -2.9148   5.3309   9.0278   13.962  410.938  187.350  846.161  341.497 -435.2225 389.5130 
1 1 1  -32   22    6 o  788.586  214.926   10.703   5.4522   7.0788   5.7930   38.811   16.134  668.050  229.371  1426.05  360.979 -757.9944 427.6880 
1 1 1  -32   22    8 o  607.845  226.630   5.0737   5.7832   5.0737   5.7832   0.0000   0.0000  607.845  226.630  ?   ?  0.000000 226.6295 
1 1 1  -32   22   10 o  341.956  163.077  -5.9881   4.8505  -1.8129   5.1381 -40.1749   14.703  421.483  188.786  457.208  229.815 -35.72464 297.4138 
1 1 1  -32   22   14 o  772.019  218.156   10.286   5.5071   9.3063   5.9320   16.402   14.818  739.612  230.915  974.933  362.910 -235.3209 430.1454 
1 1 1  -32   22   16 o  546.636  199.105   4.2542   4.4201   6.4678   4.6527 -16.2418   14.157  628.802  205.402  568.128  272.984 60.67377 341.6287 
1 1 1  -32   22   18 o  544.115  201.177   4.1103   4.5384   4.1103   4.5384   0.0000   0.0000  544.115  201.177  ?   ?  0.000000 201.1769 
1 1 1  -32   22   20 o  468.180  190.479   1.7946   4.3831   3.2908   4.6719  -9.1948   12.661  521.391  201.494  581.758  273.218 -60.36737 339.4813 
1 1 1  -32   22   22 o  610.698  210.833   5.9602   4.8977   5.5128   5.3463   8.2956   12.215  604.451  219.156  787.797  318.898 -183.3467 386.9431 
1 1 1  -32   22   24 o  835.089  196.810   12.177   5.0621   14.030   5.4650   0.9854   13.432  896.320  199.819  699.397  309.728 196.9232 368.5908 
1 1 1  -32   22   26 o  440.575  190.519   0.1186   4.8220  -0.2354   5.3210   1.7449   11.405  453.323  198.035  661.357  289.397 -208.0342 350.6685 
1 1 1  -32   23    3 o  298.121  143.030  -5.3269   3.8541  -6.0104   3.9666   6.2067   16.295  295.227  142.498  845.971  357.555 -550.7441 384.9043 
1 1 1  -32   23    5 o  358.202  166.382  -3.6459   4.4876  -5.6417   4.7068   16.295   14.878  339.698  161.624  983.551  364.133 -643.8531 398.3907 
1 1 1  -32   23    7 o  674.637  216.531   7.4924   5.1843   5.0644   5.5045   26.560   15.426  601.857  221.737  1182.90  372.859 -581.0392 433.8104 
1 1 1  -32   23    9 o  493.147  199.039   2.0732   4.7433   3.6913   4.9912 -13.0117   15.240  547.352  209.092  625.585  295.618 -78.23236 362.0906 
1 1 1  -32   23   11 o  563.827  221.684   3.4928   5.7328   4.6799   6.1888  -3.6839   15.217  607.680  232.665  708.951  320.568 -101.2707 396.1021 
1 1 1  -32   23   13 o  573.922  275.767 -16.9895   14.447   0.0000   0.0000 -16.9895   14.447  ?   ?   573.922  275.767 0.000000 275.7675 
1 1 1  -32   23   15 o  677.894  232.853   7.3411   5.9705   5.7879   6.5250   15.333   14.801  643.531  240.569  958.484  361.517 -314.9521 434.2436 
1 1 1  -32   23   17 o  455.379  199.069  -0.5734   5.3848  -0.9799   5.8385   1.7419   13.933  466.120  205.420  737.037  321.258 -270.9178 381.3192 
1 1 1  -32   23   19 o  606.526  230.442   4.9174   6.0419   1.3276   6.7310   19.804   13.707  542.683  229.609  1028.27  352.839 -485.5826 420.9701 
1 1 1  -32   23   21 o  398.345  180.391  -2.2012   4.8395  -1.3494   5.2083  -7.5863   13.095  430.902  191.745  608.474  283.156 -177.5726 341.9703 
1 1 1  -31    0    1 o  1598.40  169.277   42.280   8.2549   42.280   8.2549   42.280   8.2549  1598.40  169.277  1598.40  169.277 -0.000000 0.000000 
1 1 1  -31    0    3 o  238.262  155.333  -0.2027   2.8194  -0.2027   2.8194  -0.2027   2.8194  238.262  155.333  238.262  155.333 -0.000000 0.000000 
1 1 1  -31    0    5 o  800.886  170.756   11.503   3.7629   11.503   3.7629   11.503   3.7629  800.886  170.756  800.886  170.756 -0.000000 0.000000 
1 1 1  -31    0    7 o  409.935  208.364   4.0099   3.3499   4.0099   3.3499   4.0099   3.3499  409.935  208.364  409.935  208.364 -0.000000 0.000000 
1 1 1  -31    0    9 o  511.384  209.028   5.8693   3.2965   5.8693   3.2965   5.8693   3.2965  511.384  209.028  511.384  209.028 -0.000000 0.000000 
1 1 1  -31    0   11 o  1674.61  122.715   45.167   6.3553   45.167   6.3553   45.167   6.3553  1674.61  122.715  1674.61  122.715 -0.000000 0.000000 
1 1 1  -31    0   13 o  237.876  154.496  -0.1100   2.7528  -0.1100   2.7528  -0.1100   2.7528  237.876  154.496  237.876  154.496 -0.000000 0.000000 
1 1 1  -31    0   15 o  679.184  194.073   8.9583   3.5773   8.9583   3.5773   8.9583   3.5773  679.184  194.073  679.184  194.073 -0.000000 0.000000 
1 1 1  -31    0   17 o  462.390  214.067   5.0453   3.4232   5.0453   3.4232   5.0453   3.4232  462.390  214.067  462.390  214.067 -0.000000 0.000000 
1 1 1  -31    0   19 o  486.950  216.770   5.5246   3.5015   5.5246   3.5015   5.5246   3.5015  486.950  216.770  486.950  216.770 -0.000000 0.000000 
1 1 1  -31    0   21 o  296.025  178.316   1.4547   3.0028   1.4547   3.0028   1.4547   3.0028  296.025  178.316  296.025  178.316 -0.000000 0.000000 
1 1 1  -31    0   23 o  328.298  193.026   2.0805   3.3628   2.0805   3.3628   2.0805   3.3628  328.298  193.026  328.298  193.026 -0.000000 0.000000 
1 1 1  -31    0   25 o  268.130  180.208  -1.5569   4.2950  -1.5569   4.2950  -1.5569   4.2950  268.130  180.208  268.130  180.208 -0.000000 0.000000 
1 1 1  -31    0   27 o  2919.36  193.549  139.591   17.514  139.591   17.514  139.591   17.514  2919.36  193.549  2919.36  193.549 -0.000000 0.000000 
1 1 1  -31    0   29 o  2817.56  190.551  129.984   16.635  129.984   16.635  129.984   16.635  2817.56  190.551  2817.56  190.551 -0.000000 0.000000 
1 1 1  -31    0   31 o  959.050  221.671   16.993   5.7927   16.993   5.7927   16.993   5.7927  959.050  221.671  959.050  221.671 -0.000000 0.000000 
1 1 1  -31    0   33 o  3271.56  205.448  175.819   20.856  175.819   20.856  175.819   20.856  3271.56  205.448  3271.56  205.448 -0.000000 0.000000 
1 1 1  -31    0   35 o  1960.74  182.010   63.485   10.953   63.485   10.953   63.485   10.953  1960.74  182.010  1960.74  182.010 -0.000000 0.000000 
1 1 1  -31    0   37 o  1551.92  123.984   38.968   5.9365   38.968   5.9365   38.968   5.9365  1551.92  123.984  1551.92  123.984 -0.000000 0.000000 
1 1 1  -31    0   39 o  807.335  203.314   12.290   4.4451   12.290   4.4451   12.290   4.4451  807.335  203.314  807.335  203.314 -0.000000 0.000000 
1 1 1  -31    0   41 o  1184.05  220.816   25.194   7.3517   25.194   7.3517   25.194   7.3517  1184.05  220.816  1184.05  220.816 -0.000000 0.000000 
1 1 1  -31    0   43 o  325.868  192.404   2.1202   3.3662   2.1202   3.3662   2.1202   3.3662  325.868  192.404  325.868  192.404 -0.000000 0.000000 
1 1 1  -31    0   45 o  1881.10  126.224   57.632   7.3580   57.632   7.3580   57.632   7.3580  1881.10  126.224  1881.10  126.224 -0.000000 0.000000 
1 1 1  -31    0   47 o  969.576  158.056   16.437   4.4157   16.437   4.4157   16.437   4.4157  969.576  158.056  969.576  158.056 -0.000000 0.000000 
1 1 1  -31    0   49 o  2131.15  180.245   77.284   11.830   77.284   11.830   77.284   11.830  2131.15  180.245  2131.15  180.245 -0.000000 0.000000 
1 1 1  -31    0   51 o  1396.88  195.529   34.636   8.0724   34.636   8.0724   34.636   8.0724  1396.88  195.529  1396.88  195.529 -0.000000 0.000000 
1 1 1  -31    0   53 o  453.101  252.403   5.4344   5.3181   5.4344   5.3181   5.4344   5.3181  453.101  252.403  453.101  252.403 -0.000000 0.000000 
1 1 1  -31    0   55 o  231.649  162.771  -4.2231   4.5543  -4.2231   4.5543  -4.2231   4.5543  231.649  162.771  231.649  162.771 -0.000000 0.000000 
1 1 1  -31    1    2 o  397.914  147.282   2.0686   2.4338  -0.6880   3.1849   5.9375   3.7731  344.635  151.809  596.351  183.832 -251.7159 238.4118 
1 1 1  -31    1    4 o  867.265  102.759   12.146   2.7363   11.075   3.7760   13.330   3.9707  812.740  154.014  896.038  146.593 -83.29810 212.6256 
1 1 1  -31    1    6 o  1094.70   91.625   19.159   3.1118   14.913   4.2932   23.859   4.5168  947.736  149.636  1213.94  120.416 -266.1989 192.0699 
1 1 1  -31    1    8 o  282.079  121.907  -0.1652   1.9719  -1.6352   2.6961   1.5258   2.8916  291.193  132.942  396.401  156.935 -105.2086 205.6748 
1 1 1  -31    1   10 o  837.596  101.613   11.338   2.6105   10.547   3.7872   12.054   3.6032  790.796  158.468  852.880  139.764 -62.08350 211.2957 
1 1 1  -31    1   12 o  496.365  139.700   4.1073   2.2630   8.2451   3.1109  -0.5435   3.2981  700.184  146.592  354.338  155.322 345.8457 213.5753 
1 1 1  -31    1   14 o  602.294  132.501   6.0792   2.4310   10.835   3.2974   0.4172   3.5981  808.476  135.016  395.032  167.546 413.4446 215.1769 
1 1 1  -31    1   16 o  1206.95   88.664   23.271   3.3274   22.100   4.6283   24.524   4.7870  1163.05  129.275  1226.90  126.417 -63.84399 180.8128 
1 1 1  -31    1   18 o  2598.35   88.927  107.383   7.2351  101.194   10.241  113.552   10.224  2496.20  131.480  2653.00  123.069 -156.8059 180.0913 
1 1 1  -31    1   20 o  1368.31   85.349   29.874   3.6386   27.632   5.1991   32.027   5.0939  1299.92  129.453  1405.69  116.788 -105.7638 174.3488 
1 1 1  -31    1   22 o  979.308   98.985   15.491   2.9937   19.083   4.2694   12.017   4.1988  1077.18  129.154  838.009  165.885 239.1751 210.2348 
1 1 1  -31    1   24 o  2933.81  108.579  138.593   9.9746  143.604   17.641  136.238   12.093  2892.66  195.925  2888.21  133.719 4.450928 237.2073 
1 1 1  -31    1   26 o  2228.94  123.314   81.072   8.5731   74.767   12.257   87.112   11.996  2083.52  189.959  2270.14  169.990 -186.6094 254.9135 
1 1 1  -31    1   28 o  2349.62  125.451   90.476   9.1964   86.335   13.121   94.475   12.893  2232.69  189.474  2350.87  176.437 -118.1831 258.9021 
1 1 1  -31    1   30 o  2737.16  131.431  123.469   11.265  126.305   15.988  120.673   15.874  2690.13  191.045  2624.31  194.559 65.81934 272.6746 
1 1 1  -31    1   32 o  542.133  182.202   4.9929   3.6540  -0.4304   5.2277   10.174   5.1095  435.995  193.146  740.596  210.432 -304.6016 285.6345 
1 1 1  -31    1   34 o  3337.77  146.949  188.010   15.358  172.311   21.573  204.145   21.870  3039.93  228.303  3351.92  209.417 -311.9905 309.8028 
1 1 1  -31    1   36 o  1350.87   88.722   29.606   3.7320   30.033   5.2319   29.163   5.3250  1337.08  126.466  1314.10  131.164 22.97827 182.2023 
1 1 1  -31    1   38 o  1183.95   94.198   23.025   3.4633   23.433   4.9212   22.624   4.8747  1164.74  137.591  1143.14  139.051 21.59985 195.6179 
1 1 1  -31    1   40 o  3222.36  120.174  177.258   12.126  192.911   21.078  169.515   14.824  3072.07  220.588  3066.09  154.908 5.988281 269.5470 
1 1 1  -31    1   42 o  2791.37  113.555  135.056   9.9252  127.219   12.194  150.441   17.085  2616.04  149.482  2663.33  206.479 -47.29541 254.9088 
1 1 1  -31    1   44 f  820.739  125.959   12.507   3.1337   9.0884   4.5976   15.472   4.2825  608.162  204.377  871.143  162.988 -262.9807 261.4098 
1 1 1  -31    1   46 f  811.442  131.040   12.885   3.2160   14.338   4.7545   11.659   4.3666  756.367  198.316  679.782  194.998 76.58569 278.1249 
1 1 1  -31    1   48 o  1228.35  120.123   29.657   4.5611   32.570   8.0802   28.295   5.5257  943.942  263.381  1111.86  163.605 -167.9225 310.0582 
1 1 1  -31    1   50 o  1220.10  150.038   34.581   5.6113   27.788   8.0340   41.051   7.8407  701.582  265.930  1101.56  234.510 -399.9730 354.5612 
1 1 1  -31    1   52 o  613.482  196.494   13.544   4.2710   6.6011   5.9524   20.912   6.1317  372.217  178.359  632.104  233.814 -259.8875 294.0765 
1 1 1  -31    1   54 o  1414.47  176.754   63.039   7.6577   54.094   10.786   72.128   10.873  576.550  264.228  855.028  312.151 -278.4781 408.9681 
1 1 1  -31    1   56 o  1105.09  151.455   36.990   5.1029   36.627   6.4116   37.618   8.4284  763.196  240.361  462.651  218.993 300.5450 325.1639 
1 1 1  -31    2    1 o  589.857  131.663   5.8182   2.3702   2.8379   3.3072   8.9653   3.3985  461.875  171.544  729.493  153.637 -267.6185 230.2853 
1 1 1  -31    2    3 o  758.880  121.171   9.4524   2.7825   10.263   3.4951   8.0495   4.5979  783.584  147.870  685.559  201.099 98.02545 249.6119 
1 1 1  -31    2    5 o  462.257  142.421   3.4730   2.2650   1.1434   3.3882   5.3551   3.0456  407.059  166.753  565.138  163.067 -158.0793 233.2329 
1 1 1  -31    2    7 o  959.924   97.417   14.804   2.8876   17.578   4.1643   12.234   4.0075  1036.96  131.187  854.677  155.471 182.2790 203.4245 
1 1 1  -31    2    9 o  212.672  101.191  -2.3017   1.8454  -2.1251   2.4967  -2.5144   2.7399  266.447  123.875  274.981  128.483 -8.533875 178.4739 
1 1 1  -31    2   11 o  1692.36   81.649   45.371   4.3267   47.138   6.0577   43.531   6.1820  1712.15  113.638  1642.13  121.082 70.01831 166.0555 
1 1 1  -31    2   13 o  629.203  126.582   6.5905   2.4075   8.1806   3.3441   4.8794   3.4689  694.549  157.403  547.332  177.272 147.2171 237.0674 
1 1 1  -31    2   15 o  336.945  134.397   1.0045   2.1354   1.4919   2.9058   0.4324   3.1484  395.149  157.042  372.697  157.325 22.45221 222.2913 
1 1 1  -31    2   17 o  718.310  121.346   8.5180   2.6321   10.778   3.6823   6.1566   3.7638  799.955  152.574  603.192  183.167 196.7627 238.3884 
1 1 1  -31    2   19 f  368.492  139.721   1.6480   2.2182   9.0661   3.5056  -3.3055   2.8647  729.843  157.980  267.561  126.946 462.2819 202.6647 
1 1 1  -31    2   21 o  223.892  105.496  -2.0330   1.9154   0.0349   2.8082  -3.8318   2.6192  341.040  146.419  241.871  116.510 99.16934 187.1178 
1 1 1  -31    2   23 o  2079.96   84.633   68.856   5.5120   74.835   7.8919   63.161   7.7019  2149.16  117.720  1969.35  125.553 179.8113 172.1097 
1 1 1  -31    2   25 o  1321.23  102.111   28.192   4.1916   30.997   5.1776   22.857   7.1404  1377.35  121.290  1135.60  208.489 241.7466 241.2026 
1 1 1  -31    2   27 o  673.311  167.398   7.9085   3.5142   1.8934   5.4897   12.085   4.5743  500.411  209.281  829.217  181.233 -328.8061 276.8469 
1 1 1  -31    2   29 o  1551.69  120.795   39.497   5.8228   38.463   8.1671   40.567   8.3041  1492.41  178.298  1534.88  175.962 -42.46777 250.5047 
1 1 1  -31    2   31 o  608.388  182.573   6.5496   3.7556   6.7550   5.4186   6.3597   5.2101  625.412  221.348  610.693  216.950 14.71997 309.9395 
1 1 1  -31    2   33 o  1501.49  126.743   37.449   5.9032   37.620   8.0510   37.249   8.6814  1464.58  179.302  1441.46  197.536 23.11865 266.7765 
1 1 1  -31    2   35 o  2100.66  100.425   71.742   6.6056   63.092   11.204   76.350   8.1781  1871.98  193.959  2145.17  122.257 -273.1926 229.2749 
1 1 1  -31    2   37 o  1600.43   85.136   41.501   4.2511   38.911   5.9435   44.214   6.0828  1519.51  126.056  1625.24  120.385 -105.7323 174.3060 
1 1 1  -31    2   39 o  946.208  105.322   15.018   3.0675   17.260   4.5640   13.171   4.1428  980.940  153.632  848.969  161.750 131.9713 223.0826 
1 1 1  -31    2   41 f  1032.89   99.268   18.024   3.1710   19.501   4.6570   16.747   4.3299  1030.99  148.541  953.222  150.024 77.77368 211.1202 
1 1 1  -31    2   43 o  498.892  168.934   5.1136   3.1415   8.2062   3.8432  -1.1135   5.4534  613.886  184.795  384.319  180.113 229.5674 258.0498 
1 1 1  -31    2   45 o  915.482  115.820   15.424   3.2458   18.134   4.5332   12.573   4.6495  934.145  160.779  717.032  199.695 217.1136 256.3749 
1 1 1  -31    2   47 o  1397.55  111.855   36.656   4.8538   28.661   8.7440   40.217   5.8355  820.955  281.804  1417.07  133.072 -596.1157 311.6436 
1 1 1  -31    2   49 o  792.020  157.456   14.580   3.7674   14.297   6.7144   14.710   4.5513  544.271  229.750  716.036  196.875 -171.7650 302.5637 
1 1 1  -31    2   51 o  552.823  174.846   9.1142   3.3899   8.4993   5.5648   9.4771   4.2746  424.837  192.806  498.551  192.716 -73.71423 272.6054 
1 1 1  -31    2   53 o  1808.57  125.445   75.127   7.0601   70.641   8.7251   83.635   12.016  1471.50  194.099  1004.75  330.182 466.7427 383.0069 
1 1 1  -31    2   55 o  1591.03  128.904   64.028   6.3667   68.769   7.8187   54.696   10.969  1426.72  178.953  495.794  238.730 930.9235 298.3553 
1 1 1  -31    3    2 o  583.133  132.960   5.6901   2.3739   9.6596   3.3159   1.5169   3.4000  760.703  144.495  419.445  168.788 341.2582 222.1893 
1 1 1  -31    3    4 f  668.963  138.777   7.4803   2.8117   9.9247   3.6343   3.8359   4.4375  767.899  156.456  531.852  198.475 236.0475 252.7272 
1 1 1  -31    3    6 o  419.440  144.781   2.6224   2.3096   1.2464   3.3528   3.8648   3.1860  408.700  166.474  499.921  170.123 -91.22055 238.0236 
1 1 1  -31    3    8 o  513.186  134.186   4.4038   2.1806   3.5419   3.1465   5.2003   3.0248  485.186  168.905  557.657  162.974 -72.47104 234.7109 
1 1 1  -31    3   10 o  781.062  112.990   9.9491   2.6831   14.784   3.7330   4.7826   3.8590  950.314  128.768  550.974  187.233 399.3397 227.2389 
1 1 1  -31    3   12 o  1272.33   86.379   25.793   3.4209   27.538   4.9217   24.162   4.7583  1303.93  121.960  1219.15  126.487 84.78125 175.7075 
1 1 1  -31    3   14 o  1166.99  100.342   21.864   3.6310   30.069   6.6432   18.368   4.3359  1346.30  160.766  1058.47  133.813 287.8341 209.1685 
1 1 1  -31    3   16 o  574.605  133.769   5.5466   2.3618   6.1604   3.4988   5.0329   3.2012  602.553  175.048  550.080  169.286 52.47321 243.5146 
1 1 1  -31    3   18 f  335.212  135.152   0.8997   2.1845   1.5535   3.5244   0.4917   2.7837  424.296  171.458  354.486  148.693 69.81003 226.9525 
1 1 1  -31    3   20 o  1136.41   88.809   20.669   3.1350   18.349   4.5328   22.797   4.3406  1052.85  141.038  1184.05  118.673 -131.1930 184.3230 
1 1 1  -31    3   22 o  1125.20   92.997   20.331   3.2472   18.515   4.7257   21.956   4.4694  1053.77  147.244  1158.21  125.232 -104.4419 193.2969 
1 1 1  -31    3   24 f  688.872  138.720   8.0147   2.8887   8.1429   3.7026   7.8153   4.6181  684.536  172.737  667.937  202.908 16.59863 266.4767 
1 1 1  -31    3   26 o  2497.51  125.931  101.840   9.8165  108.536   13.958   95.287   13.809  2528.42  177.423  2356.52  188.723 171.8926 259.0273 
1 1 1  -31    3   28 f  1087.35  132.586   19.647   4.4208   21.386   6.2009   17.850   6.3041  1106.50  185.541  995.399  208.919 111.1022 279.4152 
1 1 1  -31    3   30 o  1703.13  121.024   47.601   6.4121   46.700   9.0436   48.512   9.0929  1643.80  178.573  1678.16  175.644 -34.36560 250.4780 
1 1 1  -31    3   32 o  1747.16  124.646   50.402   6.7744   52.746   9.3261   47.784   9.8567  1747.15  172.733  1641.23  195.655 105.9198 260.9933 
1 1 1  -31    3   34 o  2159.36  100.031   75.599   6.7635   69.990   11.628   78.466   8.3148  1986.03  189.273  2178.57  122.384 -192.5420 225.3934 
1 1 1  -31    3   36 f  2066.48   99.539   69.563   6.4409   59.448   11.213   74.545   7.8686  1797.82  202.717  2118.77  119.086 -320.9546 235.1080 
1 1 1  -31    3   38 o  1100.28  101.344   20.055   3.4523   17.468   5.1338   22.190   4.6645  976.784  174.240  1135.72  133.727 -158.9332 219.6415 
1 1 1  -31    3   40 o  2007.93   85.897   66.091   5.4006   71.238   7.6832   61.065   7.5928  2037.57  120.966  1873.11  130.267 164.4647 177.7698 
1 1 1  -31    3   42 o  286.910  127.964  -0.2564   2.3340  -0.4380   3.5501  -0.1181   3.0976  339.999  154.186  328.197  146.822 11.80167 212.9088 
1 1 1  -31    3   44 f  397.509  173.152   2.0523   4.0417   2.1043   5.4321   1.9879   6.0494  423.654  191.551  431.066  197.673 -7.412231 275.2568 
1 1 1  -31    3   46 o  921.917  138.793   16.969   3.8824   19.737   6.8728   15.671   4.7050  777.130  249.298  811.664  188.701 -34.53467 312.6624 
1 1 1  -31    3   48 o  2139.74  115.484   88.404   7.7089   85.264   13.305   89.991   9.4583  1491.87  295.264  2034.16  149.542 -542.2869 330.9738 
1 1 1  -31    3   50 o  1364.37  115.759   37.612   4.8988   32.266   7.8834   40.975   6.2525  841.684  266.682  1316.83  154.578 -475.1465 308.2428 
1 1 1  -31    3   52 o  1707.03   96.659   56.989   5.1453   59.326   7.1450   54.471   7.4157  1544.28  149.638  1400.21  172.805 144.0719 228.5892 
1 1 1  -31    3   54 o  1704.63  124.113   68.584   6.5792   69.899   8.0400   65.917   11.446  1501.59  174.236  656.493  288.524 845.0947 337.0526 
1 1 1  -31    4    1 o  293.164  124.918   0.0559   2.0164   3.3662   2.8800  -3.1271   2.8241  470.663  161.721  268.943  127.140 201.7203 205.7137 
1 1 1  -31    4    3 o  405.291  141.440   2.4039   2.2071  -1.2685   3.1155   6.1038   3.1272  326.551  146.583  601.052  162.338 -274.5007 218.7240 
1 1 1  -31    4    5 o  550.932  150.389   5.0912   2.6670   6.4636   3.5016   3.1950   4.1160  618.016  173.717  501.547  190.286 116.4684 257.6555 
1 1 1  -31    4    7 o  705.289  114.100   8.1450   2.4338   4.8796   3.4365   11.431   3.4472  548.130  176.331  831.609  137.166 -283.4789 223.3987 
1 1 1  -31    4    9 o  792.800  105.362   10.189   2.5508   7.6435   3.5832   12.805   3.6320  669.928  170.412  881.442  135.967 -211.5141 218.0076 
1 1 1  -31    4   11 o  689.000  117.805   7.8072   2.4502   8.0848   3.6283   7.5744   3.3222  688.731  169.413  668.149  160.750 20.58228 233.5406 
1 1 1  -31    4   13 o  1325.98   82.947   27.966   3.4266   33.354   4.9805   23.124   4.7218  1439.89  111.330  1191.74  128.571 248.1482 170.0732 
1 1 1  -31    4   15 o  1049.22   91.245   17.623   2.9679   17.083   4.4139   18.069   4.0097  1017.15  142.497  1052.98  123.986 -35.83588 188.8858 
1 1 1  -31    4   17 o  1368.61   86.419   29.855   3.6845   32.052   5.2927   27.790   5.1322  1406.46  121.369  1306.79  127.030 99.67346 175.6902 
1 1 1  -31    4   19 o  516.237  135.797   4.4814   2.2246   9.2633   3.2920   0.4627   3.0179  741.689  146.946  366.180  154.272 375.5089 213.0567 
1 1 1  -31    4   21 o  1241.19  101.476   24.798   3.9093   30.403   4.8415   14.297   6.6270  1370.47  113.852  888.750  234.669 481.7250 260.8288 
1 1 1  -31    4   23 o  1748.88   96.053   49.023   5.2399   49.748   6.5273   47.709   8.7872  1750.65  119.794  1685.38  168.777 65.26892 206.9692 
1 1 1  -31    4   25 o  761.846  164.214   9.9998   3.8019   6.7606   5.3382   13.334   5.4161  635.297  220.066  865.295  203.340 -229.9972 299.6266 
1 1 1  -31    4   27 o  1233.11  121.384   24.929   4.6261   38.602   6.7490   12.811   6.3535  1524.41  143.063  832.113  234.038 692.2990 274.3004 
1 1 1  -31    4   29 o  1953.64   97.276   61.349   5.9507   75.547   10.669   54.937   7.1693  2114.67  162.369  1829.04  125.949 285.6373 205.4919 
1 1 1  -31    4   31 o  723.822  161.972   9.1521   3.5794   8.4810   5.3075   9.7120   4.8476  683.267  219.066  729.813  204.135 -46.54572 299.4343 
1 1 1  -31    4   33 o  1317.87  102.594   28.292   4.2002   30.291   7.3021   27.303   5.1347  1311.82  182.732  1279.72  129.941 32.09619 224.2225 
1 1 1  -31    4   35 o  1535.93   97.542   38.393   4.6668   48.328   8.6664   34.336   5.5384  1664.28  168.629  1435.19  124.474 229.0941 209.5940 
1 1 1  -31    4   37 o  551.604  159.155   5.4640   2.9012   7.2788   5.7645   4.8483   3.3574  623.696  227.347  523.906  174.648 99.78967 286.6854 
1 1 1  -31    4   39 o  699.917  156.243   8.9814   3.3375   0.9804   6.2441   12.182   3.9490  471.073  209.760  815.312  160.397 -344.2391 264.0577 
1 1 1  -31    4   41 o  774.937  121.122   10.591   2.8429   9.0637   4.4207   11.668   3.7123  654.656  198.448  786.423  156.259 -131.7671 252.5839 
1 1 1  -31    4   43 o  1183.44  112.116   24.752   4.1051   36.436   7.3753   19.507   4.9412  1323.70  182.820  988.002  165.579 335.6959 246.6568 
1 1 1  -31    4   45 o  266.670  127.671  -2.4741   3.0350  -0.2341   5.2984  -3.5681   3.7026  374.346  176.107  280.240  135.863 94.10559 222.4244 
1 1 1  -31    4   47 o  2086.79  113.219   81.865   7.3704   92.376   12.824   76.681   9.0064  1799.51  233.065  1894.21  153.158 -94.70862 278.8847 
1 1 1  -31    4   49 o  1573.82   93.563   45.397   4.5900   50.055   6.3757   40.385   6.6135  1542.95  133.272  1300.97  166.142 241.9866 212.9896 
1 1 1  -31    4   51 o  215.295  105.898  -2.9179   2.4993  -4.2540   3.3035  -1.1295   3.8220  232.425  115.626  282.772  137.307 -50.34645 179.5063 
1 1 1  -31    4   53 f  616.435  156.972   10.502   3.0380   6.7507   3.9837   15.715   4.6965  397.753  172.583  610.091  206.556 -212.3373 269.1661 
1 1 1  -31    4   55 o  397.329  163.629   7.0405   3.2840   10.439   3.9737  -0.2809   5.8326  445.884  181.382  273.778  138.438 172.1059 228.1765 
1 1 1  -31    5    2 o  1197.61   87.441   22.854   3.2564   25.034   4.7999   20.994   4.4325  1242.85  125.034  1136.62  126.698 106.2319 178.0048 
1 1 1  -31    5    4 o  232.811  108.165  -1.6346   1.8984   2.5759   2.9161  -4.7318   2.5010  438.412  161.411  220.785  108.049 217.6279 194.2375 
1 1 1  -31    5    6 o  1270.98   99.394   25.847   3.9242   26.006   4.9078   25.564   6.5342  1266.99  125.351  1237.70  173.357 29.29517 213.9281 
1 1 1  -31    5    8 o  852.856   98.184   11.713   2.5741   14.404   3.7592   9.3363   3.5321  937.595  131.676  744.592  156.468 193.0037 204.5013 
1 1 1  -31    5   10 o  677.433  117.985   7.5495   2.4118   8.2838   3.6428   6.9764   3.2180  697.772  168.606  641.678  160.555 56.09436 232.8213 
1 1 1  -31    5   12 o  792.485  105.808   10.186   2.5600   10.402   3.8949   10.022   3.3968  784.099  163.915  774.808  145.350 9.291321 219.0767 
1 1 1  -31    5   14 o  865.976  100.585   12.101   2.6766   11.408   3.8369   12.758   3.7358  824.632  154.268  877.716  140.679 -53.08386 208.7800 
1 1 1  -31    5   16 o  709.893  117.619   8.2869   2.5230   8.9495   3.7593   7.7438   3.4032  723.914  168.929  674.295  162.989 49.61890 234.7386 
1 1 1  -31    5   18 o  730.547  115.681   8.7623   2.5581   9.5740   3.9084   8.1540   3.3834  747.758  170.685  692.177  159.399 55.58142 233.5410 
1 1 1  -31    5   20 o  1140.80  102.024   20.959   3.6060   22.502   4.6028   18.507   5.8023  1173.57  127.295  1039.17  185.105 134.3949 224.6507 
1 1 1  -31    5   22 o  410.556  162.243   1.7384   3.0853   4.5709   4.3802  -1.0508   4.3465  549.979  198.527  394.502  175.375 155.4776 264.8951 
1 1 1  -31    5   24 o  422.157  162.927   2.1208   3.0515  -0.2212   5.1034   3.4241   3.8070  443.864  193.922  494.538  183.975 -50.67377 267.3060 
1 1 1  -31    5   26 o  2000.41  120.958   65.117   7.5409   71.726   10.755   58.725   10.577  2064.59  167.809  1853.56  184.689 211.0280 249.5397 
1 1 1  -31    5   28 f  1811.97   97.884   52.849   5.5331   51.432   9.5771   53.560   6.7789  1733.49  179.018  1811.71  120.178 -78.22021 215.6160 
1 1 1  -31    5   30 o  1699.40   97.878   46.591   5.1863   51.645   9.3608   44.352   6.2298  1735.82  174.592  1644.69  121.837 91.13635 212.9003 
1 1 1  -31    5   32 o  320.142  140.588  -0.3850   2.7129  -6.1487   5.2919   1.6696   3.1596  351.905  168.506  406.226  162.978 -54.32101 234.4275 
1 1 1  -31    5   34 o  842.134  121.549   11.872   3.1124   9.8547   5.7412   12.712   3.7039  721.535  227.473  862.258  142.136 -140.7232 268.2284 
1 1 1  -31    5   36 o  645.330  155.006   7.4080   3.0929   3.4194   5.4736   9.2789   3.7488  520.281  212.402  716.431  169.717 -196.1497 271.8797 
1 1 1  -31    5   38 o  1650.65  120.647   45.989   6.1926   0.0000   0.0000   45.989   6.1926  ?   ?   1650.65  120.647 0.000000 120.6471 
1 1 1  -31    5   40 o  431.951  164.317   3.0138   3.0743   8.7590   6.3479   1.2534   3.5139  629.481  236.896  388.011  165.107 241.4700 288.7556 
1 1 1  -31    5   42 o  2106.18  106.645   76.442   7.0102   74.021   12.552   77.540   8.4510  1811.48  226.229  2074.40  130.776 -262.9209 261.3079 
1 1 1  -31    5   44 o  471.573  175.217   4.7586   3.4511   7.3912   6.5721   3.7563   4.0551  527.040  225.070  440.709  181.701 86.33112 289.2602 
1 1 1  -31    5   46 o  1840.78  108.132   61.776   6.2053   74.380   10.872   55.685   7.5571  1742.06  203.126  1650.99  147.744 91.07556 251.1737 
1 1 1  -31    5   48 o  2158.99   96.461   84.658   6.5210   77.951   9.1990   91.434   9.2455  1862.46  159.269  2078.42  142.931 -215.9675 214.0000 
1 1 1  -31    5   50 o  564.125  158.719   8.0007   2.9216   11.238   3.9976   4.2890   4.2806  612.114  189.308  386.675  172.816 225.4386 256.3260 
1 1 1  -31    5   52 o  2453.17  105.367  121.469   8.0937  111.219   11.316  132.206   11.581  1914.48  191.322  2202.73  169.207 -288.2479 255.4117 
1 1 1  -31    5   54 o  818.437  133.429   16.416   3.3016   17.506   4.5768   15.235   4.7673  653.308  202.643  547.737  205.459 105.5712 288.5790 
1 1 1  -31    6    1 o  333.910  141.271   0.2354   2.5479  -1.9099   5.7696   0.7552   2.8398  445.385  199.731  367.591  151.852 77.79352 250.9019 
1 1 1  -31    6    3 o  301.537  126.583   0.2721   2.0200  -0.2175   2.8748   0.7496   2.8391  339.710  147.003  367.432  151.813 -27.72235 211.3226 
1 1 1  -31    6    5 o  421.617  140.463   2.7397   2.1718   2.8113   3.2414   2.6815   2.9258  459.388  169.984  443.304  161.910 16.08426 234.7535 
1 1 1  -31    6    7 o  1193.80   85.441   22.685   3.1728   20.730   4.6156   24.436   4.3685  1127.56  133.308  1231.44  114.608 -103.8770 175.8012 
1 1 1  -31    6    9 o  799.866  104.440   10.356   2.5533   11.703   3.6840   9.1106   3.5422  839.471  145.418  734.979  158.569 104.4921 215.1524 
1 1 1  -31    6   11 o  473.331  135.558   3.7046   2.1118   0.1560   3.1292   6.6723   2.8617  364.645  155.501  629.546  147.713 -264.9003 214.4754 
1 1 1  -31    6   13 o  970.875   97.459   15.138   2.9228   16.624   4.3206   13.884   3.9687  1004.80  141.223  916.161  143.017 88.63617 200.9921 
1 1 1  -31    6   15 o  1184.74   91.578   22.426   3.3709   18.709   4.8665   25.855   4.6738  1063.01  150.403  1264.09  119.496 -201.0782 192.0944 
1 1 1  -31    6   17 o  383.029  150.684   1.4849   2.6502   9.6207   4.8693  -1.9396   3.1590  743.434  203.316  313.480  143.418 429.9546 248.8096 
1 1 1  -31    6   19 o  1503.30  117.139   36.518   5.4704   41.061   8.2065   32.886   7.3388  1568.84  169.764  1401.91  170.704 166.9280 240.7483 
1 1 1  -31    6   21 o  1369.36  122.711   30.476   5.2058   37.982   7.7013   24.161   7.0641  1508.35  165.796  1183.86  197.523 324.4899 257.8833 
1 1 1  -31    6   23 o  382.570  157.549   0.9682   3.0444   3.5959   4.4350  -1.3735   4.1867  519.196  197.393  380.012  170.297 139.1847 260.7012 
1 1 1  -31    6   25 o  2115.03  122.383   72.679   8.0704   81.335   11.728   64.896   11.122  2200.14  171.601  1954.21  183.927 245.9363 251.5476 
1 1 1  -31    6   27 o  3030.69  110.313  148.150   10.469  156.976   18.297  143.854   12.764  3023.34  194.300  2962.36  137.607 60.98242 238.0933 
1 1 1  -31    6   29 o  1394.08   96.856   31.326   4.2017   29.495   7.5329   32.154   5.0624  1301.35  190.505  1403.73  116.220 -102.3809 223.1574 
1 1 1  -31    6   31 f  610.079  148.418   6.4250   2.8082   5.9937   5.1519   6.6073   3.3495  601.847  215.530  614.330  168.884 -12.48334 273.8155 
1 1 1  -31    6   33 o  2718.11  106.236  119.880   9.0418  135.947   15.992  112.329   10.962  2794.36  183.790  2600.24  135.105 194.1184 228.1056 
1 1 1  -31    6   35 f  2097.17  100.178   71.452   6.5784   64.389   11.468   74.915   8.0312  1889.58  196.707  2126.83  121.096 -237.2516 230.9934 
1 1 1  -31    6   37 o  1520.66  100.952   38.035   4.7796   46.332   8.7178   34.470   5.7151  1603.99  176.496  1425.55  129.443 178.4380 218.8755 
1 1 1  -31    6   39 o  2410.19  106.477   97.078   8.0357   99.929   14.269   95.754   9.7245  2259.73  203.849  2350.51  132.668 -90.78101 243.2185 
1 1 1  -31    6   41 o  1054.95  128.189   19.811   4.1475   9.2313   7.8868   23.855   4.8761  612.836  253.105  1147.39  138.525 -534.5497 288.5330 
1 1 1  -31    6   43 o  627.054  174.757   8.3432   3.5595   13.282   6.7445   6.4366   4.1906  683.339  246.397  534.650  194.001 148.6887 313.6046 
1 1 1  -31    6   45 o  1185.90  107.347   25.285   3.9430   29.385   5.7481   21.641   5.4188  1197.20  157.130  989.414  181.599 207.7861 240.1418 
1 1 1  -31    6   47 o  374.575  153.989   2.7141   2.9021   2.8691   4.4831   2.6024   3.8076  394.445  176.533  381.601  167.091 12.84393 243.0702 
1 1 1  -31    6   49 o  1535.84   97.725   43.672   4.6752   46.089   6.5173   41.111   6.7105  1450.64  145.438  1315.52  166.644 135.1233 221.1845 
1 1 1  -31    6   51 o  995.955  116.512   20.438   3.5648   19.081   4.8272   22.067   5.2870  801.796  194.305  848.860  201.861 -47.06451 280.1826 
1 1 1  -31    6   53 o  872.461  122.846   17.032   3.2631   16.516   4.4125   17.654   4.8475  688.152  195.563  667.159  208.816 20.99347 286.0925 
1 1 1  -31    7    2 o  650.264  140.901   7.0722   2.7860   10.554   4.9042   5.4131   3.3854  782.392  199.553  571.471  173.757 210.9219 264.5993 
1 1 1  -31    7    4 o  856.026  121.557   11.952   3.1667   9.5434   5.6005   13.084   3.8394  744.778  222.826  890.147  142.561 -145.3694 264.5276 
1 1 1  -31    7    6 o  1114.88  103.304   19.944   3.5653   27.625   6.4165   16.513   4.2882  1293.33  161.996  1002.90  140.403 290.4343 214.3729 
1 1 1  -31    7    8 o  1181.44   97.498   22.323   3.5746   20.508   6.2797   23.193   4.3477  1100.99  188.959  1198.86  117.320 -97.86890 222.4173 
1 1 1  -31    7   10 o  492.088  150.582   3.9548   2.5370   5.7901   4.3533   3.0110   3.1219  599.014  198.831  463.279  167.546 135.7352 260.0109 
1 1 1  -31    7   12 o  299.517  132.084  -0.6075   2.4178  -1.6816   4.6095  -0.1998   2.8398  397.629  178.406  338.018  146.188 59.61148 230.6499 
1 1 1  -31    7   14 o  956.494  109.573   14.791   3.2225   18.795   5.7148   12.925   3.9021  1055.05  179.410  882.318  146.369 172.7264 231.5423 
1 1 1  -31    7   16 o  1201.61  124.421   23.444   4.6135   21.491   6.6561   25.249   6.4004  1120.88  196.829  1228.99  170.949 -108.1147 260.7015 
1 1 1  -31    7   18 o  905.310  145.181   13.618   3.9764   20.104   5.8304   7.9766   5.4372  1090.87  176.737  685.658  221.925 405.2100 283.7016 
1 1 1  -31    7   20 o  1625.08  119.093   42.684   6.0179   49.854   8.6378   35.922   8.3888  1735.40  160.786  1456.19  188.395 279.2141 247.6791 
1 1 1  -31    7   22 o  668.648  174.846   7.7033   3.7022   3.8797   5.8061   10.323   4.8059  566.407  222.969  767.553  198.487 -201.1456 298.5167 
1 1 1  -31    7   24 o  4100.28  132.245  273.212   16.979  279.173   29.519  270.264   20.756  3980.61  237.916  4038.37  164.144 -57.76245 289.0451 
1 1 1  -31    7   26 o  482.084  154.093   3.8034   2.6276   2.8274   4.8288   4.2140   3.1319  506.758  202.112  509.544  168.623 -2.786011 263.2167 
1 1 1  -31    7   28 o  1923.57   97.440   59.436   5.8498   76.166   10.276   51.415   7.1152  2138.60  154.499  1771.74  129.143 366.8510 201.3643 
1 1 1  -31    7   30 o  462.402  159.045   3.3614   2.7859   6.5765   5.0931   1.9888   3.3278  622.844  214.999  426.128  168.467 196.7168 273.1402 
1 1 1  -31    7   32 o  3311.92  117.165  178.772   12.150  172.931   21.050  181.690   14.879  3106.13  217.808  3306.12  143.731 -199.9912 260.9579 
1 1 1  -31    7   34 o  2421.92  103.741   95.252   7.8673   99.089   13.713   93.370   9.6054  2373.01  186.035  2370.96  129.877 2.050049 226.8853 
1 1 1  -31    7   36 o  2086.21  122.713   72.636   7.9809   0.0000   0.0000   72.636   7.9809  ?   ?   2086.21  122.713 0.000000 122.7132 
1 1 1  -31    7   38 o  2074.87  101.460   71.130   6.5918   76.143   11.608   68.743   8.0083  2022.51  185.359  2005.72  128.182 16.79028 225.3634 
1 1 1  -31    7   40 o  449.366  168.510   3.4624   3.2064   1.5568   6.3301   4.1201   3.7187  468.837  209.801  480.147  181.183 -11.30997 277.2072 
1 1 1  -31    7   42 o  2719.39   96.934  125.482   8.2540  136.858   11.838  114.720   11.514  2728.95  139.002  2469.61  149.602 259.3416 204.2114 
1 1 1  -31    7   44 o  1506.85   96.468   39.342   4.5278   33.899   6.6025   44.174   6.2210  1281.18  168.682  1537.76  130.427 -256.5759 213.2249 
1 1 1  -31    7   46 o  568.163  181.287   7.8340   3.6381   9.4208   4.5757   5.1070   5.9985  587.669  203.734  455.925  204.113 131.7436 288.3913 
1 1 1  -31    7   48 o  1747.14   98.990   55.765   5.3932   51.700   7.7312   59.619   7.5273  1499.20  167.557  1677.49  144.721 -178.2882 221.4039 
1 1 1  -31    7   50 o  903.953  127.116   17.065   3.4986   15.052   5.0565   18.914   4.8458  662.680  213.965  829.357  190.596 -166.6762 286.5449 
1 1 1  -31    7   52 o  3205.64  127.422  227.109   12.790  217.937   18.031  236.398   18.145  2334.59  250.582  2556.06  229.144 -221.4641 339.5564 
1 1 1  -31    7   54 o  995.187  123.518   22.927   3.7663   20.136   5.0499   26.426   5.6538  682.724  213.040  796.765  219.573 -114.0408 305.9383 
1 1 1  -31    8    1 o  523.338  167.736   4.4077   3.1119   0.0000   0.0000   4.4077   3.1119  ?   ?   523.338  167.736 0.000000 167.7362 
1 1 1  -31    8    3 o  198.595   97.260  -3.9304   2.0374  -4.3927   3.4046  -3.6724   2.5430  284.947  136.094  240.364  115.546 44.58318 178.5284 
1 1 1  -31    8    5 o  449.953  155.293   3.0234   2.6571   3.2553   4.6743   2.9127   3.2296  522.598  201.660  463.502  169.985 59.09552 263.7456 
1 1 1  -31    8    7 o  1595.77  118.414   40.925   5.8747   45.718   8.5871   36.707   8.0545  1666.78  166.770  1487.63  176.346 179.1537 242.7147 
1 1 1  -31    8    9 o  557.425  140.602   5.2024   2.4538   9.8766   5.0656   3.7693   2.8049  756.849  207.536  488.142  159.483 268.7061 261.7371 
1 1 1  -31    8   11 o  585.532  144.414   5.7550   2.6312   2.1355   4.7139   7.3931   3.1712  491.415  198.393  662.116  155.593 -170.7013 252.1283 
1 1 1  -31    8   13 o  537.960  150.794   4.8337   2.6423   3.6945   4.8230   5.3223   3.1585  539.241  205.647  564.999  166.942 -25.75781 264.8779 
1 1 1  -31    8   15 o  1656.15  118.606   44.155   6.1100   52.794   8.9745   36.691   8.3417  1791.40  161.738  1480.40  183.917 311.0028 244.9175 
1 1 1  -31    8   17 o  1533.33  117.112   37.887   5.5803   47.587   8.3976   30.216   7.4675  1699.77  159.648  1340.93  182.597 358.8489 242.5477 
1 1 1  -31    8   19 o  1978.96  118.867   63.094   7.3316   73.434   10.512   53.302   10.230  2111.88  160.162  1782.14  186.071 329.7410 245.5081 
1 1 1  -31    8   21 o  1294.73  128.293   27.308   5.1327   30.363   7.7037   24.870   6.8829  1337.10  189.288  1208.81  187.946 128.2888 266.7463 
1 1 1  -31    8   23 o  472.860  151.009   3.6218   2.5239  -2.8284   4.9869   5.8429   2.9264  392.034  179.665  586.157  156.501 -194.1232 238.2688 
1 1 1  -31    8   25 o  2448.44  102.343   95.974   7.8463   97.350   13.687   95.300   9.5761  2402.68  183.306  2422.71  126.672 -20.03564 222.8158 
1 1 1  -31    8   27 o  1170.69  107.069   22.190   3.8814   27.825   6.8449   19.519   4.7122  1279.33  175.495  1083.71  142.307 195.6184 225.9419 
1 1 1  -31    8   29 o  1325.85  130.048   28.914   5.3295   28.795   7.5656   29.031   7.5088  1287.24  193.704  1294.26  191.024 -7.026001 272.0500 
1 1 1  -31    8   31 o  713.424  150.469   8.7404   3.2555   6.8133   6.2169   9.4686   3.8214  642.536  235.811  736.003  169.336 -93.46704 290.3132 
1 1 1  -31    8   33 o  1657.22   86.253   44.130   4.4603   48.647   6.3733   39.794   6.2444  1720.63  119.024  1548.43  129.993 172.1979 176.2522 
1 1 1  -31    8   35 o  1197.01  128.530   24.075   4.7421   0.0000   0.0000   24.075   4.7421  ?   ?   1197.01  128.530 0.000000 128.5303 
1 1 1  -31    8   37 o  337.130  145.563   0.2497   2.8062  -3.8645   5.8164   1.4979   3.2037  390.746  184.031  392.871  161.684 -2.124420 244.9676 
1 1 1  -31    8   39 o  1599.77  101.805   42.822   5.0731   54.235   9.5669   38.357   5.9837  1685.70  184.248  1484.17  130.069 201.5306 225.5332 
1 1 1  -31    8   41 o  302.279  139.111  -1.1910   3.0327  -3.8087   6.0373  -0.3075   3.5074  377.135  180.428  342.820  154.560 34.31470 237.5771 
1 1 1  -31    8   43 o  679.405  149.793   9.0476   3.1009   4.6706   4.5776   12.759   4.2155  478.493  194.666  780.580  176.599 -302.0868 262.8350 
1 1 1  -31    8   45 o  364.263  153.095   1.9371   2.9605  -2.9995   4.5875   5.4602   3.8755  320.168  154.219  484.372  184.434 -164.2040 240.4149 
1 1 1  -31    8   47 o  1714.87  116.398   55.507   6.2132   56.951   7.5532   52.486   10.927  1656.04  147.195  1210.57  291.700 445.4736 326.7345 
1 1 1  -31    8   49 o  387.542  159.588   3.5123   3.1235   5.8992   4.7194   1.6517   4.1667  437.568  188.850  351.492  162.226 86.07526 248.9616 
1 1 1  -31    8   51 o  820.515  141.438   15.232   3.5027   18.404   4.9885   12.147   4.9192  765.784  204.272  554.494  208.567 211.2892 291.9370 
1 1 1  -31    8   53 o  980.953  126.804   21.755   3.8037   17.341   5.3930   26.124   5.3657  597.615  219.584  904.767  195.135 -307.1517 293.7599 
1 1 1  -31    9    2 o  550.555  169.349   4.9704   3.2040   0.0000   0.0000   4.9704   3.2040  ?   ?   550.555  169.349 0.000000 169.3490 
1 1 1  -31    9    4 o  629.351  141.395   6.6196   2.7184   9.1055   5.2628   5.7150   3.1747  730.185  215.422  584.536  165.799 145.6491 271.8381 
1 1 1  -31    9    6 o  719.598  132.416   8.5569   2.8737   11.563   5.0663   7.1309   3.4893  820.619  199.178  649.541  169.694 171.0775 261.6637 
1 1 1  -31    9    8 o  1122.73  124.117   20.408   4.2904   29.521   6.6236   13.821   5.6315  1339.38  161.168  896.081  205.132 443.3030 260.8719 
1 1 1  -31    9   10 o  487.315  147.557   3.8768   2.4451   12.611   4.5803   0.3959   2.8916  863.890  175.316  359.427  151.196 504.4628 231.5081 
1 1 1  -31    9   12 o  286.019  131.070  -1.7590   2.6534   3.0930   4.6813  -4.0557   3.2207  517.827  201.255  278.923  132.981 238.9044 241.2213 
1 1 1  -31    9   14 o  664.604  167.779   7.4915   3.4920   2.9179   5.7905   10.105   4.3776  547.977  220.357  768.659  184.272 -220.6822 287.2509 
1 1 1  -31    9   16 o  454.121  165.431   2.8460   3.0516   2.9659   5.3752   2.7889   3.7068  535.361  213.328  474.485  180.446 60.87634 279.4096 
1 1 1  -31    9   18 o  365.703  155.526   0.2284   3.1147   0.9283   4.6728  -0.3313   4.1783  457.316  192.279  405.228  176.288 52.08820 260.8612 
1 1 1  -31    9   20 o  586.461  159.449   5.8166   3.0051   13.705   5.8523   2.9919   3.5020  884.005  213.771  473.641  176.403 410.3640 277.1569 
1 1 1  -31    9   22 o  1337.08  100.484   28.673   4.1762   26.202   7.4426   29.808   5.0454  1236.29  199.012  1356.68  120.005 -120.3900 232.3938 
1 1 1  -31    9   24 o  1768.80   96.814   50.038   5.3418   57.689   9.5670   46.573   6.4389  1863.08  165.725  1695.72  122.084 167.3599 205.8373 
1 1 1  -31    9   26 o  684.539  132.892   7.8450   2.7458   4.6958   4.1630   10.270   3.6530  550.013  194.085  778.088  155.377 -228.0745 248.6180 
1 1 1  -31    9   28 o  737.406  153.148   9.2626   3.4206   8.8703   4.3123   9.9283   5.6172  710.910  190.057  745.096  223.212 -34.18549 293.1638 
1 1 1  -31    9   30 o  1414.89   88.082   32.083   3.8830   39.490   5.7617   25.920   5.2558  1555.95  119.165  1250.78  136.409 305.1740 181.1293 
1 1 1  -31    9   32 o  2489.23  103.824  100.118   8.0925  107.338   14.276   96.699   9.8231  2490.82  184.353  2422.20  129.990 68.62207 225.5737 
1 1 1  -31    9   34 o  1018.58  146.623   17.756   4.5417   0.0000   0.0000   17.756   4.5417  ?   ?   1018.58  146.623 0.000000 146.6231 
1 1 1  -31    9   36 o  2210.84  102.845   80.184   7.1196   78.942   12.454   80.787   8.6773  2071.03  194.319  2190.14  127.078 -119.1101 232.1825 
1 1 1  -31    9   38 o  884.550  114.257   13.332   3.0907   17.630   4.6998   10.058   4.1025  985.898  157.546  723.229  181.458 262.6699 240.3081 
1 1 1  -31    9   40 o  1059.96  107.281   19.202   3.5116   18.991   5.1534   19.385   4.7980  993.834  171.816  1021.64  154.835 -27.81036 231.2893 
1 1 1  -31    9   42 o  1180.98  105.341   24.145   3.8546   24.191   5.7242   24.107   5.2138  1102.48  171.382  1125.72  151.783 -23.24060 228.9324 
1 1 1  -31    9   44 o  519.418  167.228   5.7727   3.0904   4.3917   4.3956   7.1226   4.3458  461.554  189.602  545.403  197.613 -83.84848 273.8608 
1 1 1  -31    9   46 o  1621.30   96.590   46.393   4.8813   38.725   6.8969   54.090   6.9096  1340.07  168.061  1668.91  133.334 -328.8385 214.5290 
1 1 1  -31    9   48 o  312.004  145.914  -0.3113   3.5469   0.3162   4.2241  -1.8115   6.5311  339.616  158.957  355.985  174.297 -16.36868 235.8954 
1 1 1  -31    9   50 o  1506.99  101.255   42.854   4.7503   42.609   6.8104   43.086   6.6290  1325.27  167.880  1356.06  159.144 -30.78931 231.3231 
1 1 1  -31    9   52 o  288.617  134.868   0.5629   3.0201  -1.1730   3.9341   3.0540   4.7128  282.376  137.608  346.571  163.961 -64.19476 214.0542 
1 1 1  -31   10    1 f  464.766  144.421   3.4741   2.3235   4.3424   3.5083   2.7957   3.1010  529.321  178.528  455.318  166.630 74.00323 244.2085 
1 1 1  -31   10    3 o  607.277  134.998   6.1401   2.5005   6.8864   3.7195   5.5246   3.3777  639.586  178.782  577.887  173.081 61.69934 248.8372 
1 1 1  -31   10    5 f  1161.51   89.836   21.480   3.2419   24.541   4.6331   18.544   4.5379  1233.90  121.491  1065.86  139.300 168.0347 184.8365 
1 1 1  -31   10    7 f  1419.42   85.913   31.980   3.8004   35.322   5.6693   29.253   5.1216  1481.62  123.321  1347.64  122.716 133.9806 173.9749 
1 1 1  -31   10    9 o  602.761  155.239   6.0996   2.9478   10.985   3.7647  -1.6412   4.7390  811.955  153.704  406.143  181.654 405.8116 237.9554 
1 1 1  -31   10   11 o  557.234  163.867   5.1489   3.0496   6.1594   4.1379   3.9476   4.5119  611.927  193.137  540.035  200.406 71.89240 278.3244 
1 1 1  -31   10   13 o  949.714  123.640   14.665   3.5896   15.961   4.7255   12.895   5.5194  980.257  159.434  864.570  206.685 115.6877 261.0320 
1 1 1  -31   10   15 o  480.521  161.607   3.5682   2.8747   7.4347   4.1495   0.0000   3.9862  662.137  190.132  405.056  174.189 257.0815 257.8608 
1 1 1  -31   10   17 o  1172.94   92.665   21.963   3.3757   17.323   5.0004   25.849   4.5756  1019.89  161.996  1266.28  116.713 -246.3813 199.6613 
1 1 1  -31   10   19 o  542.737  153.150   4.9265   2.7160   4.7270   4.4630   5.0438   3.4229  562.466  200.691  555.022  175.710 7.443604 266.7412 
1 1 1  -31   10   21 o  1958.28   85.499   60.804   5.2427   65.393   7.6354   56.710   7.2114  2014.56  121.611  1874.72  123.540 139.8459 173.3533 
1 1 1  -31   10   23 o  487.649  154.003   3.8630   2.6306   3.2926   4.0973   4.2630   3.4312  502.555  190.051  520.830  176.552 -18.27548 259.4029 
1 1 1  -31   10   25 o  1574.48   86.013   39.487   4.2245   44.385   6.2783   35.435   5.7105  1655.65  121.962  1477.31  124.612 178.3408 174.3646 
1 1 1  -31   10   27 o  918.549  136.956   14.000   3.8187   16.871   4.8446   9.2896   6.2056  1000.57  160.022  727.935  237.191 272.6389 286.1232 
1 1 1  -31   10   29 o  1889.15   99.139   57.338   5.8440   67.346   10.709   53.094   6.9740  1997.71  172.900  1804.64  124.173 193.0674 212.8692 
1 1 1  -31   10   31 o  491.068  168.723   3.8575   3.1348  -7.3727   6.4472   7.3346   3.5875  388.030  185.854  646.401  173.578 -258.3705 254.3047 
1 1 1  -31   10   33 o  1324.07  107.236   28.668   4.4078   22.735   8.3421   30.966   5.1917  1080.30  251.343  1367.74  122.523 -287.4446 279.6168 
1 1 1  -31   10   35 o  3098.87  100.001  156.671   9.7034  154.451   13.822  158.827   13.625  3007.58  146.773  3057.49  142.319 -49.90942 204.4433 
1 1 1  -31   10   37 o  1102.04  102.856   20.220   3.5083   21.805   5.3882   19.054   4.6223  1100.10  161.203  1039.44  146.046 60.65881 217.5221 
1 1 1  -31   10   39 o  1425.96   96.887   33.935   4.3004   30.157   6.1253   37.606   6.0388  1284.12  155.508  1462.28  133.355 -178.1580 204.8570 
1 1 1  -31   10   41 o  1057.15  113.903   19.485   3.7109   21.097   5.2626   17.891   5.2335  1044.52  166.494  940.813  184.244 103.7020 248.3266 
1 1 1  -31   10   43 o  1424.61   99.055   34.962   4.3912   27.233   6.3918   41.869   6.0430  1138.08  185.773  1513.54  128.732 -375.4531 226.0169 
1 1 1  -31   10   45 o  2181.54   96.519   82.799   6.5931   83.294   9.3828   82.317   9.2665  2055.80  146.722  2047.11  145.510 8.688599 206.6411 
1 1 1  -31   10   47 o  598.594  169.202   8.2806   3.3123   6.2155   4.6858   10.343   4.6828  478.874  196.128  606.492  206.250 -127.6176 284.6145 
1 1 1  -31   10   49 o  594.141  186.917   9.6526   3.8785   6.8063   4.5705   16.976   7.3314  468.568  193.010  601.850  245.774 -133.2828 312.5025 
1 1 1  -31   10   51 o  797.835  153.744   15.021   3.7016   16.212   5.2896   13.878   5.1817  664.880  219.099  598.499  215.946 66.38177 307.6319 
1 1 1  -31   11    2 o  440.915  143.867   3.0294   2.2827   1.8988   3.5699   3.8114   2.9691  441.658  174.525  495.109  164.198 -53.45163 239.6246 
1 1 1  -31   11    4 o  1062.22   95.007   18.009   3.1266   18.514   4.6704   17.600   4.2090  1064.40  143.813  1040.78  132.129 23.61694 195.2950 
1 1 1  -31   11    6 o  1042.63   96.540   17.368   3.1160   16.135   4.7241   18.318   4.1457  988.076  158.016  1063.45  127.012 -75.37433 202.7339 
1 1 1  -31   11    8 o  953.875  121.673   14.744   3.5514   14.915   4.4692   14.451   5.8499  949.710  155.682  918.135  208.266 31.57495 260.0228 
1 1 1  -31   11   10 o  802.442  133.250   10.576   3.2307   10.057   4.0861   11.443   5.2764  771.756  173.327  816.477  206.303 -44.72070 269.4500 
1 1 1  -31   11   12 o  614.193  152.648   6.3284   2.9229   3.4782   3.7152   10.959   4.7352  501.243  182.544  801.509  191.327 -300.2656 264.4402 
1 1 1  -31   11   14 o  878.608  126.714   12.596   3.3853   11.834   4.2776   13.874   5.5379  839.024  168.669  899.688  201.577 -60.66309 262.8349 
1 1 1  -31   11   16 o  2382.32   89.011   89.891   6.6399   94.484   9.7124   85.861   9.0982  2424.24  128.405  2311.73  126.168 112.5164 180.0174 
1 1 1  -31   11   18 o  647.885  140.222   7.0140   2.7621  -1.2929   4.3475   12.637   3.5768  393.397  175.111  877.078  134.531 -483.6809 220.8221 
1 1 1  -31   11   20 o  2089.79   88.210   69.227   5.7722   71.064   8.3921   67.578   7.9518  2099.38  128.277  2048.77  124.544 50.61060 178.7907 
1 1 1  -31   11   22 o  1822.13   86.715   52.644   4.9476   59.990   7.1767   45.991   6.8301  1930.89  119.283  1685.16  130.457 245.7300 176.7694 
1 1 1  -31   11   24 o  2114.75   86.480   70.973   5.7265   76.926   8.3422   65.669   7.8751  2183.76  122.494  2015.74  125.389 168.0262 175.2922 
1 1 1  -31   11   26 o  247.042  120.584  -5.4509   3.0556  -2.4829   5.6946  -6.6510   3.6211  429.065  194.847  265.855  130.086 163.2106 234.2810 
1 1 1  -31   11   28 o  1625.22  100.902   42.454   5.1095   42.152   9.0405   42.595   6.1936  1571.33  187.440  1617.76  123.193 -46.43127 224.2998 
1 1 1  -31   11   30 o  1459.94  102.582   34.443   4.6597   26.295   8.2994   38.193   5.6310  1202.99  228.687  1529.95  118.465 -326.9581 257.5488 
1 1 1  -31   11   32 o  1632.71   89.574   42.917   4.5619   45.489   6.6147   40.585   6.2999  1657.44  128.458  1564.20  129.797 93.23633 182.6161 
1 1 1  -31   11   34 o  1840.35   88.947   54.679   5.1256   60.741   7.5873   49.590   6.9518  1905.76  127.887  1719.38  130.087 186.3810 182.4221 
1 1 1  -31   11   36 o  819.121  131.538   11.601   3.2596   9.2253   5.0388   13.311   4.2744  683.114  212.748  856.643  165.342 -173.5294 269.4434 
1 1 1  -31   11   38 o  799.156  140.188   11.396   3.3801   12.276   4.7013   10.456   4.8630  789.189  192.067  715.063  205.979 74.12610 281.6327 
1 1 1  -31   11   40 o  1110.71  110.658   21.197   3.7973   13.403   5.4024   28.807   5.3387  785.940  213.833  1268.05  136.612 -482.1118 253.7470 
1 1 1  -31   11   42 o  1728.59  115.578   52.456   6.2198   44.032   10.556   56.937   7.6980  1320.75  264.470  1755.56  141.233 -434.8076 299.8184 
1 1 1  -31   11   44 o  1208.85  111.673   26.048   4.1793   25.682   6.0325   26.385   5.7954  1101.16  181.264  1136.68  167.880 -35.52234 247.0630 
1 1 1  -31   11   46 f  1198.33  112.608   26.249   4.1758   25.518   5.7691   27.054   6.0519  1079.02  176.883  1103.24  181.503 -24.22168 253.4380 
1 1 1  -31   11   48 o  1634.41   99.989   48.391   5.0925   50.332   7.2233   46.473   7.1808  1538.75  151.899  1458.94  159.801 79.81567 220.4762 
1 1 1  -31   11   50 o  1581.68  104.420   47.346   5.1424   46.769   7.2668   47.925   7.2782  1391.74  170.305  1417.24  167.230 -25.50110 238.6827 
1 1 1  -31   12    1 o  377.284  148.562   1.3646   2.5783   1.8068   3.8725   1.0125   3.4555  451.664  180.705  408.739  168.031 42.92502 246.7560 
1 1 1  -31   12    3 o  1087.47   98.452   18.884   3.3161   16.163   5.0412   20.960   4.4026  986.226  169.346  1139.52  125.467 -153.2966 210.7602 
1 1 1  -31   12    5 o  498.039  147.728   4.0511   2.4695   3.1787   3.8007   4.6884   3.2486  494.387  183.842  540.202  171.197 -45.81564 251.2100 
1 1 1  -31   12    7 o  1013.39  122.305   16.598   3.8025   17.443   4.8479   15.247   6.1300  1029.90  155.141  943.829  212.534 86.07355 263.1342 
1 1 1  -31   12    9 o  390.108  155.719   1.3187   2.8686   4.0095   3.6980  -2.7470   4.5456  521.691  183.025  376.940  172.296 144.7510 251.3642 
1 1 1  -31   12   11 o  356.201  149.210   0.4360   2.7969  -2.4743   3.5786   5.0044   4.4836  329.562  151.462  576.705  201.573 -247.1429 252.1360 
1 1 1  -31   12   13 o  645.346  140.612   6.9356   2.7611   3.5088   4.2697   9.3985   3.6197  519.839  194.550  749.163  159.215 -229.3242 251.3943 
1 1 1  -31   12   15 o  1518.81   86.680   36.599   4.1052   38.523   6.0388   34.945   5.5976  1547.34  125.725  1474.33  122.357 73.00354 175.4364 
1 1 1  -31   12   17 o  1384.10   91.268   30.473   3.9333   28.557   5.7544   32.153   5.3887  1325.28  140.825  1413.04  123.019 -87.75549 186.9898 
1 1 1  -31   12   19 o  657.590  152.262   7.2679   3.0734   8.4311   4.8889   6.5078   3.9520  703.747  207.632  623.691  187.312 80.05627 279.6365 
1 1 1  -31   12   21 o  1966.97   88.914   61.332   5.4763   65.806   8.1938   57.721   7.3620  2019.32  130.283  1893.01  124.903 126.3137 180.4840 
1 1 1  -31   12   23 o  1290.76   93.260   26.604   3.7439   28.104   5.5531   25.354   5.0692  1312.37  137.160  1247.83  131.730 64.54016 190.1724 
1 1 1  -31   12   25 o  1748.05  128.884   49.586   7.0048   50.800   10.733   48.685   9.2453  1726.60  202.358  1706.92  175.477 19.67883 267.8445 
1 1 1  -31   12   27 o  568.310  162.417   5.4886   3.0347   3.1356   5.8037   6.3741   3.5602  546.193  220.266  609.904  176.401 -63.71106 282.1954 
1 1 1  -31   12   29 o  1566.81  104.425   39.645   5.0938   44.240   9.2627   37.653   6.0989  1603.36  188.069  1514.22  129.887 89.13379 228.5619 
1 1 1  -31   12   31 o  593.500  157.055   6.1372   2.9641   8.5040   4.6260   4.4887   3.8608  685.553  201.889  528.055  186.846 157.4980 275.0831 
1 1 1  -31   12   33 o  2129.85  104.622   73.907   6.9773   70.968   12.459   75.250   8.4219  1975.65  204.355  2126.41  127.068 -150.7566 240.6390 
1 1 1  -31   12   35 o  1499.16   94.668   36.749   4.4211   35.378   6.6348   37.844   5.9294  1425.62  150.926  1495.82  127.821 -70.20557 197.7795 
1 1 1  -31   12   37 o  226.173  111.580  -5.5837   2.8448  -1.9840   3.8890  -9.7269   4.1723  337.150  155.999  255.385  127.510 81.76575 201.4807 
1 1 1  -31   12   39 o  1367.02  103.489   31.477   4.3970   32.011   6.2607   30.958   6.1767  1324.83  153.780  1301.84  154.543 22.99377 218.0178 
1 1 1  -31   12   41 o  690.552  156.933   9.1631   3.3163   10.842   4.7748   7.5985   4.6096  705.506  204.356  590.862  204.506 114.6435 289.1086 
1 1 1  -31   12   43 o  1092.82  141.308   22.402   4.7222   24.778   8.1532   21.202   5.7927  953.886  264.006  997.138  192.498 -43.25122 326.7329 
1 1 1  -31   12   45 o  428.922  168.176   3.6179   3.2910  -2.3307   4.5855   9.9364   4.7259  332.576  158.592  628.306  207.099 -295.7295 260.8477 
1 1 1  -31   12   47 o  804.942  149.659   13.358   3.6333   10.706   4.9366   16.493   5.3667  615.880  211.723  793.416  211.984 -177.5361 299.6067 
1 1 1  -31   12   49 o  597.608  176.138   8.9739   3.5199   5.2357   4.7968   13.335   5.1811  434.823  189.023  648.909  216.964 -214.0862 287.7557 
1 1 1  -31   13    2 o  990.891  108.563   15.772   3.3133   18.498   4.7724   13.235   4.6036  1063.68  147.236  889.882  171.432 173.7929 225.9804 
1 1 1  -31   13    4 o  429.517  180.701   0.6041   4.1310  -2.3653   6.1313   3.0725   5.5903  456.726  205.278  550.477  218.121 -93.75156 299.5259 
1 1 1  -31   13    6 o  271.804  127.409  -2.7106   2.7313   0.2639   3.4180  -7.9652   4.5429  385.359  163.364  303.327  147.830 82.03177 220.3216 
1 1 1  -31   13    8 o  375.087  154.936   0.7373   2.9560   0.7586   3.7012   0.6998   4.9119  413.522  172.298  466.227  196.640 -52.70450 261.4458 
1 1 1  -31   13   10 o  621.867  137.996   6.4266   2.6169   12.661   4.0215   1.8482   3.4464  875.461  152.227  435.319  171.650 440.1424 229.4278 
1 1 1  -31   13   12 f  1245.46  111.522   24.846   4.3031   27.025   5.3915   21.022   7.1422  1292.75  135.193  1112.04  212.866 180.7051 252.1683 
1 1 1  -31   13   14 o  454.093  155.115   3.0925   2.6488  -0.9112   3.9907   6.2453   3.5413  385.214  169.794  611.823  175.636 -226.6088 244.2909 
1 1 1  -31   13   16 o  1649.87   86.314   43.155   4.4436   49.991   6.5013   37.161   6.0875  1766.79  118.198  1518.69  129.243 248.1078 175.1414 
1 1 1  -31   13   18 o  1848.89   86.525   54.083   5.0092   61.819   7.2814   47.132   6.9020  1964.24  118.947  1710.33  129.847 253.9178 176.0927 
1 1 1  -31   13   20 o  874.957  123.955   12.487   3.3010   13.405   5.2747   11.896   4.2322  884.609  195.621  841.014  166.603 43.59430 256.9521 
1 1 1  -31   13   22 o  2216.05  104.609   78.264   7.2588   78.596   13.542   78.130   8.5984  2161.61  202.432  2202.52  125.191 -40.91187 238.0162 
1 1 1  -31   13   24 o  717.306  155.472   8.7036   3.3912   5.7208   6.7106   9.7266   3.9300  638.726  242.817  754.851  170.318 -116.1246 296.5943 
1 1 1  -31   13   26 o  453.123  166.502   2.8478   3.1008   7.4209   6.9415   1.7078   3.4658  682.316  249.363  426.103  170.785 256.2133 302.2401 
1 1 1  -31   13   28 o  1453.36   90.675   33.857   4.1059   35.792   6.0221   32.175   5.6127  1475.94  131.688  1399.93  129.508 76.01453 184.6994 
1 1 1  -31   13   30 o  1384.51   94.353   30.923   4.0660   28.170   6.2760   32.914   5.3377  1287.03  159.122  1415.07  121.647 -128.0463 200.2942 
1 1 1  -31   13   32 o  897.390  132.447   13.614   3.6098   12.178   6.5657   14.237   4.3216  789.787  242.339  904.485  158.360 -114.6979 289.4930 
1 1 1  -31   13   34 o  1409.87   92.096   32.363   4.0433   36.026   5.9481   29.216   5.5130  1459.58  131.560  1309.85  136.417 149.7307 189.5196 
1 1 1  -31   13   36 o  889.830  120.490   13.492   3.2708   14.593   4.6422   12.408   4.6093  890.510  172.715  809.868  185.721 80.64240 253.6191 
1 1 1  -31   13   38 o  1845.67   90.986   55.995   5.2583   58.425   7.4715   53.609   7.4017  1836.15  130.808  1751.80  136.004 84.34717 188.6999 
1 1 1  -31   13   40 o  1069.61  115.073   19.765   3.7934   18.814   5.3898   20.698   5.3399  978.966  182.542  1041.93  169.502 -62.96198 249.1030 
1 1 1  -31   13   42 o  1874.40   92.320   58.996   5.4185   53.692   7.4913   64.816   7.8468  1709.47  141.215  1894.14  133.148 -184.6656 194.0876 
1 1 1  -31   13   44 o  467.263  184.035   4.4117   3.9574   24.608   6.7642  -6.0985   4.8796  1029.51  216.688  304.468  149.399 725.0378 263.1993 
1 1 1  -31   13   46 o  560.907  182.198   7.3396   3.6627   10.049   4.4392   1.5618   6.4825  635.869  199.960  421.399  197.134 214.4697 280.7952 
1 1 1  -31   13   48 o  1481.09  116.796   41.331   5.3726   39.357   6.5228   45.496   9.4746  1360.83  155.889  1226.45  255.028 134.3822 298.8987 
1 1 1  -31   14    1 o  779.732  185.928   10.312   4.4756   10.312   4.4756   0.0000   0.0000  779.732  185.928  ?   ?  0.000000 185.9285 
1 1 1  -31   14    3 o  663.281  184.528   7.3934   3.9723   7.3934   3.9723   0.0000   0.0000  663.281  184.528  ?   ?  0.000000 184.5277 
1 1 1  -31   14    5 o  664.584  243.949   6.2997   6.6538   6.2997   6.6538   0.0000   0.0000  664.584  243.949  ?   ?  0.000000 243.9492 
1 1 1  -31   14    7 o  435.754  181.577   0.8686   4.1111   0.8686   4.1111   0.0000   0.0000  435.754  181.577  ?   ?  0.000000 181.5774 
1 1 1  -31   14    9 o  462.533  162.013   3.1029   2.8972   0.0836   3.8445   7.0708   4.4073  402.382  171.996  653.192  198.177 -250.8095 262.4055 
1 1 1  -31   14   11 f  723.227  160.868   8.7559   3.5489   5.7797   4.5910   13.175   5.5943  607.190  204.229  878.564  206.793 -271.3734 290.6418 
1 1 1  -31   14   13 o  586.309  161.958   5.7298   3.0718   6.0434   4.0988   5.3280   4.6395  609.037  192.222  591.803  205.150 17.23468 281.1329 
1 1 1  -31   14   15 o  1112.20  119.296   19.934   4.0897   19.026   5.3623   21.198   6.3231  1072.59  164.944  1125.87  185.845 -53.27454 248.4852 
1 1 1  -31   14   17 o  320.087  145.745  -1.8634   3.2132  -4.8196   4.1871   2.3715   5.0115  323.798  153.583  510.529  205.104 -186.7304 256.2330 
1 1 1  -31   14   19 o  1429.54  137.143   33.149   6.0635   19.257   9.0932   44.271   8.1364  1034.08  275.772  1644.14  160.074 -610.0626 318.8634 
1 1 1  -31   14   21 o  2057.39  101.640   67.365   6.5479   88.574   11.897   58.149   7.8426  2323.66  164.572  1896.34  132.918 427.3235 211.5446 
1 1 1  -31   14   23 o  1471.22  108.776   34.782   4.9755   41.813   9.1330   31.815   5.9333  1575.60  188.883  1396.00  137.522 179.6039 233.6435 
1 1 1  -31   14   25 o  1615.40   94.395   41.737   4.7539   40.153   7.0397   43.065   6.4456  1561.88  145.623  1627.03  127.538 -65.15369 193.5768 
1 1 1  -31   14   27 f  1291.37   97.212   26.841   3.9020   21.102   5.6497   32.076   5.3957  1114.45  167.048  1400.71  124.314 -286.2595 208.2287 
1 1 1  -31   14   29 o  419.660  154.114   2.4915   2.6560   10.127   3.9008  -4.1077   3.6265  761.620  168.071  298.257  141.896 463.3628 219.9597 
1 1 1  -31   14   31 o  302.710  136.065  -0.9696   2.6944  -2.8822   4.5111   0.0910   3.3594  361.143  167.422  366.938  158.848 -5.794708 230.7876 
1 1 1  -31   14   33 o  624.152  158.464   6.9445   3.1025   13.536   4.5552   1.2406   4.2373  868.180  173.631  430.398  182.143 437.7825 251.6422 
1 1 1  -31   14   35 o  409.771  164.784   1.9409   3.2383   0.1155   3.9804   5.5137   5.5688  388.603  170.481  569.156  219.977 -180.5530 278.3048 
1 1 1  -31   14   37 o  1118.20  128.079   21.528   4.4036   17.230   5.4777   29.381   7.4043  948.937  190.963  1237.82  197.685 -288.8799 274.8565 
1 1 1  -31   14   39 o  619.876  174.480   7.4576   3.5299   7.8923   4.3087   6.5705   6.1555  623.563  197.113  576.257  228.708 47.30585 301.9286 
1 1 1  -31   14   41 o  965.942  140.320   16.975   4.1200   15.152   5.0234   20.722   7.2011  861.790  191.160  942.261  242.612 -80.47076 308.8732 
1 1 1  -31   14   43 o  525.888  180.680   5.7763   3.5948   8.9430   4.3612  -0.9356   6.3493  633.655  198.021  413.355  193.920 220.3006 277.1592 
1 1 1  -31   14   45 o  513.695  202.487   6.1911   4.7944   7.5397   7.2048   5.1193   6.4229  533.098  231.702  489.672  215.646 43.42633 316.5265 
1 1 1  -31   14   47 o  790.027  200.085   15.225   4.9549   15.225   4.9549   0.0000   0.0000  790.027  200.085  ?   ?  0.000000 200.0847 
1 1 1  -31   15    2 o  586.844  176.628   5.6892   3.5112   6.1948   4.0877   4.2663   6.8575  614.010  191.683  615.249  242.278 -1.238403 308.9352 
1 1 1  -31   15    4 o  493.595  188.739   2.8945   4.0693   2.8945   4.0693   0.0000   0.0000  493.595  188.739  ?   ?  0.000000 188.7388 
1 1 1  -31   15    6 o  1114.75  152.751   20.347   5.1916   16.764   8.1064   22.838   6.7598  977.382  260.248  1168.70  191.344 -191.3140 323.0192 
1 1 1  -31   15    8 o  760.208  149.087   9.5906   3.4220   12.368   4.5083   5.8152   5.2563  859.113  173.563  621.037  218.187 238.0768 278.8007 
1 1 1  -31   15   10 o  930.023  132.263   14.087   3.7432   14.969   4.7300   12.609   6.1229  949.781  165.034  855.782  225.376 93.99854 279.3393 
1 1 1  -31   15   12 o  881.526  140.317   12.748   3.7433   9.1727   4.6795   19.102   6.2380  734.933  198.621  1065.35  194.150 -330.4180 277.7490 
1 1 1  -31   15   14 o  537.771  168.327   4.6796   3.1499   5.7426   4.1224   3.1886   4.8826  596.982  193.242  529.622  205.620 67.36053 282.1733 
1 1 1  -31   15   16 o  382.884  166.049  -0.3198   3.6841  -1.6625   5.4527   0.8080   4.9972  438.541  195.591  470.674  198.418 -32.13284 278.6133 
1 1 1  -31   15   18 o  1244.97  140.526   25.259   5.3823   30.106   8.3370   21.795   7.0477  1332.77  206.450  1130.05  206.797 202.7255 292.2094 
1 1 1  -31   15   20 o  1604.76  131.068   41.691   6.5286   37.151   9.2523   46.194   9.2134  1479.66  205.221  1666.72  179.362 -187.0580 272.5554 
1 1 1  -31   15   22 o  1027.79  125.947   17.242   3.9685   14.592   4.8357   22.709   6.9450  927.862  172.798  1150.16  200.108 -222.2977 264.3905 
1 1 1  -31   15   24 o  1489.97  104.382   35.696   4.8391   31.912   6.0169   42.626   8.1429  1393.88  139.738  1598.89  165.018 -205.0060 216.2352 
1 1 1  -31   15   26 o  896.838  136.987   13.406   3.7248   10.749   4.5571   18.753   6.4656  782.257  188.310  1029.04  207.817 -246.7777 280.4439 
1 1 1  -31   15   28 o  297.661  135.738  -1.5279   2.8004  -0.9699   3.7233  -2.2548   4.2494  362.482  161.649  362.856  166.129 -0.3738098 231.7960 
1 1 1  -31   15   30 f  1516.83  129.017   38.150   6.0695   36.881   8.3820   39.548   8.8006  1446.48  189.631  1496.08  192.314 -49.60815 270.0823 
1 1 1  -31   15   32 o  645.183  179.586   7.5369   3.7614   8.7803   4.7623   5.4749   6.1328  686.498  205.495  590.308  230.094 96.19006 308.4992 
1 1 1  -31   15   34 o  1344.01  115.020   30.056   4.7939   29.217   5.9393   31.623   8.1204  1300.16  148.557  1300.29  206.335 -0.1300049 254.2505 
1 1 1  -31   15   36 o  538.764  176.661   5.2822   3.4405   1.1711   4.5547   10.745   5.2502  432.214  186.035  733.320  214.830 -301.1059 284.1844 
1 1 1  -31   15   38 o  403.003  164.789   1.8588   3.3013   5.0266   4.0028  -4.8799   5.8381  524.580  189.716  372.806  178.100 151.7743 260.2149 
1 1 1  -31   15   40 o  1308.56  120.629   29.625   4.8870   22.529   5.9494   44.344   8.5691  1077.79  182.820  1513.28  184.672 -435.4894 259.8595 
1 1 1  -31   15   42 o  650.545  179.268   8.6344   3.7688   8.1988   4.5316   9.6116   6.7873  613.419  202.825  624.500  242.438 -11.08112 316.0925 
1 1 1  -31   15   44 f  598.532  203.983   8.3130   4.5805   8.3130   4.5805   0.0000   0.0000  598.532  203.983  ?   ?  0.000000 203.9829 
1 1 1  -31   15   46 o  475.673  217.330   4.5147   7.2224   4.5147   7.2224   0.0000   0.0000  475.673  217.330  ?   ?  0.000000 217.3301 
1 1 1  -31   16    1 o  920.927  164.497   14.169   4.5695   16.469   5.3053   7.5581   8.9934  989.920  177.685  734.043  280.608 255.8774 332.1339 
1 1 1  -31   16    3 o  1118.43  104.539   20.046   3.6186   19.155   5.5445   20.707   4.7760  1072.98  170.747  1127.47  138.174 -54.49146 219.6510 
1 1 1  -31   16    5 o  522.518  165.857   4.3867   3.0482   2.5527   4.5532   5.8764   4.1034  499.507  197.190  601.485  192.596 -101.9773 275.6396 
1 1 1  -31   16    7 o  486.241  173.530   3.3701   3.3369   10.155   7.0134   1.3847   3.7938  777.287  252.096  435.188  177.153 342.0993 308.1165 
1 1 1  -31   16    9 o  540.721  167.318   4.7546   3.1223   7.8797   4.3903   1.5563   4.4414  683.315  195.376  467.532  191.152 215.7831 273.3329 
1 1 1  -31   16   11 o  638.332  156.218   6.8376   3.0970   5.9922   4.3026   7.7466   4.4614  608.928  197.452  678.166  197.854 -69.23834 279.5238 
1 1 1  -31   16   13 f  330.740  149.973  -1.7702   3.3577  -0.2150   6.4550  -2.3470   3.9314  506.010  219.621  351.532  160.507 154.4786 272.0221 
1 1 1  -31   16   15 o  622.296  181.201   6.4935   3.7453   0.6444   7.1386   8.7150   4.3994  545.315  233.764  714.909  192.321 -169.5948 302.7098 
1 1 1  -31   16   17 o  491.455  182.202   3.2311   3.7276   0.4303   5.8458   5.1503   4.8391  493.922  211.632  586.477  209.006 -92.55554 297.4411 
1 1 1  -31   16   19 o  461.593  169.084   2.9191   3.1941   3.2969   3.9254   2.1788   5.4952  498.924  186.575  519.094  212.472 -20.16949 282.7627 
1 1 1  -31   16   21 o  1904.44  104.951   58.091   6.2343   48.733   7.6573   76.491   10.737  1727.09  142.877  2155.19  160.250 -428.0933 214.6949 
1 1 1  -31   16   23 o  301.007  135.600  -1.1867   2.6934  -2.4917   3.4569   0.8295   4.2967  319.212  147.480  436.457  183.989 -117.2446 235.8018 
1 1 1  -31   16   25 o  647.039  170.937   7.2444   3.5150   7.2320   4.3393   7.2681   5.9946  645.695  196.809  660.853  232.932 -15.15839 304.9443 
1 1 1  -31   16   27 o  305.289  138.733  -1.4619   2.8933  -2.9665   3.7173   0.8502   4.6081  322.933  150.475  445.128  189.234 -122.1957 241.7690 
1 1 1  -31   16   29 o  680.963  182.322   8.2603   3.9649   8.0090   5.1070   8.6416   6.2907  667.430  214.983  692.211  238.944 -24.78064 321.4218 
1 1 1  -31   16   31 o  512.341  178.187   4.3228   3.5015   6.7196   4.7489   1.4674   5.1833  615.155  207.708  473.170  200.915 141.9849 288.9798 
1 1 1  -31   16   33 o  435.094  171.590   2.3559   3.4445   1.5426   4.2588   3.8942   5.8571  439.261  184.068  542.584  220.408 -103.3229 287.1595 
1 1 1  -31   16   35 o  410.371  169.314   1.6028   3.5242  -1.5324   4.3812   7.3506   5.9321  372.511  169.836  626.079  230.259 -253.5672 286.1181 
1 1 1  -31   16   37 o  574.787  187.831   6.2187   3.8905   1.6321   4.8573   14.427   6.4981  450.313  192.927  826.170  238.136 -375.8568 306.4795 
1 1 1  -31   16   39 o  595.875  202.808   7.0828   4.5278   7.0828   4.5278   0.0000   0.0000  595.875  202.808  ?   ?  0.000000 202.8079 
1 1 1  -31   16   41 o  973.554  176.154   18.324   5.1722   18.324   5.1722   0.0000   0.0000  973.554  176.154  ?   ?  0.000000 176.1537 
1 1 1  -31   16   43 o  674.841  215.773   10.504   5.1518   10.504   5.1518   0.0000   0.0000  674.841  215.773  ?   ?  0.000000 215.7728 
1 1 1  -31   16   45 o  548.033  208.381   7.1689   4.9428   7.1689   4.9428   0.0000   0.0000  548.033  208.381  ?   ?  0.000000 208.3806 
1 1 1  -31   17    2 o  974.070  120.717   15.394   3.6030   15.335   5.3758   15.441   4.8549  950.576  187.271  960.871  167.447 -10.29437 251.2147 
1 1 1  -31   17    4 o  267.078  126.227  -3.1000   2.7805  -8.8831   4.0506   2.0535   3.8238  266.966  131.970  456.013  180.488 -189.0465 223.5890 
1 1 1  -31   17    6 o  549.307  179.928   4.8054   3.5693   7.9009   4.6843   0.5203   5.5114  684.026  203.591  484.281  206.441 199.7451 289.9432 
1 1 1  -31   17    8 o  344.334  154.778  -1.4864   3.4866  -8.0525   7.0337   0.6526   4.0146  414.932  197.464  424.028  178.251 -9.096588 266.0179 
1 1 1  -31   17   10 o  623.096  185.204   6.4868   3.8783   7.8035   6.6757   5.8160   4.7650  702.620  245.941  609.051  208.047 93.56927 322.1347 
1 1 1  -31   17   12 o  292.690  138.713  -3.9094   3.4019   0.2230   6.7956  -5.2913   3.9297  525.567  226.723  302.536  144.956 223.0304 269.1019 
1 1 1  -31   17   14 o  463.101  194.689   0.8949   4.7898  -6.2476   6.1912   11.543   7.5593  400.246  188.918  816.837  261.392 -416.5912 322.5142 
1 1 1  -31   17   16 o  1131.70  109.359   20.609   3.8270   21.806   5.2610   19.263   5.5772  1151.48  149.437  1072.99  171.794 78.49365 227.6945 
1 1 1  -31   17   18 o  686.492  154.246   7.9557   3.2348   8.9401   4.6032   6.9953   4.5467  720.098  197.994  645.274  202.275 74.82404 283.0496 
1 1 1  -31   17   20 o  939.880  120.604   14.411   3.4675   10.928   4.7855   18.261   5.0312  793.620  194.167  1045.98  158.588 -252.3578 250.7010 
1 1 1  -31   17   22 o  443.057  166.636   2.5458   3.1400   0.5171   3.7887   6.9958   5.6113  405.935  172.035  652.494  225.647 -246.5590 283.7476 
1 1 1  -31   17   24 f  982.969  114.662   15.761   3.4629   10.343   4.8309   21.488   4.9663  765.383  199.530  1138.40  142.441 -373.0182 245.1567 
1 1 1  -31   17   26 o  435.837  158.428   2.7232   2.7965   11.005   4.0064  -5.1453   3.9052  798.932  165.591  299.617  143.807 499.3146 219.3196 
1 1 1  -31   17   28 o  478.824  175.490   3.3732   3.4414   6.0047   5.6766   1.8440   4.3273  611.282  225.183  458.576  188.221 152.7054 293.4865 
1 1 1  -31   17   30 o  678.789  154.003   8.0174   3.1982   8.2303   4.4111   7.7815   4.6436  674.652  196.708  656.737  204.184 17.91534 283.5226 
1 1 1  -31   17   32 o  631.627  185.721   7.2173   3.9175   9.5303   4.8504   2.8780   6.6436  715.405  205.605  542.874  228.814 172.5309 307.6190 
1 1 1  -31   17   34 o  1207.55  128.800   24.589   4.7950   15.548   5.5608   50.800   9.4681  911.886  200.234  1684.63  182.403 -772.7415 270.8592 
1 1 1  -31   17   36 o  291.696  140.684  -4.9807   3.8478  -6.2985   4.5861  -1.8471   7.0718  311.139  150.926  460.798  212.198 -149.6585 260.3976 
1 1 1  -31   17   38 o  698.618  196.807   9.5779   4.4892   9.5379   5.3356   9.6746   8.3059  682.877  219.719  672.163  266.020 10.71356 345.0255 
1 1 1  -31   17   40 o  583.511  196.638   6.7726   4.2561   13.314   5.0023 -10.3787   8.0998  814.344  198.077  388.698  191.084 425.6460 275.2228 
1 1 1  -31   17   42 o  585.740  192.755   7.1039   4.0945   2.5554   4.5864   24.961   9.0876  446.498  189.258  974.572  281.819 -528.0740 339.4711 
1 1 1  -31   18    1 o  710.042  163.954   8.5281   3.5715   3.4377   5.1704   13.174   4.9393  542.763  211.351  879.423  185.222 -336.6602 281.0276 
1 1 1  -31   18    3 o  864.559  145.826   12.374   3.8073   7.1795   5.4125   17.462   5.3565  663.835  221.758  1020.80  173.810 -356.9617 281.7561 
1 1 1  -31   18    5 o  568.681  170.718   5.3564   3.2833   4.9949   4.6110   5.7282   4.6762  576.985  204.191  603.593  206.101 -26.60791 290.1237 
1 1 1  -31   18    7 o  787.956  180.016   10.551   4.3443   13.308   8.4236   9.5521   5.0706  870.875  275.639  746.021  208.816 124.8539 345.8051 
1 1 1  -31   18    9 o  772.513  198.031   10.240   4.8126   11.147   8.0153   9.7293   6.0181  809.430  269.849  754.364  232.105 55.06628 355.9371 
1 1 1  -31   18   11 o  759.056  179.592   9.8045   4.2019   20.595   8.0247   5.7286   4.9321  1082.19  242.787  608.171  211.480 474.0240 321.9773 
1 1 1  -31   18   13 o  582.737  163.684   5.6954   3.1099   3.8787   4.1125   8.1219   4.7529  525.702  191.966  691.091  204.935 -165.3892 280.8015 
1 1 1  -31   18   15 o  750.802  182.129   9.6387   4.2379   11.645   4.8311   2.9402   8.8271  823.650  191.029  634.306  265.338 189.3441 326.9499 
1 1 1  -31   18   17 o  624.925  158.375   6.6112   3.1030   5.5044   4.1518   8.0117   4.6705  584.176  194.187  684.492  203.190 -100.3162 281.0602 
1 1 1  -31   18   19 o  645.779  167.130   7.1087   3.4056   1.4885   4.7233   13.194   4.9148  472.441  195.557  876.918  184.819 -404.4775 269.0742 
1 1 1  -31   18   21 o  604.143  182.871   6.1800   3.7559   0.9128   4.7511   14.957   6.1331  457.970  193.289  919.877  216.524 -461.9074 290.2467 
1 1 1  -31   18   23 o  977.095  124.950   15.665   3.7353   17.747   5.2384   13.512   5.3278  1022.77  169.506  877.854  198.481 144.9175 261.0113 
1 1 1  -31   18   25 o  821.315  170.808   11.631   4.2496   13.513   5.0276   6.9217   7.9525  879.242  188.291  679.803  262.837 199.4393 323.3211 
1 1 1  -31   18   27 o  330.651  150.504  -1.7258   3.4228   1.4528   3.8477 -13.7781   7.4924  430.732  177.220  370.748  182.553 59.98343 254.4260 
1 1 1  -31   18   29 o  369.876  164.387  -0.8096   3.8166  -1.3580   4.7246   0.2205   6.4752  400.665  180.128  495.855  217.489 -95.19040 282.3959 
1 1 1  -31   18   31 o  872.710  154.893   13.148   4.0777   13.172   4.9126   13.096   7.3116  855.683  188.446  817.155  256.567 38.52740 318.3373 
1 1 1  -31   18   33 o  347.512  159.867  -2.1659   4.0000  -1.6880   4.5132  -3.9161   8.6373  380.205  172.968  491.453  229.123 -111.2476 287.0807 
1 1 1  -31   18   35 o  641.433  196.701   7.6862   4.3263   11.589   5.0368  -3.2943   8.4488  780.606  203.851  486.702  226.808 293.9032 304.9544 
1 1 1  -31   18   37 o  918.085  172.594   15.387   4.7795   7.1933   5.6379   36.321   9.0112  615.461  224.761  1369.14  217.463 -753.6819 312.7416 
1 1 1  -31   18   39 o  508.125  192.605   4.4193   4.2144   0.0428   4.8582   17.727   8.4715  413.820  184.589  862.163  276.800 -448.3423 332.7029 
1 1 1  -31   18   41 o  521.988  197.254   5.0773   4.4118   0.3942   5.1539   17.916   8.5336  422.375  189.138  834.885  278.443 -412.5098 336.6061 
1 1 1  -31   19    2 o  526.985  177.452   4.3328   3.4661   2.0828   4.5322   7.5026   5.3794  483.771  194.805  674.202  220.893 -190.4310 294.5209 
1 1 1  -31   19    4 o  482.575  188.156   2.5710   4.1018  -2.9367   8.4108   4.2897   4.6984  529.670  239.021  555.688  204.840 -26.01813 314.7866 
1 1 1  -31   19    6 o  580.237  197.471   5.2690   4.2927   3.8994   8.5598   5.7291   4.9617  648.669  265.308  609.031  212.094 39.63733 339.6650 
1 1 1  -31   19    8 o  435.139  180.195   1.0825   4.0129  -2.4254   8.2456   2.1712   4.5936  531.609  238.560  488.937  196.388 42.67181 308.9969 
1 1 1  -31   19   10 o  637.775  166.407   6.8700   3.3583   3.7072   4.2997   11.817   5.3777  525.677  195.526  827.210  207.870 -301.5332 285.3776 
1 1 1  -31   19   12 o  524.330  173.889   4.3376   3.3299   3.7989   4.5108   4.9828   4.9362  534.432  199.975  583.353  210.724 -48.92114 290.5073 
1 1 1  -31   19   14 o  1005.99  124.277   16.454   3.8315   16.883   5.1556   15.923   5.7265  1003.90  170.082  964.657  196.260 39.24396 259.7035 
1 1 1  -31   19   16 o  802.505  176.913   10.971   4.3259   8.3163   4.9959   18.925   8.6476  697.761  210.839  1022.38  267.165 -324.6152 340.3386 
1 1 1  -31   19   18 o  417.075  172.452   1.0559   3.6673   2.7858   4.0100  -7.7875   9.0667  484.014  186.780  488.779  230.071 -4.764496 296.3429 
1 1 1  -31   19   20 o  456.335  184.990   1.7826   4.1167   1.7826   4.1167   0.0000   0.0000  456.335  184.990  ?   ?  0.000000 184.9896 
1 1 1  -31   19   22 o  932.976  156.222   14.619   4.4025   17.168   5.0765   6.8845   8.8421  1008.41  166.587  702.076  275.544 306.3370 321.9874 
1 1 1  -31   19   24 o  ?   ?  -13.0742   3.1022 -11.5556   3.3505 -22.1958   8.2115  205.430  103.984  344.846  173.133 -139.4164 201.9597 
1 1 1  -31   19   26 o  280.958  135.835  -5.4565   3.6404  -7.7554   4.1987   1.5053   7.3066  283.736  139.096  551.618  236.483 -267.8819 274.3576 
1 1 1  -31   19   28 o  419.271  173.545   1.2522   3.7197   1.1121   4.2042   1.7571   7.9808  435.383  182.686  570.288  245.858 -134.9054 306.3011 
1 1 1  -31   19   30 o  498.402  213.046   1.3407   5.8990   9.3162   7.8496  -9.0084   8.9416  721.073  264.922  456.956  218.869 264.1171 343.6379 
1 1 1  -31   19   32 o  1101.75  151.257   20.727   5.0804   21.441   6.0444   19.010   9.3772  1101.73  181.534  955.243  288.905 146.4918 341.2053 
1 1 1  -31   19   34 o  658.364  190.888   7.9570   4.1643   2.2953   4.7448   26.942   8.6887  475.942  196.423  1174.72  244.179 -698.7794 313.3773 
1 1 1  -31   19   36 o  880.241  171.960   13.987   4.5697   8.2363   5.2631   31.601   9.2108  655.843  218.667  1261.85  241.918 -606.0109 326.0975 
1 1 1  -31   19   38 o  520.101  191.722   4.6498   4.1159   0.3145   4.6345   20.834   8.9545  415.962  183.183  953.772  280.887 -537.8103 335.3410 
1 1 1  -31   20    1 o  484.769  189.829   2.5441   4.1888   8.2270   9.0448   0.9925   4.7262  748.912  282.574  462.911  193.938 286.0009 342.7248 
1 1 1  -31   20    3 o  523.860  204.473   3.0887   4.8481   3.3197   8.8588   2.9900   5.7925  645.367  267.533  551.378  220.863 93.98920 346.9211 
1 1 1  -31   20    5 o  619.233  201.868   6.2300   4.4948   0.5076   9.1536   8.0481   5.1596  605.390  262.141  692.106  215.239 -86.71582 339.1844 
1 1 1  -31   20    7 o  433.727  181.727   0.7970   4.1504   2.0405   4.4634  -7.1486   11.282  480.676  193.403  569.735  264.352 -89.05893 327.5465 
1 1 1  -31   20    9 o  365.155  164.921  -1.8644   4.0140  -4.7093   4.3154   16.393   10.932  331.962  157.003  956.623  314.971 -624.6610 351.9323 
1 1 1  -31   20   11 o  719.052  188.096   8.8221   4.2836   14.848   4.6192 -28.1799   11.446  943.970  162.117  421.286  210.468 522.6844 265.6667 
1 1 1  -31   20   13 o  478.536  189.942   2.2740   4.2460   3.2273   4.6034  -3.1591   10.990  519.465  200.217  604.798  273.046 -85.33289 338.5870 
1 1 1  -31   20   15 o  694.592  193.640   8.2461   4.3696   7.5829   4.7572   11.826   11.052  670.418  206.376  850.138  314.012 -179.7204 375.7590 
1 1 1  -31   20   17 o  734.962  187.257   9.2747   4.3217   9.1058   4.7080   10.179   10.894  726.864  200.391  811.613  309.179 -84.74854 368.4404 
1 1 1  -31   20   19 o  504.239  190.290   3.3158   4.1022   3.3158   4.1022   0.0000   0.0000  504.239  190.290  ?   ?  0.000000 190.2895 
1 1 1  -31   20   21 o  545.149  191.960   4.5477   4.0702   7.5117   4.5586  -7.1046   9.0386  662.650  201.664  493.272  231.399 169.3782 306.9425 
1 1 1  -31   20   23 o  535.687  191.633   4.3234   4.0718   8.3464   4.4799 -14.7858   9.7637  692.906  197.098  445.411  216.999 247.4955 293.1488 
1 1 1  -31   20   25 o  697.506  199.047   8.5268   4.5614   10.348   5.1386   1.7604   9.9057  763.716  208.863  627.352  272.174 136.3646 343.0779 
1 1 1  -31   20   27 o  365.879  163.026  -1.0143   3.7784  -5.9765   4.2570   17.405   8.2016  307.573  148.252  958.367  264.604 -650.7943 303.3050 
1 1 1  -31   20   29 o  691.585  191.532   8.4940   4.2898   4.7336   4.7801   24.056   9.7240  558.144  206.445  1109.46  279.919 -551.3168 347.8132 
1 1 1  -31   20   31 o  517.294  197.796   3.7646   4.4691   6.4058   5.0627  -5.5598   9.5124  612.726  214.193  507.890  237.978 104.8362 320.1755 
1 1 1  -31   20   33 o  556.460  197.121   5.1670   4.2983   6.7971   4.7839  -1.6614   9.7910  618.574  208.473  553.037  252.819 65.53662 327.6870 
1 1 1  -31   20   35 o  609.101  208.960   6.6972   4.8074   6.6972   4.8074   0.0000   0.0000  609.101  208.960  ?   ?  0.000000 208.9600 
1 1 1  -31   21    2 o  547.103  240.310  -0.7903   7.9303  -7.4511   9.6333   13.215   13.969  515.978  241.031  915.115  349.744 -399.1368 424.7549 
1 1 1  -31   21    4 o  496.219  196.301   2.4955   4.5210   2.1011   4.7747   5.9131   14.055  494.440  199.650  800.552  334.842 -306.1121 389.8447 
1 1 1  -31   21    6 o  870.805  298.527   12.920   9.8111   12.920   9.8111   0.0000   0.0000  870.805  298.527  ?   ?  0.000000 298.5267 
1 1 1  -31   21    8 o  551.212  201.254   4.2643   4.5199   6.0094   4.8141  -8.7191   13.131  616.897  209.126  606.792  282.766 10.10419 351.6963 
1 1 1  -31   21   10 o  549.868  200.407   4.2622   4.4791   4.0806   4.7591   5.6709   13.254  551.565  205.598  781.691  325.902 -230.1252 385.3347 
1 1 1  -31   21   12 o  1178.98  167.507   23.029   6.0099   23.029   6.0099   0.0000   0.0000  1178.98  167.507  ?   ?  0.000000 167.5065 
1 1 1  -31   21   14 o  381.276  167.673  -0.7618   3.8709   1.3540   4.0598 -21.9271   12.841  444.611  182.380  495.834  243.109 -51.22247 303.9147 
1 1 1  -31   21   16 o  521.806  193.683   3.6856   4.2147   3.4565   4.4722   5.5049   12.603  522.067  198.283  761.189  317.618 -239.1223 374.4290 
1 1 1  -31   21   18 o  329.829  154.020  -3.4675   3.9280  -4.4471   4.1523   4.8704   12.114  326.365  154.249  739.034  310.103 -412.6697 346.3477 
1 1 1  -31   21   20 o  652.756  198.246   7.2301   4.4087   8.3309   4.7642   0.6686   11.632  696.216  204.839  664.736  291.529 31.48029 356.2980 
1 1 1  -31   21   22 o  760.278  194.028   10.034   4.6345   10.462   5.0710   7.8662   11.418  773.648  205.758  767.857  309.197 5.791748 371.4014 
1 1 1  -31   21   24 o  456.816  185.345   1.8144   4.1364  -0.5814   4.5092   14.531   10.389  413.006  181.313  887.722  307.024 -474.7160 356.5643 
1 1 1  -31   21   26 o  503.564  200.536   2.7591   4.7473   1.9664   5.3394   5.7504   10.372  502.622  207.974  702.292  290.169 -199.6704 357.0034 
1 1 1  -31   21   28 o  529.586  195.922   4.0976   4.3056   0.9731   4.7519   18.427   10.176  455.410  192.816  965.948  302.589 -510.5382 358.8007 
1 1 1  -31   21   30 f  643.911  206.123   7.2731   4.7003   4.6649   5.2764   17.298   10.345  566.313  215.306  925.492  306.467 -359.1784 374.5384 
1 1 1  -31   21   32 o  919.019  189.597   15.061   5.2749   14.237   6.0035   17.852   11.047  876.158  219.335  919.263  316.684 -43.10553 385.2225 
1 1 1  -31   22    1 o  536.495  208.419   3.2984   5.0188   3.6538   5.3500   0.6914   14.489  556.664  215.482  741.785  325.347 -185.1204 390.2350 
1 1 1  -31   22    3 o  638.434  218.152   6.4095   5.2391   3.1302   5.6284   27.683   14.335  551.501  218.756  1210.97  355.051 -659.4662 417.0316 
1 1 1  -31   22    5 o  954.566  205.519   15.565   5.9612   11.238   6.3967   44.128   16.436  807.941  237.254  1536.70  349.472 -728.7553 422.3976 
1 1 1  -31   22    7 o  941.790  191.867   15.023   5.4660   15.023   5.4660   0.0000   0.0000  941.790  191.867  ?   ?  0.000000 191.8668 
1 1 1  -31   22    9 o  665.655  199.490   7.4225   4.4860   5.9342   4.7035   22.410   14.926  613.141  206.714  1099.07  368.251 -485.9269 422.3030 
1 1 1  -31   22   11 o  1145.96  389.363   24.923   16.689   0.0000   0.0000   24.923   16.689  ?   ?   1145.96  389.363 0.000000 389.3629 
1 1 1  -31   22   13 f  412.283  182.069  -1.0404   4.6098   1.0409   4.8135 -24.0851   16.017  468.569  195.967  567.711  276.878 -99.14249 339.2112 
1 1 1  -31   22   15 o  546.899  198.630   4.2511   4.3945   1.5074   4.6196   30.355   14.249  472.167  194.216  1262.07  348.901 -789.9000 399.3144 
1 1 1  -31   22   17 o  346.317  159.713  -2.8662   4.0270  -4.0312   4.2207   8.9538   13.444  337.039  158.114  831.383  335.254 -494.3443 370.6691 
1 1 1  -31   22   19 o  1134.95  165.017   21.416   5.6926   19.994   6.2427   28.439   13.869  1085.72  190.579  1212.58  347.433 -126.8633 396.2705 
1 1 1  -31   22   21 o  669.529  209.927   7.5808   4.8968   4.9279   5.3242   22.143   12.474  588.168  217.813  1074.59  334.748 -486.4207 399.3727 
1 1 1  -31   22   23 o  742.138  198.146   9.5665   4.6910   10.512   5.0900   4.2349   12.087  775.731  206.061  721.776  306.656 53.95477 369.4576 
1 1 1  -31   22   25 o  515.737  213.345   2.0341   5.6166   4.7114   6.4235  -6.6592   11.575  603.700  235.438  570.946  265.868 32.75299 355.1292 
1 1 1  -31   22   27 o  508.981  201.724   2.9120   4.7824   2.9120   4.7824   0.0000   0.0000  508.981  201.724  ?   ?  0.000000 201.7239 
1 1 1  -31   22   29 o  431.730  183.363   0.7213   4.3190   0.7620   4.6812   0.4884   11.198  447.468  190.491  633.083  281.460 -185.6152 339.8627 
1 1 1  -31   23    2 o  355.033  165.466  -3.8924   4.4986  -3.8924   4.4986   0.0000   0.0000  355.033  165.466  ?   ?  0.000000 165.4661 
1 1 1  -31   23    4 o  542.429  213.284   3.1405   5.3070   2.9355   5.6332   4.7580   15.825  547.555  218.325  823.313  350.359 -275.7581 412.8158 
1 1 1  -31   23    6 o  512.849  205.267   2.4288   4.9990   0.0000   5.2832   23.199   15.450  465.418  200.344  1120.79  374.661 -655.3686 424.8629 
1 1 1  -31   23    8 o  872.890  220.961   13.124   6.0450   9.6818   6.5302   33.735   15.980  760.342  242.911  1332.91  369.854 -572.5660 442.4900 
1 1 1  -31   23   10 o  594.579  212.449   5.1862   5.0030   6.4579   5.2767  -6.1256   15.738  641.513  218.936  699.422  320.032 -57.90924 387.7545 
1 1 1  -31   23   12 o  726.361  331.330  -5.4231   16.701   0.0000   0.0000  -5.4231   16.701  ?   ?   726.361  331.330 0.000000 331.3296 
1 1 1  -31   23   14 o  781.652  230.884   10.480   6.0421   12.087   6.5564   1.4194   15.563  834.985  238.764  772.979  338.155 62.00580 413.9529 
1 1 1  -31   23   16 o  672.226  216.642   7.4590   5.1856   8.6485   5.5402  -0.9512   14.731  716.382  223.077  725.805  322.749 -9.422546 392.3392 
1 1 1  -31   23   18 o  437.240  187.151   0.2095   4.5631   0.2095   4.5631   0.0000   0.0000  437.240  187.151  ?   ?  0.000000 187.1513 
1 1 1  -31   23   20 o  570.951  207.121   4.7324   4.7762   2.6014   5.1081   19.551   13.470  517.775  207.404  1024.33  349.801 -506.5532 406.6653 
1 1 1  -31   23   22 o  642.190  218.122   6.6779   5.2373   7.9581   5.7347   0.2438   12.856  690.276  228.165  688.804  304.127 1.472351 380.2006 
1 1 1  -31   23   24 o  449.744  196.360  -0.3791   5.2247   4.1468   5.7415 -22.1774   12.600  574.798  223.026  482.451  237.397 92.34677 325.7267 
1 1 1  -31   24    5 o  666.129  215.257   7.2185   5.1169   7.3320   5.3381   5.9336   17.962  672.873  220.024  878.268  373.496 -205.3948 433.4854 
1 1 1  -31   24    7 o  605.492  206.624   5.6700   4.7000   7.3105   4.9040 -12.8202   16.464  666.927  210.232  661.099  310.824 5.828125 375.2455 
1 1 1  -31   24    9 o  654.786  219.694   6.8088   5.3125   5.1745   5.5723   23.118   17.603  608.466  223.260  1127.81  398.979 -519.3395 457.1977 
1 1 1  -31   24   11 o  969.514  222.988   16.166   6.6283   14.469   7.2667   24.568   16.172  911.890  247.957  1149.82  383.306 -237.9293 456.5154 
1 1 1  -31   24   13 o  815.841  346.834   4.6714   15.480   0.0000   0.0000   4.6714   15.480  ?   ?   815.841  346.834 0.000000 346.8339 
1 1 1  -31   24   15 o  669.993  234.435   6.9543   6.0654   8.9815   6.5172  -6.1649   16.579  737.604  243.206  716.586  328.104 21.01776 408.4129 
1 1 1  -31   24   17 o  322.129  157.868 -10.1450   5.3952 -10.1450   5.3952   0.0000   0.0000  322.129  157.868  ?   ?  0.000000 157.8683 
1 1 1  -30    0    2 o  203.994  138.178  -1.2650   2.6214  -1.2650   2.6214  -1.2650   2.6214  203.994  138.178  203.994  138.178 -0.000000 0.000000 
1 1 1  -30    0    4 o  355.086  191.324   2.9191   2.9503   2.9191   2.9503   2.9191   2.9503  355.086  191.324  355.086  191.324 -0.000000 0.000000 
1 1 1  -30    0    6 o  427.861  220.088   4.3870   3.7631   4.3870   3.7631   4.3870   3.7631  427.861  220.088  427.861  220.088 -0.000000 0.000000 
1 1 1  -30    0    8 o  198.859  135.088  -1.3239   2.5426  -1.3239   2.5426  -1.3239   2.5426  198.859  135.088  198.859  135.088 -0.000000 0.000000 
1 1 1  -30    0   10 o  298.621  177.638   1.6090   2.9073   1.6090   2.9073   1.6090   2.9073  298.621  177.638  298.621  177.638 -0.000000 0.000000 
1 1 1  -30    0   12 o  595.000  194.927   7.2193   3.2193   7.2193   3.2193   7.2193   3.2193  595.000  194.927  595.000  194.927 -0.000000 0.000000 
1 1 1  -30    0   14 o  367.201  197.901   3.1323   3.1574   3.1323   3.1574   3.1323   3.1574  367.201  197.901  367.201  197.901 -0.000000 0.000000 
1 1 1  -30    0   16 o  766.890  189.131   10.945   3.9320   10.945   3.9320   10.945   3.9320  766.890  189.131  766.890  189.131 -0.000000 0.000000 
1 1 1  -30    0   18 o  1066.57  136.780   18.937   4.3622   18.937   4.3622   18.937   4.3622  1066.57  136.780  1066.57  136.780 -0.000000 0.000000 
1 1 1  -30    0   20 o  608.302  202.980   7.6089   3.4458   7.6089   3.4458   7.6089   3.4458  608.302  202.980  608.302  202.980 -0.000000 0.000000 
1 1 1  -30    0   22 o  1394.36  125.818   31.578   5.3904   31.578   5.3904   31.578   5.3904  1394.36  125.818  1394.36  125.818 -0.000000 0.000000 
1 1 1  -30    0   24 o  267.494  167.672   0.6922   2.9103   0.6922   2.9103   0.6922   2.9103  267.494  167.672  267.494  167.672 -0.000000 0.000000 
1 1 1  -30    0   26 o  470.740  252.639   5.3026   5.1254   5.3026   5.1254   5.3026   5.1254  470.740  252.639  470.740  252.639 -0.000000 0.000000 
1 1 1  -30    0   28 o  2073.57  120.654   68.857   7.7732   68.857   7.7732   68.857   7.7732  2073.57  120.654  2073.57  120.654 -0.000000 0.000000 
1 1 1  -30    0   30 o  1778.79  118.449   50.807   6.5303   50.807   6.5303   50.807   6.5303  1778.79  118.449  1778.79  118.449 -0.000000 0.000000 
1 1 1  -30    0   32 o  1810.36  175.251   54.106   9.7207   54.106   9.7207   54.106   9.7207  1810.36  175.251  1810.36  175.251 -0.000000 0.000000 
1 1 1  -30    0   36 o  564.777  261.120   7.6575   5.0928   7.6575   5.0928   7.6575   5.0928  564.777  261.120  564.777  261.120 -0.000000 0.000000 
1 1 1  -30    0   38 o  610.624  260.108   8.6734   5.0600   8.6734   5.0600   8.6734   5.0600  610.624  260.108  610.624  260.108 -0.000000 0.000000 
1 1 1  -30    0   40 o  1494.45  126.695   36.274   5.8306   36.274   5.8306   36.274   5.8306  1494.45  126.695  1494.45  126.695 -0.000000 0.000000 
1 1 1  -30    0   42 o  4056.02  162.027  266.909   20.503  266.909   20.503  266.909   20.503  4056.02  162.027  4056.02  162.027 -0.000000 0.000000 
1 1 1  -30    0   44 o  934.854  174.410   15.515   4.5842   15.515   4.5842   15.515   4.5842  934.854  174.410  934.854  174.410 -0.000000 0.000000 
1 1 1  -30    0   46 o  435.276  221.475   4.7323   3.7870   4.7323   3.7870   4.7323   3.7870  435.276  221.475  435.276  221.475 -0.000000 0.000000 
1 1 1  -30    0   48 o  1322.73  135.241   29.147   5.4672   29.147   5.4672   29.147   5.4672  1322.73  135.241  1322.73  135.241 -0.000000 0.000000 
1 1 1  -30    0   50 o  1709.44  130.747   48.131   6.9044   48.131   6.9044   48.131   6.9044  1709.44  130.747  1709.44  130.747 -0.000000 0.000000 
1 1 1  -30    0   52 o  516.674  229.747   6.5819   3.9335   6.5819   3.9335   6.5819   3.9335  516.674  229.747  516.674  229.747 -0.000000 0.000000 
1 1 1  -30    0   54 o  1233.27  211.739   27.957   7.4532   27.957   7.4532   27.957   7.4532  1233.27  211.739  1233.27  211.739 -0.000000 0.000000 
1 1 1  -30    0   56 o  2123.06  186.828   78.389   12.199   78.389   12.199   78.389   12.199  2123.06  186.828  2123.06  186.828 -0.000000 0.000000 
1 1 1  -30    1    1 o  1075.65  116.145   18.733   3.8498   26.687   5.6856   11.999   5.2317  1275.48  144.932  831.080  202.824 444.3961 249.2853 
1 1 1  -30    1    3 o  648.365  116.998   6.9290   2.2879   6.1993   3.2523   7.6439   3.2190  605.104  166.445  672.137  155.964 -67.03235 228.0980 
1 1 1  -30    1    5 o  1058.85   89.859   17.923   2.9512   18.894   4.1840   16.961   4.1632  1076.86  126.494  1017.09  133.982 59.76807 184.2602 
1 1 1  -30    1    7 o  417.124  138.854   2.6938   2.1225   1.9014   3.0157   3.4717   2.9879  415.438  161.512  477.556  164.685 -62.11771 230.6671 
1 1 1  -30    1    9 o  467.027  137.166   3.6001   2.1379   2.1737   2.9149   5.2608   3.1452  421.392  160.071  560.575  166.821 -139.1825 231.1972 
1 1 1  -30    1   11 o  1791.20   81.603   50.851   4.5769   49.536   6.5038   52.142   6.4420  1752.07  119.259  1799.66  114.917 -47.59180 165.6156 
1 1 1  -30    1   13 o  1232.21   86.845   24.226   3.3293   22.795   4.6843   25.686   4.7329  1181.92  128.651  1257.96  121.675 -76.03723 177.0754 
1 1 1  -30    1   15 o  1008.88   91.457   16.321   2.8578   16.381   4.0389   16.261   4.0441  998.140  132.503  994.164  133.266 3.976807 187.9281 
1 1 1  -30    1   17 o  633.839  123.590   6.6874   2.3648   8.5248   3.3751   4.9155   3.3143  708.062  156.402  545.268  172.933 162.7938 233.1679 
1 1 1  -30    1   19 o  1094.18   92.088   19.202   3.1257   20.684   4.4388   17.743   4.4023  1123.78  128.452  1035.78  139.267 88.00623 189.4598 
1 1 1  -30    1   21 o  1305.92   89.691   27.288   3.6454   23.611   5.0779   31.197   5.2364  1196.63  138.054  1384.55  122.032 -187.9169 184.2574 
1 1 1  -30    1   23 o  731.577  117.157   8.8365   2.5932   11.354   4.0123   7.0309   3.3984  814.688  162.977  638.202  167.823 176.4861 233.9365 
1 1 1  -30    1   25 o  1852.94   83.596   54.676   4.8502   57.402   6.9570   52.099   6.7655  1879.09  118.850  1788.34  121.540 90.75110 169.9922 
1 1 1  -30    1   27 o  2909.53  109.539  136.779   9.9795  136.436   17.513  136.945   12.144  2799.85  201.098  2888.87  134.251 -89.01318 241.7925 
1 1 1  -30    1   29 o  2551.16   89.671  104.281   7.1632  104.182   10.146  104.379   10.114  2516.38  129.203  2519.27  128.647 -2.893555 182.3278 
1 1 1  -30    1   31 o  880.120  122.294   12.907   3.2792   13.803   4.0292   11.149   5.6433  898.615  148.376  771.959  221.750 126.6559 266.8114 
1 1 1  -30    1   33 o  2963.15  209.154  158.765   19.281  158.765   19.281   0.0000   0.0000  2963.15  209.154  ?   ?  0.000000 209.1543 
1 1 1  -30    1   35 o  2126.61  184.182   80.269   12.143   0.0000   0.0000   80.269   12.143  ?   ?   2126.61  184.182 0.000000 184.1819 
1 1 1  -30    1   37 o  1268.47  133.294   27.316   5.2151   27.439   7.4826   27.200   7.2724  1212.12  204.420  1212.22  198.463 -0.9375000E-01 284.9119 
1 1 1  -30    1   39 o  1026.05  118.101   17.817   3.7251   25.120   6.6240   14.439   4.5050  1159.39  188.974  889.846  167.838 269.5394 252.7464 
1 1 1  -30    1   41 o  1655.29  127.005   47.483   6.5326   51.917   9.1251   42.823   9.3562  1656.51  178.758  1457.09  211.226 199.4164 276.7144 
1 1 1  -30    1   43 o  421.283  150.341   3.2139   2.5046   4.2746   3.5460   2.1578   3.5382  472.171  177.181  403.386  168.300 68.78522 244.3729 
1 1 1  -30    1   45 o  1112.83   94.471   21.473   3.2608   21.469   4.7167   21.477   4.5130  1043.76  148.505  1055.57  139.993 -11.81360 204.0876 
1 1 1  -30    1   47 o  2141.60   93.905   81.226   6.2971   85.631   9.0865   77.155   8.7349  2048.52  142.544  1936.33  145.122 112.1986 203.4191 
1 1 1  -30    1   49 o  1685.32   95.104   52.086   4.9983   46.802   7.1562   57.119   6.9842  1408.26  165.438  1642.32  137.064 -234.0632 214.8404 
1 1 1  -30    1   51 o  807.977  134.287   14.518   3.2782   15.082   4.8037   14.027   4.4848  650.265  208.402  646.539  200.605 3.726929 289.2639 
1 1 1  -30    1   53 o  1250.22  121.894   35.016   4.7112   29.999   8.0737   37.606   5.8012  585.387  249.709  1173.52  162.210 -588.1348 297.7700 
1 1 1  -30    1   55 o  583.331  202.107   16.552   4.5026   18.292   6.3001   14.736   6.4374  437.806  201.119  386.076  185.128 51.73001 273.3517 
1 1 1  -30    1   57 o  867.576  222.882   39.600   6.0870   40.952   8.5580   38.215   8.6595  438.574  211.103  409.100  200.387 29.47391 291.0660 
1 1 1  -30    2    2 o  1087.61   99.754   18.983   3.3594   21.705   4.1932   14.105   5.6133  1158.46  117.210  902.011  203.573 256.4457 234.9044 
1 1 1  -30    2    4 o  459.653  138.435   3.4568   2.1564   1.2461   3.0079   5.7946   3.0931  392.215  158.430  586.023  162.759 -193.8076 227.1356 
1 1 1  -30    2    6 o  527.541  135.230   4.6634   2.2442   2.4184   3.1777   6.8974   3.1699  441.323  167.254  637.706  159.233 -196.3826 230.9313 
1 1 1  -30    2    8 o  442.830  139.601   3.1540   2.1623   3.6154   3.0910   2.7119   3.0260  486.387  167.516  446.983  164.446 39.40335 234.7430 
1 1 1  -30    2   10 o  636.660  121.233   6.7154   2.3286   7.1868   3.3956   6.2968   3.1993  649.343  166.280  608.983  164.083 40.35974 233.6067 
1 1 1  -30    2   12 o  593.432  129.287   5.8905   2.3344   5.8158   3.3149   5.9639   3.2880  586.708  170.367  593.346  168.883 -6.637939 239.8884 
1 1 1  -30    2   14 o  857.787  100.309   11.890   2.6434   12.704   3.8513   11.164   3.6347  872.890  146.068  816.578  147.583 56.31195 207.6451 
1 1 1  -30    2   16 o  1381.62   85.873   30.428   3.6967   31.471   5.2946   29.436   5.1636  1392.55  122.676  1345.95  123.912 46.59448 174.3665 
1 1 1  -30    2   18 o  976.341  110.094   15.467   3.3070   11.705   6.0087   17.101   3.9608  809.800  227.540  1021.77  126.502 -211.9685 260.3410 
1 1 1  -30    2   20 o  1308.82   86.277   27.351   3.5160   26.223   5.2155   28.291   4.7604  1264.38  133.766  1320.94  116.276 -56.56299 177.2387 
1 1 1  -30    2   22 o  760.698  107.614   9.4594   2.4918   10.991   3.6921   8.1781   3.3767  806.112  151.842  690.929  159.335 115.1830 220.0989 
1 1 1  -30    2   24 f  1070.85   94.267   18.461   3.1286   18.440   4.5291   18.480   4.3269  1052.97  140.900  1057.12  133.709 -4.155029 194.2442 
1 1 1  -30    2   26 o  967.511   97.982   15.154   2.9275   11.249   4.1721   18.942   4.1088  805.333  170.746  1072.60  124.662 -267.2640 211.4113 
1 1 1  -30    2   28 o  1387.82   84.756   30.862   3.6655   32.566   5.2928   29.291   5.0814  1409.33  121.113  1335.22  122.918 74.10632 172.5608 
1 1 1  -30    2   30 o  2100.26   99.137   71.112   6.5197   75.012   8.1686   64.266   10.822  2137.89  122.535  1926.40  181.544 211.4951 219.0272 
1 1 1  -30    2   32 o  284.725  134.768  -3.3070   3.1914  -3.3070   3.1914   0.0000   0.0000  284.725  134.768  ?   ?  0.000000 134.7680 
1 1 1  -30    2   34 o  2700.02  131.592  121.246   11.125  118.314   15.784  124.140   15.683  2569.77  197.678  2643.90  190.723 -74.13232 274.6852 
1 1 1  -30    2   36 o  1626.91  180.483   47.124   9.0394   0.0000   0.0000   47.124   9.0394  ?   ?   1626.91  180.483 0.000000 180.4834 
1 1 1  -30    2   38 o  909.935  114.738   13.917   3.1965   16.162   5.8562   12.965   3.8149  915.542  208.893  859.738  146.990 55.80396 255.4255 
1 1 1  -30    2   40 o  2723.48  106.737  123.563   9.1024  143.809   16.062  113.986   11.048  2769.80  186.279  2561.59  138.247 208.2117 231.9745 
1 1 1  -30    2   42 o  2133.72  128.251   80.152   8.5289   82.442   12.091   77.883   12.033  2030.49  192.462  1959.48  198.874 71.00366 276.7534 
1 1 1  -30    2   44 o  1144.10  101.536   22.722   3.5997   25.255   5.2364   20.453   4.9565  1145.15  149.611  1015.13  161.332 130.0280 220.0259 
1 1 1  -30    2   46 f  278.979  128.220  -0.5820   2.5649   3.6489   3.8589  -3.9306   3.4331  422.395  175.957  262.568  128.085 159.8270 217.6385 
1 1 1  -30    2   48 o  1702.02   94.838   52.250   5.0343   55.075   7.2937   49.680   6.9573  1609.57  146.317  1525.59  147.481 83.97437 207.7480 
1 1 1  -30    2   50 o  2771.43  131.172  163.566   11.383  149.464   19.629  170.712   13.973  1216.14  421.947  2589.45  173.328 -1373.314 456.1599 
1 1 1  -30    2   52 o  1141.11  127.459   28.975   4.4764   28.273   7.5103   29.361   5.5749  672.730  256.606  1008.96  183.210 -336.2255 315.2973 
1 1 1  -30    2   54 o  2254.54  136.936  127.720   9.6212  124.694   16.570  129.259   11.817  670.098  314.017  1898.64  201.870 -1228.540 373.3073 
1 1 1  -30    2   56 o  993.460  150.388   29.192   4.5319   23.787   7.4979   32.303   5.6886  397.863  192.991  830.796  216.487 -432.9330 290.0206 
1 1 1  -30    3    1 o  303.517  125.656   0.4486   1.9506   4.0634   2.9400  -2.3938   2.6071  503.550  163.213  268.548  125.428 235.0017 205.8416 
1 1 1  -30    3    3 o  347.396  136.365   1.1979   2.1659  -1.6361   2.7535   5.7976   3.5078  295.137  134.590  588.499  176.412 -293.3619 221.8914 
1 1 1  -30    3    5 o  945.731   94.373   14.348   2.7574   14.005   3.8585   14.706   3.9418  921.961  137.892  945.396  137.160 -23.43579 194.4921 
1 1 1  -30    3    7 o  400.420  138.281   2.3795   2.1070  -1.8395   2.9244   6.9337   3.0383  301.435  137.938  640.401  153.512 -338.9659 206.3802 
1 1 1  -30    3    9 o  889.052   98.478   12.731   2.6954   12.504   3.8407   12.950   3.7837  866.844  146.735  884.259  141.418 -17.41486 203.7898 
1 1 1  -30    3   11 o  433.082  135.351   3.0231   2.0375   3.9939   2.9193   2.1012   2.8450  499.266  162.684  415.832  158.098 83.43323 226.8499 
1 1 1  -30    3   13 o  541.183  134.223   4.9177   2.2634   2.0912   3.2582   7.5539   3.1466  431.978  167.898  667.807  153.670 -235.8286 227.6055 
1 1 1  -30    3   15 o  2368.57   85.911   89.056   6.3716   86.797   8.9715   91.356   9.0507  2318.11  124.048  2379.62  121.876 -61.50562 173.9014 
1 1 1  -30    3   17 o  1439.29   83.067   32.973   3.7277   39.837   5.4385   26.890   5.1196  1572.70  111.153  1284.06  129.078 288.6332 170.3412 
1 1 1  -30    3   19 o  889.916   96.291   12.770   2.6404   12.648   3.8232   12.881   3.6510  870.100  145.460  881.365  136.722 -11.26447 199.6287 
1 1 1  -30    3   21 o  272.732  121.772  -0.7706   2.1198   4.1062   3.3521  -4.0203   2.7364  510.529  174.498  246.858  118.956 263.6710 211.1874 
1 1 1  -30    3   23 o  326.642  133.419   0.7385   2.1611  -3.1227   3.3856   3.3933   2.8074  302.628  141.856  466.763  159.691 -164.1346 213.5987 
1 1 1  -30    3   25 o  3549.96  103.143  202.386   11.465  209.204   16.282  195.682   16.147  3564.75  145.872  3443.06  149.770 121.6960 209.0687 
1 1 1  -30    3   27 o  1139.03   89.841   20.863   3.1783   25.769   4.7332   16.835   4.2890  1253.35  122.158  1003.14  140.394 250.2137 186.0989 
1 1 1  -30    3   29 o  450.099  156.115   3.1631   2.6869  -0.8249   3.5943   8.2142   4.0451  358.518  159.424  679.737  185.070 -321.2197 244.2684 
1 1 1  -30    3   31 o  847.904  125.701   12.023   3.2363   7.3114   4.1695   19.163   5.1327  639.479  192.476  1055.83  160.288 -416.3557 250.4785 
1 1 1  -30    3   33 o  1186.88  125.210   23.440   4.5831   25.600   6.6021   21.430   6.3672  1204.94  180.545  1092.09  193.268 112.8469 264.4794 
1 1 1  -30    3   35 o  499.181  175.750   4.0892   3.4117  -2.7169   4.7690   11.224   4.8828  373.470  172.785  776.934  199.637 -403.4646 264.0258 
1 1 1  -30    3   37 o  1201.21  106.041   23.815   3.9476   23.719   6.8632   23.863   4.8257  1128.66  201.597  1186.00  132.193 -57.34351 241.0736 
1 1 1  -30    3   39 o  707.393  144.875   8.8991   3.1011   13.821   5.8607   6.9853   3.6546  826.165  221.861  609.737  179.409 216.4278 285.3247 
1 1 1  -30    3   41 o  1060.01  111.785   19.172   3.6544   20.276   6.4951   18.660   4.4204  988.684  215.857  1020.98  142.125 -32.29260 258.4450 
1 1 1  -30    3   43 o  328.955  150.917  -0.8869   3.5316  -3.8821   5.3117   1.4860   4.7279  349.656  167.796  416.072  184.031 -66.41537 249.0446 
1 1 1  -30    3   45 o  2134.49   91.204   78.192   6.0957   84.578   8.7271   72.107   8.5180  2118.12  132.245  1931.26  141.850 186.8606 193.9333 
1 1 1  -30    3   47 o  2014.01   92.406   71.564   5.8274   64.562   8.1826   78.772   8.3011  1756.74  150.196  1992.19  133.850 -235.4459 201.1836 
1 1 1  -30    3   49 o  2306.31  115.120  103.864   8.3135   91.790   14.212  110.144   10.250  1393.33  330.707  2239.32  147.000 -845.9874 361.9066 
1 1 1  -30    3   51 o  937.589  141.090   20.055   4.0138   11.622   6.5266   25.184   5.0902  456.853  207.901  982.645  171.681 -525.7925 269.6244 
1 1 1  -30    3   53 o  1852.19  120.816   76.280   6.9685   64.113   11.903   82.626   8.5957  701.302  301.274  1755.36  158.082 -1054.061 340.2293 
1 1 1  -30    3   55 o  1633.39  100.701   57.067   5.1253   55.478   7.1270   58.769   7.3759  1280.87  182.893  1310.43  184.895 -29.55603 260.0694 
1 1 1  -30    4    2 o  466.145  136.769   3.5745   2.1265   5.3694   3.0686   1.9160   2.9497  566.343  163.761  413.857  160.057 152.4863 228.9884 
1 1 1  -30    4    4 o  266.896  119.735  -0.8913   2.0756   1.2180   2.7348  -3.7569   3.1876  378.063  151.645  281.441  133.642 96.62265 202.1295 
1 1 1  -30    4    6 o  631.466  122.360   6.6018   2.3320   11.053   3.3381   2.3587   3.2593  818.093  135.020  442.697  169.000 375.3966 216.3132 
1 1 1  -30    4    8 o  1187.04  102.133   22.605   3.7592   20.877   6.9348   23.324   4.4735  1100.11  208.960  1200.31  120.660 -100.2076 241.2942 
1 1 1  -30    4   10 o  940.778   92.613   14.191   2.6928   11.247   3.8843   16.915   3.7365  817.977  157.368  1020.60  119.164 -202.6265 197.3950 
1 1 1  -30    4   12 o  1520.39   80.975   36.709   3.8411   37.715   5.4723   35.732   5.3928  1530.30  115.045  1488.74  116.618 41.55750 163.8146 
1 1 1  -30    4   14 o  740.649  112.214   8.9672   2.5209   7.5023   3.7239   10.206   3.4250  662.042  176.440  781.322  145.345 -119.2803 228.5959 
1 1 1  -30    4   16 o  777.149  107.329   9.8283   2.5421   1.1684   3.6250   18.208   3.5659  417.625  171.943  1061.56  108.814 -643.9355 203.4814 
1 1 1  -30    4   18 o  960.056   96.203   14.828   2.8531   12.701   4.1509   16.732   3.9281  867.988  158.568  1010.97  126.883 -142.9855 203.0840 
1 1 1  -30    4   20 o  983.264   98.683   15.581   2.9973   14.464   4.2860   16.650   4.1932  928.965  152.648  1004.13  136.934 -75.16882 205.0664 
1 1 1  -30    4   22 o  1657.97   81.747   43.655   4.2439   46.602   6.0991   40.888   5.9090  1697.56  115.427  1587.70  119.739 109.8652 166.3152 
1 1 1  -30    4   24 o  1654.32   84.098   43.651   4.3420   37.720   6.1746   49.454   6.1070  1517.40  131.247  1748.89  112.110 -231.4832 172.6109 
1 1 1  -30    4   26 o  3206.64  112.775  166.083   11.323  175.542   13.980  148.042   19.307  3273.53  136.391  2909.25  213.431 364.2791 253.2888 
1 1 1  -30    4   28 o  1176.51  104.624   22.470   3.8140   26.139   4.9139   16.911   6.0490  1259.79  126.270  971.254  205.322 288.5313 241.0424 
1 1 1  -30    4   30 o  1910.75   98.789   58.940   5.8904   59.815   7.2518   57.245   10.099  1910.02  121.888  1821.76  179.358 88.26086 216.8547 
1 1 1  -30    4   32 o  2099.38   99.113   71.169   6.5154   73.216   8.0094   67.164   11.203  2110.12  121.737  1961.34  184.581 148.7819 221.1104 
1 1 1  -30    4   34 o  3176.48  114.238  165.144   11.362  175.281   19.806  160.171   13.872  3124.45  203.559  3089.93  143.378 34.51953 248.9849 
1 1 1  -30    4   36 o  1398.11  101.554   31.976   4.4155   31.544   7.6423   32.193   5.4098  1321.77  190.123  1387.17  125.920 -65.39941 228.0407 
1 1 1  -30    4   38 o  2119.08   99.560   73.495   6.6062   84.831   11.794   68.314   7.9744  2176.72  174.512  2012.50  127.199 164.2238 215.9494 
1 1 1  -30    4   40 o  1581.99   99.024   41.514   4.8806   42.521   8.5826   41.033   5.9333  1500.30  186.735  1549.22  123.332 -48.91394 223.7870 
1 1 1  -30    4   42 o  487.840  173.404   4.5380   3.3289  -0.9825   4.9995   8.9346   4.4617  386.007  177.996  646.343  200.013 -260.3359 267.7459 
1 1 1  -30    4   44 o  728.508  164.902   10.837   3.6740   12.098   4.4318   8.0648   6.5699  740.234  190.184  554.466  230.165 185.7673 298.5738 
1 1 1  -30    4   46 o  2855.92  121.802  152.706   10.892  157.450   18.933  150.359   13.317  2270.75  271.669  2681.54  159.312 -410.7881 314.9361 
1 1 1  -30    4   48 o  2815.34  126.203  156.918   11.125  150.979   19.266  159.890   13.627  1800.70  354.305  2653.26  164.842 -852.5536 390.7747 
1 1 1  -30    4   50 o  1571.05  115.024   49.300   5.6191   53.502   9.4182   46.977   7.0017  1219.06  254.934  1391.90  163.783 -172.8452 303.0114 
1 1 1  -30    4   52 o  3213.75  127.356  229.015   12.816  218.040   18.042  240.193   18.207  2311.04  253.490  2571.24  228.529 -260.2051 341.2954 
1 1 1  -30    4   54 o  972.253  119.797   21.522   3.5699   24.773   4.8854   17.797   5.2293  880.894  183.094  576.052  215.360 304.8417 282.6712 
1 1 1  -30    4   56 o  1231.39  108.344   34.935   4.1350   30.521   5.7430   39.686   5.9585  764.249  224.911  1019.66  193.705 -255.4058 296.8277 
1 1 1  -30    5    1 o  317.902  127.162   0.8423   1.9172  -0.1118   3.1727   1.3910   2.4063  359.657  155.034  368.237  143.964 -8.579681 211.5680 
1 1 1  -30    5    3 o  244.366  115.559  -2.6374   2.3365  -3.0706   2.8152  -1.6785   4.1887  269.589  127.291  377.090  169.560 -107.5008 212.0226 
1 1 1  -30    5    5 o  439.638  146.872   2.9847   2.3742  -0.0881   3.3428   6.1129   3.3727  369.590  159.226  602.336  170.906 -232.7461 233.5846 
1 1 1  -30    5    7 o  692.607  112.812   7.8504   2.3624   6.8464   3.4882   8.7009   3.2107  635.315  171.396  720.802  147.232 -85.48724 225.9514 
1 1 1  -30    5    9 o  695.518  116.582   7.9388   2.4491   6.9683   3.5489   8.8213   3.3841  640.455  172.922  723.900  154.027 -83.44525 231.5739 
1 1 1  -30    5   11 o  449.881  139.426   3.2748   2.1671   3.0858   3.2507   3.4260   2.9075  469.784  170.803  473.990  162.513 -4.205994 235.7624 
1 1 1  -30    5   13 o  1978.11   83.795   62.007   5.1902   60.897   7.4374   63.061   7.2465  1943.39  122.852  1980.21  117.393 -36.81921 169.9230 
1 1 1  -30    5   15 o  967.594   92.095   15.008   2.7566   17.997   4.0527   12.434   3.7605  1050.62  125.688  865.033  143.888 185.5849 191.0527 
1 1 1  -30    5   17 o  1405.83   85.310   31.470   3.7376   37.728   5.4786   26.022   5.1118  1529.61  115.233  1263.10  131.160 266.5116 174.5899 
1 1 1  -30    5   19 o  446.064  139.705   3.2230   2.1694   2.2380   3.2793   3.9897   2.8929  437.394  168.873  497.674  161.936 -60.27985 233.9690 
1 1 1  -30    5   21 o  442.779  141.702   3.1515   2.2215   5.6170   3.2039   0.8689   3.0829  575.635  167.589  381.903  158.028 193.7317 230.3454 
1 1 1  -30    5   23 o  1609.81   82.819   41.284   4.1605   39.954   5.9237   42.580   5.8448  1568.11  121.593  1621.77  115.859 -53.66199 167.9534 
1 1 1  -30    5   25 o  552.042  156.152   5.1911   2.8200   5.5958   3.9055   4.7502   4.0763  577.706  188.163  548.027  192.162 29.67889 268.9458 
1 1 1  -30    5   27 o  1679.83   98.780   45.420   5.1729   49.299   6.4300   38.302   8.7094  1739.96  118.729  1487.59  191.417 252.3713 225.2482 
1 1 1  -30    5   29 o  1136.13  109.357   21.046   3.8423   17.604   4.8362   26.938   6.3272  1017.02  156.914  1257.35  164.665 -240.3339 227.4569 
1 1 1  -30    5   31 o  608.936  156.732   6.4572   3.0060   5.8286   3.8296   7.4663   4.8519  580.248  186.088  647.523  209.646 -67.27423 280.3215 
1 1 1  -30    5   33 o  2099.06   97.826   71.127   6.4298   79.916   11.260   66.875   7.8323  2157.76  167.978  2013.08  124.870 144.6799 209.3064 
1 1 1  -30    5   35 o  1319.18  102.498   28.424   4.2006   30.555   7.6378   27.500   5.0296  1304.07  192.867  1283.57  126.798 20.49609 230.8141 
1 1 1  -30    5   37 o  1378.05  122.622   31.796   5.2358   0.0000   0.0000   31.796   5.2358  ?   ?   1378.05  122.622 0.000000 122.6217 
1 1 1  -30    5   39 o  1638.50  100.135   44.330   5.1128   44.082   9.2752   44.439   6.1279  1525.12  198.963  1620.84  121.627 -95.72412 233.1937 
1 1 1  -30    5   41 o  1253.44  106.301   26.614   4.1328   23.166   7.1808   28.321   5.0537  1040.51  226.802  1271.50  128.707 -230.9907 260.7772 
1 1 1  -30    5   43 o  226.272  111.244  -4.6799   2.7470  -3.5476   4.4771  -5.3635   3.4788  323.043  154.766  256.935  126.089 66.10840 199.6275 
1 1 1  -30    5   45 o  1352.55  141.733   35.497   5.9134   30.133   8.0228   41.878   8.7502  1053.88  247.364  1308.61  221.444 -254.7343 332.0038 
1 1 1  -30    5   47 o  1597.43  113.088   47.607   5.6200   41.865   9.7315   50.481   6.8840  1095.71  281.988  1577.97  140.803 -482.2528 315.1871 
1 1 1  -30    5   49 f  311.214  141.271   0.7993   2.9897   6.0697   4.5809  -3.1113   3.9459  442.089  188.326  277.598  135.824 164.4911 232.1957 
1 1 1  -30    5   51 o  2675.46  106.720  141.243   8.9405  137.974   12.571  144.589   12.718  2257.50  179.317  2331.04  175.525 -73.54370 250.9258 
1 1 1  -30    5   53 o  783.636  136.281   14.583   3.2226   14.419   4.2404   14.806   4.9581  634.824  194.750  562.537  209.820 72.28662 286.2724 
1 1 1  -30    5   55 o  438.636  158.899   6.9379   2.8097   7.5910   3.7862   6.1374   4.1916  390.717  168.890  345.935  160.722 44.78262 233.1423 
1 1 1  -30    6    2 o  1001.49   94.403   16.057   2.9255   12.782   4.2728   18.947   4.0138  873.243  162.237  1081.61  120.565 -208.3639 202.1305 
1 1 1  -30    6    4 o  1153.58   88.218   21.206   3.1624   27.998   4.6055   15.146   4.3501  1319.79  112.517  956.597  150.174 363.1968 187.6497 
1 1 1  -30    6    6 o  333.428  135.324   0.7930   2.2057   0.8319   2.8227   0.7319   3.5349  369.470  151.875  402.476  168.096 -33.00592 226.5447 
1 1 1  -30    6    8 o  1585.64   81.922   39.885   4.0536   42.204   5.8533   37.749   5.6191  1620.71  116.109  1531.67  118.072 89.03931 165.5967 
1 1 1  -30    6   10 o  1216.46   86.975   23.566   3.2911   26.126   4.8638   21.403   4.4696  1270.59  123.826  1148.10  126.425 122.4895 176.9632 
1 1 1  -30    6   12 o  858.493  105.687   11.918   2.7810   13.253   4.1125   10.793   3.7751  891.864  152.756  801.948  155.950 89.91541 218.3001 
1 1 1  -30    6   14 o  1770.57   82.261   49.646   4.5606   53.103   6.4742   46.242   6.4255  1818.22  114.299  1693.21  122.010 125.0081 167.1848 
1 1 1  -30    6   16 o  507.649  139.246   4.3066   2.2800   4.1864   3.4512   4.3997   3.0371  518.654  177.059  520.060  165.606 -1.406433 242.4359 
1 1 1  -30    6   18 o  1275.41   85.032   25.916   3.3764   28.355   4.9807   23.842   4.5927  1322.75  121.616  1211.67  122.745 111.0845 172.7907 
1 1 1  -30    6   20 o  385.116  140.621   2.0112   2.2068   1.0730   3.3047   2.7662   2.9646  399.591  164.304  446.152  162.976 -46.56113 231.4235 
1 1 1  -30    6   22 o  937.311  116.199   14.334   3.3373   14.582   4.2778   13.949   5.3344  932.857  151.659  894.144  195.941 38.71326 247.7763 
1 1 1  -30    6   24 o  227.028  108.552  -2.8685   2.1787  -4.5076   3.2313  -1.5022   2.9502  270.751  130.176  309.129  140.329 -38.37860 191.4102 
1 1 1  -30    6   26 o  3011.48  110.404  146.122   10.411  152.973   12.854  133.060   17.749  3060.72  134.123  2772.82  205.898 287.9067 245.7294 
1 1 1  -30    6   28 o  871.563  126.645   12.606   3.3551   10.871   4.3149   15.259   5.3356  787.689  179.008  931.669  189.352 -143.9800 260.5726 
1 1 1  -30    6   30 o  2796.23  108.147  126.411   9.4690  123.983   11.627  131.195   16.318  2744.84  135.278  2754.14  190.386 -9.292725 233.5528 
1 1 1  -30    6   32 o  1095.02  107.751   19.597   3.6467   24.836   7.0269   17.666   4.2662  1181.65  196.840  1026.50  136.082 155.1553 239.2994 
1 1 1  -30    6   34 o  765.302  131.800   9.9241   3.0444   15.403   5.4802   7.4787   3.6614  921.588  195.940  647.047  176.034 274.5402 263.4021 
1 1 1  -30    6   36 o  666.875  155.919   7.8694   3.1976   4.8979   6.0683   9.0115   3.7622  572.552  227.131  707.241  171.628 -134.6894 284.6839 
1 1 1  -30    6   38 o  1218.57  130.741   25.301   4.9107   0.0000   0.0000   25.301   4.9107  ?   ?   1218.57  130.741 0.000000 130.7414 
1 1 1  -30    6   40 o  868.293  130.375   13.199   3.4352   13.443   5.9785   13.079   4.1972  791.658  228.482  838.241  165.784 -46.58246 282.2912 
1 1 1  -30    6   42 o  2428.29  138.460  106.590   10.484   0.0000   0.0000  106.590   10.484  ?   ?   2428.29  138.460 0.000000 138.4601 
1 1 1  -30    6   44 o  486.238  186.863   5.0807   4.0013   0.0000   0.0000   5.0807   4.0013  ?   ?   486.238  186.863 0.000000 186.8629 
1 1 1  -30    6   46 o  1006.59  168.337   21.808   5.1184   0.0000   0.0000   21.808   5.1184  ?   ?   1006.59  168.337 0.000000 168.3374 
1 1 1  -30    6   48 o  1748.64   94.951   55.047   5.1795   56.964   7.4247   53.229   7.2290  1641.34  145.989  1582.09  147.631 59.25659 207.6238 
1 1 1  -30    6   50 o  852.758  127.152   15.153   3.2914   14.310   4.4339   16.188   4.9123  701.525  194.879  722.316  206.713 -20.79114 284.0917 
1 1 1  -30    6   52 o  2553.90  105.248  130.451   8.4166  118.091   11.722  143.605   12.092  1999.09  189.527  2325.64  167.171 -326.5453 252.7189 
1 1 1  -30    6   54 o  585.156  160.416   10.098   3.0269   11.427   4.1248   8.5474   4.4558  508.247  191.022  407.557  179.541 100.6897 262.1534 
1 1 1  -30    7    1 o  518.107  159.285   4.3905   2.8349   1.0461   3.4705   11.097   4.9145  408.820  168.269  803.088  196.939 -394.2674 259.0361 
1 1 1  -30    7    3 o  460.283  143.055   3.4170   2.2796  -0.1469   3.4183   6.2714   3.0592  372.491  160.743  610.072  158.652 -237.5809 225.8518 
1 1 1  -30    7    5 o  577.328  131.006   5.5577   2.3140   5.4193   3.2825   5.6944   3.2625  571.151  170.526  583.513  168.892 -12.36200 240.0078 
1 1 1  -30    7    7 o  520.813  141.841   4.5208   2.3757   4.8669   3.5440   4.2384   3.2014  550.425  179.241  517.427  170.450 32.99811 247.3469 
1 1 1  -30    7    9 f  387.728  141.382   2.0156   2.2296   1.4042   3.3634   2.4949   2.9780  415.010  167.569  437.914  162.755 -22.90442 233.5987 
1 1 1  -30    7   11 o  371.060  140.321   1.6525   2.2336   3.3502   3.4181   0.3873   2.9507  485.948  175.381  362.072  152.543 123.8760 232.4394 
1 1 1  -30    7   13 o  489.771  140.927   3.9702   2.2775   3.3821   3.4160   4.4409   3.0559  486.794  175.378  523.192  166.066 -36.39734 241.5271 
1 1 1  -30    7   15 o  1362.68   84.253   29.527   3.5773   33.771   5.2315   25.799   4.9027  1447.96  116.369  1261.27  125.819 186.6826 171.3834 
1 1 1  -30    7   17 o  206.175   99.139  -2.7375   1.8755  -1.1974   3.1558  -3.5785   2.3320  330.329  147.955  226.363  109.259 103.9659 183.9243 
1 1 1  -30    7   19 o  1797.13   83.164   51.209   4.6798   55.680   6.8984   47.398   6.3698  1858.13  119.193  1713.71  119.452 144.4219 168.7479 
1 1 1  -30    7   21 o  296.936  137.174  -2.2091   2.9895  -2.2091   2.9895   0.0000   0.0000  296.936  137.174  ?   ?  0.000000 137.1745 
1 1 1  -30    7   23 f  1506.85   97.292   36.392   4.5660   39.859   5.6927   30.139   7.6457  1569.48  116.670  1328.53  189.133 240.9536 222.2235 
1 1 1  -30    7   25 o  360.671  145.396   1.0972   2.5278   0.2649   3.2671   2.3386   3.9900  372.329  158.837  465.170  184.288 -92.84030 243.2926 
1 1 1  -30    7   27 o  2371.25  100.483   90.171   7.4609   92.934   9.2507   85.030   12.620  2389.66  124.056  2237.66  181.678 152.0088 219.9925 
1 1 1  -30    7   29 o  569.343  175.199   5.5474   3.4288   3.7884   5.0147   7.0916   4.6988  536.124  208.317  638.533  206.267 -102.4091 293.1590 
1 1 1  -30    7   31 o  281.928  126.958  -0.9884   2.3585   0.2411   4.6560  -1.4128   2.7355  431.568  186.916  296.049  134.674 135.5195 230.3796 
1 1 1  -30    7   33 o  2266.79  100.539   82.946   7.1361   92.974   12.736   78.357   8.6156  2323.53  176.365  2180.83  126.714 142.6917 217.1652 
1 1 1  -30    7   35 o  1646.50   99.173   44.051   5.0891   37.669   8.8534   47.201   6.2193  1443.80  201.311  1691.80  118.143 -247.9991 233.4180 
1 1 1  -30    7   37 o  1814.77  100.458   53.901   5.6863   57.560   9.9536   52.128   6.9281  1793.72  179.633  1762.61  126.367 31.10999 219.6280 
1 1 1  -30    7   39 o  2119.38  126.087   76.565   8.3297   0.0000   0.0000   76.565   8.3297  ?   ?   2119.38  126.087 0.000000 126.0867 
1 1 1  -30    7   41 o  1189.15  139.582   25.399   5.0985   0.0000   0.0000   25.399   5.0985  ?   ?   1189.15  139.582 0.000000 139.5821 
1 1 1  -30    7   43 o  850.068  173.303   14.670   4.4565   0.0000   0.0000   14.670   4.4565  ?   ?   850.068  173.303 0.000000 173.3033 
1 1 1  -30    7   45 o  618.107  200.415   9.4636   4.4328   0.0000   0.0000   9.4636   4.4328  ?   ?   618.107  200.415 0.000000 200.4149 
1 1 1  -30    7   47 o  2069.94   96.002   76.116   6.2224   69.206   8.8706   82.809   8.7306  1795.03  159.482  2033.26  137.947 -238.2218 210.8644 
1 1 1  -30    7   49 o  638.272  168.508   9.9759   3.4173   16.439   5.0276   4.4253   4.6591  752.855  206.888  408.127  181.494 344.7282 275.2140 
1 1 1  -30    7   51 o  1433.68   99.850   39.371   4.4545   43.813   6.2173   34.686   6.3853  1379.05  146.212  1121.50  188.516 257.5409 238.5708 
1 1 1  -30    7   53 o  469.093  161.911   6.7671   2.8884   8.4774   3.7235   4.1830   4.5769  473.594  180.674  348.139  163.746 125.4549 243.8358 
1 1 1  -30    7   55 o  558.074  164.929   10.195   3.0825   9.9866   3.9923   10.504   4.8504  447.417  181.884  405.059  182.269 42.35791 257.4955 
1 1 1  -30    8    2 o  705.308  119.878   8.1614   2.5527   6.9170   3.7380   9.2490   3.4946  639.853  179.355  742.561  155.289 -102.7087 237.2399 
1 1 1  -30    8    4 o  751.436  110.994   9.1836   2.5330   12.761   3.7661   6.2285   3.4229  879.802  141.502  608.790  171.976 271.0123 222.7073 
1 1 1  -30    8    6 o  793.983  108.969   10.220   2.6377   7.6679   4.0251   12.140   3.4920  672.034  185.295  859.830  134.074 -187.7966 228.7136 
1 1 1  -30    8    8 o  563.060  134.223   5.2941   2.3330   1.7184   3.9096   7.2715   2.9074  448.853  180.864  659.141  144.823 -210.2876 231.7017 
1 1 1  -30    8   10 o  698.606  117.446   7.9995   2.4780   9.4405   3.8178   6.9505   3.2573  747.129  167.351  641.487  162.098 105.6420 232.9852 
1 1 1  -30    8   12 o  1663.51   84.501   43.914   4.3871   45.400   6.4854   42.660   5.9568  1678.60  124.271  1629.35  117.546 49.25391 171.0563 
1 1 1  -30    8   14 o  850.086   98.245   11.634   2.5669   11.346   3.8523   11.864   3.4426  823.450  155.094  848.949  133.947 -25.49908 204.9293 
1 1 1  -30    8   16 o  244.350  110.824  -1.0168   1.8348  -5.5370   3.2202   1.1561   2.2327  256.824  125.012  349.332  138.027 -92.50861 186.2242 
1 1 1  -30    8   18 o  765.141  105.872   9.5109   2.4686   12.471   3.8009   7.3514   3.2464  866.183  145.285  658.250  159.239 207.9332 215.5569 
1 1 1  -30    8   20 o  1913.52   97.692   58.479   5.8339   62.938   7.2772   50.458   9.7594  1976.45  118.129  1735.05  182.365 241.4026 217.2824 
1 1 1  -30    8   22 o  571.038  156.217   5.5243   2.8741   4.1350   3.7928   7.3978   4.4046  522.845  185.174  656.551  197.876 -133.7056 271.0061 
1 1 1  -30    8   24 f  1501.03  123.432   36.616   5.7500   38.711   8.5155   34.861   7.7957  1511.39  183.712  1437.33  176.950 74.06458 255.0710 
1 1 1  -30    8   26 o  1150.24  104.770   21.383   3.7321   23.258   7.1001   20.668   4.3871  1153.58  204.025  1122.50  127.053 31.07654 240.3512 
1 1 1  -30    8   28 o  1928.79  121.291   60.512   7.2881   65.172   10.650   56.408   9.9953  1963.22  175.078  1823.92  177.253 139.2920 249.1403 
1 1 1  -30    8   30 o  1806.66   97.563   52.500   5.4988   48.824   9.7520   54.213   6.6581  1682.95  188.283  1825.41  117.104 -142.4624 221.7296 
1 1 1  -30    8   32 o  3210.42  112.495  167.157   11.309  206.885   19.961  148.377   13.724  3468.08  184.472  2988.71  146.646 479.3760 235.6583 
1 1 1  -30    8   34 o  2163.81   99.374   75.646   6.7330   83.540   11.909   71.937   8.1629  2199.42  174.346  2087.85  125.443 111.5740 214.7847 
1 1 1  -30    8   36 o  2449.67  102.284   97.751   7.8457  120.045   13.824   87.159   9.5290  2623.99  169.154  2278.36  134.161 345.6304 215.8990 
1 1 1  -30    8   38 o  2133.36  125.186   76.932   8.3259   0.0000   0.0000   76.932   8.3259  ?   ?   2133.36  125.186 0.000000 125.1860 
1 1 1  -30    8   40 o  1601.37  129.645   44.665   6.4450   0.0000   0.0000   44.665   6.4450  ?   ?   1601.37  129.645 0.000000 129.6452 
1 1 1  -30    8   42 o  2155.89  135.282   84.011   9.0861   0.0000   0.0000   84.011   9.0861  ?   ?   2155.89  135.282 0.000000 135.2818 
1 1 1  -30    8   44 o  590.652  176.094   7.5800   3.5022   12.288   6.6114   5.7437   4.1292  649.588  242.290  506.356  190.957 143.2323 308.4944 
1 1 1  -30    8   46 o  1346.11  119.263   33.739   4.9749   32.070   6.0513   37.218   8.7385  1239.60  159.608  1145.25  250.641 94.35437 297.1458 
1 1 1  -30    8   48 o  1413.72   99.074   36.314   4.3580   30.392   6.2191   42.027   6.1087  1129.34  182.057  1433.28  137.812 -303.9364 228.3347 
1 1 1  -30    8   50 o  361.788  153.702   2.8865   3.0364   2.9852   4.7023   2.8159   3.9766  371.628  171.806  364.730  164.492 6.898743 237.8553 
1 1 1  -30    8   52 f  2096.39  100.513   85.666   6.5980   86.888   9.2690   84.411   9.3942  1843.42  162.232  1783.09  170.328 60.33215 235.2253 
1 1 1  -30    8   54 o  2229.12  107.133  104.882   7.4778   94.986   10.478  115.154   10.675  1620.24  211.585  1948.85  176.858 -328.6121 275.7660 
1 1 1  -30    9    1 o  361.360  149.303   0.6997   2.7459   0.0000   0.0000   0.6997   2.7459  ?   ?   361.360  149.303 0.000000 149.3027 
1 1 1  -30    9    3 o  481.998  148.015   3.7678   2.4487   2.3956   4.7330   4.2694   2.8615  500.504  199.942  513.382  160.394 -12.87769 256.3263 
1 1 1  -30    9    5 o  1009.84  105.370   16.386   3.2828   16.649   5.7830   16.261   3.9875  990.186  193.454  999.201  130.571 -9.014709 233.3949 
1 1 1  -30    9    7 o  1504.90   93.584   36.037   4.3880   34.322   7.6945   36.863   5.3418  1440.47  174.127  1516.50  113.312 -76.03235 207.7497 
1 1 1  -30    9    9 f  537.016  145.086   4.8102   2.4974   7.3599   5.0372   3.9792   2.8757  666.336  213.390  499.826  161.356 166.5108 267.5276 
1 1 1  -30    9   11 o  428.252  148.318   2.7105   2.4248  -2.1379   4.4172   4.8016   2.9009  380.327  172.276  539.013  160.167 -158.6856 235.2285 
1 1 1  -30    9   13 o  334.843  137.142   0.6936   2.2912  -3.4786   4.8225   1.9099   2.6038  376.616  174.068  399.188  151.374 -22.57254 230.6811 
1 1 1  -30    9   15 o  1994.69   96.317   63.207   6.0158   66.828   10.875   61.611   7.2212  2011.73  174.368  1958.83  118.288 52.89966 210.7043 
1 1 1  -30    9   17 o  1856.08  116.915   55.355   6.7602   71.209   9.9674   41.850   9.1994  2087.44  153.572  1579.42  189.816 508.0186 244.1607 
1 1 1  -30    9   19 o  662.939  167.051   7.4824   3.4663   10.101   5.2158   5.4107   4.6389  761.666  211.285  588.763  205.077 172.9038 294.4451 
1 1 1  -30    9   21 o  1876.09  119.694   56.759   6.9947   66.114   10.313   48.790   9.5189  1999.17  166.253  1707.17  180.822 291.9978 245.6353 
1 1 1  -30    9   23 o  865.177  156.121   12.596   4.0738   13.065   6.4402   12.284   5.2599  854.091  233.925  837.563  202.737 16.52820 309.5535 
1 1 1  -30    9   25 o  3124.09  112.341  156.797   10.990  161.222   19.287  154.670   13.373  3077.57  201.250  3082.44  138.550 -4.873535 244.3305 
1 1 1  -30    9   27 o  452.627  171.878   2.6270   3.3600   0.7353   5.7281   3.6193   4.1487  488.356  209.375  511.520  191.706 -23.16379 283.8819 
1 1 1  -30    9   29 o  1039.22  110.353   17.574   3.5360   18.417   6.4531   17.213   4.2271  1018.34  209.370  1018.65  135.918 -0.3097534 249.6183 
1 1 1  -30    9   31 o  872.294  127.214   12.639   3.3724   10.107   6.7503   13.482   3.8931  745.154  247.604  894.660  143.845 -149.5060 286.3545 
1 1 1  -30    9   33 o  457.322  160.290   3.2587   2.8360   8.4642   5.1469   0.9891   3.3985  683.517  215.366  395.701  165.007 287.8168 271.3114 
1 1 1  -30    9   35 o  796.001  159.287   11.109   3.8316   0.0000   0.0000   11.109   3.8316  ?   ?   796.001  159.287 0.000000 159.2867 
1 1 1  -30    9   37 o  258.486  123.833  -3.5193   2.8656   0.0000   0.0000  -3.5193   2.8656  ?   ?   258.486  123.833 0.000000 123.8329 
1 1 1  -30    9   39 o  2008.21  129.316   69.483   8.0884   0.0000   0.0000   69.483   8.0884  ?   ?   2008.21  129.316 0.000000 129.3162 
1 1 1  -30    9   41 o  911.207  137.477   15.019   3.8005   13.146   7.1649   15.752   4.4832  719.898  254.559  909.531  163.423 -189.6329 302.5018 
1 1 1  -30    9   43 o  1162.21  104.587   23.454   3.7653   21.533   5.3587   25.327   5.2918  1034.68  171.401  1151.41  150.368 -116.7266 228.0109 
1 1 1  -30    9   45 o  1671.04   96.137   48.519   5.0091   51.633   7.2120   45.617   6.9625  1631.27  142.627  1522.23  147.941 109.0414 205.4970 
1 1 1  -30    9   47 o  750.625  176.875   12.989   4.0891   13.210   4.9215   12.497   7.3480  697.750  208.911  566.985  239.897 130.7653 318.1106 
1 1 1  -30    9   49 o  441.369  166.537   4.9300   3.1417   3.2513   4.4441   6.6070   4.4419  388.618  174.707  466.702  191.027 -78.08365 258.8708 
1 1 1  -30    9   51 o  331.927  147.884   2.0144   3.1083   9.9789   4.3189  -6.5440   4.4770  537.750  196.669  254.595  127.824 283.1556 234.5581 
1 1 1  -30    9   53 f  864.912  138.318   17.571   3.6198   15.836   4.9841   19.506   5.2657  614.055  212.645  704.125  217.189 -90.07056 303.9559 
1 1 1  -30   10    2 o  868.829  140.759   12.423   3.6984   0.0000   0.0000   12.423   3.6984  ?   ?   868.829  140.759 0.000000 140.7587 
1 1 1  -30   10    4 o  1894.69   96.434   57.062   5.7023   59.607   10.175   55.897   6.8850  1905.91  172.368  1868.12  118.312 37.78662 209.0655 
1 1 1  -30   10    6 f  616.584  147.057   6.3653   2.7994  -5.0501   5.2209   10.971   3.3164  372.955  175.248  817.120  134.282 -444.1644 220.7792 
1 1 1  -30   10    8 o  987.609  133.215   15.906   4.0145   27.602   5.8469   5.4756   5.5218  1301.20  146.025  613.485  222.678 687.7118 266.2869 
1 1 1  -30   10   10 o  913.369  116.335   13.512   3.2516   14.810   6.0763   12.991   3.8491  926.318  213.824  887.830  143.340 38.48779 257.4239 
1 1 1  -30   10   12 o  736.245  134.335   8.9595   2.9828   14.642   5.8062   6.9222   3.4766  922.756  206.148  640.245  170.411 282.5112 267.4646 
1 1 1  -30   10   14 o  469.454  171.962   3.0002   3.3038   9.0416   5.1925  -1.1090   4.2824  726.948  213.841  394.322  174.743 332.6265 276.1578 
1 1 1  -30   10   16 f  553.409  176.350   4.9791   3.4435   11.731   5.5049   0.6388   4.4136  822.119  212.350  440.452  186.118 381.6668 282.3689 
1 1 1  -30   10   18 f  1059.30  129.026   18.284   4.1913   21.278   6.3263   15.941   5.5955  1122.10  186.607  966.110  191.733 155.9904 267.5517 
1 1 1  -30   10   20 o  590.964  174.127   5.8690   3.4404   6.8883   5.1326   5.0373   4.6362  647.521  215.942  576.321  204.662 71.19977 297.5192 
1 1 1  -30   10   22 o  832.702  126.264   11.395   3.1889   13.506   6.4763   10.719   3.6639  871.494  232.881  799.164  151.970 72.32996 278.0801 
1 1 1  -30   10   24 o  838.516  132.488   11.623   3.3630   16.160   6.4928   9.9591   3.9315  955.706  221.321  763.546  168.917 192.1599 278.4165 
1 1 1  -30   10   26 o  1216.45  134.419   24.272   5.0345   25.601   7.1622   22.975   7.0782  1221.50  193.720  1150.67  203.916 70.83264 281.2639 
1 1 1  -30   10   28 f  1514.99   98.589   36.841   4.6514   40.385   8.3522   35.248   5.6002  1547.00  175.531  1471.89  122.626 75.11023 214.1219 
1 1 1  -30   10   30 o  1119.70  110.225   20.380   3.8145   23.824   6.8327   18.821   4.5976  1170.56  193.154  1063.02  141.650 107.5377 239.5272 
1 1 1  -30   10   32 o  2106.92  122.374   72.589   8.0385   0.0000   0.0000   72.589   8.0385  ?   ?   2106.92  122.374 0.000000 122.3736 
1 1 1  -30   10   34 o  1289.90  129.264   27.708   5.1507   0.0000   0.0000   27.708   5.1507  ?   ?   1289.90  129.264 0.000000 129.2642 
1 1 1  -30   10   36 o  1851.31  124.349   57.310   7.1666   0.0000   0.0000   57.310   7.1666  ?   ?   1851.31  124.349 0.000000 124.3492 
1 1 1  -30   10   38 o  1064.34  109.156   19.016   3.5864   15.950   5.3788   21.470   4.8122  910.931  194.491  1106.96  142.116 -196.0280 240.8811 
1 1 1  -30   10   40 o  1058.26  108.336   19.075   3.5393   14.775   5.0169   23.335   4.9937  860.323  191.195  1138.99  143.184 -278.6701 238.8659 
1 1 1  -30   10   42 o  440.228  163.710   3.5248   3.0139   2.3424   4.4391   4.5360   4.1052  429.992  184.334  485.259  188.501 -55.26688 263.6509 
1 1 1  -30   10   44 o  1105.15  109.699   21.638   3.7460   26.109   5.3172   17.233   5.2783  1160.02  149.892  880.185  196.490 279.8307 247.1357 
1 1 1  -30   10   46 o  1765.08   96.498   54.646   5.3131   51.927   7.4407   57.475   7.5893  1605.40  149.747  1704.28  143.551 -98.87732 207.4396 
1 1 1  -30   10   48 o  654.453  192.194   11.156   4.1976   10.849   5.0494   11.845   7.5519  592.063  213.232  531.810  234.028 60.25342 316.6024 
1 1 1  -30   10   50 o  1283.44  108.614   31.602   4.3240   27.286   6.3118   35.418   5.9356  969.436  213.684  1249.35  155.060 -279.9105 264.0163 
1 1 1  -30   10   52 o  2022.80   99.156   78.753   6.2804   71.487   8.7516   86.469   9.0181  1647.48  172.193  1887.95  153.888 -240.4642 230.9373 
1 1 1  -30   11    1 o  761.445  116.674   9.4397   2.6932   8.1961   4.0369   10.437   3.6153  695.852  182.879  792.529  151.200 -96.67712 237.2890 
1 1 1  -30   11    3 o  956.758  113.933   14.768   3.3461   4.6165   6.0581   19.225   4.0140  603.330  230.386  1091.91  119.345 -488.5810 259.4624 
1 1 1  -30   11    5 o  1398.56   87.211   31.044   3.8001   28.171   5.6647   33.394   5.1243  1318.00  139.374  1443.92  114.271 -125.9215 180.2305 
1 1 1  -30   11    7 o  1429.44   95.574   32.515   4.2532   37.781   7.6216   30.133   5.1255  1519.41  162.727  1369.21  120.788 150.2068 202.6568 
1 1 1  -30   11    9 o  581.134  176.613   5.5636   3.4982   3.1161   5.3659   7.3728   4.6133  542.686  214.120  664.543  203.009 -121.8573 295.0597 
1 1 1  -30   11   11 f  573.722  155.588   5.5008   2.8656   9.2877   5.4955   4.0865   3.3584  738.832  220.655  515.539  174.668 223.2931 281.4208 
1 1 1  -30   11   13 o  471.931  172.705   3.0242   3.3313   7.8293   5.3600  -0.0000   4.2523  686.803  220.141  418.582  179.954 268.2213 284.3333 
1 1 1  -30   11   15 o  582.760  173.472   5.6430   3.4007   6.7828   5.0487   4.6964   4.6010  646.442  214.101  566.947  203.613 79.49457 295.4616 
1 1 1  -30   11   17 o  807.753  160.438   10.946   3.9148   4.0370   6.4303   15.015   4.9348  595.169  234.535  945.185  173.117 -350.0161 291.5067 
1 1 1  -30   11   19 o  457.479  157.650   3.1450   2.7378   5.3033   4.9447   2.1908   3.2878  593.199  211.287  438.271  169.127 154.9283 270.6404 
1 1 1  -30   11   21 o  1704.82   98.187   46.374   5.2192   55.080   9.2060   42.250   6.3359  1829.95  162.348  1617.10  126.126 212.8490 205.5836 
1 1 1  -30   11   23 o  353.028  145.190   0.7562   2.5812  -2.9813   4.9573   2.1464   3.0235  389.936  178.860  425.037  162.649 -35.10135 241.7550 
1 1 1  -30   11   25 o  1846.80   98.709   54.510   5.6874   67.320   10.295   48.883   6.8232  2017.93  164.355  1737.26  126.296 280.6622 207.2758 
1 1 1  -30   11   27 o  464.284  157.930   3.3424   2.7457   5.6294   5.1407   2.4295   3.2477  601.797  215.318  442.674  168.769 159.1239 273.5783 
1 1 1  -30   11   29 o  1580.84  101.294   40.177   4.9877   42.069   9.3418   39.423   5.8988  1565.06  194.845  1556.78  121.985 8.282471 229.8806 
1 1 1  -30   11   31 o  1495.17  104.664   36.149   4.8692   34.754   8.9832   36.729   5.7942  1401.17  211.320  1497.33  124.717 -96.16626 245.3779 
1 1 1  -30   11   33 o  3558.52  152.982  212.583   17.046   0.0000   0.0000  212.583   17.046  ?   ?   3558.52  152.982 0.000000 152.9815 
1 1 1  -30   11   35 o  3021.48  113.442  150.066   10.733  167.059   18.812  141.866   13.068  3038.21  198.839  2895.79  144.123 142.4180 245.5777 
1 1 1  -30   11   37 o  2056.32   89.767   68.821   5.7799   67.372   8.2167   70.241   8.1321  1986.79  132.843  2034.40  128.316 -47.60278 184.6949 
1 1 1  -30   11   39 o  1283.38  101.816   27.575   4.0579   24.994   5.6558   30.313   5.8255  1170.30  158.412  1304.23  145.107 -133.9249 214.8269 
1 1 1  -30   11   41 o  907.610  128.688   14.697   3.5548   15.668   5.1467   13.811   4.9158  874.101  193.182  816.585  194.951 57.51617 274.4539 
1 1 1  -30   11   43 o  1706.04   94.511   49.464   5.0291   52.201   7.0712   46.664   7.1539  1685.72  135.100  1572.73  146.973 112.9918 199.6324 
1 1 1  -30   11   45 o  486.372  168.165   5.0776   3.1165   2.6791   4.3447   7.6197   4.4729  415.784  180.320  556.243  200.644 -140.4593 269.7651 
1 1 1  -30   11   47 o  926.056  127.548   16.513   3.6004   12.726   5.0681   20.370   5.1156  679.066  213.673  951.945  178.169 -272.8789 278.2094 
1 1 1  -30   11   49 f  447.237  177.776   5.2650   3.7245   1.6371   4.2976   16.210   7.4648  361.534  166.091  595.658  246.144 -234.1241 296.9395 
1 1 1  -30   11   51 o  2169.59   98.831   88.428   6.7141   90.516   9.3493   86.205   9.6482  1983.38  151.691  1880.31  165.558 103.0724 224.5434 
1 1 1  -30   12    2 o  417.110  149.368   2.4113   2.4744   1.4072   3.7056   3.2193   3.3240  432.510  175.447  480.452  173.010 -47.94162 246.4025 
1 1 1  -30   12    4 o  771.740  117.309   9.6855   2.7455   5.6318   4.3350   12.400   3.5477  596.980  198.426  870.889  134.426 -273.9094 239.6728 
1 1 1  -30   12    6 o  748.748  114.556   9.1138   2.6004   12.033   3.9272   6.8345   3.4700  852.641  152.705  638.173  170.433 214.4676 228.8369 
1 1 1  -30   12    8 o  1781.28   96.168   50.391   5.3440   56.264   9.4234   47.607   6.4882  1858.42  163.604  1724.09  120.950 134.3302 203.4579 
1 1 1  -30   12   10 o  648.702  147.464   7.0271   2.9275   6.7396   3.6583   7.5390   4.8816  634.020  177.332  673.873  209.326 -39.85345 274.3428 
1 1 1  -30   12   12 o  503.474  177.621   3.6966   3.4865   3.6966   3.4865   0.0000   0.0000  503.474  177.621  ?   ?  0.000000 177.6213 
1 1 1  -30   12   14 o  396.108  153.928   1.6590   2.7382   2.4664   3.5649   0.4972   4.2762  460.277  176.499  432.371  182.977 27.90631 254.2294 
1 1 1  -30   12   16 o  937.534  102.897   14.123   2.9710   17.856   4.5284   11.302   3.9368  1044.64  142.129  822.708  158.569 221.9311 212.9433 
1 1 1  -30   12   18 o  360.707  142.098   1.2493   2.3598  -0.1858   4.1508   1.9346   2.8684  409.047  176.823  412.057  158.247 -3.010040 237.2942 
1 1 1  -30   12   20 o  673.745  136.648   7.5533   2.7842   9.5786   4.4329   6.2339   3.5780  748.116  189.131  609.446  177.006 138.6700 259.0398 
1 1 1  -30   12   22 o  1859.82   87.503   54.816   5.0958   51.610   7.4187   57.679   7.0116  1785.75  133.644  1894.70  118.784 -108.9545 178.8024 
1 1 1  -30   12   24 o  2224.29   86.928   78.460   6.0543   80.759   8.7917   76.387   8.3496  2237.73  125.986  2177.65  122.953 60.07764 176.0395 
1 1 1  -30   12   26 o  632.575  144.457   6.7509   2.7985   10.482   4.5096   4.4141   3.5688  778.604  187.262  529.502  180.054 249.1022 259.7818 
1 1 1  -30   12   28 o  2461.29  102.590   96.940   7.9065  111.055   14.150   90.533   9.5335  2575.55  176.528  2360.33  129.486 215.2156 218.9263 
1 1 1  -30   12   30 o  1398.55  104.484   31.594   4.5425   44.349   8.5309   26.546   5.3666  1619.64  170.788  1267.01  137.476 352.6326 219.2440 
1 1 1  -30   12   32 o  1137.22  140.156   21.674   4.8852   0.0000   0.0000   21.674   4.8852  ?   ?   1137.22  140.156 0.000000 140.1555 
1 1 1  -30   12   34 o  1880.31   88.657   56.944   5.2199   63.039   7.5153   51.263   7.2555  1949.50  123.756  1749.33  133.465 200.1678 182.0120 
1 1 1  -30   12   36 o  655.809  151.283   7.6799   3.0433   15.510   4.5345   1.2624   4.1052  932.714  161.085  421.904  178.955 510.8104 240.7766 
1 1 1  -30   12   38 o  469.390  159.341   3.8817   2.7949   4.4611   3.7784   3.1817   4.1533  503.455  183.977  468.040  187.183 35.41486 262.4594 
1 1 1  -30   12   40 o  946.649  121.852   15.635   3.5281   12.299   4.9116   19.191   5.0711  770.638  201.327  1008.83  166.333 -238.1938 261.1498 
1 1 1  -30   12   42 o  1165.75  108.159   23.488   3.9031   23.292   5.4150   23.700   5.6311  1101.04  161.896  1102.75  168.419 -1.709961 233.6142 
1 1 1  -30   12   44 o  623.887  155.186   7.8008   3.0191   8.4999   4.1802   7.0384   4.3652  609.849  194.297  551.660  198.303 58.18909 277.6248 
1 1 1  -30   12   46 o  448.137  165.799   4.2615   3.0835   6.5221   4.0655   1.1998   4.7313  519.084  190.665  387.377  176.566 131.7072 259.8626 
1 1 1  -30   12   48 o  366.816  154.881   2.3058   3.0526  -0.2003   3.9871   5.8557   4.7453  332.429  155.214  466.925  194.866 -134.4958 249.1265 
1 1 1  -30   12   50 o  1959.94  117.468   75.127   7.1759   60.741   8.5795  108.626   13.092  1581.15  176.290  1936.45  219.803 -355.3063 281.7655 
1 1 1  -30   13    1 o  684.785  138.210   7.7601   2.8614   7.2700   4.2138   8.1794   3.8979  659.873  192.217  696.945  177.983 -37.07153 261.9644 
1 1 1  -30   13    3 o  1127.87   95.887   20.267   3.3542   21.226   4.8441   19.384   4.6491  1144.19  137.992  1092.44  139.066 51.75623 195.9107 
1 1 1  -30   13    5 o  499.841  149.877   4.0616   2.5317  -2.5747   3.8643   9.0517   3.3509  344.469  157.972  738.288  150.066 -393.8194 217.8881 
1 1 1  -30   13    7 o  338.723  146.493  -0.2617   2.8516   0.3700   3.7256  -1.1553   4.4312  404.157  170.900  402.844  178.173 1.312958 246.8861 
1 1 1  -30   13    9 o  696.979  155.489   8.1133   3.3072   7.8464   4.2699   8.5135   5.2285  683.156  191.761  713.130  215.738 -29.97406 288.6435 
1 1 1  -30   13   11 o  462.622  161.220   3.1280   2.8671   6.7812   3.6793  -2.5196   4.5748  636.563  177.769  382.884  174.170 253.6785 248.8718 
1 1 1  -30   13   13 o  996.240  115.741   15.996   3.5432   20.524   4.4284   7.9405   5.9069  1126.89  127.759  699.464  231.582 427.4206 264.4850 
1 1 1  -30   13   15 o  809.442  115.953   10.633   2.8549   14.260   4.2834   7.7339   3.8296  929.678  152.426  677.043  178.210 252.6354 234.5054 
1 1 1  -30   13   17 o  656.498  142.846   7.1836   2.8530   7.7940   4.4076   6.7435   3.7428  679.767  196.178  634.011  180.089 45.75653 266.3046 
1 1 1  -30   13   19 o  1852.81   87.658   54.321   5.0856   62.637   7.4230   46.964   6.9815  1976.89  120.492  1706.82  131.648 270.0754 178.4642 
1 1 1  -30   13   21 o  1247.13   95.797   24.820   3.7124   29.829   5.4400   20.454   5.0788  1357.86  129.515  1115.96  149.070 241.9049 197.4741 
1 1 1  -30   13   23 o  960.095  113.126   14.916   3.3356   12.285   5.0171   17.000   4.4655  845.525  193.662  1016.16  144.406 -170.6343 241.5737 
1 1 1  -30   13   25 o  589.488  171.790   5.8559   3.3651   7.0970   7.0369   5.4879   3.8316  681.672  250.775  578.154  186.212 103.5182 312.3505 
1 1 1  -30   13   27 o  1201.37  114.821   23.382   4.2667   23.316   8.3799   23.405   4.9574  1138.85  242.433  1194.50  134.906 -55.64795 277.4408 
1 1 1  -30   13   29 o  863.581  143.757   12.512   3.7507   7.1356   7.5533   14.272   4.3210  678.915  257.727  918.598  155.793 -239.6836 301.1558 
1 1 1  -30   13   31 o  427.710  162.600   2.3855   3.0092   0.8313   5.1946   3.1705   3.6917  465.139  199.402  478.244  180.510 -13.10486 268.9703 
1 1 1  -30   13   33 o  560.973  158.865   5.5206   2.9171   7.6438   4.2882   3.6918   3.9799  648.476  195.200  498.557  187.585 149.9187 270.7230 
1 1 1  -30   13   35 o  432.404  159.622   2.8251   2.8549  -0.5993   3.8791   6.8717   4.2169  370.395  165.101  609.548  195.248 -239.1536 255.6949 
1 1 1  -30   13   37 o  1605.46   92.353   42.259   4.6231   42.034   6.4507   42.497   6.6290  1564.24  132.962  1569.44  136.243 -5.206665 190.3706 
1 1 1  -30   13   39 o  308.112  138.762  -0.6891   2.8182  -1.1713   3.7604  -0.0712   4.2565  343.515  156.898  385.961  172.425 -42.44653 233.1253 
1 1 1  -30   13   41 o  1039.13  110.999   18.610   3.5558   15.350   4.9290   22.148   5.1346  875.001  185.649  1090.67  154.683 -215.6659 241.6456 
1 1 1  -30   13   43 f  282.589  135.581  -3.3547   3.4637  -4.1051   6.2353  -3.0199   4.1655  373.312  179.812  318.142  151.556 55.16910 235.1629 
1 1 1  -30   13   45 o  402.281  162.259   2.7732   3.1500   5.2106   4.3049  -0.0360   4.6216  486.899  191.890  371.695  171.305 115.2045 257.2299 
1 1 1  -30   13   47 o  1389.78  105.960   34.738   4.5764   40.333   6.3300   28.611   6.6240  1423.83  143.957  1100.64  199.551 323.1969 246.0574 
1 1 1  -30   13   49 o  704.686  165.459   11.332   3.5885   9.1794   4.6992   14.343   5.5582  550.985  204.513  669.951  224.718 -118.9659 303.8481 
1 1 1  -30   14    2 o  763.316  136.682   9.5780   3.1469   5.6484   4.5683   13.127   4.3412  603.038  203.719  889.982  161.738 -286.9438 260.1162 
1 1 1  -30   14    4 o  499.533  170.540   3.7524   3.2017   2.3325   5.6502   4.4239   3.8859  534.926  216.767  543.570  187.788 -8.643921 286.7964 
1 1 1  -30   14    6 o  465.466  168.620   2.9517   3.1640   5.6884   3.7947  -3.2900   5.7308  592.149  184.659  425.180  194.000 166.9687 267.8340 
1 1 1  -30   14    8 o  787.405  143.262   10.215   3.4021   7.1885   4.0658   17.282   6.2129  656.417  188.124  1011.69  203.179 -355.2717 276.8979 
1 1 1  -30   14   10 o  830.455  147.265   11.365   3.6892   13.747   4.6389   7.2657   6.0853  909.227  169.164  682.994  235.053 226.2333 289.5973 
1 1 1  -30   14   12 o  519.436  166.648   4.2811   3.0711   9.9212   3.8825  -5.1469   5.0196  770.102  165.904  363.174  171.020 406.9285 238.2694 
1 1 1  -30   14   14 o  922.335  114.795   13.724   3.2436   11.402   4.9150   15.516   4.3172  819.677  194.436  973.325  146.169 -153.6482 243.2506 
1 1 1  -30   14   16 o  1104.55  101.186   19.498   3.4607   15.332   5.2423   22.717   4.6074  956.050  181.759  1186.71  125.915 -230.6632 221.1124 
1 1 1  -30   14   18 o  1543.62   90.102   37.825   4.3361   40.151   6.4641   35.921   5.8466  1578.43  132.000  1494.30  126.132 84.12988 182.5740 
1 1 1  -30   14   20 o  759.778  135.733   9.5279   3.1107   4.6930   4.5991   13.605   4.2232  567.384  203.591  905.811  154.435 -338.4269 255.5378 
1 1 1  -30   14   22 o  2963.96  110.425  140.089   10.248  144.131   17.907  138.120   12.498  2944.64  195.319  2929.16  136.258 15.47192 238.1510 
1 1 1  -30   14   24 o  557.809  194.488   4.7840   4.1727   11.339   6.2321  -0.5421   5.6178  803.447  233.683  463.807  203.026 339.6396 309.5599 
1 1 1  -30   14   26 o  1187.84  115.719   22.855   4.2494   20.047   8.5763   23.768   4.8921  1045.59  262.375  1205.76  131.718 -160.1675 293.5818 
1 1 1  -30   14   28 o  1009.45  104.236   16.506   3.2473   15.543   4.5872   17.474   4.5976  958.971  158.288  1022.46  147.902 -63.48889 216.6335 
1 1 1  -30   14   30 o  670.070  156.228   7.7643   3.2175   3.0994   5.3155   10.462   4.0421  524.116  210.997  774.024  171.309 -249.9079 271.7840 
1 1 1  -30   14   32 o  588.839  154.746   6.0645   2.8905   10.677   4.1892   1.8724   3.9935  773.938  176.744  443.456  181.277 330.4824 253.1793 
1 1 1  -30   14   34 o  801.211  131.379   10.957   3.1817   7.2250   4.7160   14.076   4.3106  625.772  206.911  894.081  159.841 -268.3084 261.4599 
1 1 1  -30   14   36 o  444.020  161.597   3.1401   2.9108   2.1859   3.9681   4.2516   4.2828  440.895  180.518  511.523  194.097 -70.62784 265.0667 
1 1 1  -30   14   38 o  851.891  136.996   12.775   3.5305   10.794   5.0465   14.675   4.9409  728.851  209.792  875.873  185.909 -147.0220 280.3117 
1 1 1  -30   14   40 o  1110.65  112.263   21.103   3.8506   24.605   5.4153   17.521   5.4763  1160.64  152.715  938.531  192.797 222.1121 245.9526 
1 1 1  -30   14   42 o  838.032  143.476   12.989   3.6295   14.729   5.0153   11.075   5.2593  840.896  194.368  697.417  217.377 143.4797 291.6017 
1 1 1  -30   14   44 o  989.330  157.422   19.076   4.7133   19.250   7.9578   18.983   5.8497  808.232  268.852  920.258  207.908 -112.0266 339.8634 
1 1 1  -30   14   46 o  1323.78  127.781   32.670   5.2308   30.655   6.1817   37.753   9.8154  1219.11  166.275  1114.90  281.200 104.2104 326.6820 
1 1 1  -30   14   48 o  754.791  179.441   13.142   4.1787   12.312   4.7665   15.898   8.6865  680.701  206.001  598.921  257.335 81.77972 329.6325 
1 1 1  -30   15    1 o  1071.83  118.327   18.488   3.9050   19.550   5.1750   17.085   5.9510  1092.18  155.731  1007.14  195.757 85.04248 250.1464 
1 1 1  -30   15    3 o  337.809  153.279  -1.9179   3.5147  -1.9179   3.5147   0.0000   0.0000  337.809  153.279  ?   ?  0.000000 153.2785 
1 1 1  -30   15    5 o  503.715  211.578   1.0006   5.6487   1.0006   5.6487   0.0000   0.0000  503.715  211.578  ?   ?  0.000000 211.5776 
1 1 1  -30   15    7 o  338.676  154.654  -2.2670   3.6512  -2.2670   3.6512   0.0000   0.0000  338.676  154.654  ?   ?  0.000000 154.6545 
1 1 1  -30   15    9 f  781.125  153.326   10.114   3.6163   8.5242   4.6454   12.560   5.7613  712.003  200.071  858.131  214.889 -146.1283 293.6082 
1 1 1  -30   15   11 o  643.345  164.337   6.9241   3.3225   9.0824   4.2000   3.3148   5.4312  734.098  183.279  552.951  216.257 181.1472 283.4754 
1 1 1  -30   15   13 o  388.710  168.016  -0.2678   3.7468  -0.2678   3.7468   0.0000   0.0000  388.710  168.016  ?   ?  0.000000 168.0156 
1 1 1  -30   15   15 o  760.887  127.419   9.4745   2.9284   8.0255   4.1052   10.976   4.1787  690.013  185.845  809.297  170.291 -119.2844 252.0664 
1 1 1  -30   15   17 o  1570.99   87.882   39.134   4.3057   40.527   6.0852   37.738   6.0931  1589.24  123.248  1531.73  128.220 57.50964 177.8495 
1 1 1  -30   15   19 o  502.523  173.573   3.7931   3.3198   6.2223   6.5862   2.9657   3.8438  657.960  242.527  487.408  184.136 170.5524 304.5084 
1 1 1  -30   15   21 o  2106.41  103.219   70.562   6.8080   56.516   12.269   76.812   8.1835  1826.02  218.942  2188.74  119.861 -362.7189 249.6045 
1 1 1  -30   15   23 o  960.431  168.480   15.501   4.8820   16.845   7.4321   14.480   6.4748  972.236  244.401  906.454  228.259 65.78198 334.4156 
1 1 1  -30   15   25 o  830.981  124.457   11.352   3.1387   17.375   4.5440   5.8569   4.3406  1023.88  145.858  597.784  198.546 426.0922 246.3634 
1 1 1  -30   15   27 o  371.867  149.132   1.2403   2.6444   2.0824   4.0106   0.5926   3.5172  458.129  183.684  393.919  166.283 64.20984 247.7698 
1 1 1  -30   15   29 o  296.436  136.391  -1.9107   2.9129  -6.0018   5.1771  -0.0156   3.5236  351.035  167.704  375.762  162.676 -24.72705 233.6408 
1 1 1  -30   15   31 o  475.845  159.975   3.6995   2.8169   3.0877   4.0859   4.2537   3.8888  484.409  188.090  519.089  187.108 -34.67911 265.3059 
1 1 1  -30   15   33 o  988.300  112.473   16.183   3.4186   18.619   5.1741   14.295   4.5543  1030.04  166.070  899.007  167.962 131.0278 236.2002 
1 1 1  -30   15   35 o  724.103  150.278   9.2728   3.2957   5.6886   4.6041   13.039   4.7197  567.198  203.684  840.183  184.456 -272.9856 274.7931 
1 1 1  -30   15   37 o  1392.26  100.093   32.043   4.3344   32.819   6.0678   31.234   6.1938  1372.28  143.326  1330.96  151.308 41.31775 208.4140 
1 1 1  -30   15   39 o  585.208  168.848   6.5011   3.2654   0.4315   4.5307   13.062   4.7105  407.421  180.182  818.880  187.720 -411.4590 260.2002 
1 1 1  -30   15   41 o  450.919  180.413   3.1947   3.8602   5.6171   4.4330  -4.4045   7.8514  534.098  198.558  426.288  204.421 107.8101 284.9794 
1 1 1  -30   15   43 o  662.502  193.604   9.4368   4.2687   5.3153   4.9588   21.231   8.3885  513.376  204.794  873.726  274.891 -360.3495 342.7912 
1 1 1  -30   15   45 o  1074.02  197.306   25.190   6.3909   28.797   8.6527   20.860   9.4802  1017.06  267.953  763.459  288.997 253.6024 394.1042 
1 1 1  -30   15   47 o  798.348  176.239   13.945   4.2878   11.421   4.8576   22.850   9.1238  665.478  209.155  759.811  284.385 -94.33350 353.0168 
1 1 1  -30   16    2 o  887.181  162.730   13.078   4.3540   9.5251   5.0868   22.816   8.4208  748.881  208.982  1148.93  241.727 -400.0494 319.5391 
1 1 1  -30   16    4 o  561.539  188.548   4.8873   3.9130   4.8873   3.9130   0.0000   0.0000  561.539  188.548  ?   ?  0.000000 188.5479 
1 1 1  -30   16    6 o  866.287  179.911   12.587   4.7206   9.1040   7.5215   14.851   6.0636  757.475  261.286  933.587  212.230 -176.1121 336.6185 
1 1 1  -30   16    8 o  519.067  172.087   4.1778   3.2613   3.1418   4.1531   5.8443   5.2675  505.892  191.333  623.653  218.456 -117.7604 290.3990 
1 1 1  -30   16   10 o  567.691  175.092   5.2347   3.4224   3.7765   4.4163   7.4267   5.4148  535.008  198.325  678.179  221.591 -143.1705 297.3813 
1 1 1  -30   16   12 o  1385.76  108.507   30.650   4.6707   21.942   5.7872   46.918   7.9103  1155.57  164.592  1703.24  149.845 -547.6750 222.5846 
1 1 1  -30   16   14 f  321.129  140.878  -0.5854   2.7180  -4.5741   3.6452   4.4091   4.0790  297.473  141.728  546.839  192.200 -249.3666 238.8044 
1 1 1  -30   16   16 o  600.682  191.318   5.8538   4.0532   12.355   5.9602   0.2606   5.5283  846.849  222.045  480.899  205.921 365.9501 302.8327 
1 1 1  -30   16   18 o  1456.94  135.661   34.339   6.1178   33.647   9.1111   34.907   8.2557  1410.14  212.980  1449.07  186.259 -38.93457 282.9365 
1 1 1  -30   16   20 o  1719.43  128.856   47.687   6.8871   34.246   9.8306   60.642   9.6516  1409.62  230.704  1924.64  161.649 -515.0197 281.6996 
1 1 1  -30   16   22 o  486.509  174.002   3.4293   3.3568   1.6045   4.2574   6.4279   5.4575  458.263  187.232  637.371  222.412 -179.1084 290.7281 
1 1 1  -30   16   24 o  808.055  149.564   10.957   3.6449   10.189   4.4648   12.492   6.3113  767.000  187.481  836.589  232.542 -69.58838 298.7055 
1 1 1  -30   16   26 o  1376.30  112.477   30.667   4.8048   35.562   5.9865   21.804   8.0551  1474.33  131.042  1095.21  241.389 379.1244 274.6646 
1 1 1  -30   16   28 o  687.117  171.343   8.2342   3.6739   5.8807   4.6023   12.369   6.0999  594.780  204.431  820.965  228.762 -226.1851 306.7963 
1 1 1  -30   16   30 o  1209.33  117.787   24.034   4.4037   26.504   5.4156   19.213   7.5657  1258.77  139.758  1006.47  242.855 252.2996 280.1973 
1 1 1  -30   16   32 o  1281.72  121.428   27.227   4.8152   22.646   6.0083   35.454   8.0511  1135.53  174.571  1414.93  186.245 -279.3983 255.2690 
1 1 1  -30   16   34 o  1952.92  107.001   62.599   6.5183   56.505   8.1055   73.753   10.966  1822.39  143.197  2047.28  172.679 -224.8901 224.3290 
1 1 1  -30   16   36 o  784.187  204.287   11.888   5.0664   11.888   5.0664   0.0000   0.0000  784.187  204.287  ?   ?  0.000000 204.2867 
1 1 1  -30   16   38 o  472.890  194.378   2.8881   4.6233   2.8881   4.6233   0.0000   0.0000  472.890  194.378  ?   ?  0.000000 194.3780 
1 1 1  -30   16   40 o  1810.29  139.097   57.807   7.8244   57.807   7.8244   0.0000   0.0000  1810.29  139.097  ?   ?  0.000000 139.0972 
1 1 1  -30   16   42 o  532.838  203.070   5.6635   4.7009   5.6635   4.7009   0.0000   0.0000  532.838  203.070  ?   ?  0.000000 203.0697 
1 1 1  -30   16   44 o  1427.16  147.557   38.213   6.4988   38.213   6.4988   0.0000   0.0000  1427.16  147.557  ?   ?  0.000000 147.5568 
1 1 1  -30   16   46 o  577.431  245.676   10.219   7.7782   10.219   7.7782   0.0000   0.0000  577.431  245.676  ?   ?  0.000000 245.6762 
1 1 1  -30   17    1 o  907.424  168.839   13.764   4.6208   15.808   5.3202   7.4885   9.3231  969.694  181.899  742.145  285.228 227.5486 338.2935 
1 1 1  -30   17    3 o  1103.38  109.579   19.532   3.7358   22.950   5.5258   16.654   5.0701  1184.51  152.527  1001.57  167.586 182.9403 226.6049 
1 1 1  -30   17    5 o  778.320  142.738   10.005   3.3505   7.8001   4.6221   12.446   4.8637  682.247  202.047  858.253  186.326 -176.0050 274.8461 
1 1 1  -30   17    7 o  859.180  154.844   12.223   4.0125   10.298   7.7525   12.928   4.6895  790.827  265.394  878.007  176.693 -87.17993 318.8327 
1 1 1  -30   17    9 o  256.413  121.242  -2.9238   2.5706  -6.3291   3.3885   1.6934   3.9457  257.993  126.154  451.754  181.815 -193.7609 221.2949 
1 1 1  -30   17   11 o  488.388  156.692   3.7754   2.7151   0.7905   3.7697   6.9928   3.9137  417.516  173.916  646.328  184.352 -228.8129 253.4417 
1 1 1  -30   17   13 o  489.253  179.222   3.2350   3.5887  -4.6859   6.9959   6.0636   4.1806  456.267  210.451  610.656  194.281 -154.3894 286.4172 
1 1 1  -30   17   15 o  724.323  196.274   8.9257   4.5624   3.2054   7.3432   12.522   5.8226  604.675  246.341  852.017  217.505 -247.3422 328.6220 
1 1 1  -30   17   17 o  856.915  184.525   12.467   4.8048   10.495   7.6532   13.750   6.1730  789.563  263.694  889.743  222.229 -100.1800 344.8483 
1 1 1  -30   17   19 o  344.244  151.148  -0.6186   3.1346   0.5152   4.0028  -2.4163   5.0405  418.867  177.134  404.924  183.665 13.94287 255.1651 
1 1 1  -30   17   21 f  1895.16  105.985   57.477   6.2642   54.132   7.7276   63.887   10.697  1826.21  136.115  1962.23  175.976 -136.0238 222.4750 
1 1 1  -30   17   23 o  566.791  177.210   5.3455   3.4922   6.2099   4.4099   3.8918   5.7189  611.840  199.977  566.153  221.776 45.68744 298.6223 
1 1 1  -30   17   25 o  491.082  175.257   3.5987   3.4037   6.9175   4.2590  -2.2672   5.6623  634.826  195.247  429.981  194.884 204.8447 275.8642 
1 1 1  -30   17   27 o  359.463  156.944  -0.3144   3.3378   1.6873   4.1366  -4.0496   5.6506  449.840  184.261  399.452  185.927 50.38797 261.7646 
1 1 1  -30   17   29 f  1073.56  157.901   19.613   5.1494   19.613   5.1494   0.0000   0.0000  1073.56  157.901  ?   ?  0.000000 157.9012 
1 1 1  -30   17   31 f  746.396  200.064   10.176   4.7710   10.176   4.7710   0.0000   0.0000  746.396  200.064  ?   ?  0.000000 200.0643 
1 1 1  -30   17   33 o  720.034  198.932   9.6104   4.6339   9.6104   4.6339   0.0000   0.0000  720.034  198.932  ?   ?  0.000000 198.9324 
1 1 1  -30   17   35 o  638.913  203.690   7.6591   4.5936   7.6591   4.5936   0.0000   0.0000  638.913  203.690  ?   ?  0.000000 203.6903 
1 1 1  -30   17   37 o  305.077  145.957  -4.3423   3.9513  -4.3423   3.9513   0.0000   0.0000  305.077  145.957  ?   ?  0.000000 145.9571 
1 1 1  -30   17   39 o  912.816  183.686   15.828   5.0684   15.828   5.0684   0.0000   0.0000  912.816  183.686  ?   ?  0.000000 183.6857 
1 1 1  -30   17   41 o  581.891  200.374   6.8509   4.4225   6.8509   4.4225   0.0000   0.0000  581.891  200.374  ?   ?  0.000000 200.3742 
1 1 1  -30   17   43 o  500.618  200.868   4.6652   4.8000   4.6652   4.8000   0.0000   0.0000  500.618  200.868  ?   ?  0.000000 200.8677 
1 1 1  -30   18    2 o  365.702  152.905   0.5140   2.9293   1.4246   4.0483  -0.4868   4.2440  446.966  182.592  406.953  177.345 40.01273 254.5405 
1 1 1  -30   18    4 o  698.219  155.611   8.1687   3.3152   7.3058   4.6062   9.0959   4.7751  662.084  202.953  730.847  201.948 -68.76288 286.3091 
1 1 1  -30   18    6 o  779.565  141.270   10.040   3.3214   14.189   4.5656   5.3753   4.8409  923.585  163.874  596.858  209.404 326.7278 265.9039 
1 1 1  -30   18    8 o  508.152  185.318   3.5521   3.8309   8.6875   7.3806   1.6585   4.4819  740.019  258.625  472.055  192.398 267.9642 322.3412 
1 1 1  -30   18   10 o  1150.59  134.608   21.481   4.7580   10.873   8.7058   25.999   5.6816  813.167  281.070  1263.45  146.321 -450.2812 316.8759 
1 1 1  -30   18   12 o  1148.23  131.055   21.367   4.6275   27.002   7.9952   18.529   5.6746  1262.92  209.523  1052.98  178.482 209.9359 275.2380 
1 1 1  -30   18   14 o  546.871  182.408   4.6991   3.6622   1.1064   7.2812   5.9158   4.2372  559.396  237.843  604.331  195.944 -44.93500 308.1613 
1 1 1  -30   18   16 o  828.071  134.564   11.279   3.3693   18.477   4.5852   2.8310   4.9677  1062.40  141.339  520.393  205.801 542.0071 249.6608 
1 1 1  -30   18   18 o  237.509  115.746  -4.9217   2.7839  -5.5483   3.4893  -3.8243   4.6175  273.182  132.303  360.603  167.920 -87.42090 213.7791 
1 1 1  -30   18   20 o  432.860  170.790   1.9098   3.4139   2.2086   4.3119   1.4078   5.5889  477.309  190.781  503.584  210.933 -26.27521 284.4118 
1 1 1  -30   18   22 f  519.657  184.136   4.0585   3.7509   4.7280   4.4162   2.3254   7.1058  559.080  199.620  570.003  238.221 -10.92346 310.8010 
1 1 1  -30   18   24 o  469.216  178.594   2.8058   3.6331   2.7650   4.0860   2.9602   7.9390  483.065  187.947  601.719  251.665 -118.6534 314.1002 
1 1 1  -30   18   26 o  506.374  181.359   3.8683   3.6479   0.0770   4.2367   14.736   7.1729  413.470  178.690  892.505  247.844 -479.0345 305.5437 
1 1 1  -30   18   28 o  703.537  181.088   8.7097   4.0128   4.9095   4.8268   17.214   7.2208  565.585  207.750  961.851  240.411 -396.2659 317.7383 
1 1 1  -30   18   30 o  508.081  178.569   4.1118   3.5209   4.3280   4.2238   3.6193   6.3743  530.524  194.420  561.835  229.272 -31.31116 300.6075 
1 1 1  -30   18   32 o  1232.31  152.161   25.890   5.7467   25.890   5.7467   0.0000   0.0000  1232.31  152.161  ?   ?  0.000000 152.1613 
1 1 1  -30   18   34 o  1463.87  149.082   36.647   6.7381   36.647   6.7381   0.0000   0.0000  1463.87  149.082  ?   ?  0.000000 149.0817 
1 1 1  -30   18   36 o  811.016  207.415   12.631   5.2882   12.631   5.2882   0.0000   0.0000  811.016  207.415  ?   ?  0.000000 207.4148 
1 1 1  -30   18   38 o  446.417  190.672   1.5697   4.7182   1.5697   4.7182   0.0000   0.0000  446.417  190.672  ?   ?  0.000000 190.6720 
1 1 1  -30   18   40 o  934.078  186.013   16.723   5.2494   16.723   5.2494   0.0000   0.0000  934.078  186.013  ?   ?  0.000000 186.0131 
1 1 1  -30   18   42 o  720.510  210.018   11.068   5.0289   11.068   5.0289   0.0000   0.0000  720.510  210.018  ?   ?  0.000000 210.0179 
1 1 1  -30   19    1 o  736.273  156.659   9.0905   3.5007   11.043   4.8072   6.8855   5.1080  803.633  193.380  651.188  215.342 152.4453 289.4268 
1 1 1  -30   19    3 o  348.071  152.178  -0.5274   3.1477  -1.8862   4.1545   1.3037   4.8228  372.438  168.036  475.600  197.296 -103.1622 259.1556 
1 1 1  -30   19    5 o  643.186  165.859   6.9657   3.3620   7.6563   4.6017   6.1749   4.9237  675.038  201.986  624.919  211.495 50.11884 292.4520 
1 1 1  -30   19    7 o  550.672  197.949   4.3662   4.3495   3.0138   8.0849   4.9171   5.1599  621.315  256.408  588.788  215.021 32.52679 334.6328 
1 1 1  -30   19    9 o  571.404  193.881   5.0787   4.1379   4.8613   7.8239   5.1631   4.8756  652.982  258.261  589.969  209.841 63.01318 332.7643 
1 1 1  -30   19   11 o  662.344  193.314   7.3853   4.2583   3.0028   8.0452   9.0910   5.0190  619.388  255.708  730.224  208.936 -110.8362 330.2134 
1 1 1  -30   19   13 o  756.641  175.974   9.7040   4.0905   9.9704   4.5330   8.5360   9.4915  764.218  190.190  765.151  289.282 -0.9327393 346.2029 
1 1 1  -30   19   15 o  276.506  134.190  -5.9733   3.6369  -2.0030   4.0189 -23.9306   8.5471  362.416  164.230  351.247  176.386 11.16809 241.0050 
1 1 1  -30   19   17 o  1157.27  136.747   21.851   4.8595   25.333   5.7273   12.901   9.1824  1242.23  150.300  859.815  288.832 382.4142 325.5982 
1 1 1  -30   19   19 o  612.947  183.513   6.3199   3.7976   8.2920   4.3195  -0.3940   7.9701  695.188  192.064  550.508  241.380 144.6797 308.4683 
1 1 1  -30   19   21 o  1120.96  138.068   20.621   4.7437   18.922   5.4883   25.636   9.4325  1060.39  171.120  1190.71  260.257 -130.3257 311.4728 
1 1 1  -30   19   23 o  606.632  192.083   6.1800   4.0903   8.5445   4.7886  -0.2009   7.8665  701.079  205.105  545.589  239.500 155.4899 315.3227 
1 1 1  -30   19   25 o  593.493  201.280   5.7718   4.4597   5.7718   4.4597   0.0000   0.0000  593.493  201.280  ?   ?  0.000000 201.2803 
1 1 1  -30   19   27 o  636.307  201.740   6.9959   4.5108   7.7103   5.5438   5.5963   7.7595  668.570  224.426  645.276  256.569 23.29443 340.8729 
1 1 1  -30   19   29 o  673.246  188.327   8.0218   4.1258   6.3850   4.6582   13.979   8.8869  611.687  205.719  849.700  284.153 -238.0132 350.8035 
1 1 1  -30   19   31 o  841.138  175.110   12.451   4.4621   8.6805   5.2744   21.945   8.3686  690.587  218.062  1067.76  253.997 -377.1735 334.7620 
1 1 1  -30   19   33 o  894.172  168.940   14.062   4.5568   6.4378   5.3325   34.700   8.7730  610.837  219.220  1380.40  209.552 -769.5642 303.2644 
1 1 1  -30   19   35 o  708.442  197.575   9.3604   4.5481   4.4299   5.1930   25.595   9.4231  543.206  211.732  1110.97  272.862 -567.7627 345.3754 
1 1 1  -30   19   37 o  810.999  186.966   12.254   4.6507   12.159   5.2878   12.578   9.7723  791.903  209.872  756.989  291.729 34.91455 359.3778 
1 1 1  -30   19   39 o  1274.02  136.495   28.088   5.3604   27.512   6.3398   29.533   10.039  1231.17  168.904  1140.36  282.583 90.80469 329.2142 
1 1 1  -30   20    2 o  418.609  177.314   0.4289   4.0214   2.2725   4.3243 -11.3679   10.938  482.578  191.641  519.615  246.980 -37.03763 312.6111 
1 1 1  -30   20    4 o  1013.63  285.822   18.438   9.4636   18.438   9.4636   0.0000   0.0000  1013.63  285.822  ?   ?  0.000000 285.8217 
1 1 1  -30   20    6 o  745.148  251.173   9.1055   6.9442   10.874   8.9584   6.4435   10.992  814.652  284.917  753.542  303.396 61.11053 416.2057 
1 1 1  -30   20    8 o  821.500  250.673   11.640   7.0368   1.4452   8.7607   30.175   11.813  611.612  260.487  1291.89  298.086 -680.2737 395.8647 
1 1 1  -30   20   10 f  833.107  178.627   11.729   4.5199   9.7295   4.9594   21.537   10.982  754.189  204.745  1086.02  308.488 -331.8259 370.2511 
1 1 1  -30   20   12 o  749.172  192.415   9.5796   4.5374   11.080   5.0160   2.8223   10.644  803.972  200.055  682.788  288.804 121.1840 351.3257 
1 1 1  -30   20   14 o  601.310  197.761   5.8224   4.3102   3.6439   4.7505   15.967   10.251  537.407  204.300  944.856  304.607 -407.4487 366.7755 
1 1 1  -30   20   16 o  627.347  191.781   6.5727   4.1163   4.6091   4.5076   16.431   10.100  561.073  201.531  953.459  301.834 -392.3857 362.9305 
1 1 1  -30   20   18 o  859.567  174.657   12.517   4.5406   15.601   5.0534  -0.4078   10.345  962.325  174.114  621.074  273.586 341.2505 324.2920 
1 1 1  -30   20   20 o  647.487  190.399   7.1262   4.1171   10.458   4.5369  -8.4190   9.7997  779.463  188.053  506.511  238.651 272.9512 303.8389 
1 1 1  -30   20   22 o  1340.20  128.771   29.221   5.3374   28.521   6.2682   31.069   10.179  1312.80  155.508  1314.99  256.423 -2.192871 299.8926 
1 1 1  -30   20   24 o  329.513  151.702  -2.4206   3.6112  -2.9755   3.9482   0.4193   8.9322  337.833  156.621  585.896  256.249 -248.0631 300.3224 
1 1 1  -30   20   26 o  448.012  188.199   1.0545   4.4700   4.4255   5.1439  -9.3423   9.0337  562.393  212.881  465.810  222.257 96.58255 307.7601 
1 1 1  -30   20   28 o  776.610  180.075   10.544   4.2938   10.056   4.9331   12.068   8.7213  750.666  204.377  808.427  281.212 -57.76068 347.6351 
1 1 1  -30   20   30 o  554.667  199.856   4.8525   4.4362   4.4630   5.0629   6.1400   9.2057  555.372  210.962  674.660  275.444 -119.2878 346.9506 
1 1 1  -30   20   32 o  1028.51  166.608   18.298   5.1821   12.330   5.7745   42.988   11.745  813.669  220.949  1500.31  259.400 -686.6451 340.7450 
1 1 1  -30   20   34 o  1082.00  159.292   20.242   5.2353   20.913   6.0100   18.129   10.661  1084.11  183.597  910.154  311.188 173.9603 361.3112 
1 1 1  -30   20   36 o  838.133  189.221   12.932   4.8483   12.491   5.5314   14.396   10.072  806.797  215.047  810.791  299.710 -3.994141 368.8783 
1 1 1  -30   20   38 o  482.001  196.379   2.9138   4.6671   1.1549   5.2980   9.0069   9.8610  458.543  198.993  683.856  282.773 -225.3123 345.7728 
1 1 1  -30   21    1 o  766.444  262.469   9.6172   7.5841  -0.2512   9.4377   27.607   12.742  603.632  263.719  1219.98  326.937 -616.3472 420.0424 
1 1 1  -30   21    3 o  619.694  247.210   4.0354   7.2256   6.2894   8.9401  -0.2107   12.270  709.451  277.457  680.757  298.971 28.69391 407.8798 
1 1 1  -30   21    5 o  598.776  243.957   3.1024   7.2025   11.580   8.8229 -13.8336   12.470  832.022  283.104  545.545  260.532 286.4769 384.7400 
1 1 1  -30   21    7 o  333.203  155.357  -3.4950   3.9723  -2.9809   4.2065  -7.7311   12.075  354.860  163.504  589.316  273.453 -234.4554 318.6065 
1 1 1  -30   21    9 o  453.096  181.000   1.8603   3.8786   2.0226   4.0911   0.4175   12.194  466.616  186.055  687.393  300.056 -220.7762 353.0579 
1 1 1  -30   21   11 o  461.991  188.214   1.5970   4.2867   1.8219   4.5786  -0.0001   12.201  479.796  194.884  681.221  298.674 -201.4255 356.6316 
1 1 1  -30   21   13 o  864.662  197.632   12.782   5.2341   12.782   5.2341   0.0000   0.0000  864.662  197.632  ?   ?  0.000000 197.6317 
1 1 1  -30   21   15 o  651.356  196.830   7.1130   4.3539   6.7429   4.6825   9.4756   11.832  640.472  205.807  819.336  319.537 -178.8641 380.0793 
1 1 1  -30   21   17 o  468.863  185.544   2.2115   4.0404   2.5731   4.2726  -0.8468   12.425  488.430  191.589  670.542  297.373 -182.1115 353.7473 
1 1 1  -30   21   19 o  692.052  193.839   8.1928   4.3678   6.8433   4.7410   15.766   11.231  642.658  207.150  935.669  319.411 -293.0113 380.7027 
1 1 1  -30   21   21 o  739.537  199.962   9.4631   4.7416   9.1709   5.2581   10.735   10.970  728.218  215.463  821.028  310.855 -92.81036 378.2261 
1 1 1  -30   21   23 o  386.920  169.873  -0.6206   3.9587   1.4487   4.2822 -12.7851   10.382  453.587  186.830  482.802  232.423 -29.21558 298.2039 
1 1 1  -30   21   25 o  911.301  207.219   14.601   5.7793   3.2477   6.8394   42.949   10.807  579.650  237.124  1565.72  227.062 -986.0686 328.3060 
1 1 1  -30   21   27 o  339.176  156.157  -2.4933   3.8269  -2.4611   4.1737  -2.6633   9.5879  357.989  164.174  556.907  252.874 -198.9182 301.4931 
1 1 1  -30   21   29 o  540.298  196.779   4.4177   4.3173   3.3455   4.7938   9.0210   9.9328  518.907  203.107  748.750  292.559 -229.8436 356.1504 
1 1 1  -30   21   31 o  373.996  169.796  -1.8391   4.3209  -5.7163   4.8281   13.760   9.6844  337.840  161.553  841.009  296.103 -503.1696 337.3080 
1 1 1  -30   21   33 o  657.268  203.535   7.7812   4.6193   7.5085   5.1612   8.8790   10.356  648.647  216.549  729.972  294.284 -81.32562 365.3723 
1 1 1  -30   21   35 o  662.123  199.469   8.0455   4.4765   8.9285   4.9472   4.0562   10.516  692.568  209.930  640.067  279.038 52.50110 349.1889 
1 1 1  -30   22    2 o  794.832  278.303   10.189   8.5484   4.1332   10.030   26.263   16.342  693.531  285.830  1178.00  384.961 -484.4720 479.4722 
1 1 1  -30   22    4 o  770.180  203.360   10.118   4.9767   9.6259   5.2377   14.687   15.963  751.887  212.854  969.631  373.089 -217.7438 429.5375 
1 1 1  -30   22    6 o  421.189  202.315 -10.3500   7.7623 -16.6807   9.3044   4.1429   14.078  424.326  207.817  782.055  331.539 -357.7297 391.2880 
1 1 1  -30   22    8 o  432.248  183.924   0.3150   4.3603   0.8455   4.5816  -4.7816   14.201  455.164  190.833  676.893  307.506 -221.7296 361.9076 
1 1 1  -30   22   10 o  517.871  199.762   3.1157   4.5853   3.7604   4.7911  -3.9088   15.816  543.954  205.559  722.678  326.792 -178.7239 386.0665 
1 1 1  -30   22   12 o  756.011  214.567   9.7602   5.3154   9.7602   5.3154   0.0000   0.0000  756.011  214.567  ?   ?  0.000000 214.5670 
1 1 1  -30   22   14 o  510.314  200.247   2.7919   4.6691   0.9609   4.9694   16.582   13.638  473.281  198.603  977.820  350.618 -504.5387 402.9597 
1 1 1  -30   22   16 o  632.756  294.819  -8.9942   14.265   0.0000   0.0000  -8.9942   14.265  ?   ?   632.756  294.819 0.000000 294.8185 
1 1 1  -30   22   18 o  791.569  216.230   10.843   5.5112   10.843   5.5112   0.0000   0.0000  791.569  216.230  ?   ?  0.000000 216.2300 
1 1 1  -30   22   20 o  307.845  148.514  -6.3565   4.2954  -6.5673   4.5954  -4.8984   12.088  320.858  154.503  612.688  280.394 -291.8305 320.1433 
1 1 1  -30   22   22 o  536.908  200.089   3.9376   4.5070  -0.4329   4.8088   35.505   12.924  431.918  188.485  1379.63  307.074 -947.7073 360.3072 
1 1 1  -30   22   24 o  344.041  163.352  -5.3370   4.7602  -5.3370   4.7602   0.0000   0.0000  344.041  163.352  ?   ?  0.000000 163.3519 
1 1 1  -30   22   26 o  532.746  202.585   3.7655   4.6719   4.3597   5.1752   1.1488   10.860  563.766  213.497  645.713  282.480 -81.94611 354.0847 
1 1 1  -30   22   28 o  425.884  181.477   0.5273   4.2561  -0.0875   4.6471   3.7260   10.600  428.353  186.130  672.616  286.503 -244.2630 341.6553 
1 1 1  -30   22   30 o  545.843  200.803   4.4622   4.5118   6.6848   4.9526  -6.3833   10.940  627.828  212.116  547.083  255.984 80.74500 332.4464 
1 1 1  -30   22   32 o  558.594  203.426   4.8906   4.6138   4.2292   5.0904   7.9344   10.920  548.297  210.753  729.734  299.198 -181.4368 365.9730 
1 1 1  -30   23    1 o  280.579  135.012  -5.1027   3.4937  -5.6750   3.5776   6.6786   16.232  277.662  134.346  857.248  359.295 -579.5862 383.5903 
1 1 1  -30   23    3 o  477.243  201.446   0.7335   5.1615   0.8651   5.4389  -0.4584   16.371  491.327  207.057  774.481  342.509 -283.1539 400.2309 
1 1 1  -30   23    5 o  656.852  213.279   6.9893   5.0191   7.0404   5.2287   6.3893   17.910  661.510  217.827  883.047  374.125 -221.5367 432.9184 
1 1 1  -30   23    7 o  395.592  180.653  -2.9386   4.9827  -2.9859   5.2435  -2.4991   15.996  407.187  185.705  744.965  333.428 -337.7781 381.6552 
1 1 1  -30   23    9 o  398.016  174.444  -0.7446   4.1588   1.0558   4.3055 -25.8280   16.071  449.203  186.386  563.401  275.333 -114.1980 332.4872 
1 1 1  -30   23   11 o  938.149  380.476   11.316   17.423   0.0000   0.0000   11.316   17.423  ?   ?   938.149  380.476 0.000000 380.4760 
1 1 1  -30   23   13 o  1021.95  178.454   17.440   5.5027   14.319   5.8693   40.108   15.818  914.663  209.442  1467.26  349.325 -552.5939 407.3010 
1 1 1  -30   23   15 o  478.832  202.219   0.7726   5.2055   0.7726   5.2055   0.0000   0.0000  478.832  202.219  ?   ?  0.000000 202.2194 
1 1 1  -30   23   17 o  608.037  212.300   5.6574   4.9728   5.6574   4.9728   0.0000   0.0000  608.037  212.300  ?   ?  0.000000 212.2999 
1 1 1  -30   23   19 o  722.432  203.699   8.9201   4.8068   9.1075   5.1377   7.6037   13.614  729.862  212.143  815.346  334.164 -85.48450 395.8163 
1 1 1  -30   23   21 o  570.469  203.455   4.8455   4.5863   5.4207   4.9117   0.9304   12.814  596.643  210.788  700.939  306.732 -104.2963 372.1768 
1 1 1  -30   23   23 o  711.862  250.700   8.1971   6.9426   8.1971   6.9426   0.0000   0.0000  711.862  250.700  ?   ?  0.000000 250.6999 
1 1 1  -30   23   25 o  649.207  208.422   7.0865   4.8031   8.8241   5.1433  -4.7590   13.429  713.910  213.526  640.987  294.151 72.92340 363.4807 
1 1 1  -30   23   27 o  744.620  205.021   9.7255   4.9317   10.911   5.3165   2.4118   13.205  786.191  211.386  712.240  311.533 73.95099 376.4797 
1 1 1  -30   24    2 o  330.431  157.187  -5.3948   4.4481  -5.5945   4.6200  -2.8606   16.459  336.675  160.169  752.961  337.528 -416.2856 373.6030 
1 1 1  -30   24    4 o  474.925  198.846   0.9527   4.9637   0.9527   4.9637   0.0000   0.0000  474.925  198.846  ?   ?  0.000000 198.8456 
1 1 1  -30   24    6 o  689.044  222.664   7.7310   5.4751   6.4571   5.7707   19.220   17.330  652.560  228.649  1065.72  393.304 -413.1594 454.9378 
1 1 1  -30   24    8 o  754.849  245.288   9.3903   6.6383   9.3903   6.6383   0.0000   0.0000  754.849  245.288  ?   ?  0.000000 245.2882 
1 1 1  -30   24   10 o  1171.16  205.451   23.076   7.2595   25.493   8.0012   11.825   17.264  1228.20  215.933  948.534  380.821 279.6674 437.7805 
1 1 1  -30   24   12 o  672.855  312.867  -9.9279   15.936   0.0000   0.0000  -9.9279   15.936  ?   ?   672.855  312.867 0.000000 312.8673 
1 1 1  -30   24   14 o  641.667  231.745   6.0110   5.9698   5.5982   6.3696   8.9926   17.120  638.870  237.911  902.495  372.836 -263.6252 442.2764 
1 1 1  -30   24   16 o  744.843  251.865   9.0266   6.9828   9.0266   6.9828   0.0000   0.0000  744.843  251.865  ?   ?  0.000000 251.8651 
1 1 1  -30   24   18 o  337.439  158.503  -4.2024   4.2645  -6.1787   4.4434   18.864   15.180  318.861  153.138  1030.79  369.880 -711.9269 400.3275 
1 1 1  -30   24   20 o  1096.72  185.955   20.220   6.1578   22.651   6.6809   6.4965   15.874  1160.32  190.494  837.886  353.454 322.4393 401.5195 
1 1 1  -30   24   22 f  940.901  216.516   15.374   6.2465   14.971   6.8835   17.254   14.868  921.901  237.111  987.011  364.287 -65.10956 434.6573 
1 1 1  -29    0    1 o  277.254  177.627   0.2974   3.4797   0.2974   3.4797   0.2974   3.4797  277.254  177.627  277.254  177.627 -0.000000 0.000000 
1 1 1  -29    0    3 o  640.557  187.788   8.0347   3.2720   8.0347   3.2720   8.0347   3.2720  640.557  187.788  640.557  187.788 -0.000000 0.000000 
1 1 1  -29    0    5 o  1629.17  118.870   42.759   5.9898   42.759   5.9898   42.759   5.9898  1629.17  118.870  1629.17  118.870 -0.000000 0.000000 
1 1 1  -29    0    7 o  548.248  200.803   6.4351   3.1817   6.4351   3.1817   6.4351   3.1817  548.248  200.803  548.248  200.803 -0.000000 0.000000 
1 1 1  -29    0    9 o  237.339  154.071  -0.0850   2.7332  -0.0850   2.7332  -0.0850   2.7332  237.339  154.071  237.339  154.071 -0.000000 0.000000 
1 1 1  -29    0   11 o  226.719  151.128  -0.8311   2.9122  -0.8311   2.9122  -0.8311   2.9122  226.719  151.128  226.719  151.128 -0.000000 0.000000 
1 1 1  -29    0   13 o  610.670  191.380   7.4873   3.2117   7.4873   3.2117   7.4873   3.2117  610.670  191.380  610.670  191.380 -0.000000 0.000000 
1 1 1  -29    0   15 o  1327.27  118.703   28.596   4.8425   28.596   4.8425   28.596   4.8425  1327.27  118.703  1327.27  118.703 -0.000000 0.000000 
1 1 1  -29    0   17 o  1255.97  126.144   25.788   4.8462   25.788   4.8462   25.788   4.8462  1255.97  126.144  1255.97  126.144 -0.000000 0.000000 
1 1 1  -29    0   19 o  1384.65  122.133   31.107   5.2005   31.107   5.2005   31.107   5.2005  1384.65  122.133  1384.65  122.133 -0.000000 0.000000 
1 1 1  -29    0   21 o  2301.27  121.253   84.680   8.6819   84.680   8.6819   84.680   8.6819  2301.27  121.253  2301.27  121.253 -0.000000 0.000000 
1 1 1  -29    0   23 f  1149.00  137.252   21.856   4.7519   21.856   4.7519   21.856   4.7519  1149.00  137.252  1149.00  137.252 -0.000000 0.000000 
1 1 1  -29    0   25 o  678.360  190.691   8.8839   3.5063   8.8839   3.5063   8.8839   3.5063  678.360  190.691  678.360  190.691 -0.000000 0.000000 
1 1 1  -29    0   27 o  1848.74  117.999   54.795   6.7670   54.795   6.7670   54.795   6.7670  1848.74  117.999  1848.74  117.999 -0.000000 0.000000 
1 1 1  -29    0   29 o  1603.65  118.209   41.398   5.8616   41.398   5.8616   41.398   5.8616  1603.65  118.209  1603.65  118.209 -0.000000 0.000000 
1 1 1  -29    0   31 o  1375.36  125.708   30.753   5.3097   30.753   5.3097   30.753   5.3097  1375.36  125.708  1375.36  125.708 -0.000000 0.000000 
1 1 1  -29    0   33 o  3577.92  215.656  210.872   23.960  210.872   23.960  210.872   23.960  3577.92  215.656  3577.92  215.656 -0.000000 0.000000 
1 1 1  -29    0   35 o  804.496  182.409   11.796   4.0066   11.796   4.0066   11.796   4.0066  804.496  182.409  804.496  182.409 -0.000000 0.000000 
1 1 1  -29    0   37 o  683.584  276.636   10.661   5.7906   10.661   5.7906   10.661   5.7906  683.584  276.636  683.584  276.636 -0.000000 0.000000 
1 1 1  -29    0   39 o  1491.58  184.358   37.406   8.2571   37.406   8.2571   37.406   8.2571  1491.58  184.358  1491.58  184.358 -0.000000 0.000000 
1 1 1  -29    0   41 o  201.142  143.925  -6.2914   4.1723  -6.2914   4.1723  -6.2914   4.1723  201.142  143.925  201.142  143.925 -0.000000 0.000000 
1 1 1  -29    0   43 o  358.502  222.590   1.7719   5.0078   1.7719   5.0078   1.7719   5.0078  358.502  222.590  358.502  222.590 -0.000000 0.000000 
1 1 1  -29    0   45 o  995.275  166.182   17.259   4.7449   17.259   4.7449   17.259   4.7449  995.275  166.182  995.275  166.182 -0.000000 0.000000 
1 1 1  -29    0   47 o  2865.61  135.419  133.337   12.089  133.337   12.089  133.337   12.089  2865.61  135.419  2865.61  135.419 -0.000000 0.000000 
1 1 1  -29    0   49 o  2453.51  125.771   97.773   9.6045   97.773   9.6045   97.773   9.6045  2453.51  125.771  2453.51  125.771 -0.000000 0.000000 
1 1 1  -29    0   51 o  335.768  205.242   2.0276   4.1039   2.0276   4.1039   2.0276   4.1039  335.768  205.242  335.768  205.242 -0.000000 0.000000 
1 1 1  -29    0   53 o  274.086  178.567   0.1090   3.7164   0.1090   3.7164   0.1090   3.7164  274.086  178.567  274.086  178.567 -0.000000 0.000000 
1 1 1  -29    0   55 o  1400.45  133.614   32.810   5.7367   32.810   5.7367   32.810   5.7367  1400.45  133.614  1400.45  133.614 -0.000000 0.000000 
1 1 1  -29    0   57 o  560.567  244.740   7.8866   4.4665   7.8866   4.4665   7.8866   4.4665  560.567  244.740  560.567  244.740 -0.000000 0.000000 
1 1 1  -29    1    2 o  1281.63   81.572   26.127   3.2565   28.039   4.6581   24.299   4.5545  1318.30  113.965  1224.47  120.344 93.82544 165.7430 
1 1 1  -29    1    4 o  649.772  115.760   6.9619   2.2689   6.9124   3.0521   7.0231   3.3921  638.367  154.383  641.594  167.167 -3.228027 227.5494 
1 1 1  -29    1    6 o  357.566  135.331   1.5435   2.0786   2.4162   2.9330   0.6629   2.9463  431.136  161.266  369.043  153.743 62.09299 222.8079 
1 1 1  -29    1    8 o  727.799  107.419   8.6484   2.3744   9.3972   3.3966   7.9327   3.3205  746.356  150.534  682.553  158.417 63.80316 218.5321 
1 1 1  -29    1   10 o  940.393   90.292   14.194   2.6260   15.771   3.7223   12.631   3.7053  981.687  123.851  871.401  140.581 110.2862 187.3557 
1 1 1  -29    1   12 o  688.354  115.469   7.8096   2.4007   8.8774   3.3760   6.7174   3.4145  723.313  153.795  626.042  169.859 97.27161 229.1400 
1 1 1  -29    1   14 o  437.237  134.716   3.1194   2.0266   3.6868   2.8842   2.5662   2.8481  482.752  161.877  433.126  159.510 49.62521 227.2615 
1 1 1  -29    1   16 o  780.961  111.065   9.9766   2.6395   10.926   3.6492   8.9351   3.8223  804.965  150.305  719.854  171.939 85.11066 228.3739 
1 1 1  -29    1   18 o  580.487  130.802   5.6722   2.3205   7.1293   3.1729   3.9964   3.4026  645.388  158.227  506.896  175.689 138.4915 236.4363 
1 1 1  -29    1   20 o  1244.35   85.704   24.747   3.3190   19.361   4.6269   30.456   4.7636  1081.06  139.972  1371.69  111.882 -290.6318 179.1920 
1 1 1  -29    1   22 o  695.012  121.083   8.0189   2.5393   12.087   3.7807   4.6752   3.4274  847.156  147.909  534.375  176.379 312.7812 230.1880 
1 1 1  -29    1   24 o  603.073  132.255   6.1428   2.4287   6.8674   3.5693   5.5182   3.3142  629.411  174.850  569.059  171.677 60.35260 245.0418 
1 1 1  -29    1   26 o  1595.06   83.095   40.633   4.1358   40.825   5.8840   40.446   5.8145  1582.35  119.639  1575.39  118.744 6.957886 168.5631 
1 1 1  -29    1   28 o  1114.56   91.929   20.024   3.1797   22.586   4.7980   18.017   4.2459  1166.39  133.790  1040.48  133.394 125.9061 188.9281 
1 1 1  -29    1   30 o  660.435  127.734   7.3746   2.5460   6.8124   3.8004   7.8324   3.4293  620.699  183.046  668.101  164.919 -47.40216 246.3820 
1 1 1  -29    1   32 o  1532.81   96.690   38.060   4.6170   39.127   5.6128   35.827   8.1192  1542.34  117.093  1424.97  186.436 117.3718 220.1576 
1 1 1  -29    1   34 o  800.558  127.739   10.843   3.0944   3.3373   5.1926   14.976   3.8534  516.438  208.319  939.789  134.809 -423.3505 248.1339 
1 1 1  -29    1   36 o  930.844  122.679   14.580   3.4886   15.250   4.3056   13.301   5.9523  935.722  152.181  826.142  224.319 109.5798 271.0681 
1 1 1  -29    1   38 o  287.077  135.017  -2.7227   3.1109  -0.8673   4.5675  -4.3283   4.2489  393.206  176.910  321.377  153.088 71.82852 233.9511 
1 1 1  -29    1   40 o  1479.37  123.658   37.194   5.6757   44.885   8.3282   30.525   7.7556  1570.77  172.145  1260.28  203.460 310.4802 266.5144 
1 1 1  -29    1   42 o  874.109  160.458   14.219   4.2300   12.391   5.7807   16.326   6.2062  751.223  226.751  869.776  225.867 -118.5530 320.0499 
1 1 1  -29    1   44 o  971.517  123.490   16.939   3.6718   10.094   6.5405   20.089   4.4369  622.544  238.986  1041.30  139.590 -418.7581 276.7670 
1 1 1  -29    1   46 o  808.740  144.256   12.946   3.5191   9.5737   7.1106   14.040   4.0499  550.132  234.499  818.599  163.718 -268.4667 285.9951 
1 1 1  -29    1   48 o  1512.07   92.678   40.777   4.3668   42.847   6.2957   38.858   6.0621  1439.89  141.463  1365.51  143.949 74.37939 201.8245 
1 1 1  -29    1   50 o  1879.48   92.684   64.906   5.4545   63.665   7.7111   66.148   7.7166  1678.94  148.199  1725.38  144.153 -46.43323 206.7440 
1 1 1  -29    1   52 o  429.634  157.405   5.4059   2.7683   3.4051   4.0348   7.1856   3.8052  347.671  160.170  442.410  178.375 -94.73837 239.7329 
1 1 1  -29    1   54 o  2266.99  106.251  109.280   7.5423  107.027   10.702  111.504   10.631  1757.97  197.866  1852.19  185.802 -94.22583 271.4283 
1 1 1  -29    1   56 o  1214.08  139.727   40.728   5.2149   40.771   8.6807   40.704   6.5233  505.228  233.522  913.003  228.673 -407.7758 326.8389 
1 1 1  -29    2    1 o  903.604   95.483   13.126   2.6607   9.4036   3.8579   16.503   3.6743  742.701  169.614  1007.79  118.714 -265.0918 207.0307 
1 1 1  -29    2    3 o  763.704  103.998   9.4691   2.4223   8.0985   3.4719   10.769   3.3811  689.840  163.271  805.117  139.150 -115.2770 214.5232 
1 1 1  -29    2    5 o  1122.82   83.189   20.095   2.9040   24.401   4.1078   15.793   4.1058  1230.94  107.658  978.845  137.771 252.0984 174.8464 
1 1 1  -29    2    7 o  512.180  131.334   4.3991   2.1163   4.7789   2.9855   4.0156   3.0003  536.112  163.210  501.172  165.006 34.94043 232.0870 
1 1 1  -29    2    9 o  731.219  107.298   8.7263   2.3837   6.2881   3.2951   11.403   3.4524  607.477  167.715  828.375  137.952 -220.8986 217.1619 
1 1 1  -29    2   11 o  1127.74   86.448   20.320   3.0294   18.578   4.3970   21.894   4.1797  1062.60  135.214  1161.66  116.478 -99.05859 178.4655 
1 1 1  -29    2   13 o  2042.76   83.018   66.244   5.3101   65.548   7.4114   66.978   7.6119  2014.76  117.994  2035.64  119.950 -20.88696 168.2573 
1 1 1  -29    2   15 o  594.013  127.350   5.9113   2.2976   4.1534   3.3059   7.5535   3.1954  512.027  173.300  665.619  156.029 -153.5925 233.1908 
1 1 1  -29    2   17 f  1887.40   81.833   56.558   4.8363   56.491   6.8541   56.624   6.8249  1869.11  117.713  1871.64  117.044 -2.528809 165.9991 
1 1 1  -29    2   19 o  1073.98   90.810   18.502   3.0252   17.704   4.3718   19.235   4.1905  1034.29  138.465  1083.59  125.849 -49.30273 187.1111 
1 1 1  -29    2   21 o  1036.97   92.091   17.279   2.9591   15.091   4.2892   19.266   4.0876  948.828  149.302  1085.20  122.431 -136.3774 193.0820 
1 1 1  -29    2   23 o  445.682  141.531   3.2272   2.2194   4.7537   3.3349   2.0136   2.9736  536.216  173.831  415.046  160.652 121.1701 236.6988 
1 1 1  -29    2   25 f  4042.13  112.462  263.673   14.234  261.748   20.147  265.593   20.114  3963.79  162.321  3995.06  160.790 -31.26489 228.4764 
1 1 1  -29    2   27 o  1524.75   83.549   37.166   3.9738   39.991   5.7673   34.613   5.4830  1565.80  118.508  1454.66  121.487 111.1436 169.7154 
1 1 1  -29    2   29 o  3298.15   99.789  175.146   10.306  168.132   14.603  182.104   14.545  3180.91  146.618  3318.97  139.958 -138.0615 202.6945 
1 1 1  -29    2   31 o  667.130  126.989   7.5289   2.5558   8.9273   3.7481   6.3135   3.4942  710.523  170.617  598.548  175.234 111.9756 244.5750 
1 1 1  -29    2   33 o  2709.33   90.742  118.193   7.6982  117.951   10.909  118.433   10.865  2667.32  130.609  2673.71  129.781 -6.386230 184.1248 
1 1 1  -29    2   35 o  1802.05  123.095   53.968   6.9043   57.629   9.8822   50.477   9.6502  1808.75  176.744  1681.90  186.372 126.8472 256.8519 
1 1 1  -29    2   37 o  962.145  117.087   15.504   3.4548   14.841   4.2570   16.783   5.9128  920.867  153.006  942.494  206.096 -21.62720 256.6831 
1 1 1  -29    2   39 o  401.025  158.861   1.9866   2.9646   3.3580   4.3603   0.8076   4.0429  485.524  192.556  406.823  175.188 78.70074 260.3245 
1 1 1  -29    2   41 o  1644.70  124.506   46.361   6.3645   47.157   9.2779   45.654   8.7470  1569.53  192.841  1558.22  182.741 11.30566 265.6725 
1 1 1  -29    2   43 o  1152.25  107.520   22.773   3.8345   18.084   6.7121   25.044   4.6718  880.864  237.802  1188.36  127.546 -307.4974 269.8475 
1 1 1  -29    2   45 o  1298.54  107.075   29.694   4.3149   35.867   7.5412   26.689   5.2612  1283.06  193.739  1178.02  145.742 105.0438 242.4367 
1 1 1  -29    2   47 o  1779.13  107.428   57.658   5.9566   58.419   10.534   57.300   7.2220  1446.61  241.048  1702.22  136.647 -255.6155 277.0852 
1 1 1  -29    2   49 o  1045.70  104.685   20.568   3.3817   19.975   4.7180   21.194   4.8496  917.237  170.548  946.560  169.865 -29.32324 240.7084 
1 1 1  -29    2   51 o  552.089  150.575   7.5120   2.6750   9.3535   3.5962   5.2310   4.0023  556.486  180.523  401.690  173.638 154.7957 250.4766 
1 1 1  -29    2   53 o  1551.62   96.732   47.731   4.6764   43.033   6.5278   52.684   6.7024  1219.27  176.085  1429.68  152.051 -210.4152 232.6488 
1 1 1  -29    2   55 o  406.372  163.119   6.8390   3.1668   6.6256   5.1541   6.9684   4.0138  334.859  161.828  367.078  165.433 -32.21881 231.4224 
1 1 1  -29    2   57 o  1400.21  135.855   55.807   5.8815   60.359   10.018   53.412   7.2656  508.535  240.115  976.708  239.420 -468.1736 339.0829 
1 1 1  -29    3    2 o  1081.20   88.217   18.668   2.9606   20.015   4.1710   17.300   4.2029  1110.21  121.993  1027.51  133.806 82.70667 181.0698 
1 1 1  -29    3    4 o  338.626  130.567   1.2599   1.9583   4.9893   2.8470  -2.0890   2.6979  545.875  157.706  281.012  129.992 264.8636 204.3752 
1 1 1  -29    3    6 o  440.909  134.934   3.1633   2.0370   0.8663   2.9099   5.3705   2.8525  374.102  154.042  564.360  156.144 -190.2583 219.3397 
1 1 1  -29    3    8 o  938.524   90.620   14.124   2.6300   15.533   3.8240   12.860   3.6228  973.603  128.581  882.246  135.473 91.35724 186.7781 
1 1 1  -29    3   10 o  723.437  112.852   8.5762   2.4729   6.4150   3.6172   10.473   3.3886  613.976  177.872  792.143  141.822 -178.1668 227.4910 
1 1 1  -29    3   12 o  824.405   99.850   10.995   2.5250   12.830   3.7032   9.4009   3.4518  879.319  139.128  745.856  152.932 133.4626 206.7484 
1 1 1  -29    3   14 o  1017.44   92.306   16.608   2.9087   19.447   4.3184   14.251   3.9353  1089.84  129.052  927.123  139.912 162.7125 190.3412 
1 1 1  -29    3   16 o  2103.39   83.520   70.246   5.5008   68.542   7.7542   71.972   7.8047  2058.91  120.807  2111.18  118.543 -52.27515 169.2534 
1 1 1  -29    3   18 o  723.714  115.334   8.6161   2.5259   6.4714   3.5958   10.705   3.5489  614.841  177.123  797.952  147.470 -183.1112 230.4776 
1 1 1  -29    3   20 o  1316.11   84.442   27.639   3.4616   29.824   4.9863   25.607   4.8093  1355.22  118.699  1252.88  124.227 102.3436 171.8190 
1 1 1  -29    3   22 f  2260.99   84.884   81.313   6.0095   89.784   8.5725   73.128   8.4268  2359.80  116.016  2119.93  127.541 239.8623 172.4132 
1 1 1  -29    3   24 o  2106.84   83.557   70.623   5.5123   81.363   7.9379   60.621   7.6607  2243.76  113.349  1927.80  127.630 315.9611 170.6967 
1 1 1  -29    3   26 o  1885.44   83.149   56.611   4.9089   59.442   6.9648   53.817   6.9200  1913.17  116.821  1816.91  122.346 96.25500 169.1619 
1 1 1  -29    3   28 f  1227.32  100.410   24.372   3.8250   29.927   7.0010   22.008   4.5669  1321.56  173.365  1154.01  128.570 167.5417 215.8369 
1 1 1  -29    3   30 f  3693.27  106.165  220.689   12.278  233.682   17.417  207.857   17.309  3742.82  148.617  3517.19  157.167 225.6318 216.3063 
1 1 1  -29    3   32 o  1591.25   83.608   40.648   4.1512   46.639   6.1888   35.748   5.5971  1684.57  118.073  1471.13  122.623 213.4434 170.2281 
1 1 1  -29    3   34 o  2509.14  104.391  102.411   8.2017  106.517   10.127   94.581   13.983  2532.37  128.125  2299.82  196.046 232.5486 234.2010 
1 1 1  -29    3   36 o  940.187  156.782   15.455   4.4530   14.734   6.8926   15.971   5.8341  856.791  244.742  922.013  207.133 -65.22137 320.6283 
1 1 1  -29    3   38 o  1553.72  123.003   40.505   5.9353   41.772   8.3740   39.225   8.4136  1523.70  178.921  1467.26  187.410 56.43994 259.1044 
1 1 1  -29    3   40 o  2134.95  100.409   75.125   6.7124   80.864   11.940   72.473   8.1163  2090.52  184.294  2064.36  126.167 26.15674 223.3436 
1 1 1  -29    3   42 o  2381.01  132.301   99.329   9.8248   94.509   13.855  104.205   13.935  2164.71  206.919  2301.06  195.240 -136.3481 284.4889 
1 1 1  -29    3   44 o  591.585  170.309   7.2016   3.3255   5.0228   5.8339   8.2503   4.0474  503.632  213.461  614.483  190.558 -110.8505 286.1434 
1 1 1  -29    3   46 o  3029.35  125.631  171.416   11.917  168.846   20.655  172.699   14.590  2318.94  290.849  2889.38  161.918 -570.4375 332.8826 
1 1 1  -29    3   48 o  936.011  135.719   17.794   3.8617   9.1563   6.4154   22.702   4.8360  500.875  218.165  1022.89  155.919 -522.0159 268.1543 
1 1 1  -29    3   50 o  2286.77   95.520   96.899   6.8397   91.761   9.5289  102.360   9.8233  1993.54  153.840  2129.78  148.225 -136.2375 213.6296 
1 1 1  -29    3   52 o  2363.38  125.617  122.267   9.2627  107.746   15.858  129.787   11.412  917.885  366.207  2216.01  165.661 -1298.125 401.9341 
1 1 1  -29    3   54 o  562.388  177.706   11.021   3.5023   2.4145   6.0775   15.300   4.2855  310.288  154.756  627.167  196.344 -316.8787 250.0009 
1 1 1  -29    3   56 o  1406.39  130.476   51.635   5.6804   43.848   9.7892   55.589   6.9748  455.014  220.668  1245.86  184.355 -790.8511 287.5435 
1 1 1  -29    4    1 o  1289.61   83.341   26.447   3.3474   23.007   4.6496   30.149   4.8230  1190.12  126.717  1368.53  113.577 -178.4063 170.1676 
1 1 1  -29    4    3 o  533.408  144.275   4.7673   2.4679   4.2422   3.2424   5.4903   3.8049  517.150  171.594  578.473  185.483 -61.32349 252.6824 
1 1 1  -29    4    5 f  1175.35   85.606   22.014   3.1289   24.402   4.5024   19.783   4.3513  1228.32  118.535  1101.66  128.558 126.6605 174.8650 
1 1 1  -29    4    7 o  721.333  126.892   8.6031   2.7614   7.1429   5.0039   9.2426   3.3113  653.943  212.986  742.290  147.661 -88.34705 259.1654 
1 1 1  -29    4    9 o  535.863  132.202   4.8153   2.2045   6.9899   3.1951   2.8395   3.0456  641.365  159.708  452.604  165.210 188.7615 229.7854 
1 1 1  -29    4   11 o  1296.00   82.269   26.728   3.3212   24.919   4.7551   28.452   4.6408  1238.36  124.308  1328.13  112.655 -89.77002 167.7609 
1 1 1  -29    4   13 o  335.971  130.064   1.2198   1.9493   1.7023   3.2269   0.9425   2.4460  416.851  165.546  351.794  142.599 65.05719 218.4948 
1 1 1  -29    4   15 o  1297.49   83.193   26.814   3.3621   30.979   4.8867   23.070   4.6329  1385.19  113.667  1189.65  126.301 195.5432 169.9182 
1 1 1  -29    4   17 o  1416.50   83.242   31.950   3.6759   35.027   5.1841   28.840   5.2131  1473.10  113.256  1330.80  126.629 142.3047 169.8878 
1 1 1  -29    4   19 o  1444.26   84.328   33.239   3.7970   33.913   5.4314   32.595   5.3102  1445.65  121.102  1417.21  120.816 28.44055 171.0620 
1 1 1  -29    4   21 o  923.665   96.069   13.755   2.7379   14.456   3.9176   13.086   3.8279  933.401  138.218  885.582  142.907 47.81903 198.8129 
1 1 1  -29    4   23 o  1281.01   85.503   26.218   3.4099   24.473   4.8507   27.923   4.7945  1222.02  128.703  1310.55  118.104 -88.52771 174.6798 
1 1 1  -29    4   25 o  1580.99   83.514   39.881   4.1197   42.758   6.0307   37.364   5.6411  1621.51  119.620  1515.14  119.882 106.3688 169.3536 
1 1 1  -29    4   27 o  708.018  117.026   8.3124   2.5038   11.808   3.7867   5.5971   3.3375  833.912  150.558  571.428  172.254 262.4839 228.7773 
1 1 1  -29    4   29 o  1577.84   85.535   39.882   4.2101   42.248   6.1889   37.844   5.7440  1604.37  124.162  1519.34  121.760 85.02783 173.9017 
1 1 1  -29    4   31 o  1017.20  140.911   17.442   4.3676   17.442   4.3676   0.0000   0.0000  1017.20  140.911  ?   ?  0.000000 140.9115 
1 1 1  -29    4   33 o  709.214  140.097   8.6346   3.0008   7.4455   3.7537   10.740   4.9949  644.573  179.399  762.220  204.872 -117.6467 272.3173 
1 1 1  -29    4   35 o  1078.08  113.590   19.235   3.7768   17.900   4.7724   21.473   6.1781  1017.02  154.740  1093.05  187.245 -76.02411 242.9102 
1 1 1  -29    4   37 o  1299.37  128.298   28.414   5.1519   26.246   7.7787   30.108   6.8762  1174.98  219.498  1302.78  172.827 -127.8030 279.3716 
1 1 1  -29    4   39 o  1425.58   88.018   33.097   3.9098   30.380   5.7409   35.447   5.3394  1327.15  140.274  1453.33  118.358 -126.1826 183.5362 
1 1 1  -29    4   41 o  588.789  152.355   6.3858   2.8304   9.5278   5.1064   4.9924   3.4005  678.271  214.604  519.354  175.762 158.9168 277.3939 
1 1 1  -29    4   43 f  1016.45  163.517   19.782   5.0279   20.839   7.1226   18.731   7.0984  941.957  240.617  877.268  247.600 64.68958 345.2567 
1 1 1  -29    4   45 o  2530.19  111.849  113.650   8.8614  110.943   15.345  115.004   10.854  2111.83  236.101  2457.51  141.652 -345.6829 275.3347 
1 1 1  -29    4   47 o  2195.97  110.470   88.562   7.5718   80.278   12.934   92.880   9.3394  1631.33  262.086  2159.25  138.870 -527.9211 296.6044 
1 1 1  -29    4   49 o  2036.09  108.970   78.750   6.9222   57.697   11.582   90.449   8.6340  1103.40  317.886  2098.23  132.088 -994.8341 344.2361 
1 1 1  -29    4   51 o  2312.96  121.328  111.441   8.7565   99.236   14.962  117.799   10.799  1127.54  368.342  2198.22  157.944 -1070.678 400.7772 
1 1 1  -29    4   53 o  1876.64  120.829   77.599   7.0624   80.640   12.069   76.015   8.7094  1019.98  330.688  1632.70  172.993 -612.7208 373.2033 
1 1 1  -29    4   55 o  1554.70  127.649   59.259   6.1593   57.452   10.171   60.305   7.7398  658.686  280.609  1295.86  196.945 -637.1713 342.8245 
1 1 1  -29    4   57 o  1065.21  118.791   28.739   3.8947   28.030   5.2360   29.618   5.8272  734.536  214.352  644.575  229.393 89.96155 313.9552 
1 1 1  -29    5    2 o  358.289  131.200   1.6934   1.9229   5.5125   2.7099  -2.1802   2.7291  572.567  149.525  281.505  130.403 291.0617 198.4003 
1 1 1  -29    5    4 o  504.234  143.821   4.2239   2.3820   3.4724   3.0559   5.3875   3.8024  480.178  166.494  574.718  185.544 -94.54044 249.2925 
1 1 1  -29    5    6 o  869.033   96.426   12.148   2.5797   7.3879   3.6956   16.671   3.6026  658.429  175.905  1014.54  115.461 -356.1129 210.4133 
1 1 1  -29    5    8 o  844.325   97.963   11.488   2.5418   10.189   3.7627   12.578   3.4473  777.016  159.981  875.194  129.721 -98.17761 205.9648 
1 1 1  -29    5   10 o  1110.29   87.536   19.674   3.0186   21.203   4.3417   18.244   4.1997  1142.59  123.309  1056.91  129.618 85.67407 178.9014 
1 1 1  -29    5   12 o  527.227  128.126   4.6522   2.0945   3.8024   3.1458   5.3288   2.8071  495.612  169.043  562.395  154.607 -66.78357 229.0831 
1 1 1  -29    5   14 o  580.472  125.373   5.6233   2.2121   7.8000   3.2172   3.6713   3.0467  678.502  154.844  487.340  166.359 191.1622 227.2708 
1 1 1  -29    5   16 o  1509.66   82.716   36.243   3.8952   36.444   5.6247   36.059   5.3995  1500.86  120.706  1494.59  116.291 6.272217 167.6108 
1 1 1  -29    5   18 o  1037.87   89.720   17.249   2.8871   16.898   4.3149   17.532   3.8848  1011.45  139.994  1036.90  121.983 -25.44287 185.6828 
1 1 1  -29    5   20 o  2396.65   85.364   91.242   6.4061   94.640   9.1298   87.947   8.9910  2423.72  120.299  2331.68  123.588 92.04004 172.4697 
1 1 1  -29    5   22 o  1249.47   86.147   24.935   3.3498   22.769   4.7854   27.016   4.6907  1178.04  131.999  1290.22  117.391 -112.1731 176.6474 
1 1 1  -29    5   24 o  1450.88   82.686   33.563   3.7409   31.017   5.3994   35.913   5.1879  1377.96  126.552  1489.99  112.016 -112.0234 169.0061 
1 1 1  -29    5   26 o  3998.15  109.919  257.533   13.761  281.884   19.581  233.773   19.343  4130.97  151.383  3743.63  165.009 387.3433 223.9302 
1 1 1  -29    5   28 o  1446.31   85.389   33.485   3.8499   34.843   5.5819   32.252   5.3170  1458.40  123.390  1403.38  122.217 55.02246 173.6719 
1 1 1  -29    5   30 o  2623.73  130.836  113.066   10.749  113.066   10.749   0.0000   0.0000  2623.73  130.836  ?   ?  0.000000 130.8362 
1 1 1  -29    5   32 o  1410.81  101.063   32.307   4.4350   26.774   5.5225   42.355   7.4429  1261.89  142.245  1582.75  152.051 -320.8593 208.2140 
1 1 1  -29    5   34 o  1432.06  103.328   33.433   4.6023   29.116   5.7358   41.236   7.7113  1313.27  141.730  1549.21  161.331 -235.9473 214.7443 
1 1 1  -29    5   36 o  2368.10  102.463   91.266   7.5977   90.205   13.450   91.763   9.2075  2242.81  193.411  2349.48  125.611 -106.6729 230.6211 
1 1 1  -29    5   38 o  742.178  122.389   9.3732   2.7451   12.788   4.2038   6.8348   3.6246  845.015  164.795  610.183  178.425 234.8322 242.8843 
1 1 1  -29    5   40 o  1517.45   88.893   37.666   4.2053   38.487   6.1101   36.927   5.7968  1496.61  131.725  1470.19  127.172 26.41736 183.0965 
1 1 1  -29    5   42 o  294.932  133.393  -0.7385   2.6367   0.0000   4.5988  -1.1001   3.2182  394.956  177.624  316.934  144.908 78.02274 229.2347 
1 1 1  -29    5   44 o  414.135  174.022   2.4800   3.8239   1.0040   5.1602   4.2777   5.6949  412.053  186.465  483.613  208.090 -71.56021 279.4114 
1 1 1  -29    5   46 o  1572.94  107.825   44.440   5.2786   41.119   8.9733   46.197   6.5275  1246.90  238.521  1546.88  136.150 -299.9846 274.6434 
1 1 1  -29    5   48 o  2662.91  162.828  157.602   13.512   0.0000   0.0000  157.602   13.512  ?   ?   2662.91  162.828 0.000000 162.8276 
1 1 1  -29    5   50 o  1834.35  150.806   76.455   8.5853   0.0000   0.0000   76.455   8.5853  ?   ?   1834.35  150.806 0.000000 150.8057 
1 1 1  -29    5   52 o  2462.65  130.957  135.304   10.062  139.646   17.216  133.050   12.400  1215.90  395.011  2138.83  187.039 -922.9249 437.0556 
1 1 1  -29    5   54 o  810.804  134.694   15.931   3.2997   20.942   4.3942   9.4525   4.9964  839.100  172.994  406.312  183.709 432.7878 252.3409 
1 1 1  -29    5   56 f  283.387  130.419   2.3339   2.6658   0.3943   3.4944   5.0339   4.1229  256.744  126.071  315.313  150.366 -58.56961 196.2240 
1 1 1  -29    6    1 o  787.258  104.427   10.032   2.5107   8.9213   3.8497   10.853   3.3120  724.511  172.225  811.147  135.153 -86.63611 218.9240 
1 1 1  -29    6    3 o  963.525   96.523   14.888   2.8730   12.101   4.2686   17.196   3.8845  847.665  166.762  1029.09  122.987 -181.4225 207.2086 
1 1 1  -29    6    5 o  425.236  149.349   2.6311   2.4627   2.3781   3.3781   2.9182   3.5979  448.395  171.844  475.586  178.470 -27.19138 247.7536 
1 1 1  -29    6    7 o  893.022   93.809   12.796   2.5839   11.294   3.6960   14.232   3.6139  823.312  148.847  933.490  126.927 -110.1780 195.6168 
1 1 1  -29    6    9 o  832.226  101.951   11.184   2.6012   14.525   3.7799   8.1793   3.5850  941.495  131.833  693.833  167.024 247.6628 212.7838 
1 1 1  -29    6   11 o  1032.05   89.994   17.026   2.8791   19.807   4.2048   14.571   3.9505  1104.29  123.730  940.685  138.242 163.6061 185.5262 
1 1 1  -29    6   13 o  1893.61   81.522   56.783   4.8337   56.409   6.9463   57.134   6.7306  1871.86  119.132  1885.86  114.522 -13.99780 165.2502 
1 1 1  -29    6   15 o  634.218  118.399   6.6475   2.2648   6.8327   3.3124   6.4850   3.1036  633.847  165.213  618.351  159.308 15.49634 229.5089 
1 1 1  -29    6   17 o  1755.56   81.141   48.832   4.4604   50.150   6.4148   47.598   6.2063  1764.36  116.773  1719.03  115.979 45.32825 164.5815 
1 1 1  -29    6   19 o  2023.62   82.271   64.935   5.2131   64.795   7.4263   65.071   7.3197  2004.48  118.848  2009.72  116.820 -5.247681 166.6488 
1 1 1  -29    6   21 o  745.719  107.076   9.0721   2.4285   10.750   3.6796   7.7772   3.2326  798.567  152.719  676.134  155.878 122.4324 218.2225 
1 1 1  -29    6   23 o  685.012  110.878   7.7123   2.2970   10.392   3.5137   5.7125   3.0354  785.383  148.314  579.268  161.359 206.1157 219.1655 
1 1 1  -29    6   25 o  824.749  107.310   11.094   2.7056   11.561   4.0020   10.701   3.6720  823.317  161.004  794.266  153.197 29.05103 222.2418 
1 1 1  -29    6   27 o  1278.06  100.237   26.353   3.9792   27.233   4.9484   24.742   6.6942  1289.42  124.093  1197.65  184.423 91.76709 222.2855 
1 1 1  -29    6   29 f  645.290  182.091   7.3183   3.8395   7.3183   3.8395   0.0000   0.0000  645.290  182.091  ?   ?  0.000000 182.0912 
1 1 1  -29    6   31 o  1640.57   99.506   43.500   5.0875   44.111   6.3366   42.390   8.5338  1637.81  124.491  1568.26  176.872 69.55139 216.2910 
1 1 1  -29    6   33 f  2267.24  103.025   83.195   7.3141   79.633   9.0854   89.756   12.329  2191.09  133.053  2282.45  173.819 -91.35742 218.8978 
1 1 1  -29    6   35 o  687.323  123.085   7.9836   2.5517   10.085   3.7944   6.2484   3.4478  755.433  165.027  592.881  174.207 162.5524 239.9624 
1 1 1  -29    6   37 o  2983.16   95.381  144.346   8.9095  145.191   12.744  143.538   12.461  2935.66  138.635  2922.54  136.167 13.11450 194.3227 
1 1 1  -29    6   39 o  1235.84   93.320   25.026   3.5846   33.193   5.4636   18.853   4.7498  1399.69  126.011  1035.33  150.954 364.3604 196.6362 
1 1 1  -29    6   41 o  1416.85  104.733   33.695   4.6136   34.374   8.3549   33.397   5.5338  1308.99  211.012  1387.15  128.877 -78.15857 247.2558 
1 1 1  -29    6   43 o  2135.05  103.273   77.667   6.9042   90.806   12.247   71.546   8.3592  2121.15  186.276  1990.41  134.920 130.7346 230.0043 
1 1 1  -29    6   45 o  580.140  232.664   9.6677   6.4365   0.0000   0.0000   9.6677   6.4365  ?   ?   580.140  232.664 0.000000 232.6637 
1 1 1  -29    6   47 o  1660.40  141.503   55.402   7.2867   0.0000   0.0000   55.402   7.2867  ?   ?   1660.40  141.503 0.000000 141.5025 
1 1 1  -29    6   49 o  320.654  150.628   0.0312   3.8523   0.0000   0.0000   0.0312   3.8523  ?   ?   320.654  150.628 0.000000 150.6282 
1 1 1  -29    6   51 o  229.973  113.519  -3.5381   2.9593  -1.6318   4.5840  -4.9002   3.8748  298.492  146.121  248.681  123.955 49.81082 191.6148 
1 1 1  -29    6   53 o  1310.96  102.040   34.584   4.1557   32.515   5.6437   37.034   6.1419  1078.12  173.029  1133.86  178.926 -55.74133 248.9048 
1 1 1  -29    6   55 o  1154.67  109.535   29.418   3.9129   28.737   5.2475   30.271   5.8723  918.897  188.695  840.064  220.467 78.83240 290.1923 
1 1 1  -29    7    2 o  413.039  141.292   2.5520   2.1977   1.2248   3.3992   3.5052   2.8809  411.189  167.570  477.960  161.775 -66.77066 232.9183 
1 1 1  -29    7    4 o  1118.73   89.994   19.957   3.1258   20.590   4.6180   19.422   4.2465  1124.43  133.786  1093.97  126.288 30.46216 183.9761 
1 1 1  -29    7    6 o  219.317  104.886  -2.7444   2.0360   0.5049   2.7594  -6.6278   3.0166  355.349  148.474  230.942  114.111 124.4068 187.2587 
1 1 1  -29    7    8 f  431.502  140.960   2.9136   2.1912   4.8987   3.4904   1.6224   2.8150  550.720  177.765  397.283  155.604 153.4370 236.2475 
1 1 1  -29    7   10 o  832.470  103.905   11.196   2.6495   7.3710   3.9994   14.188   3.5369  658.642  185.837  933.089  124.137 -274.4467 223.4847 
1 1 1  -29    7   12 o  1541.32   83.081   37.714   3.9949   36.261   5.8152   39.012   5.4974  1498.23  125.102  1558.56  113.424 -60.33472 168.8650 
1 1 1  -29    7   14 o  1250.68   84.429   24.888   3.2870   26.870   4.8515   23.206   4.4691  1289.02  121.637  1197.39  120.851 91.62903 171.4659 
1 1 1  -29    7   16 o  555.002  125.939   5.1414   2.1384   6.9795   3.2515   3.7403   2.8388  641.291  161.901  486.455  160.518 154.8356 227.9867 
1 1 1  -29    7   18 o  439.316  134.339   3.1383   2.0196  -2.3851   3.2756   6.5257   2.5651  311.528  143.800  624.238  135.151 -312.7104 197.3430 
1 1 1  -29    7   20 o  538.304  128.700   4.8568   2.1399   6.4744   3.2996   3.6825   2.8114  616.617  166.841  482.286  159.770 134.3316 231.0032 
1 1 1  -29    7   22 o  2667.24   89.430  113.146   7.4690  111.263   10.646  114.972   10.481  2622.50  129.646  2668.61  125.432 -46.11084 180.3920 
1 1 1  -29    7   24 o  2211.05   84.806   77.710   5.8714   77.575   8.3573   77.842   8.2505  2188.23  122.463  2193.09  120.609 -4.869629 171.8829 
1 1 1  -29    7   26 o  2115.48   97.315   71.592   6.4462   74.360   8.0596   66.676   10.739  2140.70  120.731  1989.44  174.151 151.2620 211.9067 
1 1 1  -29    7   28 o  1282.85  131.932   27.126   5.2241   27.126   5.2241   0.0000   0.0000  1282.85  131.932  ?   ?  0.000000 131.9322 
1 1 1  -29    7   30 o  3404.43  118.259  188.331   12.607  193.405   15.536  178.549   21.571  3418.55  145.135  3173.51  218.410 245.0405 262.2345 
1 1 1  -29    7   32 o  1665.86   84.574   44.468   4.3971   49.140   6.3576   40.184   6.0879  1733.06  117.856  1561.93  125.538 171.1323 172.1916 
1 1 1  -29    7   34 o  1230.18   89.815   24.425   3.4358   20.947   5.1076   27.299   4.6433  1108.96  151.018  1288.22  116.369 -179.2537 190.6522 
1 1 1  -29    7   36 o  936.165  104.075   14.412   2.9992   17.845   4.5284   11.730   4.0030  1021.17  145.757  816.243  162.336 204.9238 218.1698 
1 1 1  -29    7   38 f  2128.20  102.140   74.109   6.8065   67.738   12.207   76.984   8.1994  1904.25  208.114  2146.07  122.525 -241.8286 241.5032 
1 1 1  -29    7   40 o  1097.16  116.976   20.435   3.9567   14.246   6.7622   23.658   4.8791  807.375  245.596  1165.75  136.235 -358.3768 280.8508 
1 1 1  -29    7   42 o  1446.17  104.238   35.493   4.6886   42.639   8.1810   31.998   5.7214  1479.61  180.310  1333.83  139.031 145.7811 227.6866 
1 1 1  -29    7   44 o  649.704  189.488   9.3268   4.0927   0.0000   0.0000   9.3268   4.0927  ?   ?   649.704  189.488 0.000000 189.4880 
1 1 1  -29    7   46 o  1694.96  136.157   55.525   7.1653   0.0000   0.0000   55.525   7.1653  ?   ?   1694.96  136.157 0.000000 136.1568 
1 1 1  -29    7   48 o  2452.78  158.394  131.186   12.100   0.0000   0.0000  131.186   12.100  ?   ?   2452.78  158.394 0.000000 158.3942 
1 1 1  -29    7   50 o  1808.42  112.284   63.855   6.3268   57.511   10.819   67.153   7.7995  1140.04  299.271  1749.13  143.675 -609.0861 331.9725 
1 1 1  -29    7   52 o  2557.71  105.059  129.641   8.4140  122.835   11.740  136.831   12.066  2104.46  179.882  2266.10  171.305 -161.6433 248.4008 
1 1 1  -29    7   54 o  898.260  123.423   18.346   3.3797   18.470   4.4539   18.178   5.1893  742.492  190.602  618.863  216.827 123.6293 288.6916 
1 1 1  -29    7   56 o  1446.11  107.771   47.168   4.8450   43.408   6.5552   51.695   7.1928  1033.45  209.738  1120.07  212.868 -86.61499 298.8359 
1 1 1  -29    8    1 o  603.091  126.651   6.0353   2.3156   8.3035   3.3178   3.8811   3.2333  703.170  154.871  503.270  171.381 199.8998 230.9907 
1 1 1  -29    8    3 o  270.743  118.320  -0.3596   1.9011  -1.9162   2.8165   0.9430   2.5765  293.560  134.714  360.565  146.285 -67.00513 198.8651 
1 1 1  -29    8    5 o  749.852  108.100   9.1263   2.4648   10.459   3.8385   8.1914   3.2153  789.530  160.729  699.179  151.262 90.35132 220.7123 
1 1 1  -29    8    7 o  1076.96  105.291   18.621   3.5052   18.500   4.6228   18.784   5.3764  1062.72  142.512  1062.57  167.110 0.1513672 219.6254 
1 1 1  -29    8    9 o  664.039  120.145   7.2556   2.4062   7.4712   3.6842   7.0952   3.1774  663.847  174.823  648.788  157.900 15.05890 235.5748 
1 1 1  -29    8   11 o  652.463  120.254   7.0136   2.3663   8.9870   3.6403   5.5696   3.1139  729.558  163.411  576.894  164.403 152.6638 231.8008 
1 1 1  -29    8   13 o  590.257  128.681   5.8016   2.3112   3.9855   3.4921   7.2172   3.0832  513.091  177.975  654.594  153.143 -141.5040 234.7932 
1 1 1  -29    8   15 o  600.948  127.324   6.0089   2.3214   3.7885   3.5532   7.6624   3.0662  506.482  179.245  675.231  149.015 -168.7487 233.0971 
1 1 1  -29    8   17 o  856.246  100.438   11.823   2.6417   10.845   3.8219   12.718   3.6555  803.215  157.589  877.987  137.478 -74.77258 209.1281 
1 1 1  -29    8   19 o  1387.17   84.033   30.608   3.6328   30.148   5.2317   31.036   5.0483  1364.24  123.819  1386.66  117.370 -22.41687 170.6080 
1 1 1  -29    8   21 o  920.907   99.640   13.671   2.8274   17.218   4.2592   10.877   3.7806  1023.08  136.349  803.328  155.919 219.7477 207.1272 
1 1 1  -29    8   23 o  1917.64   95.553   58.623   5.7376   61.553   7.1250   53.217   9.6769  1953.07  117.047  1782.57  175.653 170.4990 211.0778 
1 1 1  -29    8   25 o  905.958  113.421   13.391   3.1470   16.910   4.1354   8.5489   4.8508  1012.31  133.737  698.781  206.993 313.5299 246.4383 
1 1 1  -29    8   27 o  480.881  176.353   3.3118   3.4761   3.3118   3.4761   0.0000   0.0000  480.881  176.353  ?   ?  0.000000 176.3526 
1 1 1  -29    8   29 o  2016.15   97.770   65.164   6.1723   72.196   7.7516   52.981   10.203  2108.07  117.906  1755.72  188.542 352.3474 222.3728 
1 1 1  -29    8   31 o  839.741  114.328   11.616   2.9280   11.286   4.4783   11.862   3.8698  799.785  182.812  833.073  154.022 -33.28882 239.0458 
1 1 1  -29    8   33 o  2465.32   88.850   97.371   6.8588   97.870   9.7673   96.885   9.6336  2438.80  128.355  2427.54  127.180 11.25220 180.6929 
1 1 1  -29    8   35 o  723.220  122.821   8.7998   2.6819   8.3591   4.1657   9.1118   3.5048  679.519  188.938  720.947  159.483 -41.42792 247.2502 
1 1 1  -29    8   37 o  2075.04   85.987   69.377   5.5870   73.082   8.0622   65.954   7.7494  2095.56  123.412  1988.87  125.073 106.6910 175.7089 
1 1 1  -29    8   39 o  2199.68  126.700   81.990   8.6898   0.0000   0.0000   81.990   8.6898  ?   ?   2199.68  126.700 0.000000 126.6996 
1 1 1  -29    8   41 o  426.768  173.198   2.4732   3.6129   0.0000   0.0000   2.4732   3.6129  ?   ?   426.768  173.198 0.000000 173.1980 
1 1 1  -29    8   43 f  1894.59  130.233   64.629   7.6790   0.0000   0.0000   64.629   7.6790  ?   ?   1894.59  130.233 0.000000 130.2326 
1 1 1  -29    8   45 o  817.226  177.848   14.341   4.4217   0.0000   0.0000   14.341   4.4217  ?   ?   817.226  177.848 0.000000 177.8478 
1 1 1  -29    8   47 o  655.389  181.185   10.204   3.8426   5.7564   6.9089   12.196   4.6237  464.139  212.254  684.868  201.882 -220.7292 292.9300 
1 1 1  -29    8   49 o  356.677  157.920   2.1270   3.4900  -4.4534   6.4156   4.8927   4.1592  327.410  162.587  426.953  180.559 -99.54330 242.9734 
1 1 1  -29    8   51 o  656.417  180.821   11.950   3.8352   9.3261   6.2523   13.532   4.8560  448.135  203.761  618.702  210.032 -170.5667 292.6294 
1 1 1  -29    8   53 f  1017.50  121.199   22.476   3.7855   19.034   5.3036   26.051   5.4048  685.695  218.895  919.658  193.800 -233.9636 292.3585 
1 1 1  -29    8   55 f  369.176  159.448   5.5685   3.3691   5.1819   5.1315   5.8615   4.4667  329.423  159.762  346.798  162.681 -17.37549 228.0107 
1 1 1  -29    9    2 o  768.620  100.965   9.5354   2.3712   10.899   3.5253   8.4089   3.2043  811.479  144.016  709.419  148.991 102.0592 207.2166 
1 1 1  -29    9    4 o  889.632   94.981   12.684   2.6049   14.389   3.9173   11.332   3.4879  937.240  137.575  829.211  139.270 108.0285 195.7621 
1 1 1  -29    9    6 o  1035.85   90.052   17.113   2.8918   19.706   4.2326   14.843   3.9602  1103.41  124.694  952.393  136.716 151.0159 185.0397 
1 1 1  -29    9    8 f  1002.36   89.830   16.033   2.7895   14.039   4.2051   17.599   3.7278  921.371  150.988  1044.29  115.961 -122.9227 190.3797 
1 1 1  -29    9   10 o  729.232  109.763   8.6478   2.4287   14.403   3.7698   4.5641   3.1754  939.035  131.842  531.953  169.329 407.0821 214.6038 
1 1 1  -29    9   12 o  2140.68   84.710   72.504   5.6781   72.830   8.2213   72.207   7.8515  2129.50  123.831  2122.55  118.609 6.949219 171.4708 
1 1 1  -29    9   14 o  661.436  128.281   7.2447   2.5610   6.2480   4.1382   7.8633   3.2603  614.551  193.029  683.354  155.825 -68.80255 248.0762 
1 1 1  -29    9   16 o  1321.23   84.261   27.745   3.4678   29.314   5.2703   26.547   4.6051  1345.92  126.539  1283.74  115.811 62.18469 171.5349 
1 1 1  -29    9   18 o  590.881  130.952   5.8301   2.3592   8.6961   3.7227   3.9067   3.0498  715.041  168.952  498.814  166.462 216.2268 237.1800 
1 1 1  -29    9   20 o  676.868  126.464   7.5936   2.5818   7.4457   3.9352   7.7054   3.4209  659.862  183.695  673.057  163.857 -13.19476 246.1568 
1 1 1  -29    9   22 o  1172.84  106.859   22.164   3.8813   23.319   4.9779   20.372   6.1986  1193.25  135.639  1092.70  187.941 100.5439 231.7755 
1 1 1  -29    9   24 o  1721.23   98.210   47.421   5.2712   46.393   6.6040   49.226   8.7500  1690.73  125.641  1720.79  164.391 -30.06262 206.9062 
1 1 1  -29    9   26 o  1164.66  140.026   22.400   5.0042   22.400   5.0042   0.0000   0.0000  1164.66  140.026  ?   ?  0.000000 140.0257 
1 1 1  -29    9   28 o  1152.12   91.566   21.309   3.2761   21.267   4.8724   21.343   4.4259  1132.60  140.396  1140.71  126.015 -8.105713 188.6553 
1 1 1  -29    9   30 o  1788.97   84.832   51.004   4.7521   50.009   6.8798   51.911   6.5716  1748.74  126.496  1786.66  118.133 -37.91968 173.0802 
1 1 1  -29    9   32 f  2591.51   89.341  107.416   7.2497  117.090   10.353   98.106   10.156  2680.16  123.360  2442.13  133.311 238.0242 181.6295 
1 1 1  -29    9   34 o  2084.68   97.739   70.024   6.3801   61.800   11.221   73.953   7.7556  1875.53  193.871  2126.63  116.917 -251.1036 226.3969 
1 1 1  -29    9   36 o  2573.27  104.926  107.791   8.4545  113.161   14.756  105.166   10.316  2528.04  187.743  2511.59  131.627 16.44653 229.2885 
1 1 1  -29    9   38 o  1200.83  134.768   24.651   4.9799   0.0000   0.0000   24.651   4.9799  ?   ?   1200.83  134.768 0.000000 134.7681 
1 1 1  -29    9   40 o  2307.96  131.732   92.205   9.4805   0.0000   0.0000   92.205   9.4805  ?   ?   2307.96  131.732 0.000000 131.7319 
1 1 1  -29    9   42 f  1687.57  129.901   50.614   6.8115   0.0000   0.0000   50.614   6.8115  ?   ?   1687.57  129.901 0.000000 129.9011 
1 1 1  -29    9   44 f  899.906  141.511   15.347   3.8559   13.942   7.1208   15.930   4.5865  688.994  252.446  881.612  172.323 -192.6184 305.6539 
1 1 1  -29    9   46 o  413.949  166.395   3.3419   3.3004   4.4410   5.6317   2.7670   4.0731  456.139  201.348  406.711  175.488 49.42780 267.0899 
1 1 1  -29    9   48 o  1506.59  117.128   43.095   5.4821   39.455   9.7613   44.772   6.6257  1006.91  292.341  1467.37  146.147 -460.4615 326.8372 
1 1 1  -29    9   50 o  1122.26  135.885   26.580   4.6778   29.759   8.4261   25.163   5.6240  785.519  276.233  983.620  189.474 -198.1007 334.9704 
1 1 1  -29    9   52 o  1567.73  103.223   48.050   5.0388   47.168   7.0385   48.976   7.2168  1346.00  170.848  1366.19  172.549 -20.18933 242.8209 
1 1 1  -29    9   54 o  2035.01  100.404   83.804   6.3978   75.145   8.8981   93.072   9.2055  1556.10  186.323  1846.79  160.794 -290.6875 246.1113 
1 1 1  -29   10    1 o  1095.56  123.935   19.413   4.1768   0.0000   0.0000   19.413   4.1768  ?   ?   1095.56  123.935 0.000000 123.9351 
1 1 1  -29   10    3 o  1023.84  102.523   16.804   3.2426   12.391   5.5590   19.080   3.9922  848.603  210.279  1087.39  119.201 -238.7905 241.7153 
1 1 1  -29   10    5 o  352.169  133.316   1.4564   2.0175   2.7064   3.1213   0.5595   2.6440  452.628  166.941  351.299  145.936 101.3293 221.7351 
1 1 1  -29   10    7 o  583.395  130.936   5.6593   2.3332   2.2721   3.4629   8.4752   3.1574  449.476  173.538  713.264  146.279 -263.7874 226.9649 
1 1 1  -29   10    9 o  352.698  132.294   1.5127   1.9765  -1.7785   3.2419   3.4597   2.4935  323.625  146.984  467.428  150.184 -143.8023 210.1419 
1 1 1  -29   10   11 o  563.705  134.507   5.2990   2.3411   8.5630   3.4868   2.6199   3.1590  713.599  160.000  450.345  167.577 263.2542 231.6936 
1 1 1  -29   10   13 o  368.869  137.368   1.7070   2.1235   0.9348   3.3841   2.2086   2.7273  401.846  165.867  417.129  155.610 -15.28278 227.4338 
1 1 1  -29   10   15 o  1697.06   83.257   45.558   4.4242   44.768   6.3490   46.304   6.1685  1668.19  122.400  1698.76  116.674 -30.56238 169.0990 
1 1 1  -29   10   17 o  705.601  121.306   8.1836   2.5835   11.183   4.2128   6.3757   3.2708  812.954  170.918  614.509  166.046 198.4451 238.2946 
1 1 1  -29   10   19 o  298.480  131.387  -0.5585   2.3818  -4.1772   3.5792   2.3174   3.1908  298.308  141.641  438.651  167.273 -140.3427 219.1856 
1 1 1  -29   10   21 o  2272.64   99.913   82.268   7.1100   87.115   8.8666   73.537   11.900  2325.88  122.173  2100.49  182.751 225.3904 219.8274 
1 1 1  -29   10   23 o  1796.62   96.449   51.545   5.4061   54.875   6.7458   45.568   9.0382  1845.35  117.355  1650.69  177.662 194.6581 212.9224 
1 1 1  -29   10   25 o  2065.85   85.544   67.782   5.5335   69.848   7.9398   65.832   7.7162  2078.28  122.550  2017.37  122.736 60.91028 173.4437 
1 1 1  -29   10   27 o  893.507  105.546   12.957   2.8959   14.191   4.4138   12.024   3.8373  916.461  159.607  845.380  150.480 71.08136 219.3602 
1 1 1  -29   10   29 o  2494.88  102.531   99.778   8.0098  100.371   14.093   99.494   9.7352  2432.30  186.455  2473.75  126.100 -41.45215 225.0926 
1 1 1  -29   10   31 o  708.586  150.701   8.5779   3.2408   13.404   6.4113   6.9217   3.7560  853.854  233.210  630.555  180.844 223.2990 295.1129 
1 1 1  -29   10   33 o  2382.73  101.881   91.477   7.6012  105.287   13.685   85.314   9.1410  2481.40  177.295  2278.91  128.626 202.4900 219.0391 
1 1 1  -29   10   35 o  1038.25  137.018   18.172   4.3457   0.0000   0.0000   18.172   4.3457  ?   ?   1038.25  137.018 0.000000 137.0179 
1 1 1  -29   10   37 o  552.585  197.984   5.2736   4.3477   0.0000   0.0000   5.2736   4.3477  ?   ?   552.585  197.984 0.000000 197.9836 
1 1 1  -29   10   39 o  1823.83  127.260   56.843   7.2221   0.0000   0.0000   56.843   7.2221  ?   ?   1823.83  127.260 0.000000 127.2598 
1 1 1  -29   10   41 o  299.612  142.977  -3.5042   3.7411   0.0000   0.0000  -3.5042   3.7411  ?   ?   299.612  142.977 0.000000 142.9770 
1 1 1  -29   10   43 o  377.041  158.585   1.6568   3.1805   2.4962   5.2891   1.1813   3.9805  446.637  196.216  388.465  170.450 58.17252 259.9113 
1 1 1  -29   10   45 o  370.305  159.516   1.6064   3.3542   3.9477   6.2763   0.6704   3.9684  465.031  208.445  365.312  164.579 99.71832 265.5857 
1 1 1  -29   10   47 o  775.963  205.211   15.316   5.0625   11.744   7.2934   18.638   7.0327  565.409  239.105  742.528  252.755 -177.1186 347.9315 
1 1 1  -29   10   49 o  317.544  146.434   0.3054   3.3843   1.4547   6.3807  -0.1445   3.9922  383.513  184.008  325.249  152.964 58.26422 239.2837 
1 1 1  -29   10   51 o  1931.50  100.138   70.426   6.0356   66.475   8.5221   74.403   8.5491  1645.40  167.756  1791.25  153.916 -145.8521 227.6673 
1 1 1  -29   10   53 o  1842.96  101.375   67.101   5.8276   72.417   8.2283   61.751   8.2547  1687.61  157.533  1465.09  183.996 222.5236 242.2214 
1 1 1  -29   11    2 o  562.242  167.908   5.2078   3.1822   0.0000   0.0000   5.2078   3.1822  ?   ?   562.242  167.908 0.000000 167.9076 
1 1 1  -29   11    4 o  1483.88   95.663   35.021   4.4212   38.616   8.0431   33.464   5.2924  1533.60  170.371  1444.47  118.044 89.13098 207.2693 
1 1 1  -29   11    6 o  1049.29  102.022   17.628   3.3097   20.336   5.9663   16.425   3.9778  1104.78  178.560  1005.68  129.314 99.10333 220.4675 
1 1 1  -29   11    8 o  1141.99  102.321   20.857   3.6200   24.821   6.7776   19.274   4.2820  1220.98  182.906  1090.97  127.767 130.0092 223.1122 
1 1 1  -29   11   10 o  1370.31   97.390   29.914   4.1516   26.355   7.3665   31.571   5.0257  1253.95  193.868  1403.14  115.411 -149.1897 225.6200 
1 1 1  -29   11   12 o  1312.81   97.878   27.482   3.9946   30.584   7.0763   26.031   4.8394  1361.93  169.607  1270.75  123.170 91.18665 209.6123 
1 1 1  -29   11   14 o  1030.05  104.666   17.033   3.3289   26.083   6.1005   13.195   3.9725  1259.92  158.118  893.866  147.044 366.0565 215.9240 
1 1 1  -29   11   16 o  703.063  160.181   8.3282   3.4476   11.749   5.8576   6.5149   4.2646  822.583  222.182  626.957  195.797 195.6267 296.1446 
1 1 1  -29   11   18 o  728.500  162.567   8.9593   3.6142   13.109   5.3513   5.4790   4.9009  872.812  200.081  598.564  210.653 274.2477 290.5291 
1 1 1  -29   11   20 o  622.122  172.707   6.5483   3.4836   4.7542   5.2855   7.9263   4.6321  583.282  216.818  682.095  202.325 -98.81323 296.5555 
1 1 1  -29   11   22 o  902.621  115.758   13.244   3.1963   10.862   5.9750   14.199   3.7831  787.427  228.749  929.603  133.825 -142.1759 265.0197 
1 1 1  -29   11   24 o  1036.97  110.732   17.390   3.5399   19.118   6.5760   16.685   4.2004  1049.94  207.380  1007.18  136.722 42.75543 248.3932 
1 1 1  -29   11   26 o  851.841  129.143   11.962   3.3366   16.676   6.5971   10.342   3.8678  970.345  221.944  779.796  163.624 190.5494 275.7389 
1 1 1  -29   11   28 o  1530.78   99.289   37.582   4.7335   43.477   8.3496   34.790   5.7460  1612.93  167.777  1461.61  126.808 151.3246 210.3079 
1 1 1  -29   11   30 o  2111.75   98.407   71.359   6.5071   79.846   11.533   67.395   7.8814  2182.22  170.124  2035.91  124.225 146.3129 210.6514 
1 1 1  -29   11   32 f  1542.10  101.566   38.378   4.8768   34.947   8.6379   39.983   5.9087  1412.31  200.996  1564.20  121.593 -151.8816 234.9131 
1 1 1  -29   11   34 o  1596.92  124.173   42.031   6.1602   0.0000   0.0000   42.031   6.1602  ?   ?   1596.92  124.173 0.000000 124.1727 
1 1 1  -29   11   36 o  1451.74  136.749   35.618   6.1430   0.0000   0.0000   35.618   6.1430  ?   ?   1451.74  136.749 0.000000 136.7489 
1 1 1  -29   11   38 o  620.577  169.368   7.1298   3.3830   0.0000   6.3720   9.9284   3.9922  465.329  209.195  729.329  176.677 -263.9998 273.8194 
1 1 1  -29   11   40 o  1129.93  122.019   22.058   4.2486   17.808   6.7164   24.893   5.4856  902.421  235.273  1170.93  153.297 -268.5060 280.8081 
1 1 1  -29   11   42 o  1224.68  146.953   27.717   5.5228   0.0000   0.0000   27.717   5.5228  ?   ?   1224.68  146.953 0.000000 146.9531 
1 1 1  -29   11   44 f  413.543  166.908   2.8703   3.3354   4.0192   5.5013   2.2024   4.1942  471.745  203.747  411.885  177.899 59.85999 270.4828 
1 1 1  -29   11   46 o  390.436  160.461   2.6179   3.1500  -3.7902   5.2808   6.1575   3.9248  332.907  161.593  509.560  187.310 -176.6536 247.3808 
1 1 1  -29   11   48 o  1005.04  142.782   20.603   4.3671   19.143   5.3163   23.631   7.6576  876.757  198.294  809.947  263.460 66.81006 329.7445 
1 1 1  -29   11   50 o  2311.40   99.465   98.481   7.1989   97.775   10.160   99.193   10.202  2081.55  157.035  2099.57  156.294 -18.01782 221.5580 
1 1 1  -29   11   52 o  1426.16  101.561   39.203   4.5057   31.231   6.1364   48.528   6.6371  1052.09  193.398  1442.14  149.133 -390.0438 244.2201 
1 1 1  -29   12    1 f  626.640  136.188   6.5206   2.5959   7.0248   3.9179   6.1262   3.4658  647.570  184.363  606.513  173.651 41.05682 253.2676 
1 1 1  -29   12    3 o  346.417  150.741  -0.4128   3.0566   0.0000   0.0000  -0.4128   3.0566  ?   ?   346.417  150.741 0.000000 150.7414 
1 1 1  -29   12    5 o  1140.17  105.926   20.803   3.7385   17.083   6.8759   22.364   4.4544  996.011  225.691  1178.36  122.516 -182.3466 256.8006 
1 1 1  -29   12    7 o  1209.86  103.060   23.379   3.8670   23.742   7.0440   23.223   4.6266  1190.09  195.838  1200.25  124.935 -10.16125 232.2957 
1 1 1  -29   12    9 o  299.645  136.085  -1.5653   2.7785  -0.2234   4.1565  -2.6493   3.7357  409.672  177.020  335.309  154.343 74.36279 234.8570 
1 1 1  -29   12   11 o  548.418  152.999   4.9938   2.7268   1.3612   4.8710   6.6519   3.2908  479.858  198.606  629.469  164.965 -149.6106 258.1816 
1 1 1  -29   12   13 o  695.092  169.705   8.1504   3.6615   5.7628   5.7521   9.7769   4.7476  628.155  227.387  757.054  198.015 -128.8990 301.5205 
1 1 1  -29   12   15 o  560.830  174.542   5.1321   3.3922   5.3838   5.0059   4.9185   4.6128  599.832  212.704  575.696  204.178 24.13654 294.8422 
1 1 1  -29   12   17 o  774.736  154.755   10.031   3.6228   20.204   6.0947   4.4719   4.5051  1097.18  183.909  557.370  201.317 539.8096 272.6737 
1 1 1  -29   12   19 o  1327.20  126.559   28.470   5.1958   34.759   7.8189   23.497   6.9530  1447.89  176.089  1179.16  195.138 268.7296 262.8425 
1 1 1  -29   12   21 o  2158.62   97.777   74.043   6.6089   80.409   11.952   71.239   7.9319  2208.55  174.243  2106.00  120.787 102.5461 212.0143 
1 1 1  -29   12   23 o  252.848  118.536  -2.3267   2.3653  -3.4864   4.7895  -1.9526   2.7201  374.142  173.117  285.788  131.605 88.35358 217.4617 
1 1 1  -29   12   25 o  1963.05  122.201   62.131   7.4742   76.917   10.986   49.390   10.198  2161.06  163.562  1712.01  193.644 449.0496 253.4768 
1 1 1  -29   12   27 o  446.635  160.574   2.8525   2.8622   2.0588   5.2166   3.1944   3.4236  503.946  206.730  477.922  175.053 26.02441 270.8888 
1 1 1  -29   12   29 o  711.329  147.617   8.5577   3.1802   3.6625   5.7146   10.754   3.8278  557.503  220.649  795.466  159.232 -237.9634 272.1044 
1 1 1  -29   12   31 o  2131.54  122.593   73.927   8.1479   0.0000   0.0000   73.927   8.1479  ?   ?   2131.54  122.593 0.000000 122.5933 
1 1 1  -29   12   33 o  3247.47  145.681  175.197   14.814   0.0000   0.0000  175.197   14.814  ?   ?   3247.47  145.681 0.000000 145.6812 
1 1 1  -29   12   35 o  1064.93  145.589   19.377   4.7276   0.0000   0.0000   19.377   4.7276  ?   ?   1064.93  145.589 0.000000 145.5892 
1 1 1  -29   12   37 o  1390.44  109.565   32.100   4.7316   30.671   8.0885   32.844   5.8340  1268.48  211.056  1385.53  136.233 -117.0457 251.2055 
1 1 1  -29   12   39 o  624.505  164.307   7.3108   3.2563   1.1325   5.1155   11.520   4.2223  442.009  193.604  778.327  177.220 -336.3175 262.4682 
1 1 1  -29   12   41 o  1223.41  117.025   25.906   4.4283   24.145   7.0730   27.042   5.6791  1064.05  219.571  1211.01  153.194 -146.9576 267.7307 
1 1 1  -29   12   43 o  1425.12   98.905   34.651   4.3862   36.510   6.1229   32.691   6.2864  1405.70  141.008  1307.36  156.687 98.33728 210.7936 
1 1 1  -29   12   45 o  829.963  136.595   13.075   3.4263   18.110   4.6954   7.3411   5.0111  943.412  164.955  544.739  209.170 398.6729 266.3878 
1 1 1  -29   12   47 o  567.563  169.548   7.2719   3.2443   5.8781   4.4133   8.9107   4.7856  485.914  193.402  571.451  207.322 -85.53723 283.5258 
1 1 1  -29   12   49 o  458.253  177.196   5.3605   3.6147   4.2590   4.1158   9.0759   7.5591  421.423  178.991  485.369  221.982 -63.94571 285.1563 
1 1 1  -29   12   51 o  1029.91  121.748   21.439   3.8503   20.260   5.1484   22.935   5.8000  859.701  195.650  876.021  213.413 -16.32007 289.5236 
1 1 1  -29   13    2 o  503.105  145.621   4.1491   2.4253   9.0140   3.5954   0.0867   3.2854  734.441  160.799  373.534  159.315 360.9074 226.3566 
1 1 1  -29   13    4 o  956.966  103.349   14.676   3.0477   17.433   4.3985   12.130   4.2268  1035.09  139.242  853.868  164.050 181.2205 215.1761 
1 1 1  -29   13    6 o  777.615  119.940   9.8373   2.8265   7.1498   4.1197   12.227   3.8852  654.546  189.885  861.198  149.498 -206.6527 241.6731 
1 1 1  -29   13    8 o  1807.33   83.435   51.558   4.7217   56.830   6.8747   46.849   6.4964  1886.70  116.945  1710.84  122.069 175.8566 169.0469 
1 1 1  -29   13   10 o  807.420  135.524   10.694   3.3049   10.039   4.3053   11.634   5.1569  771.094  181.353  826.592  201.151 -55.49829 270.8329 
1 1 1  -29   13   12 o  527.577  163.562   4.5023   2.9821   0.1131   3.6840   12.845   5.0790  394.828  168.556  870.847  191.474 -476.0193 255.0947 
1 1 1  -29   13   14 o  488.688  161.112   3.7194   2.8601   8.8005   3.6641  -4.2036   4.5755  723.732  165.312  354.141  165.654 369.5906 234.0283 
1 1 1  -29   13   16 o  310.867  137.750  -0.8118   2.6607  -0.4867   3.4289  -1.3038   4.2182  365.311  159.297  388.095  172.635 -22.78391 234.9007 
1 1 1  -29   13   18 o  1466.46   88.002   34.141   4.0222   28.467   5.8122   39.356   5.5719  1323.28  142.521  1567.69  114.296 -244.4064 182.6907 
1 1 1  -29   13   20 o  1616.36   87.840   41.471   4.4291   41.811   6.5669   41.188   5.9989  1609.53  131.447  1601.22  120.532 8.310669 178.3433 
1 1 1  -29   13   22 o  1362.66  101.760   29.679   4.3106   35.803   7.8099   26.996   5.1693  1470.93  172.863  1290.96  129.629 179.9612 216.0676 
1 1 1  -29   13   24 o  2858.31  132.249  131.498   11.836  117.995   16.538  145.679   16.948  2655.01  200.407  2966.70  183.340 -311.6943 271.6183 
1 1 1  -29   13   26 o  1105.71  111.341   19.740   3.8025   26.505   6.3496   15.957   4.7480  1262.49  164.531  976.573  160.872 285.9142 230.1095 
1 1 1  -29   13   28 o  2002.37  124.252   64.898   7.7520   0.0000   0.0000   64.898   7.7520  ?   ?   2002.37  124.252 0.000000 124.2524 
1 1 1  -29   13   30 o  760.734  172.552   10.008   4.0158   0.0000   0.0000   10.008   4.0158  ?   ?   760.734  172.552 0.000000 172.5516 
1 1 1  -29   13   32 o  236.860  115.841  -5.1860   2.8609 -11.0258   5.7450  -3.2603   3.2990  323.562  159.423  293.546  138.357 30.01633 211.0884 
1 1 1  -29   13   34 o  1393.93  106.711   31.767   4.6223   36.420   5.6715   22.563   7.9769  1482.80  123.269  1082.80  241.426 400.0052 271.0752 
1 1 1  -29   13   36 o  599.173  155.049   6.4195   2.9313   8.1910   4.0704   4.5111   4.2248  663.065  187.619  523.643  194.005 139.4222 269.8864 
1 1 1  -29   13   38 o  327.008  143.253  -0.0463   2.8016  -0.6546   3.9119   0.5943   4.0142  365.082  164.039  397.173  172.787 -32.09167 238.2524 
1 1 1  -29   13   40 o  468.052  169.499   3.8713   3.1966   5.2474   4.9135   2.8614   4.2093  532.072  206.354  453.348  185.805 78.72345 277.6785 
1 1 1  -29   13   42 o  1133.49  104.115   21.963   3.6540   19.451   5.1723   24.465   5.1628  999.690  171.403  1152.09  146.421 -152.4011 225.4287 
1 1 1  -29   13   44 o  838.872  133.338   13.031   3.3852   9.4520   4.4995   17.699   5.1387  642.227  201.208  918.638  185.044 -276.4118 273.3604 
1 1 1  -29   13   46 o  862.578  137.349   14.290   3.5853   8.2584   4.7047   22.645   5.5372  570.284  205.766  1028.40  178.423 -458.1167 272.3499 
1 1 1  -29   13   48 f  1440.47  124.707   39.596   5.5694   36.536   6.4849   48.196   10.872  1308.80  161.676  1164.16  297.220 144.6432 338.3466 
1 1 1  -29   13   50 o  1018.38  157.250   23.016   4.8529   21.608   5.5706   27.448   9.8842  899.712  202.607  668.552  280.297 231.1601 345.8551 
1 1 1  -29   14    1 o  577.036  150.504   5.5355   2.7477   3.9139   4.0729   6.8901   3.7224  530.011  191.419  642.583  178.578 -112.5716 261.7848 
1 1 1  -29   14    3 o  949.816  109.925   14.490   3.2089   9.5664   4.7239   18.707   4.3725  752.467  197.863  1075.39  132.663 -322.9219 238.2210 
1 1 1  -29   14    5 o  747.358  123.606   9.1111   2.7915   5.6904   3.8985   12.710   3.9989  593.908  187.468  878.889  150.734 -284.9811 240.5518 
1 1 1  -29   14    7 o  449.118  149.100   3.0860   2.4479   0.6343   3.6065   5.1805   3.3334  406.027  169.703  564.421  172.590 -158.3938 242.0465 
1 1 1  -29   14    9 o  634.118  164.090   6.7209   3.2831   8.9252   4.0071   2.2191   5.7264  728.521  177.331  534.862  217.677 193.6586 280.7659 
1 1 1  -29   14   11 o  771.178  149.460   9.8480   3.4788   13.656   4.1583   0.9682   6.3500  911.170  151.037  528.741  223.324 382.4286 269.6033 
1 1 1  -29   14   13 o  833.459  137.983   11.388   3.4750   14.312   4.5325   7.2188   5.4127  930.001  161.506  670.689  221.665 259.3119 274.2617 
1 1 1  -29   14   15 o  344.094  139.808   0.8071   2.3573  -1.8838   3.6823   2.6756   3.0684  347.827  157.447  450.504  165.617 -102.6778 228.5141 
1 1 1  -29   14   17 o  596.975  140.600   5.9374   2.5848   4.4690   3.8506   7.1418   3.4874  543.228  186.976  651.915  169.323 -108.6873 252.2507 
1 1 1  -29   14   19 o  962.586  109.660   14.913   3.2463   11.860   4.7230   17.648   4.4693  836.853  185.146  1039.68  140.916 -202.8270 232.6721 
1 1 1  -29   14   21 f  953.284  107.081   14.625   3.1410   16.508   4.4741   12.794   4.4108  1002.40  146.903  874.117  167.242 128.2853 222.5991 
1 1 1  -29   14   23 o  1241.77  110.695   24.765   4.2590   25.974   5.3789   22.734   6.9731  1263.32  138.232  1157.52  199.598 105.7998 242.7913 
1 1 1  -29   14   25 o  1129.01  112.802   20.562   3.9344   23.205   7.5243   19.567   4.6157  1159.30  215.203  1093.21  137.909 66.08472 255.5997 
1 1 1  -29   14   27 o  1583.06  102.375   40.155   5.0475   60.417   9.6154   32.449   5.9302  1912.45  162.093  1409.76  136.030 502.6934 211.6093 
1 1 1  -29   14   29 o  542.354  172.812   4.8795   3.3068   4.7615   6.8393   4.9154   3.7777  611.518  241.591  550.709  185.258 60.80939 304.4449 
1 1 1  -29   14   31 o  1262.18   96.401   25.690   3.7811   27.787   5.6210   23.957   5.1101  1292.22  141.216  1200.30  138.507 91.92981 197.8030 
1 1 1  -29   14   33 o  1440.88   91.525   33.511   4.1080   35.965   5.9419   31.264   5.6857  1470.78  130.373  1368.11  134.459 102.6649 187.2867 
1 1 1  -29   14   35 o  622.991  157.405   6.9162   3.0717   2.9355   4.3837   10.756   4.3055  480.655  192.277  766.541  182.080 -285.8858 264.8083 
1 1 1  -29   14   37 o  1934.35   88.879   60.842   5.3833   58.723   7.6227   62.949   7.6037  1855.76  132.043  1927.85  126.665 -72.08984 182.9737 
1 1 1  -29   14   39 o  925.942  139.054   15.156   3.9071   10.622   6.4765   17.750   4.8990  694.588  242.294  981.478  165.279 -286.8904 293.2976 
1 1 1  -29   14   41 o  709.407  154.976   9.4491   3.3462   11.775   4.6336   6.9143   4.8376  758.703  194.217  576.653  208.561 182.0497 284.9878 
1 1 1  -29   14   43 o  482.019  195.162   4.2824   4.5759   7.2373   6.5536   1.4715   6.3919  562.349  231.320  453.165  206.038 109.1834 309.7747 
1 1 1  -29   14   45 o  428.860  170.250   3.3543   3.4117   4.8779   3.9806  -0.8629   6.6225  482.115  186.080  410.519  194.260 71.59616 269.0026 
1 1 1  -29   14   47 o  411.994  170.085   3.1673   3.5594   0.8602   4.1547   9.5322   6.9009  367.800  166.796  551.109  232.793 -183.3092 286.3799 
1 1 1  -29   14   49 o  1067.48  147.413   23.650   4.7958   26.171   5.6185   16.881   9.2058  1078.40  172.180  578.879  256.382 499.5193 308.8330 
1 1 1  -29   15    2 o  552.254  150.136   5.0466   2.6644   3.4234   3.9154   6.4466   3.6362  508.342  187.052  623.382  177.659 -115.0394 257.9754 
1 1 1  -29   15    4 o  354.871  144.549   0.8156   2.5279   6.1281   4.0197  -2.6598   3.2512  613.764  189.834  307.186  142.311 306.5786 237.2540 
1 1 1  -29   15    6 o  451.805  168.976   2.5352   3.2199   5.1232   3.7136  -5.3039   6.4632  568.403  183.348  428.283  199.179 140.1204 270.7194 
1 1 1  -29   15    8 o  1104.83  123.358   19.636   4.1947   25.358   5.1498   8.3562   7.2309  1254.70  133.112  735.021  256.038 519.6757 288.5728 
1 1 1  -29   15   10 o  1236.67  113.505   24.459   4.3462   28.504   5.3159   16.303   7.5481  1331.94  129.081  971.888  247.395 360.0468 279.0451 
1 1 1  -29   15   12 o  479.406  173.572   3.1402   3.3518   3.0333   3.9305   3.4250   6.4178  495.073  186.390  587.010  233.355 -91.93665 298.6568 
1 1 1  -29   15   14 o  1047.35  105.259   17.551   3.4052   13.542   4.8181   21.552   4.8134  900.272  177.226  1154.19  135.781 -253.9169 223.2609 
1 1 1  -29   15   16 o  753.339  132.127   9.3128   3.0031   13.531   4.2696   5.1822   4.2247  905.221  156.280  579.093  195.908 326.1284 250.6064 
1 1 1  -29   15   18 o  1189.65   95.017   22.538   3.5099   20.658   4.9522   24.436   4.9755  1126.28  143.696  1230.01  131.209 -103.7335 194.5882 
1 1 1  -29   15   20 o  567.729  149.051   5.3789   2.6834   0.9796   3.7848   9.8257   3.8052  423.069  175.082  765.423  163.720 -342.3535 239.7035 
1 1 1  -29   15   22 o  2264.74  128.550   82.423   9.0785   80.005   13.014   84.714   12.671  2197.55  191.030  2268.68  179.839 -71.13086 262.3632 
1 1 1  -29   15   24 f  1188.32  113.142   22.744   4.1591   30.695   7.7229   19.496   4.9361  1352.71  187.361  1088.14  148.767 264.5703 239.2404 
1 1 1  -29   15   26 o  2360.25  102.949   88.881   7.6084   91.438   13.514   87.694   9.2062  2338.93  186.060  2330.15  126.652 8.778076 225.0759 
1 1 1  -29   15   28 o  645.211  143.370   7.0468   2.8213   4.6484   4.0187   9.3778   3.9619  545.312  190.823  736.821  174.425 -191.5091 258.5297 
1 1 1  -29   15   30 o  432.238  156.835   2.6907   2.7387   1.6024   3.9399   3.7081   3.8097  438.953  179.817  502.506  184.570 -63.55276 257.6826 
1 1 1  -29   15   32 o  1051.65  107.867   18.104   3.5017   18.023   5.2113   18.171   4.7283  1018.57  169.340  1033.17  150.583 -14.60571 226.6080 
1 1 1  -29   15   34 o  1759.31   92.426   50.131   5.0738   50.156   7.1310   50.104   7.2206  1729.73  132.671  1727.21  134.572 2.520996 188.9741 
1 1 1  -29   15   36 o  1156.61  108.051   22.198   3.8679   20.215   5.4653   24.187   5.4748  1061.27  170.217  1176.75  152.145 -115.4796 228.3021 
1 1 1  -29   15   38 o  969.767  144.330   16.580   4.2491   16.439   5.1241   16.892   7.6028  936.762  181.244  870.378  259.445 66.38434 316.4822 
1 1 1  -29   15   40 o  1635.76  111.227   45.322   5.6631   44.065   6.8855   47.949   9.9561  1577.69  140.861  1542.40  211.731 35.29041 254.3066 
1 1 1  -29   15   42 o  841.224  168.276   13.671   4.2777   13.659   4.9918   13.705   8.2996  809.482  198.467  709.967  270.006 99.51447 335.1008 
1 1 1  -29   15   44 o  486.614  203.533   4.4096   5.1930   13.750   6.9685  -7.2553   7.7876  710.249  251.056  384.362  188.629 325.8872 314.0221 
1 1 1  -29   15   46 f  1313.44  123.449   31.558   5.0175   27.740   5.8303   42.461   9.8517  1171.95  163.319  1261.81  258.048 -89.86328 305.3882 
1 1 1  -29   15   48 o  655.001  195.398   10.658   4.3112   11.835   4.9905   7.1977   8.5593  661.073  212.472  491.145  228.680 169.9283 312.1523 
1 1 1  -29   16    1 o  814.067  135.918   10.846   3.3425   6.3976   4.5247   16.189   4.9590  630.416  202.281  990.314  165.781 -359.8975 261.5361 
1 1 1  -29   16    3 o  750.205  189.051   9.4778   4.4392   9.4778   4.4392   0.0000   0.0000  750.205  189.051  ?   ?  0.000000 189.0505 
1 1 1  -29   16    5 o  668.788  247.380   6.1506   6.8638   6.1506   6.8638   0.0000   0.0000  668.788  247.380  ?   ?  0.000000 247.3804 
1 1 1  -29   16    7 o  517.527  183.841   3.8111   3.7411   3.8111   3.7411   0.0000   0.0000  517.527  183.841  ?   ?  0.000000 183.8410 
1 1 1  -29   16    9 o  396.953  152.021   1.7548   2.6426  -0.4517   3.3910   5.1671   4.2169  365.533  158.915  579.893  195.728 -214.3602 252.1181 
1 1 1  -29   16   11 o  341.691  143.847   0.2757   2.6206  -3.3365   3.3268   6.1822   4.2541  299.198  140.366  618.885  195.884 -319.6866 240.9841 
1 1 1  -29   16   13 o  885.723  142.120   12.837   3.8083   11.413   4.4066   17.040   7.5696  825.760  175.816  993.589  244.878 -167.8284 301.4574 
1 1 1  -29   16   15 o  343.015  143.239   0.4230   2.5661   1.1963   3.5227  -0.4512   3.7457  418.479  170.568  384.272  167.041 34.20682 238.7386 
1 1 1  -29   16   17 o  1898.59   89.128   56.960   5.2986   52.797   7.5454   61.010   7.4424  1812.82  133.874  1953.39  122.293 -140.5729 181.3219 
1 1 1  -29   16   19 o  1176.04  120.317   22.264   4.3682   11.694   7.8510   27.004   5.2571  829.136  266.499  1293.02  131.682 -463.8883 297.2576 
1 1 1  -29   16   21 o  1065.31  157.528   18.727   5.0963   17.755   7.6471   19.504   6.8354  1005.48  245.110  1067.47  211.975 -61.98743 324.0565 
1 1 1  -29   16   23 o  391.354  160.760   0.9700   3.1599   10.683   6.0951  -2.6002   3.6952  784.284  231.958  332.664  153.266 451.6204 278.0193 
1 1 1  -29   16   25 o  998.319  114.093   16.159   3.5025   16.672   5.0393   15.680   4.8715  995.529  167.613  964.954  167.290 30.57471 236.8124 
1 1 1  -29   16   27 o  838.356  125.234   11.589   3.1867   10.836   4.6324   12.265   4.3907  788.023  189.962  846.115  171.596 -58.09271 255.9897 
1 1 1  -29   16   29 o  372.049  149.267   1.2650   2.6504   0.9513   3.7751   1.5700   3.7219  414.178  173.411  429.769  175.264 -15.59122 246.5544 
1 1 1  -29   16   31 o  971.487  137.423   15.848   4.0637   22.448   5.0944   4.2998   6.7383  1155.45  143.927  585.352  236.889 570.0979 277.1849 
1 1 1  -29   16   33 o  985.090  190.947   17.509   5.6772   13.095   8.4401   21.156   7.6723  803.666  276.807  1047.81  239.120 -244.1456 365.7874 
1 1 1  -29   16   35 o  1390.14  115.587   32.089   4.9857   29.148   6.0230   38.490   8.8864  1299.06  150.880  1445.08  201.904 -146.0135 252.0517 
1 1 1  -29   16   37 o  1344.77  122.934   30.562   5.1192   31.148   6.2157   29.324   9.0259  1333.06  151.607  1191.59  249.887 141.4761 292.2807 
1 1 1  -29   16   39 o  1246.50  126.275   26.712   4.8606   24.181   5.8231   32.527   8.8266  1149.39  166.656  1255.72  233.064 -106.3311 286.5195 
1 1 1  -29   16   41 o  360.006  159.583   0.0596   3.5742  -1.7521   4.0438   6.5289   7.6416  343.084  158.861  580.288  245.035 -237.2042 292.0258 
1 1 1  -29   16   43 o  588.784  188.845   7.2376   3.9439   6.8604   4.5024   8.4811   8.1754  567.394  201.667  595.350  252.534 -27.95618 323.1767 
1 1 1  -29   16   45 o  1106.68  194.417   26.090   6.4912   27.126   8.6693   24.768   9.7931  989.488  271.571  859.142  298.041 130.3464 403.2112 
1 1 1  -29   16   47 o  1324.00  126.559   32.602   5.1829   27.616   5.9907   47.444   10.335  1147.14  172.088  1312.73  260.630 -165.5905 312.3178 
1 1 1  -29   17    2 o  378.552  164.234  -0.3852   3.6068  -1.2275   4.0356   2.9591   8.0411  381.514  169.322  623.900  256.386 -242.3868 307.2521 
1 1 1  -29   17    4 o  572.257  211.076   4.4102   4.9900   4.4102   4.9900   0.0000   0.0000  572.257  211.076  ?   ?  0.000000 211.0756 
1 1 1  -29   17    6 o  462.023  179.846   2.2462   3.7428  -2.8781   5.9737   5.5578   4.8022  443.150  200.573  605.607  208.784 -162.4573 289.5175 
1 1 1  -29   17    8 o  475.366  167.264   3.2422   3.0898   4.5521   3.9662   1.2200   4.9280  551.050  189.756  481.100  199.495 69.94983 275.3281 
1 1 1  -29   17   10 o  471.781  168.521   3.1116   3.1477   6.3341   4.0628  -1.7272   4.9785  622.343  190.579  418.538  186.764 203.8055 266.8354 
1 1 1  -29   17   12 o  775.778  150.243   9.9565   3.5178   7.8695   4.4355   13.495   5.7755  686.026  196.454  890.831  210.406 -204.8059 287.8626 
1 1 1  -29   17   14 o  1033.62  152.222   17.492   4.7792   17.492   4.7792   0.0000   0.0000  1033.62  152.222  ?   ?  0.000000 152.2222 
1 1 1  -29   17   16 o  393.141  170.637  -0.3917   3.8968  -5.3237   6.3585   2.5749   4.9315  422.048  196.706  515.165  204.632 -93.11725 283.8438 
1 1 1  -29   17   18 o  1399.46  136.166   31.664   5.8913   22.820   9.0246   38.232   7.7770  1139.69  258.792  1528.25  165.144 -388.5625 306.9945 
1 1 1  -29   17   20 o  1438.13  133.508   33.456   5.9435   39.006   8.5470   28.260   8.2705  1534.01  181.454  1289.38  212.235 244.6219 279.2293 
1 1 1  -29   17   22 o  670.706  168.003   7.6342   3.5208   6.8562   4.4309   8.9669   5.7992  640.294  199.515  725.566  228.605 -85.27240 303.4245 
1 1 1  -29   17   24 o  788.677  191.407   10.761   4.6790   10.761   4.6790   0.0000   0.0000  788.677  191.407  ?   ?  0.000000 191.4074 
1 1 1  -29   17   26 o  1105.50  153.885   20.394   5.1824   20.394   5.1824   0.0000   0.0000  1105.50  153.885  ?   ?  0.000000 153.8848 
1 1 1  -29   17   28 o  449.124  179.751   2.0455   3.8332   4.0729   4.8396  -1.3676   6.2793  542.182  206.184  466.926  208.951 75.25592 293.5518 
1 1 1  -29   17   30 o  374.997  158.335   0.5837   3.1903   1.2199   3.8559  -0.7969   5.6803  423.188  176.054  450.777  200.434 -27.58914 266.7744 
1 1 1  -29   17   32 o  1249.51  127.205   25.938   4.9075   26.065   5.7772   25.609   9.3009  1237.69  152.282  1139.59  265.569 98.09912 306.1320 
1 1 1  -29   17   34 o  1355.32  119.574   30.487   5.0225   29.031   6.0208   33.819   9.1075  1301.36  150.531  1339.76  225.079 -38.39807 270.7770 
1 1 1  -29   17   36 o  360.349  159.985  -0.4643   3.6059   2.0180   4.0691  -9.5435   7.7820  442.421  182.163  401.892  195.328 40.52856 267.0891 
1 1 1  -29   17   38 o  381.064  164.941   0.5124   3.6210   3.2961   4.0637 -10.2175   7.9782  474.282  186.589  396.314  193.745 77.96823 268.9846 
1 1 1  -29   17   40 o  1302.82  124.110   29.178   5.0018   25.461   5.7772   40.305   9.9950  1182.93  160.084  1384.44  239.214 -201.5187 287.8372 
1 1 1  -29   17   42 o  890.016  167.075   15.047   4.4852   15.730   5.2668   13.242   8.5558  881.404  195.914  709.344  273.081 172.0599 336.0886 
1 1 1  -29   17   44 o  1067.05  145.677   21.138   4.7402   23.943   5.4000   11.716   9.8958  1121.33  158.190  633.442  273.426 487.8839 315.8891 
1 1 1  -29   18    1 o  910.342  151.647   13.666   4.1706   12.372   4.5520   20.436   10.409  858.580  175.248  1067.06  299.369 -208.4794 346.8912 
1 1 1  -29   18    3 o  824.812  140.388   11.179   3.4959   15.282   4.6704   5.9504   5.2719  961.713  160.770  626.291  218.595 335.4221 271.3499 
1 1 1  -29   18    5 o  818.761  136.023   10.983   3.3649   8.0436   4.6666   14.166   4.8564  693.008  202.401  921.503  174.701 -228.4944 267.3701 
1 1 1  -29   18    7 o  420.334  172.752   1.0602   3.6512  -4.0515   7.0621   2.9251   4.2656  469.367  214.626  502.666  192.992 -33.29874 288.6349 
1 1 1  -29   18    9 o  476.762  163.238   3.3952   2.9335   2.2901   3.9070   4.8233   4.4414  469.250  183.447  571.168  200.568 -101.9176 271.8097 
1 1 1  -29   18   11 f  670.926  159.908   7.5323   3.3118   5.1445   4.4117   10.615   5.0130  581.651  200.139  790.445  201.833 -208.7941 284.2392 
1 1 1  -29   18   13 o  270.458  130.166  -4.7845   3.2511  -9.9580   5.5559  -2.0905   4.0093  332.253  162.269  361.674  163.951 -29.42072 230.6753 
1 1 1  -29   18   15 o  510.716  194.664   3.1569   4.3201  -1.6960   7.0249   6.1085   5.4786  502.679  223.233  634.243  222.756 -131.5633 315.3621 
1 1 1  -29   18   17 o  690.927  253.240   7.0189   7.1665   7.0189   7.1665   0.0000   0.0000  690.927  253.240  ?   ?  0.000000 253.2398 
1 1 1  -29   18   19 o  442.857  177.429   1.7464   3.7391   1.7464   3.7391   0.0000   0.0000  442.857  177.429  ?   ?  0.000000 177.4294 
1 1 1  -29   18   21 o  574.758  194.512   5.2256   4.1648   5.2256   4.1648   0.0000   0.0000  574.758  194.512  ?   ?  0.000000 194.5122 
1 1 1  -29   18   23 o  656.294  194.539   7.3542   4.2835   7.3542   4.2835   0.0000   0.0000  656.294  194.539  ?   ?  0.000000 194.5391 
1 1 1  -29   18   25 o  453.597  182.515   1.9212   3.9751   1.9212   3.9751   0.0000   0.0000  453.597  182.515  ?   ?  0.000000 182.5148 
1 1 1  -29   18   27 o  939.436  230.903   16.036   6.7441   16.036   6.7441   0.0000   0.0000  939.436  230.903  ?   ?  0.000000 230.9029 
1 1 1  -29   18   29 o  918.873  174.371   14.632   4.8335   14.632   4.8335   0.0000   0.0000  918.873  174.371  ?   ?  0.000000 174.3707 
1 1 1  -29   18   31 o  891.102  177.346   13.954   4.7744   13.954   4.7744   0.0000   0.0000  891.102  177.346  ?   ?  0.000000 177.3463 
1 1 1  -29   18   33 o  496.432  191.448   3.4348   4.2108   3.4348   4.2108   0.0000   0.0000  496.432  191.448  ?   ?  0.000000 191.4478 
1 1 1  -29   18   35 o  477.764  193.909   2.6598   4.5291   2.6598   4.5291   0.0000   0.0000  477.764  193.909  ?   ?  0.000000 193.9092 
1 1 1  -29   18   37 o  598.047  205.591   6.6350   4.6548   6.6350   4.6548   0.0000   0.0000  598.047  205.591  ?   ?  0.000000 205.5906 
1 1 1  -29   18   39 o  444.442  185.390   2.0873   4.2919   2.0873   4.2919   0.0000   0.0000  444.442  185.390  ?   ?  0.000000 185.3902 
1 1 1  -29   18   41 f  382.160  171.473  -0.2854   4.2588  -0.2854   4.2588   0.0000   0.0000  382.160  171.473  ?   ?  0.000000 171.4733 
1 1 1  -29   18   43 o  562.885  209.947   6.5909   4.9641   6.5909   4.9641   0.0000   0.0000  562.885  209.947  ?   ?  0.000000 209.9466 
1 1 1  -29   19    2 o  446.074  169.624   2.3665   3.2753   0.3649   4.3093   5.1045   5.0401  431.089  183.125  592.818  213.085 -161.7287 280.9622 
1 1 1  -29   19    4 f  449.692  165.555   2.6617   3.0677  -2.0998   4.1929   8.1465   4.5002  371.046  167.980  695.122  197.479 -324.0762 259.2583 
1 1 1  -29   19    6 o  564.060  190.861   4.9145   4.0099   5.4705   4.3593   1.8580   10.221  591.722  199.010  661.926  281.628 -70.20331 344.8470 
1 1 1  -29   19    8 o  358.192  171.778  -7.4832   5.5461  -3.3150   7.1187 -13.9207   8.8468  481.403  218.321  430.182  208.889 51.22092 302.1573 
1 1 1  -29   19   10 o  1216.25  278.153   26.172   10.363   0.0000   0.0000   26.172   10.363  ?   ?   1216.25  278.153 0.000000 278.1528 
1 1 1  -29   19   12 o  1409.57  165.110   32.551   7.1494   35.353   9.5513   28.981   10.782  1447.53  217.447  1280.46  276.966 167.0653 352.1271 
1 1 1  -29   19   14 o  480.908  205.066   0.4390   5.4413  -7.2924   7.0629   11.728   8.5346  425.664  201.178  833.758  278.466 -408.0941 343.5347 
1 1 1  -29   19   16 o  757.333  179.165   9.7271   4.1823   10.009   4.7646   8.7821   8.7305  765.102  197.523  760.030  279.368 5.071838 342.1430 
1 1 1  -29   19   18 o  400.556  175.348  -0.6270   4.1910  -0.6270   4.1910   0.0000   0.0000  400.556  175.348  ?   ?  0.000000 175.3484 
1 1 1  -29   19   20 o  360.233  159.027  -0.8248   3.5138  -3.0661   3.9281   8.1497   7.8602  336.940  156.212  725.428  265.315 -388.4883 307.8869 
1 1 1  -29   19   22 o  427.923  174.220   1.4224   3.6699   6.2476   4.1218 -17.0317   8.0608  611.844  192.723  373.690  184.986 238.1531 267.1366 
1 1 1  -29   19   24 o  661.854  178.445   7.5313   3.7824   8.1999   4.3930   5.6151   7.4372  688.239  194.970  648.847  253.255 39.39209 319.6117 
1 1 1  -29   19   26 o  234.251  118.120 -12.6685   4.0566 -12.4840   4.7589 -13.1587   7.7589  269.576  134.830  388.505  190.167 -118.9289 233.1155 
1 1 1  -29   19   28 o  340.073  156.003  -2.2470   3.7724  -2.2470   3.7724   0.0000   0.0000  340.073  156.003  ?   ?  0.000000 156.0030 
1 1 1  -29   19   30 o  399.829  177.262  -0.7664   4.4115  -0.7664   4.4115   0.0000   0.0000  399.829  177.262  ?   ?  0.000000 177.2619 
1 1 1  -29   19   32 o  589.570  214.390   5.7021   5.1217   5.7021   5.1217   0.0000   0.0000  589.570  214.390  ?   ?  0.000000 214.3896 
1 1 1  -29   19   34 o  897.243  199.085   14.769   5.4471   14.769   5.4471   0.0000   0.0000  897.243  199.085  ?   ?  0.000000 199.0847 
1 1 1  -29   19   36 f  799.495  205.399   12.105   5.1694   12.105   5.1694   0.0000   0.0000  799.495  205.399  ?   ?  0.000000 205.3986 
1 1 1  -29   19   38 o  663.057  215.669   8.5818   5.1314   8.5818   5.1314   0.0000   0.0000  663.057  215.669  ?   ?  0.000000 215.6688 
1 1 1  -29   19   40 o  498.212  198.463   3.8044   4.6508   3.8044   4.6508   0.0000   0.0000  498.212  198.463  ?   ?  0.000000 198.4630 
1 1 1  -29   19   42 o  514.181  207.859   4.4630   5.1819   4.4630   5.1819   0.0000   0.0000  514.181  207.859  ?   ?  0.000000 207.8593 
1 1 1  -29   20    1 o  529.930  191.845   3.9530   4.0946   6.3232   4.4249 -10.1688   10.801  623.403  200.039  527.743  249.227 95.66016 319.5771 
1 1 1  -29   20    3 o  525.195  196.755   3.5651   4.3693   3.5651   4.3693   0.0000   0.0000  525.195  196.755  ?   ?  0.000000 196.7551 
1 1 1  -29   20    5 o  784.929  174.978   10.379   4.1909   9.0444   4.5628   17.579   10.598  730.041  195.637  993.551  308.390 -263.5103 365.2098 
1 1 1  -29   20    7 o  691.360  241.272   7.4354   6.4223   4.6024   8.2641   11.756   10.205  660.591  264.091  852.592  303.552 -192.0013 402.3529 
1 1 1  -29   20    9 o  538.690  223.240   1.8117   6.1655   1.3789   7.8594   2.5043   9.9419  585.304  247.902  664.096  279.908 -78.79144 373.9032 
1 1 1  -29   20   11 o  547.114  223.817   2.3040   6.0934   2.2976   7.6686   2.3148   10.036  596.643  248.253  662.721  280.381 -66.07745 374.4908 
1 1 1  -29   20   13 o  555.383  192.816   4.6598   4.0992   6.8971   4.5090  -5.9958   9.8403  645.902  201.268  540.586  249.431 105.3163 320.5069 
1 1 1  -29   20   15 o  839.855  170.490   11.858   4.3304   13.446   4.7328   3.6882   10.732  894.167  175.302  699.431  292.577 194.7368 341.0751 
1 1 1  -29   20   17 o  1076.91  146.536   19.031   4.8130   22.306   5.4297   7.0213   10.398  1165.23  152.474  748.992  297.255 416.2348 334.0792 
1 1 1  -29   20   19 o  704.646  203.025   8.4905   4.7241   8.4905   4.7241   0.0000   0.0000  704.646  203.025  ?   ?  0.000000 203.0247 
1 1 1  -29   20   21 o  519.405  190.361   3.7872   4.0494   5.5438   4.5196  -3.3621   9.1177  591.898  202.617  543.570  246.732 48.32715 319.2655 
1 1 1  -29   20   23 o  1160.61  135.613   22.059   4.8354   12.406   5.4852   55.719   10.242  841.584  209.081  1824.96  181.654 -983.3713 276.9712 
1 1 1  -29   20   25 o  944.013  186.933   15.356   5.3301   16.276   6.4370   13.350   9.5068  958.015  219.315  856.996  293.859 101.0184 366.6776 
1 1 1  -29   20   27 o  525.202  187.831   4.1869   3.9115   7.0614   4.3629  -7.5870   8.8300  640.156  197.736  476.512  225.128 163.6437 299.6364 
1 1 1  -29   20   29 o  897.610  170.760   13.884   4.6241   11.640   5.3001   21.037   9.4621  805.031  208.571  1040.22  282.984 -235.1874 351.5416 
1 1 1  -29   20   31 o  558.982  196.636   5.0803   4.2699   7.6056   5.0025  -1.6972   8.1955  655.857  212.924  520.040  235.192 135.8167 317.2572 
1 1 1  -29   20   33 o  1354.04  132.113   30.514   5.5300   31.138   6.4614   28.806   10.692  1353.06  155.323  1190.04  289.656 163.0250 328.6731 
1 1 1  -29   20   35 o  578.791  203.320   5.7813   4.5644   2.1683   5.2304   17.319   9.3468  489.132  204.398  901.286  290.894 -412.1546 355.5249 
1 1 1  -29   20   37 o  487.331  188.443   3.4464   4.0882   2.4979   4.5374   7.5377   9.4235  471.695  193.070  667.063  276.178 -195.3673 336.9724 
1 1 1  -29   20   39 o  696.152  196.409   9.3221   4.4675   9.8424   5.0112   7.3076   9.8613  706.903  210.616  649.522  276.493 57.38092 347.5737 
1 1 1  -29   21    2 o  506.934  191.036   3.2375   4.1308   4.2522   4.4084  -4.0666   11.828  549.206  199.024  623.370  282.177 -74.16382 345.3035 
1 1 1  -29   21    4 f  583.444  238.558   2.7266   6.9181   3.5633   8.6189   1.2112   11.599  648.830  265.895  686.409  296.157 -37.57898 398.0066 
1 1 1  -29   21    6 o  532.605  240.026  -3.1028   8.4488  -3.1028   8.4488   0.0000   0.0000  532.605  240.026  ?   ?  0.000000 240.0263 
1 1 1  -29   21    8 o  506.923  223.822  -1.3169   6.9633  -3.1126   8.4789   2.4033   12.204  533.434  240.422  718.265  306.717 -184.8301 389.7148 
1 1 1  -29   21   10 f  1107.83  275.229   21.780   9.5049   21.780   9.5049   0.0000   0.0000  1107.83  275.229  ?   ?  0.000000 275.2290 
1 1 1  -29   21   12 o  998.510  165.645   16.539   4.9975   15.148   5.4395   24.070   12.657  946.889  190.065  1142.36  333.246 -195.4685 383.6375 
1 1 1  -29   21   14 o  544.211  193.165   4.3367   4.1294   4.2880   4.4583   4.6305   10.955  550.992  200.075  721.513  298.167 -170.5212 359.0732 
1 1 1  -29   21   16 o  511.701  190.243   3.4719   4.0696   4.5848   4.3850  -3.4406   10.928  558.591  198.969  602.370  272.084 -43.77911 337.0735 
1 1 1  -29   21   18 o  740.341  202.450   9.4012   4.8281   9.4012   4.8281   0.0000   0.0000  740.341  202.450  ?   ?  0.000000 202.4497 
1 1 1  -29   21   20 o  1355.89  134.247   29.863   5.6247   29.644   6.4287   30.578   11.616  1342.60  155.815  1291.82  293.801 50.78394 332.5616 
1 1 1  -29   21   22 f  441.635  181.173   1.3850   4.0067  -0.7657   4.3936   12.007   9.7643  405.700  178.519  837.181  297.046 -431.4806 346.5620 
1 1 1  -29   21   24 o  609.013  209.347   5.9496   4.8264   6.1092   5.5276   5.4375   9.9011  626.039  223.350  697.684  285.345 -71.64551 362.3632 
1 1 1  -29   21   26 o  403.531  173.311   0.1595   3.9371   1.5948   4.3255  -6.7731   9.5065  457.847  188.083  509.372  238.428 -51.52423 303.6822 
1 1 1  -29   21   28 o  931.249  164.980   14.756   4.6347   10.264   5.2110   31.762   10.139  759.450  211.372  1316.52  255.157 -557.0661 331.3358 
1 1 1  -29   21   30 o  753.224  197.754   10.098   4.7235   6.4851   5.3479   22.915   10.073  625.411  220.055  1079.59  291.269 -454.1824 365.0504 
1 1 1  -29   21   32 o  704.752  202.503   8.9410   4.7056   6.9707   5.3614   15.549   9.8186  636.587  220.541  881.098  298.658 -244.5103 371.2611 
1 1 1  -29   21   34 o  904.934  173.156   14.396   4.7278   13.829   5.3181   16.535   10.325  871.968  199.146  886.859  306.115 -14.89050 365.1926 
1 1 1  -29   21   36 o  322.416  151.649  -3.4025   3.9258  -0.7111   4.4217 -13.4242   8.5323  395.205  176.206  400.221  196.620 -5.016357 264.0229 
1 1 1  -29   22    1 o  612.355  253.691   2.6193   7.9588  -3.1726   9.4645   16.604   14.707  565.233  254.451  993.536  362.982 -428.3030 443.2850 
1 1 1  -29   22    3 o  508.632  228.307  -2.5998   7.5572  -1.7069   9.0517  -4.6542   13.730  573.068  253.997  668.384  303.151 -95.31598 395.4932 
1 1 1  -29   22    5 o  1071.53  249.778   19.994   8.2259   31.572   10.031  -3.7845   14.375  1355.34  245.390  694.028  312.899 661.3087 397.6457 
1 1 1  -29   22    7 o  426.151  178.069   0.7583   3.9694   2.0012   4.1204 -15.2762   14.800  468.146  186.703  600.494  285.955 -132.3481 341.5085 
1 1 1  -29   22    9 o  362.428  166.290  -2.8343   4.2891  -1.9190   4.4872 -12.5187   14.596  389.774  175.359  616.730  290.787 -226.9559 339.5702 
1 1 1  -29   22   11 o  934.659  182.036   14.669   5.1360   13.457   5.5284   22.312   13.880  888.466  203.141  1103.40  354.316 -214.9322 408.4193 
1 1 1  -29   22   13 o  711.335  197.424   8.5726   4.5527   5.6212   4.8494   30.498   13.217  605.744  209.753  1287.58  327.168 -681.8367 388.6327 
1 1 1  -29   22   15 o  526.076  193.199   3.7823   4.1740   3.9377   4.4229   2.5168   12.620  538.417  198.695  726.228  311.055 -187.8112 369.1000 
1 1 1  -29   22   17 o  432.464  185.975   0.0155   4.5439   0.0155   4.5439   0.0000   0.0000  432.464  185.975  ?   ?  0.000000 185.9750 
1 1 1  -29   22   19 o  507.422  204.779   2.2857   5.0202   2.2857   5.0202   0.0000   0.0000  507.422  204.779  ?   ?  0.000000 204.7793 
1 1 1  -29   22   21 o  604.993  202.151   5.8855   4.4977   4.3601   4.8947   14.162   11.401  561.955  208.696  902.535  320.903 -340.5798 382.7958 
1 1 1  -29   22   23 o  876.873  219.622   13.495   6.0171   15.797   7.0584   7.3720   11.510  942.417  238.877  766.480  309.813 175.9370 391.2115 
1 1 1  -29   22   25 o  702.692  207.074   8.5414   4.8653   9.0159   5.4219   6.5799   11.024  721.016  220.044  739.149  301.557 -18.13306 373.3038 
1 1 1  -29   22   27 o  662.615  199.228   7.5713   4.4689   7.1511   4.9200   9.5528   10.684  649.766  211.170  782.526  304.067 -132.7599 370.2021 
1 1 1  -29   22   29 o  761.185  193.648   10.192   4.6266   8.8606   5.0511   17.128   11.529  708.701  211.521  936.473  323.469 -227.7720 386.4882 
1 1 1  -29   22   31 o  643.238  201.641   7.2200   4.5181   9.6099   4.9109  -5.9547   11.530  732.877  205.628  565.489  264.004 167.3882 334.6356 
1 1 1  -29   22   33 o  624.152  211.773   6.7347   4.9368   9.7776   5.4566  -6.9944   11.590  730.850  220.236  550.119  259.301 180.7307 340.2077 
1 1 1  -29   23    2 f  501.980  201.070   2.2570   4.8007   2.2570   4.8007   0.0000   0.0000  501.980  201.070  ?   ?  0.000000 201.0703 
1 1 1  -29   23    4 o  493.399  192.587   2.5918   4.3009   0.2894   4.4522   34.737   16.636  436.733  185.844  1357.89  377.573 -921.1537 420.8320 
1 1 1  -29   23    6 o  371.864  170.892  -3.1020   4.5547  -3.7197   4.7502   3.9433   16.042  371.430  172.053  823.062  351.564 -451.6321 391.4070 
1 1 1  -29   23    8 o  554.806  198.689   4.4040   4.3782   4.1521   4.5572   7.4244   15.779  551.148  201.952  864.217  357.553 -313.0684 410.6447 
1 1 1  -29   23   10 o  551.948  205.851   3.9927   4.7721   3.6054   5.0064   7.8416   15.782  547.193  209.320  869.068  358.396 -321.8755 415.0453 
1 1 1  -29   23   12 o  581.408  211.049   4.7765   4.9602   7.2458   5.1895 -21.3342   16.875  667.963  216.867  610.490  294.481 57.47205 365.7192 
1 1 1  -29   23   14 o  436.803  188.508  -0.1607   4.7017  -0.4263   4.9612   2.1804   14.730  442.567  192.312  770.318  333.047 -327.7505 384.5834 
1 1 1  -29   23   16 o  654.540  208.931   7.0263   4.8318   7.0263   4.8318   0.0000   0.0000  654.540  208.931  ?   ?  0.000000 208.9306 
1 1 1  -29   23   18 o  394.824  173.816  -0.8662   4.1696  -1.4805   4.3966   4.6242   13.144  393.089  175.452  766.169  322.331 -373.0804 366.9890 
1 1 1  -29   23   20 o  797.054  206.226   10.939   5.1862   7.7723   5.5668   31.750   14.271  686.395  224.699  1292.62  345.812 -606.2263 412.4025 
1 1 1  -29   23   22 o  537.614  207.113   3.5171   4.9241   2.4848   5.3882   8.7476   12.129  524.397  211.968  806.257  320.708 -281.8601 384.4272 
1 1 1  -29   23   24 o  527.400  198.831   3.6644   4.4759   4.5163   4.8404  -1.3616   11.757  564.206  207.921  642.932  286.941 -78.72601 354.3533 
1 1 1  -29   23   26 o  634.054  203.131   6.7389   4.5641   6.0569   4.9769   10.347   11.447  615.315  212.524  814.358  315.204 -199.0430 380.1582 
1 1 1  -29   23   28 o  877.910  194.317   13.422   5.2005   15.972   5.8035   3.0324   11.716  956.950  200.117  690.370  297.756 266.5809 358.7557 
1 1 1  -29   23   30 o  645.532  212.960   7.1055   4.9968   5.0742   5.5598   15.639   11.395  589.750  221.750  903.109  320.849 -313.3582 390.0217 
1 1 1  -29   24    1 o  475.853  189.092   2.1110   4.2125   0.5862   4.3509   24.939   16.835  439.796  185.258  1167.08  391.091 -727.2854 432.7504 
1 1 1  -29   24    3 o  415.903  186.844  -2.0813   5.0729  -0.2988   5.3062 -21.0309   17.300  461.641  199.742  625.847  300.978 -164.2060 361.2264 
1 1 1  -29   24    5 f  719.429  221.814   8.5904   5.4931   5.4807   5.7752   38.101   17.791  624.170  227.552  1422.07  388.517 -797.9003 450.2502 
1 1 1  -29   24    7 o  608.435  225.506   4.9966   5.7093   2.4789   6.0456   25.754   17.359  552.268  224.074  1185.22  397.132 -632.9506 455.9861 
1 1 1  -29   24    9 o  396.801  183.192  -3.8890   5.3191  -4.7242   5.5980   3.8709   17.064  397.297  184.969  843.770  361.555 -446.4734 406.1227 
1 1 1  -29   24   11 o  907.732  228.817   14.155   6.5018   14.705   7.0340   10.926   17.039  922.907  240.847  935.205  377.319 -12.29840 447.6346 
1 1 1  -29   24   13 o  548.482  210.051   3.6019   5.0450   2.2428   5.2710   18.441   17.417  518.828  209.673  1052.29  393.105 -533.4609 445.5270 
1 1 1  -29   24   15 o  751.664  223.633   9.5521   5.6528   9.5521   5.6528   0.0000   0.0000  751.664  223.633  ?   ?  0.000000 223.6329 
1 1 1  -29   24   17 o  520.826  200.711   3.1594   4.6256   7.0563   4.8749 -32.0477   14.653  656.640  209.887  493.635  245.232 163.0051 322.7861 
1 1 1  -29   24   19 o  788.896  211.738   10.678   5.3398   11.718   5.7001   3.2242   15.262  824.725  217.579  789.917  340.269 34.80835 403.8853 
1 1 1  -29   24   21 o  445.889  190.634   0.2561   4.7248   0.2561   4.7248   0.0000   0.0000  445.889  190.634  ?   ?  0.000000 190.6344 
1 1 1  -29   24   23 o  688.396  217.040   7.9687   5.2266   9.5550   5.6229  -2.1103   14.173  745.718  223.309  695.671  312.434 50.04712 384.0334 
1 1 1  -29   24   25 o  532.051  207.580   3.2956   4.9949   1.3384   5.4617   13.299   12.348  497.848  208.524  887.795  331.122 -389.9467 391.3107 
1 1 1  -29   25    2 f  404.888  168.505   0.7099   3.5342   1.5510   3.6357 -13.7268   15.062  435.102  174.733  623.788  294.502 -188.6854 342.4370 
1 1 1  -29   25    4 o  651.486  215.117   6.7337   5.0981   5.8394   5.3491   15.598   16.840  626.403  220.103  1009.97  384.482 -383.5704 443.0251 
1 1 1  -29   25    6 o  455.668  195.742  -0.0360   5.0239   1.9217   5.2526 -21.0608   17.214  511.373  208.339  625.522  300.677 -114.1486 365.8025 
1 1 1  -29   25    8 o  321.563  157.411  -9.9882   5.3189  -9.9882   5.3189   0.0000   0.0000  321.563  157.411  ?   ?  0.000000 157.4113 
1 1 1  -29   25   10 o  1114.11  195.058   20.720   6.5568   18.587   7.0763   33.665   17.434  1045.01  223.048  1340.19  391.144 -295.1742 450.2710 
1 1 1  -29   25   12 o  675.523  314.143 -10.4521   16.074   0.0000   0.0000 -10.4521   16.074  ?   ?   675.523  314.143 0.000000 314.1433 
1 1 1  -29   25   14 o  795.474  246.653   10.652   6.7813   10.652   6.7813   0.0000   0.0000  795.474  246.653  ?   ?  0.000000 246.6531 
1 1 1  -29   25   16 o  368.853  172.370  -4.4643   4.9341  -8.0625   5.1702   32.250   16.515  333.865  161.531  1306.75  380.506 -972.8842 413.3723 
1 1 1  -29   25   18 f  633.628  231.910   5.7050   6.0070   3.3898   6.6046   16.790   14.451  589.234  235.904  995.573  360.414 -406.3391 430.7544 
1 1 1  -29   25   20 o  926.498  196.469   14.586   5.5229   15.403   5.8927   8.6870   15.840  950.190  204.143  874.256  359.625 75.93390 413.5264 
1 1 1  -28    0    2 o  1020.51  126.463   17.286   3.8742   17.286   3.8742   17.286   3.8742  1020.51  126.463  1020.51  126.463 -0.000000 0.000000 
1 1 1  -28    0    4 o  979.138  136.617   16.125   3.9552   16.125   3.9552   16.125   3.9552  979.138  136.617  979.138  136.617 -0.000000 0.000000 
1 1 1  -28    0    6 o  637.711  176.765   7.8257   3.0530   7.8257   3.0530   7.8257   3.0530  637.711  176.765  637.711  176.765 -0.000000 0.000000 
1 1 1  -28    0    8 o  322.808  185.168   2.2064   2.9745   2.2064   2.9745   2.2064   2.9745  322.808  185.168  322.808  185.168 -0.000000 0.000000 
1 1 1  -28    0   10 o  1803.80  115.884   52.293   6.4833   52.293   6.4833   52.293   6.4833  1803.80  115.884  1803.80  115.884 -0.000000 0.000000 
1 1 1  -28    0   12 o  415.258  240.420   3.7331   5.0876   3.7331   5.0876   3.7331   5.0876  415.258  240.420  415.258  240.420 -0.000000 0.000000 
1 1 1  -28    0   14 o  158.586  112.031  -2.6941   2.2510  -2.6941   2.2510  -2.6941   2.2510  158.586  112.031  158.586  112.031 -0.000000 0.000000 
1 1 1  -28    0   16 o  374.519  192.964   3.3465   2.8954   3.3465   2.8954   3.3465   2.8954  374.519  192.964  374.519  192.964 -0.000000 0.000000 
1 1 1  -28    0   18 o  556.190  216.682   6.8429   3.6000   6.8429   3.6000   6.8429   3.6000  556.190  216.682  556.190  216.682 -0.000000 0.000000 
1 1 1  -28    0   20 o  821.028  156.031   11.832   3.5900   11.832   3.5900   11.832   3.5900  821.028  156.031  821.028  156.031 -0.000000 0.000000 
1 1 1  -28    0   22 o  817.303  161.258   11.802   3.6698   11.802   3.6698   11.802   3.6698  817.303  161.258  817.303  161.258 -0.000000 0.000000 
1 1 1  -28    0   24 o  1787.88  122.410   51.411   6.7791   51.411   6.7791   51.411   6.7791  1787.88  122.410  1787.88  122.410 -0.000000 0.000000 
1 1 1  -28    0   26 o  1983.65  171.053   64.502   10.443   64.502   10.443   64.502   10.443  1983.65  171.053  1983.65  171.053 -0.000000 0.000000 
1 1 1  -28    0   28 o  200.991  135.942  -1.1696   2.5180  -1.1696   2.5180  -1.1696   2.5180  200.991  135.942  200.991  135.942 -0.000000 0.000000 
1 1 1  -28    0   30 o  521.284  202.008   5.9485   3.1356   5.9485   3.1356   5.9485   3.1356  521.284  202.008  521.284  202.008 -0.000000 0.000000 
1 1 1  -28    0   32 o  1205.15  131.165   23.861   4.8010   23.861   4.8010   23.861   4.8010  1205.15  131.165  1205.15  131.165 -0.000000 0.000000 
1 1 1  -28    0   34 o  2522.62  126.638  101.802   9.9456  101.802   9.9456  101.802   9.9456  2522.62  126.638  2522.62  126.638 -0.000000 0.000000 
1 1 1  -28    0   36 o  186.778  130.835  -2.9084   2.8759  -2.9084   2.8759  -2.9084   2.8759  186.778  130.835  186.778  130.835 -0.000000 0.000000 
1 1 1  -28    0   38 o  1406.28  124.289   32.099   5.3746   32.099   5.3746   32.099   5.3746  1406.28  124.289  1406.28  124.289 -0.000000 0.000000 
1 1 1  -28    0   40 o  1542.53  180.896   39.802   8.4230   39.802   8.4230   39.802   8.4230  1542.53  180.896  1542.53  180.896 -0.000000 0.000000 
1 1 1  -28    0   42 o  2491.96  184.332  101.994   14.202  101.994   14.202  101.994   14.202  2491.96  184.332  2491.96  184.332 -0.000000 0.000000 
1 1 1  -28    0   44 o  282.774  191.081  -1.9687   4.9536  -1.9687   4.9536  -1.9687   4.9536  282.774  191.081  282.774  191.081 -0.000000 0.000000 
1 1 1  -28    0   46 o  446.561  261.721   4.4630   6.1468   4.4630   6.1468   4.4630   6.1468  446.561  261.721  446.561  261.721 -0.000000 0.000000 
1 1 1  -28    0   48 o  471.368  270.218   5.4597   6.3284   5.4597   6.3284   5.4597   6.3284  471.368  270.218  471.368  270.218 -0.000000 0.000000 
1 1 1  -28    0   50 o  517.635  231.844   6.5486   4.0046   6.5486   4.0046   6.5486   4.0046  517.635  231.844  517.635  231.844 -0.000000 0.000000 
1 1 1  -28    0   52 o  1288.47  140.273   27.909   5.4893   27.909   5.4893   27.909   5.4893  1288.47  140.273  1288.47  140.273 -0.000000 0.000000 
1 1 1  -28    0   54 o  1803.76  127.933   53.551   7.1422   53.551   7.1422   53.551   7.1422  1803.76  127.933  1803.76  127.933 -0.000000 0.000000 
1 1 1  -28    0   56 o  774.206  216.410   12.133   4.5396   12.133   4.5396   12.133   4.5396  774.206  216.410  774.206  216.410 -0.000000 0.000000 
1 1 1  -28    0   58 o  1194.83  146.022   24.502   5.2449   24.502   5.2449   24.502   5.2449  1194.83  146.022  1194.83  146.022 -0.000000 0.000000 
1 1 1  -28    1    1 o  439.367  140.771   3.0943   2.1919   4.5508   2.7746   0.6763   3.5751  522.514  156.956  400.439  168.266 122.0753 230.1050 
1 1 1  -28    1    3 o  841.684   96.437   11.440   2.4957   9.3412   3.5940   13.394   3.4684  740.612  159.678  902.564  126.174 -161.9515 203.5121 
1 1 1  -28    1    5 o  994.270   86.549   15.833   2.6677   14.823   3.7224   16.900   3.8250  949.004  128.576  1016.41  122.664 -67.40924 177.7031 
1 1 1  -28    1    7 o  500.342  130.736   4.2101   2.0709   3.4792   3.1203   4.7855   2.7685  478.973  168.116  533.086  155.953 -54.11313 229.3132 
1 1 1  -28    1    9 o  670.743  112.880   7.4200   2.2866   4.1568   3.2300   10.698   3.2375  509.774  171.304  801.609  133.689 -291.8349 217.2965 
1 1 1  -28    1   11 o  2117.12   96.941   71.647   6.4264   70.790   7.8578   73.379   11.168  2089.56  120.608  2091.19  172.079 -1.628906 210.1366 
1 1 1  -28    1   13 o  1512.69   96.256   36.720   4.5356   33.903   7.9224   38.094   5.5318  1409.08  183.946  1532.45  116.146 -123.3699 217.5456 
1 1 1  -28    1   15 o  870.735   97.414   12.273   2.6105   10.978   3.7060   13.548   3.6776  804.296  152.741  902.914  134.156 -98.61774 203.2921 
1 1 1  -28    1   17 o  1780.51   80.710   50.401   4.4998   48.196   6.3611   52.609   6.3662  1722.32  118.675  1802.59  113.367 -80.26343 164.1211 
1 1 1  -28    1   19 o  787.130  106.675   10.130   2.5615   11.758   3.7833   8.7529   3.4806  833.284  150.537  713.469  159.771 119.8151 219.5181 
1 1 1  -28    1   21 o  1770.16   81.937   49.856   4.5416   48.178   6.4606   51.496   6.3856  1720.32  120.699  1781.88  115.063 -61.56360 166.7562 
1 1 1  -28    1   23 o  2356.41   86.008   88.513   6.3461   90.150   9.0223   86.910   8.9279  2353.52  122.854  2310.00  123.881 43.52246 174.4698 
1 1 1  -28    1   25 o  2125.67   83.212   71.983   5.5386   69.980   7.8470   73.971   7.8187  2072.68  121.437  2133.77  117.475 -61.09033 168.9596 
1 1 1  -28    1   27 o  514.120  136.304   4.4951   2.2299   4.8578   3.1718   4.1406   3.1356  536.330  169.073  504.125  168.786 32.20490 238.9021 
1 1 1  -28    1   29 o  2342.30   86.135   87.705   6.3174   89.885   8.9390   85.530   8.9293  2344.10  122.208  2283.94  125.338 60.16577 175.0552 
1 1 1  -28    1   31 o  605.776  131.264   6.2599   2.4179   6.3131   3.3480   6.2019   3.4958  599.117  170.376  593.835  175.678 5.281738 244.7262 
1 1 1  -28    1   33 o  2548.16  103.358  105.415   8.2469   99.886   14.250  108.200   10.112  2371.89  193.553  2559.32  126.187 -187.4351 231.0538 
1 1 1  -28    1   35 o  1250.53   89.039   25.343   3.4637   17.492   4.8215   33.716   4.9793  1000.68  159.208  1429.65  112.129 -428.9699 194.7304 
1 1 1  -28    1   37 o  475.970  145.684   3.9280   2.3744   0.9670   3.5848   6.2425   3.1694  396.097  167.574  588.203  165.249 -192.1057 235.3473 
1 1 1  -28    1   39 o  1492.17   99.802   36.628   4.6362   29.258   8.1272   40.183   5.6448  1227.41  219.523  1549.26  117.228 -321.8555 248.8625 
1 1 1  -28    1   41 o  646.039  153.029   7.6126   3.0480   5.7522   3.7255   11.379   5.3008  553.953  183.939  746.849  215.024 -192.8966 282.9647 
1 1 1  -28    1   43 o  674.394  154.453   8.5274   3.1914   3.3353   4.0831   16.680   5.1165  461.279  185.198  922.637  183.560 -461.3574 260.7543 
1 1 1  -28    1   45 o  971.603  163.765   18.659   4.8051   34.748   7.2779   6.2262   6.3978  1294.90  184.732  527.066  223.474 767.8369 289.9420 
1 1 1  -28    1   47 o  1930.42  140.856   73.429   8.4554   69.382   12.197   77.174   11.732  1549.84  260.574  1750.56  218.816 -200.7148 340.2634 
1 1 1  -28    1   49 o  818.470  151.094   14.635   3.7296   15.439   7.3080   14.352   4.3370  577.448  241.480  751.628  185.422 -174.1808 304.4570 
1 1 1  -28    1   51 o  2164.97  120.248   96.694   8.1196  101.002   14.411   94.691   9.8282  1320.12  344.840  1965.15  161.138 -645.0331 380.6314 
1 1 1  -28    1   53 o  440.438  160.166   6.0805   2.8586   8.3035   3.9852   3.7243   4.1028  449.831  182.131  342.302  159.026 107.5284 241.7873 
1 1 1  -28    1   55 o  629.623  158.725   11.882   3.1284   11.397   4.3109   12.423   4.5470  459.732  188.184  466.947  192.448 -7.215057 269.1639 
1 1 1  -28    1   57 o  319.590  139.849   4.3374   2.6635   3.9664   3.5907   4.7912   3.9715  290.032  138.859  296.091  142.834 -6.059113 199.2067 
1 1 1  -28    2    2 o  1195.57   96.338   22.928   3.5759   26.972   4.5210   16.170   5.8443  1291.81  112.902  963.901  200.180 327.9047 229.8239 
1 1 1  -28    2    4 o  305.596  122.334   0.7866   1.7759   0.6114   2.4548   0.9790   2.5723  339.773  140.838  359.401  146.038 -19.62805 202.8855 
1 1 1  -28    2    6 o  705.982  102.911   8.1305   2.2081   14.747   3.3081   2.8144   2.9653  951.705  113.231  447.306  163.057 504.3987 198.5160 
1 1 1  -28    2    8 f  1103.73   85.904   19.484   2.9455   19.721   4.1686   19.247   4.1626  1098.48  123.324  1084.47  124.863 14.01318 175.4981 
1 1 1  -28    2   10 o  370.455  135.370   1.8631   2.0456   2.3397   2.8726   1.3729   2.9136  424.352  159.426  389.872  156.474 34.48074 223.3849 
1 1 1  -28    2   12 o  1419.91   80.349   32.116   3.5577   34.526   5.0858   29.806   4.9787  1460.83  112.037  1354.05  118.622 106.7848 163.1669 
1 1 1  -28    2   14 o  326.474  129.932   0.9776   1.9918  -3.8736   3.0779   4.4727   2.6125  271.024  129.432  515.608  151.684 -244.5842 199.4007 
1 1 1  -28    2   16 o  1791.02   81.549   50.994   4.5734   58.362   6.4689   43.632   6.4667  1901.84  109.082  1634.61  127.347 267.2362 167.6791 
1 1 1  -28    2   18 o  963.549   92.590   14.956   2.7591   13.412   4.0564   16.286   3.7640  891.698  150.645  995.486  123.399 -103.7877 194.7338 
1 1 1  -28    2   20 o  795.953  104.796   10.337   2.5484   6.3451   3.7384   13.801   3.4830  607.082  182.148  914.676  124.871 -307.5941 220.8415 
1 1 1  -28    2   22 f  1407.02   82.335   31.600   3.6116   27.542   5.1195   35.621   5.0958  1295.67  127.854  1483.08  110.525 -187.4110 169.0043 
1 1 1  -28    2   24 o  2378.60   85.592   90.172   6.3749   92.071   9.0343   88.289   8.9968  2379.40  121.664  2328.35  123.847 51.05542 173.6097 
1 1 1  -28    2   26 f  906.974   97.769   13.333   2.7327   9.8608   3.8970   16.693   3.8330  753.392  169.318  1006.23  124.296 -252.8425 210.0430 
1 1 1  -28    2   28 o  2073.56   83.562   68.591   5.4255   67.887   7.7266   69.276   7.6203  2038.65  121.592  2061.57  118.546 -22.92102 169.8173 
1 1 1  -28    2   30 f  1343.88   87.741   29.030   3.6719   31.321   5.2761   26.878   5.1134  1379.01  123.495  1273.29  130.078 105.7131 179.3636 
1 1 1  -28    2   32 o  2082.21   98.690   70.038   6.4345   63.092   7.8094   84.722   11.355  1951.96  128.488  2225.99  164.064 -274.0216 208.3895 
1 1 1  -28    2   34 o  2510.37  102.663  102.430   8.0699  110.577   14.159   98.511   9.8211  2507.87  181.539  2432.93  129.383 74.94678 222.9267 
1 1 1  -28    2   36 o  271.417  121.938  -0.7784   2.1608  -0.2633   3.2581  -1.1829   2.8871  349.746  153.817  307.100  139.178 42.64517 207.4368 
1 1 1  -28    2   38 o  2127.90   98.190   73.910   6.5424   78.302   11.597   71.859   7.9235  2088.86  179.042  2071.70  122.690 17.15601 217.0462 
1 1 1  -28    2   40 o  2428.13  103.025   97.219   7.8330   98.395   9.6611   94.963   13.382  2406.40  128.682  2261.23  190.776 145.1765 230.1188 
1 1 1  -28    2   42 o  2258.37  103.106   85.027   7.2912   81.495   9.0097   91.730   12.412  2163.91  133.624  2206.36  181.255 -42.45117 225.1857 
1 1 1  -28    2   44 o  1091.06  118.751   20.910   3.9915   22.153   4.9356   18.562   6.7859  1092.08  148.157  883.802  239.319 208.2803 281.4680 
1 1 1  -28    2   46 o  1708.08  101.797   51.056   5.4198   45.857   9.1132   53.901   6.7416  1393.24  215.878  1706.22  127.097 -312.9799 250.5134 
1 1 1  -28    2   48 o  299.724  133.953   0.4394   2.5717  -2.6067   4.0939   2.4250   3.3053  299.003  144.431  372.420  159.341 -73.41772 215.0576 
1 1 1  -28    2   50 o  1638.05  107.314   51.473   5.4739   44.865   9.1826   55.116   6.8176  1073.45  272.663  1606.79  136.808 -533.3354 305.0595 
1 1 1  -28    2   52 o  1190.34  119.697   30.028   4.4009   36.332   7.6453   26.904   5.3820  911.115  256.894  979.497  182.185 -68.38232 314.9379 
1 1 1  -28    2   54 o  979.790  113.311   20.987   3.4122   20.092   4.6779   22.005   4.9882  755.672  196.026  773.398  203.302 -17.72626 282.4144 
1 1 1  -28    2   56 o  1383.38  101.526   41.978   4.3671   42.375   6.0993   41.560   6.2557  1093.87  184.647  1031.56  200.895 62.31311 272.8615 
1 1 1  -28    2   58 f  1294.58  140.518   51.488   5.6047   42.230   9.4990   56.432   6.9418  365.900  184.021  1058.09  216.810 -692.1910 284.3768 
1 1 1  -28    3    1 o  1159.02   84.016   21.418   3.0284   25.679   4.2554   17.046   4.3106  1262.35  108.718  1016.74  139.043 245.6170 176.5011 
1 1 1  -28    3    3 o  721.537  108.723   8.5100   2.3801   7.8765   3.4175   9.1067   3.3168  679.167  162.816  734.919  149.226 -55.75189 220.8564 
1 1 1  -28    3    5 o  743.112  107.445   9.0133   2.4275   4.0384   3.4127   14.109   3.4537  510.026  175.995  928.468  121.730 -418.4423 213.9917 
1 1 1  -28    3    7 f  619.757  119.090   6.3798   2.2271   6.3778   3.1452   6.3818   3.1540  611.090  161.815  611.250  162.130 -0.1597290 229.0640 
1 1 1  -28    3    9 o  325.243  129.384   0.9616   1.9742  -0.0905   2.7432   2.0919   2.8434  333.790  144.021  413.841  157.881 -80.05130 213.7020 
1 1 1  -28    3   11 o  1292.06   82.140   26.617   3.3059   29.147   4.6255   23.975   4.7266  1342.58  111.025  1210.97  126.521 131.6112 168.3275 
1 1 1  -28    3   13 o  2281.37   83.430   82.725   5.9598   88.400   8.5161   77.277   8.3435  2341.93  116.131  2183.03  122.555 158.8984 168.8377 
1 1 1  -28    3   15 o  680.754  109.852   7.6222   2.2619   8.0794   3.1997   7.1655   3.1979  688.531  152.439  646.369  159.079 42.16248 220.3266 
1 1 1  -28    3   17 o  3283.93   97.347  172.464   10.010  189.216   14.258  156.181   14.057  3408.23  133.602  3085.31  145.501 322.9182 197.5350 
1 1 1  -28    3   19 o  707.884  114.049   8.2624   2.4421   10.911   3.5631   5.9158   3.3536  804.340  146.887  587.884  171.546 216.4554 225.8404 
1 1 1  -28    3   21 o  731.663  114.998   8.8244   2.5477   11.433   3.6412   6.3226   3.5660  823.758  146.536  606.210  176.894 217.5482 229.7046 
1 1 1  -28    3   23 o  824.655  105.848   11.092   2.6701   15.059   3.7901   7.1820   3.7623  954.105  130.267  642.810  179.850 311.2955 222.0705 
1 1 1  -28    3   25 o  1850.80   81.319   54.499   4.7127   57.884   6.7386   51.258   6.5932  1889.60  114.430  1775.12  119.311 114.4807 165.3155 
1 1 1  -28    3   27 o  1376.61   83.965   30.315   3.6020   28.286   5.1307   32.288   5.0581  1312.00  126.455  1407.65  115.784 -95.65137 171.4544 
1 1 1  -28    3   29 o  2618.77   89.794  109.780   7.3631  110.226   10.434  109.338   10.392  2594.45  128.441  2583.98  128.434 10.46509 181.6382 
1 1 1  -28    3   31 o  2154.37   98.039   74.811   6.6136   75.591   8.1602   73.317   11.290  2145.85  121.949  2062.13  176.552 83.72192 214.5747 
1 1 1  -28    3   33 o  1349.79   87.010   29.370   3.6579   26.084   5.3099   32.339   5.0463  1244.55  138.610  1401.30  116.051 -156.7484 180.7776 
1 1 1  -28    3   35 o  445.023  153.001   3.2070   2.5780   5.7913   5.7025   2.5431   2.8902  591.211  224.057  424.675  159.843 166.5361 275.2294 
1 1 1  -28    3   37 o  1991.41  120.768   66.040   7.4950   64.146   10.673   67.883   10.528  1892.52  182.363  1958.69  173.446 -66.17334 251.6739 
1 1 1  -28    3   39 o  631.469  157.849   7.2044   3.1126   2.1821   3.9080   15.918   5.1475  439.916  179.520  928.081  183.633 -488.1656 256.8048 
1 1 1  -28    3   41 o  1903.20   99.794   59.935   5.9264   51.451   7.2849   76.537   10.191  1723.79  136.072  2069.71  158.447 -345.9191 208.8564 
1 1 1  -28    3   43 o  791.987  148.369   11.540   3.5442   11.694   4.2735   11.201   6.3432  770.111  180.385  692.574  239.889 77.53699 300.1428 
1 1 1  -28    3   45 o  2870.52   98.098  140.926   8.8174  138.369   12.451  143.498   12.488  2701.46  147.754  2759.92  145.016 -58.45947 207.0282 
1 1 1  -28    3   47 o  971.800  126.365   17.977   3.7542   19.434   6.2648   17.160   4.6896  835.231  231.513  880.403  176.260 -45.17163 290.9739 
1 1 1  -28    3   49 o  663.358  163.532   10.286   3.3752   14.407   5.7127   8.0756   4.1834  639.080  227.160  521.828  193.107 117.2515 298.1474 
1 1 1  -28    3   51 o  1461.43  110.697   42.442   5.0280   38.771   8.4163   44.478   6.2698  938.890  271.127  1394.47  145.744 -455.5844 307.8167 
1 1 1  -28    3   53 o  2453.93  133.624  140.529   10.229  116.621   17.651  152.616   12.551  676.928  319.353  2301.37  175.493 -1624.442 364.3960 
1 1 1  -28    3   55 o  324.410  144.214   3.6017   2.9391   8.7771   5.1613   1.1182   3.5754  366.796  172.935  277.697  134.348 89.09897 218.9887 
1 1 1  -28    3   57 o  1353.01  129.119   49.286   5.4039   46.728   9.2205   50.625   6.6693  469.822  224.274  1101.92  200.686 -632.1018 300.9546 
1 1 1  -28    4    2 o  675.045  111.965   7.4779   2.2837   5.3834   3.3658   9.2647   3.1088  567.818  173.390  745.518  138.264 -177.6995 221.7674 
1 1 1  -28    4    4 o  427.767  131.844   2.9681   1.9409   1.0713   3.0216   4.3004   2.5324  386.166  157.751  508.235  149.289 -122.0692 217.1924 
1 1 1  -28    4    6 o  277.800  121.082  -0.2925   1.9791  -0.4734   3.8930  -0.2295   2.2982  386.579  169.120  302.124  131.087 84.45529 213.9756 
1 1 1  -28    4    8 o  1260.14   82.415   25.300   3.2340   23.248   4.6085   27.290   4.5395  1194.25  125.096  1299.47  112.679 -105.2213 168.3616 
1 1 1  -28    4   10 o  313.355  125.578   0.8236   1.8736   0.3427   2.7308   1.2512   2.5753  346.584  146.423  369.628  147.543 -23.04379 207.8665 
1 1 1  -28    4   12 o  519.940  134.858   4.5530   2.2142   5.9310   3.3266   3.4569   2.9668  590.190  170.463  474.564  164.078 115.6262 236.5992 
1 1 1  -28    4   14 o  1007.71   90.812   16.300   2.8347   12.820   4.1114   19.453   3.9137  871.235  156.458  1093.58  116.066 -222.3455 194.8085 
1 1 1  -28    4   16 o  2877.15   91.288  131.928   8.2242  124.482   11.642  139.345   11.620  2766.44  134.397  2933.21  126.511 -166.7681 184.5737 
1 1 1  -28    4   18 o  2200.21   84.220   76.961   5.8023   73.572   8.2601   80.261   8.1522  2128.90  124.453  2228.25  117.253 -99.35352 170.9884 
1 1 1  -28    4   20 o  2132.77   82.384   72.280   5.5018   73.693   7.8815   70.937   7.6837  2133.86  118.422  2093.90  117.669 39.96338 166.9429 
1 1 1  -28    4   22 o  1916.83   81.772   58.392   4.9080   59.630   7.0503   57.228   6.8367  1918.46  117.935  1879.94  116.718 38.52112 165.9271 
1 1 1  -28    4   24 o  1075.99   90.777   18.598   3.0299   18.673   4.4121   18.530   4.1681  1062.03  135.785  1061.05  128.044 0.9758301 186.6353 
1 1 1  -28    4   26 o  2236.64   85.654   79.730   5.9988   72.667   8.5403   86.609   8.4279  2107.61  130.044  2310.97  116.847 -203.3613 174.8279 
1 1 1  -28    4   28 f  2031.01   82.615   65.741   5.2540   67.742   7.5085   63.821   7.3544  2040.03  118.049  1979.18  119.228 60.85193 167.7817 
1 1 1  -28    4   30 o  2521.88  102.541  102.589   8.0973  111.733   10.006   85.235   13.784  2615.79  122.159  2201.05  202.264 414.7437 236.2910 
1 1 1  -28    4   32 o  1219.97   89.542   24.014   3.3966   26.531   5.0515   21.938   4.5889  1262.87  129.581  1147.09  130.058 115.7805 183.5930 
1 1 1  -28    4   34 o  1568.91   84.030   39.599   4.1131   36.895   5.9736   42.037   5.6717  1487.14  129.578  1598.90  114.033 -111.7632 172.6089 
1 1 1  -28    4   36 o  2321.11  123.057   89.508   8.9117  104.931   13.044   76.006   12.204  2449.36  171.150  2056.28  191.756 393.0818 257.0265 
1 1 1  -28    4   38 o  472.311  161.161   3.7542   2.8592   6.7333   3.6289  -1.1231   4.6432  606.156  178.898  392.529  177.322 213.6271 251.8878 
1 1 1  -28    4   40 o  2631.87  106.535  114.553   8.7796  118.147   10.886  107.866   14.850  2632.32  132.498  2394.57  199.875 237.7583 239.8030 
1 1 1  -28    4   42 o  2417.04  105.875   97.774   8.0130  101.353   9.8013   90.560   13.914  2419.47  129.848  2127.04  211.731 292.4346 248.3757 
1 1 1  -28    4   44 o  905.726  109.510   14.257   3.0427   14.308   4.3147   14.207   4.2914  854.983  167.156  852.250  166.784 2.733154 236.1314 
1 1 1  -28    4   46 o  3380.52  109.844  203.474   11.627  202.636   16.479  204.305   16.408  3124.67  169.058  3146.12  167.154 -21.45142 237.7411 
1 1 1  -28    4   48 o  2556.58  118.362  123.978   9.4752  135.390   16.348  118.205   11.627  2113.81  251.948  2332.84  160.148 -219.0227 298.5382 
1 1 1  -28    4   50 o  2045.96  111.828   81.436   7.1370   81.684   12.022   81.301   8.8691  1518.26  262.363  1902.97  150.061 -384.7100 302.2462 
1 1 1  -28    4   52 o  3145.65  165.012  257.510   16.197  244.029   27.929  264.341   19.881  716.863  352.877  2644.44  242.810 -1927.580 428.3444 
1 1 1  -28    4   54 o  1060.08  197.736   37.636   6.3222   0.0000   0.0000   37.636   6.3222  ?   ?   1060.08  197.736 0.000000 197.7364 
1 1 1  -28    4   56 o  498.125  191.743   13.427   4.2177   18.259   5.7310   7.7184   6.2298  459.605  202.984  317.237  157.973 142.3683 257.2122 
1 1 1  -28    4   58 o  1312.88  144.973   54.259   5.8604   49.803   9.5762   56.927   7.4099  408.922  202.283  925.343  249.878 -516.4208 321.4925 
1 1 1  -28    5    1 o  1512.72   80.492   36.323   3.7989   41.809   5.5676   31.544   5.1965  1613.68  110.861  1397.56  119.909 216.1154 163.3043 
1 1 1  -28    5    3 f  216.572  103.010  -2.3642   1.9090  -1.9048   2.6306  -2.8753   2.7746  280.545  129.276  270.175  127.203 10.36923 181.3643 
1 1 1  -28    5    5 f  1189.65   83.401   22.542   3.0871   23.147   4.5500   22.026   4.2024  1193.71  123.516  1166.48  116.618 27.22913 169.8704 
1 1 1  -28    5    7 o  1506.42   78.158   36.026   3.6740   37.949   5.3296   34.284   5.0716  1535.41  111.619  1458.92  111.872 76.49609 158.0316 
1 1 1  -28    5    9 o  474.023  131.150   3.7458   2.0124   4.1172   3.0397   3.4561   2.6851  506.371  166.054  468.699  156.182 37.67221 227.9623 
1 1 1  -28    5   11 o  934.315   91.188   14.013   2.6338   13.859   3.9883   14.133   3.5073  912.714  144.352  928.966  123.647 -16.25195 190.0684 
1 1 1  -28    5   13 o  780.372  105.655   9.9096   2.5153   9.8902   3.7993   9.9247   3.3562  761.564  164.160  769.160  144.662 -7.596252 218.8047 
1 1 1  -28    5   15 o  1180.65   85.760   22.258   3.1488   25.062   4.5315   19.641   4.3786  1242.83  117.852  1094.57  130.315 148.2614 175.7020 
1 1 1  -28    5   17 o  839.591  101.897   11.424   2.6239   17.578   3.7223   5.3450   3.6995  1039.38  116.368  568.016  182.976 471.3603 216.8447 
1 1 1  -28    5   19 o  823.621  101.956   11.003   2.5732   12.215   4.0256   10.165   3.3460  850.129  157.011  778.729  142.474 71.39954 212.0169 
1 1 1  -28    5   21 o  1548.82   80.963   38.181   3.9129   41.934   5.7946   35.035   5.3050  1609.97  115.716  1470.73  116.141 139.2393 163.9478 
1 1 1  -28    5   23 o  492.629  135.716   4.0795   2.1603   4.6801   3.6289   3.7498   2.6887  538.532  181.572  481.099  156.095 57.43372 239.4449 
1 1 1  -28    5   25 o  595.706  128.066   5.9694   2.3178   4.1326   3.3923   7.5777   3.1742  511.004  175.518  665.065  155.249 -154.0617 234.3257 
1 1 1  -28    5   27 o  1033.03   93.805   17.202   3.0012   17.355   4.3731   17.065   4.1263  1020.06  140.656  1014.54  133.101 5.524536 193.6490 
1 1 1  -28    5   29 f  2479.25  126.730  100.632   9.8054  105.707   14.147   95.940   13.602  2483.30  183.235  2363.02  185.323 120.2771 260.6141 
1 1 1  -28    5   31 o  1835.97   82.609   53.846   4.7491   52.097   6.8501   55.465   6.5900  1780.38  123.642  1843.27  114.747 -62.88989 168.6834 
1 1 1  -28    5   33 o  1391.94  100.388   31.481   4.3460   28.683   5.4852   36.201   7.1235  1308.77  135.826  1455.03  158.936 -146.2678 209.0677 
1 1 1  -28    5   35 o  1565.69  100.602   39.926   4.9060   41.045   6.1685   38.000   8.0933  1570.18  126.535  1467.48  179.898 102.7043 219.9420 
1 1 1  -28    5   37 o  1071.82  143.899   19.714   4.7075   21.380   7.1492   18.438   6.2548  1056.51  223.105  991.023  208.184 65.48199 305.1502 
1 1 1  -28    5   39 o  1716.24  101.103   48.389   5.4092   52.390   6.8016   41.503   8.9226  1765.65  123.808  1498.58  194.752 267.0730 230.7744 
1 1 1  -28    5   41 o  1581.82   89.842   41.026   4.4316   40.215   6.3915   41.778   6.1499  1523.49  135.393  1562.08  126.828 -38.58630 185.5176 
1 1 1  -28    5   43 o  3189.64  121.113  176.209   12.096  188.144   14.855  152.724   20.838  3222.84  147.205  2544.78  265.419 678.0654 303.5075 
1 1 1  -28    5   45 o  1594.22   89.545   43.051   4.4519   40.075   6.3993   45.842   6.1973  1458.01  141.971  1588.81  125.595 -130.7939 189.5518 
1 1 1  -28    5   47 o  1833.88   90.784   58.410   5.2131   59.926   7.3420   56.869   7.4033  1755.04  134.628  1694.39  140.814 60.64819 194.8159 
1 1 1  -28    5   49 o  320.920  143.199   1.0793   2.9265  -3.0832   4.8069   3.5310   3.6890  306.343  149.893  394.395  168.529 -88.05151 225.5438 
1 1 1  -28    5   51 o  390.956  172.811   4.5683   4.1624   0.0000   0.0000   4.5683   4.1624  ?   ?   390.956  172.811 0.000000 172.8112 
1 1 1  -28    5   53 o  439.558  185.991   8.5333   4.4171   0.0000   0.0000   8.5333   4.4171  ?   ?   439.558  185.991 0.000000 185.9910 
1 1 1  -28    5   55 o  904.035  219.148   33.657   6.1390   0.0000   0.0000   33.657   6.1390  ?   ?   904.035  219.148 0.000000 219.1476 
1 1 1  -28    5   57 o  899.294  127.448   21.261   3.4884   20.254   4.6923   22.504   5.2157  601.883  206.446  575.356  215.084 26.52686 298.1292 
1 1 1  -28    6    2 o  900.285   96.952   13.026   2.6900   10.506   4.0050   15.098   3.6308  787.698  167.533  962.869  123.256 -175.1708 207.9882 
1 1 1  -28    6    4 o  872.337  109.706   12.332   2.9303   11.707   3.7370   13.328   4.7220  838.495  147.729  886.212  176.368 -47.71765 230.0643 
1 1 1  -28    6    6 o  495.953  130.649   4.1053   2.0572   2.1988   3.4000   5.2064   2.5838  442.170  171.608  556.495  146.335 -114.3248 225.5285 
1 1 1  -28    6    8 o  1583.68   77.816   39.684   3.8588   39.532   5.5077   39.830   5.4080  1567.78  112.950  1574.64  110.381 -6.858887 157.9292 
1 1 1  -28    6   10 o  950.205   90.534   14.467   2.6611   13.620   3.8242   15.263   3.7053  907.795  138.957  966.443  125.399 -58.64752 187.1735 
1 1 1  -28    6   12 o  1128.44   87.351   20.331   3.0624   20.348   4.4008   20.314   4.2643  1116.71  128.180  1117.20  123.989 -0.4954834 178.3353 
1 1 1  -28    6   14 o  1031.80   88.689   17.031   2.8375   20.760   4.1691   13.813   3.8730  1130.75  119.563  913.448  139.863 217.2991 184.0021 
1 1 1  -28    6   16 o  855.789  101.104   11.841   2.6569   11.382   4.0917   12.176   3.4937  818.650  165.314  858.023  134.457 -39.37347 213.0897 
1 1 1  -28    6   18 o  490.016  132.025   4.0185   2.0713   4.5845   3.3753   3.6766   2.6234  532.414  174.999  477.828  154.100 54.58612 233.1774 
1 1 1  -28    6   20 o  1702.39   80.399   45.960   4.2858   52.343   6.2100   40.155   5.9222  1803.46  110.501  1574.36  121.061 229.0979 163.9094 
1 1 1  -28    6   22 o  2049.21   82.465   66.671   5.2914   62.371   7.6045   70.707   7.3675  1961.13  124.481  2094.94  112.729 -133.8087 167.9384 
1 1 1  -28    6   24 o  1061.17   88.748   18.050   2.9218   19.924   4.3897   16.559   3.9151  1101.37  129.778  1003.72  127.441 97.64618 181.8889 
1 1 1  -28    6   26 o  2223.94   85.485   78.748   5.9529   75.965   8.5041   81.421   8.3358  2159.82  126.295  2240.93  119.225 -81.10986 173.6809 
1 1 1  -28    6   28 o  1871.60   95.882   56.251   5.6002   58.413   6.9350   52.200   9.4946  1895.58  117.418  1752.43  175.385 143.1521 211.0611 
1 1 1  -28    6   30 o  1902.15   83.592   57.746   4.9789   57.794   7.1347   57.701   6.9512  1879.48  121.891  1880.05  118.689 -0.5732422 170.1305 
1 1 1  -28    6   32 o  1883.77   97.603   57.310   5.7374   52.407   7.1093   66.466   9.7158  1781.48  128.306  1981.60  157.893 -200.1185 203.4524 
1 1 1  -28    6   34 f  1500.16  100.254   36.565   4.6822   37.613   5.8737   34.737   7.7548  1506.23  125.686  1407.43  180.096 98.80798 219.6163 
1 1 1  -28    6   36 o  1973.04   98.327   63.111   6.0747   62.712   7.5249   63.857   10.293  1943.74  124.287  1910.97  173.924 32.77271 213.7680 
1 1 1  -28    6   38 o  1660.00   85.603   44.555   4.4344   43.084   6.4542   45.871   6.1029  1599.79  129.966  1660.98  118.113 -61.19116 175.6187 
1 1 1  -28    6   40 f  3374.02  103.433  187.671   10.928  188.340   15.501  187.011   15.408  3288.84  150.518  3278.12  150.103 10.72046 212.5719 
1 1 1  -28    6   42 o  900.224  116.983   13.957   3.2196   18.937   4.7119   9.5964   4.4095  1020.89  152.041  688.991  195.390 331.8995 247.5762 
1 1 1  -28    6   44 o  1269.69  113.835   28.225   4.4777   26.489   5.4880   31.680   7.7443  1184.09  151.492  1203.55  213.302 -19.46729 261.6247 
1 1 1  -28    6   46 f  2277.44   94.068   89.591   6.7082   84.917   9.5503   94.143   9.4245  2077.56  147.770  2221.98  136.113 -144.4246 200.9047 
1 1 1  -28    6   48 o  2192.85  146.811   99.859   10.022   0.0000   0.0000   99.859   10.022  ?   ?   2192.85  146.811 0.000000 146.8109 
1 1 1  -28    6   50 o  2154.33  158.233  107.297   10.599   0.0000   0.0000  107.297   10.599  ?   ?   2154.33  158.233 0.000000 158.2326 
1 1 1  -28    6   52 o  621.002  208.828   14.420   4.8001   0.0000   0.0000   14.420   4.8001  ?   ?   621.002  208.828 0.000000 208.8280 
1 1 1  -28    6   54 o  1245.88  128.283   36.132   4.9330   33.314   8.0425   37.832   6.2458  638.927  258.720  1094.10  189.156 -455.1703 320.4941 
1 1 1  -28    6   56 o  1902.84  139.796   98.055   8.2711   87.404   14.009  103.755   10.248  505.386  248.998  1599.08  209.722 -1093.693 325.5509 
1 1 1  -28    7    1 o  1652.26   80.023   43.162   4.1401   46.051   5.9411   40.434   5.7724  1695.09  112.574  1586.39  117.033 108.7017 162.3873 
1 1 1  -28    7    3 o  1012.97   90.498   16.394   2.8403   16.328   4.1266   16.453   3.9152  998.772  135.444  1005.20  127.239 -6.423767 185.8359 
1 1 1  -28    7    5 o  391.428  139.903   2.1454   2.1697   0.3072   3.0529   4.0216   3.0843  365.219  154.585  505.159  167.345 -139.9403 227.8176 
1 1 1  -28    7    7 o  1309.94   83.742   27.276   3.4169   25.033   4.9887   29.257   4.6896  1241.38  130.284  1349.08  112.030 -107.6989 171.8272 
1 1 1  -28    7    9 o  904.968   92.619   13.133   2.5875   16.252   3.9915   10.871   3.3984  997.065  131.020  810.127  138.971 186.9379 190.9945 
1 1 1  -28    7   11 o  1689.69   81.014   45.194   4.2863   48.637   6.3425   42.298   5.8154  1738.90  117.167  1621.83  115.264 117.0714 164.3587 
1 1 1  -28    7   13 o  815.524   99.996   10.741   2.5000   12.281   3.7366   9.4927   3.3637  860.138  143.816  752.745  147.987 107.3926 206.3569 
1 1 1  -28    7   15 f  1129.07   84.257   20.316   2.9574   19.635   4.3349   20.909   4.0449  1097.20  128.618  1137.01  115.201 -39.81458 172.6670 
1 1 1  -28    7   17 o  1899.83   80.042   57.163   4.7616   62.879   6.8904   51.939   6.5877  1978.95  111.653  1795.44  117.831 183.5100 162.3283 
1 1 1  -28    7   19 o  1230.80   84.138   24.137   3.2232   25.742   4.6709   22.678   4.4534  1260.31  119.802  1181.46  122.143 78.84265 171.0887 
1 1 1  -28    7   21 o  1055.66   89.415   17.838   2.9279   19.602   4.2434   16.235   4.0450  1095.72  125.971  993.419  133.409 102.3024 183.4850 
1 1 1  -28    7   23 o  368.355  134.852   1.8237   2.0313  -1.0745   3.5859   3.1931   2.4649  356.260  158.774  450.281  149.622 -94.02081 218.1651 
1 1 1  -28    7   25 o  1019.60   93.661   16.717   2.9568   14.001   4.3594   19.032   4.0239  909.896  158.784  1079.35  121.153 -169.4507 199.7262 
1 1 1  -28    7   27 o  1338.69   99.910   28.865   4.1578   27.828   5.0944   30.936   7.1956  1303.43  126.410  1349.40  174.377 -45.96497 215.3759 
1 1 1  -28    7   29 o  812.668  128.969   11.011   3.1722   9.7572   4.1173   12.842   4.9761  745.738  178.667  852.102  191.202 -106.3638 261.6869 
1 1 1  -28    7   31 o  2112.80   97.136   71.752   6.4262   73.865   8.0363   68.004   10.702  2125.34  121.259  1995.88  172.952 129.4648 211.2253 
1 1 1  -28    7   33 o  2991.09  110.315  145.344   10.332  149.275   12.729  137.753   17.690  3003.88  135.327  2787.38  204.099 216.5024 244.8874 
1 1 1  -28    7   35 o  804.353  129.715   10.925   3.1559   16.508   6.3220   9.0717   3.6422  938.618  219.093  716.240  165.692 222.3778 274.6922 
1 1 1  -28    7   37 o  3827.32  110.819  239.991   13.281  240.841   18.839  239.152   18.725  3743.52  160.721  3731.30  160.266 12.21558 226.9720 
1 1 1  -28    7   39 o  655.091  140.208   7.5339   2.7891   8.0253   3.9746   7.0570   3.9150  655.390  185.379  615.878  186.766 39.51105 263.1474 
1 1 1  -28    7   41 o  1360.49   88.521   30.376   3.7505   33.422   5.5330   27.786   5.1013  1393.27  128.267  1267.75  130.366 125.5149 182.8870 
1 1 1  -28    7   43 f  1746.81   90.386   50.878   4.9269   47.626   7.0767   53.937   6.8636  1621.67  140.761  1749.32  126.151 -127.6522 189.0175 
1 1 1  -28    7   45 o  721.136  163.767   10.616   3.6136   8.4736   4.3998   15.057   6.3344  599.491  199.933  745.530  239.352 -146.0388 311.8698 
1 1 1  -28    7   47 o  1755.35  109.010   56.026   5.9620   55.860   10.526   56.104   7.2345  1413.03  246.877  1688.13  138.071 -275.0991 282.8641 
1 1 1  -28    7   49 o  1500.85  150.114   48.675   6.9600   0.0000   0.0000   48.675   6.9600  ?   ?   1500.85  150.114 0.000000 150.1139 
1 1 1  -28    7   51 o  2611.24  199.973  196.220   16.226   0.0000   0.0000  196.220   16.226  ?   ?   2611.24  199.973 0.000000 199.9731 
1 1 1  -28    7   53 o  2450.59  130.474  135.989   9.9757  114.395   16.960  147.412   12.335  784.661  347.733  2305.09  172.143 -1520.428 388.0092 
1 1 1  -28    7   55 f  2265.67  136.280  129.338   9.6233  102.174   16.244  144.028   11.945  537.697  265.517  2091.58  184.273 -1553.879 323.1964 
1 1 1  -28    8    2 o  292.533  123.350   0.1850   1.9320   1.1041   3.0236  -0.4491   2.5116  389.416  158.294  310.888  135.928 78.52789 208.6464 
1 1 1  -28    8    4 o  365.526  134.453   1.7372   2.0227   2.0746   3.1351   1.4966   2.6474  428.462  165.204  384.893  150.859 43.56955 223.7206 
1 1 1  -28    8    6 o  727.241  124.089   8.6908   2.7243   12.330   3.5394   3.3993   4.2675  866.345  134.859  514.419  194.098 351.9261 236.3493 
1 1 1  -28    8    8 o  622.867  114.280   6.3787   2.1467   9.6402   3.2799   3.9345   2.8394  761.592  142.785  496.645  160.333 264.9476 214.6958 
1 1 1  -28    8   10 o  429.961  132.519   2.9789   1.9608   4.5889   3.3013   2.1014   2.4373  534.299  172.926  400.197  147.532 134.1018 227.3082 
1 1 1  -28    8   12 o  1489.70   82.346   35.222   3.8262   37.026   5.7427   33.782   5.1310  1515.46  122.054  1449.85  113.938 65.60718 166.9703 
1 1 1  -28    8   14 o  869.662   95.197   12.152   2.5500   15.353   3.8716   9.6996   3.3889  968.800  130.983  761.936  147.374 206.8640 197.1695 
1 1 1  -28    8   16 o  357.360  131.633   1.6626   1.9397   5.8211   3.0094  -1.2929   2.5371  587.456  159.498  288.980  130.761 298.4765 206.2473 
1 1 1  -28    8   18 f  2080.49   82.287   68.561   5.3606   68.481   7.6696   68.637   7.4955  2063.01  119.237  2066.72  116.297 -3.714111 166.5605 
1 1 1  -28    8   20 f  1486.29   82.355   35.111   3.8178   32.691   5.4931   37.373   5.3098  1420.20  124.791  1524.02  112.053 -103.8214 167.7159 
1 1 1  -28    8   22 o  3283.20   97.317  171.806   10.005  184.203   14.230  159.690   14.068  3372.31  134.764  3132.99  143.406 239.3193 196.7908 
1 1 1  -28    8   24 o  1841.65   82.949   53.843   4.7834   59.501   6.9507   48.754   6.5929  1920.10  116.155  1734.65  122.160 185.4558 168.5678 
1 1 1  -28    8   26 o  1506.24   85.301   36.198   4.0066   38.492   5.9007   34.236   5.4576  1537.90  123.577  1450.91  121.239 86.99072 173.1194 
1 1 1  -28    8   28 o  1633.24   99.097   42.889   5.0439   42.742   6.3927   43.132   8.2099  1616.79  127.304  1600.83  166.209 15.96045 209.3598 
1 1 1  -28    8   30 o  3476.54  119.826  196.315   13.044  193.576   16.044  201.656   22.405  3417.49  149.926  3391.07  212.070 26.42017 259.7145 
1 1 1  -28    8   32 o  961.541  120.687   15.277   3.5536   14.434   4.6400   16.474   5.5266  912.562  168.591  964.854  189.691 -52.29138 253.7824 
1 1 1  -28    8   34 o  1737.12   95.749   48.721   5.1880   54.617   9.2956   46.053   6.2524  1785.20  168.279  1674.35  120.053 110.8512 206.7137 
1 1 1  -28    8   36 o  1843.31   84.403   54.508   4.8716   57.019   7.0882   52.259   6.7067  1857.32  122.569  1778.92  121.122 78.39819 172.3191 
1 1 1  -28    8   38 f  1969.80   84.750   62.523   5.2274   63.701   7.5023   61.412   7.2876  1954.49  123.217  1920.23  121.834 34.26624 173.2803 
1 1 1  -28    8   40 o  490.898  156.426   4.2840   2.7094   2.9000   3.8650   5.6213   3.7991  456.890  181.261  552.315  185.784 -95.42554 259.5592 
1 1 1  -28    8   42 o  428.352  158.017   3.0885   2.7968   5.4400   4.1019   1.0457   3.8233  530.094  191.999  392.252  169.633 137.8419 256.2017 
1 1 1  -28    8   44 o  426.284  167.669   3.1567   3.2807   1.6677   6.0025   3.7910   3.9176  442.474  200.590  455.175  181.880 -12.70068 270.7703 
1 1 1  -28    8   46 o  541.504  204.669   7.5345   4.7502   12.788   6.5233   1.6035   6.9309  641.190  240.372  429.741  201.927 211.4480 313.9314 
1 1 1  -28    8   48 o  3387.00  219.555  308.340   23.160   0.0000   0.0000  308.340   23.160  ?   ?   3387.00  219.555 0.000000 219.5554 
1 1 1  -28    8   50 o  1618.89  112.427   50.792   5.6638   48.740   9.3801   51.970   7.1052  1176.02  261.494  1528.27  150.426 -352.2465 301.6741 
1 1 1  -28    8   52 o  380.949  159.476   4.0922   3.1921   3.6361   4.8569   4.4391   4.2353  362.388  169.880  378.505  170.320 -16.11694 240.5576 
1 1 1  -28    8   54 o  432.544  173.857   7.2793   3.6027   12.500   5.7449   3.8950   4.6252  445.454  199.565  337.356  160.424 108.0979 256.0510 
1 1 1  -28    8   56 o  2058.44  142.384  115.176   9.1210  101.863   15.508  122.216   11.278  508.059  252.378  1738.80  211.492 -1230.739 329.2776 
1 1 1  -28    9    1 o  377.663  133.643   2.0125   1.9752  -2.4878   2.9604   5.6233   2.6517  290.984  135.152  579.712  146.128 -288.7275 199.0459 
1 1 1  -28    9    3 o  1083.75   87.224   18.698   2.9349   27.060   4.3887   11.934   3.9473  1299.73  108.839  847.130  154.505 452.5998 188.9916 
1 1 1  -28    9    5 o  715.560  106.778   8.3133   2.3192   7.0529   3.5180   9.2821   3.0844  646.527  171.109  749.480  136.457 -102.9526 218.8578 
1 1 1  -28    9    7 o  1471.37   93.945   34.451   4.3057   32.604   5.3464   37.858   7.2632  1423.62  121.086  1522.57  154.487 -98.95032 196.2853 
1 1 1  -28    9    9 o  789.037  100.078   10.038   2.4170   10.177   3.6440   9.9288   3.2297  780.394  154.589  775.065  138.144 5.329102 207.3199 
1 1 1  -28    9   11 o  265.869  118.237  -0.6889   1.9775   2.2971   3.1823  -2.5673   2.5240  438.630  167.102  259.625  121.949 179.0051 206.8684 
1 1 1  -28    9   13 o  1094.73   89.014   19.107   3.0249   14.627   4.5637   22.617   4.0397  936.595  161.444  1186.37  109.996 -249.7755 195.3543 
1 1 1  -28    9   15 o  319.427  126.747   0.9105   1.8901   2.2992   3.2439   0.1967   2.3257  440.606  168.505  319.045  134.975 121.5604 215.8991 
1 1 1  -28    9   17 o  751.519  113.353   9.2128   2.5845   6.0889   3.9692   11.512   3.4053  605.535  188.860  835.773  134.700 -230.2380 231.9747 
1 1 1  -28    9   19 o  809.978  107.550   10.643   2.6603   9.6766   4.0148   11.399   3.5519  753.343  173.746  828.826  141.969 -75.48297 224.3723 
1 1 1  -28    9   21 f  2777.16   90.414  122.503   7.8624  121.833   11.222  123.149   11.019  2748.39  130.401  2765.12  127.264 -16.72998 182.2101 
1 1 1  -28    9   23 o  2601.29   87.655  107.487   7.1398  108.049   10.249  106.957   9.9515  2588.02  126.478  2576.77  123.337 11.24146 176.6598 
1 1 1  -28    9   25 o  661.656  144.091   7.3976   2.9007   6.7002   3.8062   8.3638   4.4801  625.367  182.834  693.252  197.069 -67.88544 268.8207 
1 1 1  -28    9   27 o  300.373  131.776  -0.4358   2.3783  -0.5312   3.1492  -0.3093   3.6282  344.598  151.396  375.750  163.855 -31.15207 223.0901 
1 1 1  -28    9   29 o  1434.94  102.171   33.198   4.5607   31.655   5.8212   35.651   7.3388  1385.76  135.905  1455.42  163.886 -69.66125 212.9054 
1 1 1  -28    9   31 f  879.237  102.771   12.590   2.7760   12.629   4.1577   12.558   3.7289  858.246  160.618  863.255  142.953 -5.008789 215.0202 
1 1 1  -28    9   33 o  529.982  158.344   4.8020   2.8295   0.7385   5.1978   6.5133   3.3731  463.031  199.008  610.401  170.123 -147.3695 261.8123 
1 1 1  -28    9   35 o  1433.53   87.034   33.055   3.8882   37.622   5.6923   29.060   5.3237  1511.24  121.316  1322.04  130.296 189.1953 178.0298 
1 1 1  -28    9   37 o  2514.88   90.447  102.023   7.1224  104.116   10.052   99.913   10.093  2500.27  128.839  2445.18  132.316 55.08716 184.6804 
1 1 1  -28    9   39 o  1913.56  102.373   60.246   6.1118   65.978   10.760   57.516   7.4260  1906.75  182.449  1843.17  129.491 63.57715 223.7305 
1 1 1  -28    9   41 o  1320.51  110.186   29.489   4.5144   41.575   8.0742   23.994   5.4449  1488.55  176.679  1150.11  155.154 338.4373 235.1342 
1 1 1  -28    9   43 o  2141.36  106.109   78.379   7.1148   80.724   12.467   77.246   8.6644  1954.78  206.814  2071.66  134.291 -116.8838 246.5890 
1 1 1  -28    9   45 o  322.963  146.373  -0.1820   3.1938  -9.0785   5.8278   3.6370   3.8183  308.671  153.559  439.287  178.131 -130.6158 235.1830 
1 1 1  -28    9   47 o  977.937  139.998   18.947   4.1646   11.550   7.5261   22.212   4.9999  562.109  240.469  1027.40  160.684 -465.2888 289.2137 
1 1 1  -28    9   49 o  288.468  135.266  -0.7322   3.0829   2.2350   6.0614  -1.7677   3.5807  390.657  185.148  288.786  138.368 101.8717 231.1394 
1 1 1  -28    9   51 o  1077.00  134.562   24.857   4.4389   36.088   7.4601   18.702   5.5230  1050.86  232.842  744.154  220.971 306.7036 321.0036 
1 1 1  -28    9   53 o  1739.59  121.944   65.199   6.6004   54.277   11.079   71.209   8.2181  771.642  306.647  1667.73  159.310 -896.0886 345.5599 
1 1 1  -28    9   55 o  628.275  217.232   19.294   5.2005   0.0000   0.0000   19.294   5.2005  ?   ?   628.275  217.232 0.000000 217.2321 
1 1 1  -28   10    2 o  933.648   94.936   13.948   2.7368   20.598   4.1181   8.6868   3.6627  1130.82  118.043  718.243  166.160 412.5809 203.8211 
1 1 1  -28   10    4 o  961.346   91.474   14.757   2.7204   16.542   4.0774   13.324   3.6520  1008.30  132.342  903.035  133.150 105.2679 187.7318 
1 1 1  -28   10    6 o  982.746   92.315   15.422   2.8075   17.359   4.1246   13.749   3.8322  1033.80  130.313  916.225  137.845 117.5758 189.6911 
1 1 1  -28   10    8 o  1122.59  103.302   20.174   3.5904   21.317   4.5675   18.326   5.8085  1147.25  129.408  1044.86  184.272 102.3866 225.1723 
1 1 1  -28   10   10 o  2334.87   85.413   86.205   6.2446   85.472   8.9132   86.911   8.7514  2309.34  123.712  2330.17  120.353 -20.83496 172.5962 
1 1 1  -28   10   12 o  1872.79   80.748   55.414   4.7352   56.659   6.9293   54.323   6.4859  1880.48  118.282  1843.03  112.933 37.45471 163.5374 
1 1 1  -28   10   14 o  1439.01   84.623   32.865   3.7962   30.368   5.6316   34.945   5.1394  1369.36  133.019  1476.65  111.986 -107.2880 173.8822 
1 1 1  -28   10   16 f  2026.97   82.588   64.984   5.2418   68.293   7.5233   61.862   7.3074  2064.39  116.865  1963.48  119.423 100.9152 167.0906 
1 1 1  -28   10   18 o  397.148  138.421   2.3008   2.1136   0.1867   3.3984   3.6343   2.6991  380.229  162.096  479.322  156.440 -99.09286 225.2747 
1 1 1  -28   10   20 o  963.714   99.165   14.926   2.9497   11.856   4.4823   17.271   3.9176  834.601  177.005  1030.42  123.902 -195.8232 216.0615 
1 1 1  -28   10   22 o  2132.04   95.399   72.315   6.3688   79.348   7.9705   59.895   10.592  2222.61  114.919  1894.74  180.723 327.8760 214.1665 
1 1 1  -28   10   24 o  1749.75   94.877   48.888   5.1788   53.612   6.4797   40.533   8.6167  1824.84  113.970  1553.23  180.537 271.6072 213.5013 
1 1 1  -28   10   26 o  999.326  150.007   16.659   4.5490   16.659   4.5490   0.0000   0.0000  999.326  150.007  ?   ?  0.000000 150.0074 
1 1 1  -28   10   28 o  3123.53   95.948  155.847   9.3843  167.363   13.427  144.849   13.121  3207.00  133.706  2977.42  140.742 229.5781 194.1275 
1 1 1  -28   10   30 o  879.319  103.351   12.569   2.7914   6.2774   4.1612   17.716   3.7638  606.708  193.913  1040.83  117.546 -434.1202 226.7586 
1 1 1  -28   10   32 o  888.929  122.436   13.059   3.3175   9.2481   6.0191   14.721   3.9759  717.643  233.587  937.723  139.672 -220.0795 272.1601 
1 1 1  -28   10   34 o  2607.50   90.392  108.961   7.3802  113.727   10.569  104.425   10.310  2633.40  128.180  2517.81  131.225 115.5925 183.4395 
1 1 1  -28   10   36 o  2397.46   88.474   92.380   6.6418   89.238   9.4725   95.417   9.3153  2317.78  131.056  2403.90  124.180 -86.11646 180.5445 
1 1 1  -28   10   38 o  642.776  169.003   7.5025   3.4466   4.3459   6.0652   9.0081   4.1886  553.479  224.481  695.584  187.884 -142.1055 292.7324 
1 1 1  -28   10   40 o  1995.29  105.285   66.323   6.5547   69.945   11.314   64.493   8.0416  1924.72  190.224  1932.44  133.719 -7.721680 232.5213 
1 1 1  -28   10   42 o  754.608  150.317   10.605   3.4270   13.432   6.3798   9.4589   4.0630  753.083  240.044  682.471  185.339 70.61121 303.2687 
1 1 1  -28   10   44 o  1012.72  126.032   18.603   3.9101   19.310   6.5010   18.203   4.8944  893.170  230.794  951.364  170.565 -58.19354 286.9811 
1 1 1  -28   10   46 o  532.888  173.101   6.3362   3.3061   0.0000   5.0557   11.070   4.3699  376.936  175.587  683.336  194.764 -306.4000 262.2285 
1 1 1  -28   10   48 o  1380.90  112.607   35.479   4.8267   28.196   7.8253   39.951   6.1321  930.286  259.059  1404.44  141.361 -474.1507 295.1182 
1 1 1  -28   10   50 o  656.347  173.633   10.751   3.6236   10.127   5.5164   11.226   4.8059  520.444  212.937  586.259  208.355 -65.81500 297.9161 
1 1 1  -28   10   52 o  1765.45  117.712   63.831   6.4699   50.844   11.021   70.660   7.9919  830.703  312.238  1745.70  147.588 -915.0017 345.3622 
1 1 1  -28   10   54 o  1606.67  125.681   58.099   6.2725   53.729   10.521   60.509   7.8126  755.387  299.262  1451.28  175.485 -695.8934 346.9187 
1 1 1  -28   11    1 o  906.216  108.993   13.232   3.0307   8.7618   5.4845   15.197   3.6364  721.799  221.491  968.659  122.636 -246.8605 253.1760 
1 1 1  -28   11    3 o  583.352  130.954   5.6511   2.3334   5.8156   3.5926   5.5310   3.0688  593.566  178.666  576.624  162.819 16.94183 241.7265 
1 1 1  -28   11    5 o  550.543  135.802   5.0443   2.3265   4.8548   3.5772   5.1833   3.0628  552.682  180.083  560.175  164.076 -7.492615 243.6203 
1 1 1  -28   11    7 o  841.352  102.478   11.390   2.6440   10.284   3.9213   12.311   3.5803  783.304  165.081  866.793  136.422 -83.48920 214.1557 
1 1 1  -28   11    9 o  376.427  135.089   1.9422   2.0249   2.6585   3.1943   1.4610   2.6182  453.805  168.581  382.858  150.035 70.94708 225.6770 
1 1 1  -28   11   11 o  321.274  131.622   0.6113   2.1112  -1.3241   3.5298   1.6892   2.6343  350.809  156.849  392.512  151.410 -41.70322 218.0059 
1 1 1  -28   11   13 o  747.429  115.605   9.1016   2.6183   7.6656   4.0503   10.132   3.4317  673.272  185.971  781.689  145.561 -108.4167 236.1636 
1 1 1  -28   11   15 o  2206.72   84.431   77.006   5.8340   80.483   8.4351   73.818   8.0776  2241.36  120.632  2146.27  120.683 95.08667 170.6359 
1 1 1  -28   11   17 o  1235.18  101.302   24.402   3.8835   23.397   4.8593   26.179   6.4611  1200.69  131.392  1257.39  168.327 -56.70215 213.5368 
1 1 1  -28   11   19 o  349.748  142.799   0.8115   2.4744   0.4017   3.2808   1.3521   3.7682  380.279  160.566  431.471  176.201 -51.19238 238.3862 
1 1 1  -28   11   21 o  2145.99   99.332   73.273   6.6747   77.014   8.3307   66.564   11.155  2188.06  122.079  2002.56  179.809 185.4985 217.3353 
1 1 1  -28   11   23 o  1729.82   96.792   47.758   5.2217   52.505   6.5531   39.502   8.6423  1806.44  116.474  1534.85  183.459 271.5918 217.3094 
1 1 1  -28   11   25 o  3554.53  120.293  203.178   13.389  210.464   16.478  189.022   22.969  3594.94  146.381  3318.85  222.307 276.0879 266.1731 
1 1 1  -28   11   27 o  582.292  140.567   5.7287   2.5338   9.1908   3.9934   3.3956   3.2782  729.969  176.624  480.688  171.950 249.2809 246.5009 
1 1 1  -28   11   29 o  2281.86   86.617   82.843   6.1888   89.636   8.9683   76.667   8.5512  2352.21  122.183  2172.47  126.251 179.7432 175.6933 
1 1 1  -28   11   31 o  1100.31  110.425   19.674   3.7532   18.594   7.1939   20.078   4.3994  1011.18  232.116  1104.19  129.714 -93.01459 265.9009 
1 1 1  -28   11   33 o  3241.82   99.126  168.818   10.062  172.556   14.312  165.164   14.150  3235.51  141.264  3163.68  142.837 71.83105 200.8933 
1 1 1  -28   11   35 o  2231.84   86.230   79.796   6.0261   87.557   8.6270   72.400   8.4213  2311.10  119.622  2093.30  129.108 217.7986 176.0070 
1 1 1  -28   11   37 o  999.841  125.972   16.823   3.8563   14.106   6.4056   18.368   4.8296  846.614  233.883  1028.09  154.828 -181.4720 280.4866 
1 1 1  -28   11   39 o  1274.65  114.774   27.312   4.5318   29.339   7.9883   26.350   5.5030  1224.01  216.339  1226.59  146.158 -2.586426 261.0838 
1 1 1  -28   11   41 o  1151.72  157.107   24.371   5.5180   0.0000   0.0000   24.371   5.5180  ?   ?   1151.72  157.107 0.000000 157.1070 
1 1 1  -28   11   43 o  1305.74  112.820   29.701   4.5675   36.500   7.5505   25.777   5.7359  1344.40  184.208  1156.35  162.933 188.0471 245.9259 
1 1 1  -28   11   45 o  1343.61  111.825   32.090   4.6619   27.090   7.5571   35.162   5.9233  1038.08  237.623  1360.74  141.068 -322.6594 276.3421 
1 1 1  -28   11   47 o  577.235  194.263   8.4097   4.1539   8.6873   5.4049   8.0091   6.4923  548.576  215.389  516.070  222.118 32.50616 309.4013 
1 1 1  -28   11   49 o  379.060  159.240   2.8376   3.2005   2.6463   4.9559   2.9745   4.1918  391.651  179.348  391.168  173.137 0.4822083 249.2826 
1 1 1  -28   11   51 o  1796.79  114.663   63.532   6.4175   57.317   11.011   66.729   7.8977  1105.70  307.076  1733.27  146.900 -627.5690 340.4045 
1 1 1  -28   11   53 o  1052.37  199.840   33.479   6.3444   40.309   8.4791   24.792   9.5630  895.327  275.508  502.509  236.458 392.8176 363.0666 
1 1 1  -28   12    2 o  503.325  170.152   3.8688   3.1869   0.0000   0.0000   3.8688   3.1869  ?   ?   503.325  170.152 0.000000 170.1525 
1 1 1  -28   12    4 o  946.852  112.106   14.439   3.2592   19.461   6.0169   12.354   3.8773  1079.46  184.649  865.561  148.400 213.9041 236.8916 
1 1 1  -28   12    6 o  1019.95  105.728   16.678   3.3276   19.790   6.3813   15.516   3.8998  1085.02  194.994  977.293  130.713 107.7296 234.7524 
1 1 1  -28   12    8 o  1120.36  102.399   20.064   3.5526   22.280   6.6969   19.197   4.1909  1153.62  192.152  1090.16  125.031 63.45544 229.2496 
1 1 1  -28   12   10 o  800.366  118.801   10.415   2.8870   10.557   5.2247   10.353   3.4638  785.927  208.772  791.254  145.153 -5.327209 254.2735 
1 1 1  -28   12   12 o  821.057  120.404   10.965   3.0035   15.645   5.8386   9.2804   3.5025  959.110  200.851  745.555  155.085 213.5545 253.7562 
1 1 1  -28   12   14 o  675.422  139.192   7.5786   2.8459   5.2237   5.7605   8.3389   3.2732  612.451  226.610  706.230  152.483 -93.77948 273.1358 
1 1 1  -28   12   16 o  1784.74   95.983   50.643   5.3443   59.087   9.7510   47.018   6.3894  1900.74  165.488  1712.11  119.939 188.6274 204.3813 
1 1 1  -28   12   18 o  1536.43   97.932   37.616   4.6869   39.633   5.8963   34.153   7.7247  1570.22  120.851  1436.20  175.416 134.0144 213.0158 
1 1 1  -28   12   20 o  1042.32  110.937   17.511   3.5651   15.645   4.6815   20.087   5.5005  969.743  159.738  1099.60  164.831 -129.8619 229.5333 
1 1 1  -28   12   22 o  507.254  167.640   4.0678   3.0958   6.9237   4.2812   0.9377   4.4820  641.431  195.482  450.378  188.783 191.0529 271.7575 
1 1 1  -28   12   24 o  2627.34  105.163  110.121   8.6516  115.195   10.716  100.619   14.663  2675.29  127.916  2452.35  192.504 222.9487 231.1281 
1 1 1  -28   12   26 o  2568.61   89.213  104.798   7.1754  114.596   10.304   95.573   9.9979  2668.66  123.310  2429.16  131.938 239.4980 180.5903 
1 1 1  -28   12   28 o  2167.25   85.264   74.583   5.7862   81.805   8.2932   67.732   8.0770  2252.53  117.990  2044.49  126.793 208.0498 173.1997 
1 1 1  -28   12   30 o  2732.63  105.781  119.716   9.0512  127.798   15.743  115.726   11.062  2754.36  183.591  2669.06  132.363 85.30176 226.3311 
1 1 1  -28   12   32 o  1515.46   98.611   36.952   4.6539   32.203   8.0414   39.344   5.7067  1363.34  193.826  1555.00  118.085 -191.6650 226.9644 
1 1 1  -28   12   34 o  709.832  176.362   8.9043   3.9025   0.0000   0.0000   8.9043   3.9025  ?   ?   709.832  176.362 0.000000 176.3624 
1 1 1  -28   12   36 o  1312.89  134.102   28.979   5.4355   0.0000   0.0000   28.979   5.4355  ?   ?   1312.89  134.102 0.000000 134.1021 
1 1 1  -28   12   38 o  838.731  139.261   12.240   3.5291   16.314   6.0630   10.152   4.3401  912.593  215.601  733.480  188.077 179.1138 286.1060 
1 1 1  -28   12   40 o  1280.82  111.710   27.769   4.4353   19.651   7.0776   33.020   5.6915  954.843  237.661  1375.63  133.827 -420.7893 272.7499 
1 1 1  -28   12   42 o  2675.15  146.354  130.416   12.213   0.0000   0.0000  130.416   12.213  ?   ?   2675.15  146.354 0.000000 146.3537 
1 1 1  -28   12   44 o  1347.42  109.005   31.706   4.5596   28.346   7.5452   33.639   5.7228  1106.50  225.425  1348.43  137.460 -241.9276 264.0298 
1 1 1  -28   12   46 o  1050.88  131.967   20.854   4.2467   20.550   6.6726   21.061   5.5057  876.529  237.297  979.676  186.287 -103.1472 301.6834 
1 1 1  -28   12   48 f  1484.51  150.774   45.493   6.9113   47.375   9.3735   43.251   10.231  1312.78  236.740  1108.85  290.993 203.9323 375.1302 
1 1 1  -28   12   50 o  1109.25  188.796   30.682   6.3226   26.611   8.1851   36.704   9.9558  779.093  272.350  848.485  300.064 -69.39276 405.2320 
1 1 1  -28   12   52 o  617.929  214.661   14.036   5.0810   16.266   6.1719   9.3459   8.9503  595.677  231.204  416.442  203.928 179.2352 308.2890 
1 1 1  -28   13    1 o  643.780  143.505   6.8929   2.8190   7.1232   5.3331   6.8036   3.3208  666.333  220.020  637.463  165.065 28.87030 275.0551 
1 1 1  -28   13    3 o  718.031  167.094   8.6474   3.6863   0.0000   0.0000   8.6474   3.6863  ?   ?   718.031  167.094 0.000000 167.0944 
1 1 1  -28   13    5 o  1797.64   97.971   51.298   5.4938   60.428   9.7118   47.002   6.6622  1929.41  162.260  1712.99  125.072 216.4117 204.8685 
1 1 1  -28   13    7 o  609.528  151.593   6.2008   2.8812   3.0815   5.4879   7.3878   3.3853  547.901  216.426  663.887  163.846 -115.9855 271.4513 
1 1 1  -28   13    9 o  638.390  174.816   6.8236   3.5971   14.092   5.5325   1.5014   4.7344  911.427  199.403  479.011  196.773 432.4169 280.1450 
1 1 1  -28   13   11 o  397.923  151.114   1.8510   2.5973   0.9093   5.0598   2.1878   3.0265  477.182  200.329  429.775  163.143 47.40704 258.3553 
1 1 1  -28   13   13 o  747.465  164.647   9.3698   3.7494   6.0091   5.3590   12.592   5.2477  628.944  220.345  860.080  198.834 -231.1365 296.7943 
1 1 1  -28   13   15 o  706.333  164.907   8.3889   3.5810   6.3465   5.3357   10.063   4.8305  638.750  220.084  768.263  199.154 -129.5126 296.8146 
1 1 1  -28   13   17 o  645.596  172.572   7.0198   3.5556   14.601   5.3292   0.9374   4.7734  928.617  189.689  464.887  194.842 463.7302 271.9291 
1 1 1  -28   13   19 o  674.058  164.361   7.6626   3.4378   5.3599   4.8666   9.9565   4.8571  595.661  209.883  762.475  200.700 -166.8135 290.3988 
1 1 1  -28   13   21 o  419.690  153.166   2.3732   2.6176   6.6916   4.3022  -0.1650   3.2983  634.172  196.433  365.792  157.875 268.3799 252.0125 
1 1 1  -28   13   23 o  1001.91  147.323   16.552   4.4838   11.340   6.3271   21.811   6.3553  806.185  235.736  1138.31  184.626 -332.1243 299.4305 
1 1 1  -28   13   25 o  2510.84  102.548  100.413   8.0624   98.598   13.871  101.340   9.9079  2437.32  183.090  2508.32  126.556 -71.00098 222.5727 
1 1 1  -28   13   27 o  388.850  150.623   1.6692   2.6154   0.2601   4.3273   2.4801   3.2828  425.646  182.222  447.294  169.883 -21.64822 249.1286 
1 1 1  -28   13   29 o  672.612  144.593   7.6322   2.9547   10.302   4.9741   6.1762   3.6729  766.530  203.744  603.294  180.441 163.2366 272.1589 
1 1 1  -28   13   31 o  2280.94  125.588   84.591   8.9352   0.0000   0.0000   84.591   8.9352  ?   ?   2280.94  125.588 0.000000 125.5883 
1 1 1  -28   13   33 o  854.140  161.794   12.553   4.1688   0.0000   0.0000   12.553   4.1688  ?   ?   854.140  161.794 0.000000 161.7941 
1 1 1  -28   13   35 o  522.018  188.881   4.3596   3.9683   0.0000   0.0000   4.3596   3.9683  ?   ?   522.018  188.881 0.000000 188.8811 
1 1 1  -28   13   37 o  1300.05  112.178   28.076   4.5218   22.140   7.5946   31.335   5.6281  1055.68  235.713  1357.64  134.145 -301.9584 271.2110 
1 1 1  -28   13   39 o  1430.60  108.118   34.254   4.8074   20.474   8.2142   41.432   5.9289  950.922  265.637  1560.24  122.339 -609.3141 292.4544 
1 1 1  -28   13   41 o  1056.77  129.040   19.650   4.1813   15.869   6.9172   21.826   5.2487  822.540  247.990  1085.03  159.225 -262.4872 294.7061 
1 1 1  -28   13   43 f  1388.07  118.517   33.843   5.1019   37.180   8.3886   31.884   6.4272  1316.94  210.517  1288.24  162.979 28.69910 266.2323 
1 1 1  -28   13   45 o  611.010  206.442   8.9727   4.6912   6.5354   6.1581   12.343   7.2415  524.174  220.580  641.772  250.064 -117.5986 333.4481 
1 1 1  -28   13   47 o  1106.13  170.023   25.974   5.7004   16.579   7.5454   38.465   8.7005  688.363  258.427  1207.27  238.616 -518.9017 351.7418 
1 1 1  -28   13   49 o  2180.62  152.187  100.253   10.326   98.805   14.127  101.914   15.132  1789.49  259.707  1713.86  292.458 75.62402 391.1263 
1 1 1  -28   13   51 o  812.421  221.500   20.534   5.7896   19.565   7.2981   22.181   9.5094  643.999  251.010  573.409  256.832 70.58960 359.1227 
1 1 1  -28   14    2 o  796.317  120.799   10.300   2.9175   10.257   4.1996   10.339   4.0562  781.961  175.789  786.376  169.708 -4.414612 244.3408 
1 1 1  -28   14    4 o  1178.66  113.267   22.243   4.1288   18.341   7.3672   24.030   4.9853  1034.08  233.100  1220.68  132.560 -186.6016 268.1561 
1 1 1  -28   14    6 o  832.563  112.091   11.189   2.8479   12.241   4.0980   10.206   3.9606  860.139  157.979  781.731  166.881 78.40784 229.7966 
1 1 1  -28   14    8 o  1723.15   85.711   46.860   4.6246   45.660   6.5710   48.039   6.5098  1688.95  125.140  1733.93  120.651 -44.97595 173.8300 
1 1 1  -28   14   10 o  933.338  128.855   14.136   3.6654   14.008   4.5608   14.370   6.1596  919.448  164.451  916.917  217.775 2.530029 272.8924 
1 1 1  -28   14   12 o  1086.95  112.519   18.955   3.7741   21.722   4.6658   13.718   6.4191  1159.73  130.766  893.166  228.573 266.5692 263.3348 
1 1 1  -28   14   14 o  1114.52  129.015   20.075   4.4192   25.230   6.4010   15.381   6.1085  1238.41  169.521  949.703  210.905 288.7021 270.5885 
1 1 1  -28   14   16 o  1122.75  132.555   20.417   4.5702   21.022   6.6781   19.885   6.2680  1117.97  198.015  1089.18  190.735 28.78625 274.9362 
1 1 1  -28   14   18 o  1192.18  103.409   22.716   3.8220   22.366   6.4173   22.908   4.7579  1158.58  182.967  1190.39  129.749 -31.80725 224.3029 
1 1 1  -28   14   20 o  2090.12   97.585   69.263   6.3866   66.404   10.971   70.728   7.8549  2011.73  175.926  2102.25  119.824 -90.52112 212.8564 
1 1 1  -28   14   22 o  1513.55  124.762   36.879   5.8601   30.767   8.2203   43.195   8.3564  1352.31  200.179  1622.09  166.904 -269.7850 260.6315 
1 1 1  -28   14   24 o  2701.88  104.738  116.173   8.8611  131.944   15.545  108.581   10.785  2833.20  176.092  2596.09  133.122 237.1030 220.7477 
1 1 1  -28   14   26 o  1889.38   98.870   56.931   5.8290   63.642   10.199   53.676   7.1034  1965.46  167.311  1824.39  125.102 141.0682 208.9103 
1 1 1  -28   14   28 o  1409.77  123.599   32.212   5.4010   0.0000   0.0000   32.212   5.4010  ?   ?   1409.77  123.599 0.000000 123.5991 
1 1 1  -28   14   30 o  444.703  172.516   2.3117   3.4349   0.0000   0.0000   2.3117   3.4349  ?   ?   444.703  172.516 0.000000 172.5155 
1 1 1  -28   14   32 o  701.474  178.261   8.6382   3.9236   0.0000   0.0000   8.6382   3.9236  ?   ?   701.474  178.261 0.000000 178.2612 
1 1 1  -28   14   34 o  1026.40  124.651   17.533   3.9240   23.489   6.6944   14.416   4.8432  1147.21  193.227  902.631  177.685 244.5750 262.5045 
1 1 1  -28   14   36 o  1249.71  112.089   25.868   4.3396   20.433   7.0139   29.239   5.5237  1029.64  223.927  1312.52  136.395 -282.8853 262.1961 
1 1 1  -28   14   38 f  357.696  151.202   0.7788   2.9146   2.3035   4.4619  -0.3560   3.8493  456.706  189.640  370.309  164.808 86.39661 251.2471 
1 1 1  -28   14   40 o  713.612  188.730   10.056   4.2819   7.3046   5.3812   14.805   7.0695  599.162  219.467  801.370  252.394 -202.2079 334.4676 
1 1 1  -28   14   42 o  874.836  174.831   14.946   4.6217   10.378   6.0490   21.352   7.1636  664.958  234.029  968.151  237.984 -303.1924 333.7758 
1 1 1  -28   14   44 o  901.045  172.688   16.301   4.6949   7.8249   6.0970   28.648   7.3586  569.790  227.152  1136.24  214.693 -566.4557 312.5559 
1 1 1  -28   14   46 o  859.739  196.774   16.675   5.1828   16.191   7.0866   17.233   7.5993  732.325  253.563  736.918  261.991 -4.593140 364.6003 
1 1 1  -28   14   48 o  849.019  200.481   17.498   5.2445   13.644   7.1259   22.052   7.7467  618.376  245.870  800.539  265.213 -182.1630 361.6492 
1 1 1  -28   14   50 o  1457.73  119.042   40.951   5.3863   36.231   6.4442   51.892   9.8113  1266.66  166.511  1294.55  251.104 -27.88733 301.2959 
1 1 1  -28   15    1 o  356.251  146.079   0.7315   2.6033   5.6064   3.7295  -3.9007   3.6354  588.807  182.975  308.265  145.278 280.5417 233.6353 
1 1 1  -28   15    3 o  710.220  138.072   8.3085   2.9600   5.3541   4.2469   11.099   4.1277  587.586  196.432  816.814  167.022 -229.2281 257.8408 
1 1 1  -28   15    5 o  1156.55   95.869   21.274   3.4405   24.916   5.0802   18.188   4.6762  1244.07  132.449  1057.63  145.020 186.4415 196.4020 
1 1 1  -28   15    7 o  750.959  128.985   9.2173   2.9237   7.2768   4.2584   10.948   4.0213  662.284  193.323  811.676  163.867 -149.3923 253.4287 
1 1 1  -28   15    9 o  1437.05  104.971   32.863   4.6908   35.953   5.7018   26.393   8.2511  1499.18  122.534  1252.66  218.294 246.5244 250.3329 
1 1 1  -28   15   11 o  1324.20  107.897   27.963   4.4349   28.048   5.2841   27.760   8.1575  1321.01  129.407  1288.18  209.434 32.82983 246.1884 
1 1 1  -28   15   13 o  914.281  128.070   13.560   3.5658   14.920   4.3454   10.759   6.2392  953.970  150.459  796.954  234.397 157.0157 278.5316 
1 1 1  -28   15   15 o  699.584  137.491   8.0796   2.9044   9.2396   4.0894   6.8989   4.1258  741.050  178.382  644.982  190.865 96.06799 261.2464 
1 1 1  -28   15   17 o  638.339  135.963   6.7516   2.6344   5.5834   3.7834   7.8510   3.6703  587.160  184.594  683.620  171.695 -96.46039 252.0990 
1 1 1  -28   15   19 o  1111.86   98.497   19.729   3.3937   20.502   4.9984   19.068   4.6224  1121.41  145.798  1082.64  139.607 38.76501 201.8587 
1 1 1  -28   15   21 o  907.929  127.354   13.413   3.5210   16.603   4.3346   7.2260   6.0371  1007.96  141.214  678.099  234.077 329.8629 273.3737 
1 1 1  -28   15   23 o  1615.51   86.881   41.404   4.3788   34.928   6.2111   47.805   6.1741  1468.86  136.607  1728.06  114.757 -259.1979 178.4113 
1 1 1  -28   15   25 o  1081.50  118.221   18.912   3.9383   24.307   7.3148   16.709   4.6735  1195.35  202.670  1004.87  153.392 190.4761 254.1738 
1 1 1  -28   15   27 o  1938.35  100.763   60.018   6.0947   65.364   11.289   57.819   7.2406  1978.42  184.346  1893.31  122.797 85.11450 221.5006 
1 1 1  -28   15   29 o  457.829  176.935   2.4999   3.6026   0.0000   0.0000   2.4999   3.6026  ?   ?   457.829  176.935 0.000000 176.9352 
1 1 1  -28   15   31 f  2141.85   88.738   73.238   5.9513   72.909   8.5667   73.545   8.2738  2110.11  130.293  2123.01  125.014 -12.89648 180.5680 
1 1 1  -28   15   33 o  1872.03   89.145   56.208   5.2255   54.546   7.4013   57.861   7.3786  1815.19  131.100  1873.19  126.540 -57.99841 182.2071 
1 1 1  -28   15   35 o  1380.02  111.550   31.393   4.7791   29.408   5.8132   35.533   8.3941  1314.21  143.602  1399.52  197.002 -85.30334 243.7850 
1 1 1  -28   15   37 o  689.754  179.830   8.8587   3.9239   8.5420   4.6409   9.6527   7.3484  666.319  203.627  689.343  255.769 -23.02368 326.9272 
1 1 1  -28   15   39 o  865.783  155.112   13.546   4.0506   15.702   4.8999   8.8910   7.1986  915.674  177.303  651.000  250.523 264.6741 306.9174 
1 1 1  -28   15   41 o  364.002  159.076   0.4519   3.4362  -0.9502   4.1218   3.6470   6.2223  361.108  164.673  508.981  218.219 -147.8739 273.3802 
1 1 1  -28   15   43 o  509.430  181.552   5.1483   3.6514   2.3915   4.1722   14.167   7.5466  429.041  181.108  726.840  260.796 -297.7993 317.5132 
1 1 1  -28   15   45 o  467.803  177.092   4.3411   3.5600   0.7442   4.0612   16.275   7.3973  377.613  168.579  751.128  259.119 -373.5150 309.1302 
1 1 1  -28   15   47 f  1711.72  116.093   53.106   6.1856   50.136   7.3794   60.121   11.343  1594.23  149.576  1507.16  249.046 87.07581 290.5118 
1 1 1  -28   15   49 o  1151.69  136.535   26.294   4.8279   25.175   5.6163   29.463   9.4494  1060.90  175.180  830.619  292.484 230.2850 340.9324 
1 1 1  -28   16    2 o  577.551  156.009   5.5227   2.8879   2.8168   4.1413   8.0842   4.0292  496.325  190.254  695.050  182.721 -198.7256 263.7864 
1 1 1  -28   16    4 o  733.711  133.454   8.8228   2.9531   3.7108   4.1151   14.250   4.2403  525.492  192.004  933.226  150.203 -407.7343 243.7758 
1 1 1  -28   16    6 o  879.553  165.929   12.802   4.4023   12.802   4.4023   0.0000   0.0000  879.553  165.929  ?   ?  0.000000 165.9290 
1 1 1  -28   16    8 o  1245.51  117.466   24.812   4.5271   30.717   5.3697   10.302   8.4177  1385.11  125.160  805.880  276.504 579.2310 303.5120 
1 1 1  -28   16   10 o  1202.78  112.850   23.120   4.2005   21.078   4.9894   28.089   7.7836  1140.84  142.798  1302.48  197.004 -161.6376 243.3145 
1 1 1  -28   16   12 o  469.336  167.504   3.0744   3.1092   3.0896   3.5383   3.0226   6.5137  484.286  177.875  581.689  233.783 -97.40298 293.7586 
1 1 1  -28   16   14 o  1438.01   89.320   32.760   4.0020   36.081   5.7128   29.560   5.6080  1501.88  122.545  1355.54  133.872 146.3387 181.4913 
1 1 1  -28   16   16 o  828.709  121.731   11.142   3.0647   13.213   4.3626   9.1244   4.3061  893.555  161.882  735.969  186.597 157.5859 247.0308 
1 1 1  -28   16   18 o  843.541  122.345   11.550   3.1372   12.316   4.2809   10.662   4.6110  860.568  164.868  794.397  188.250 66.17090 250.2389 
1 1 1  -28   16   20 o  363.665  145.439   1.1020   2.5074   1.8501   3.7844   0.5167   3.3476  449.699  179.060  388.822  163.075 60.87695 242.1900 
1 1 1  -28   16   22 o  1765.06  101.833   49.602   5.6043   54.677   10.142   47.371   6.7240  1822.41  180.092  1717.23  125.928 105.1781 219.7522 
1 1 1  -28   16   24 o  310.520  140.741  -1.5528   2.9532  -0.1941   5.7560  -2.0383   3.4406  478.334  207.498  329.511  150.337 148.8234 256.2356 
1 1 1  -28   16   26 o  1961.87  101.836   61.479   6.2344   71.158   11.222   57.158   7.4979  2072.64  174.540  1880.64  128.089 192.0050 216.4967 
1 1 1  -28   16   28 o  1009.79  147.133   16.958   4.5155   18.465   6.2329   15.294   6.5506  1030.89  200.309  924.327  227.796 106.5599 303.3388 
1 1 1  -28   16   30 o  1351.81  112.550   29.673   4.7208   34.245   5.7872   20.580   8.1615  1444.85  129.282  1051.08  251.369 393.7670 282.6666 
1 1 1  -28   16   32 o  1529.62  107.656   38.044   5.1234   36.348   6.1781   41.780   9.1682  1479.55  134.835  1542.41  194.133 -62.85352 236.3642 
1 1 1  -28   16   34 o  1793.31  104.571   52.452   5.8465   57.646   7.1253   41.749   10.228  1866.51  122.597  1496.36  225.280 370.1509 256.4779 
1 1 1  -28   16   36 o  1200.20  126.474   24.280   4.6815   27.891   5.7237   16.981   8.1371  1272.44  146.318  891.686  268.998 380.7550 306.2175 
1 1 1  -28   16   38 o  1910.58  111.210   60.848   6.6244   63.540   7.9858   54.909   11.861  1927.56  133.127  1653.59  235.756 273.9706 270.7462 
1 1 1  -28   16   40 o  877.361  150.348   13.897   3.9818   12.773   4.6590   16.942   7.6688  811.068  187.243  852.802  261.946 -41.73450 321.9871 
1 1 1  -28   16   42 o  807.788  166.495   12.461   4.0713   14.208   4.8435   8.2569   7.5154  842.896  188.268  607.316  248.518 235.5801 311.7789 
1 1 1  -28   16   44 o  970.528  195.850   19.701   5.7466   17.095   7.9162   22.604   8.3553  782.121  268.154  914.965  271.810 -132.8436 381.8207 
1 1 1  -28   16   46 o  1258.33  127.108   28.972   4.9396   28.851   5.8196   29.284   9.3422  1212.37  156.985  978.365  286.556 234.0057 326.7396 
1 1 1  -28   16   48 o  1519.24  122.917   42.970   5.7972   45.547   6.9510   37.082   10.507  1510.38  148.912  994.271  306.813 516.1064 341.0415 
1 1 1  -28   17    1 o  1169.79  111.273   21.872   4.0267   21.073   5.0536   23.261   6.6641  1139.96  144.848  1186.40  185.459 -46.43542 235.3211 
1 1 1  -28   17    3 o  812.124  168.606   10.971   4.1473   10.971   4.1473   0.0000   0.0000  812.124  168.606  ?   ?  0.000000 168.6062 
1 1 1  -28   17    5 o  776.021  185.960   10.103   4.4596   10.103   4.4596   0.0000   0.0000  776.021  185.960  ?   ?  0.000000 185.9605 
1 1 1  -28   17    7 o  1411.15  130.121   31.918   5.6848   31.918   5.6848   0.0000   0.0000  1411.15  130.121  ?   ?  0.000000 130.1212 
1 1 1  -28   17    9 o  860.647  140.220   12.096   3.6487   16.478   4.6146   4.7858   5.9597  1004.82  151.362  611.227  229.633 393.5936 275.0302 
1 1 1  -28   17   11 o  820.231  130.348   10.953   3.2358   14.503   4.4544   6.9875   4.7083  939.792  156.903  656.131  205.867 283.6606 258.8428 
1 1 1  -28   17   13 o  590.033  174.617   5.7089   3.4532   7.0411   3.9426   1.3200   7.1560  650.969  184.809  566.044  237.968 84.92529 301.3019 
1 1 1  -28   17   15 o  1078.22  105.630   18.579   3.5204   16.230   4.8117   21.285   5.1643  993.634  160.090  1144.47  147.544 -150.8372 217.7109 
1 1 1  -28   17   17 f  822.103  131.239   11.032   3.2647   5.5624   4.5506   16.833   4.6865  599.994  203.321  1013.78  152.347 -413.7853 254.0645 
1 1 1  -28   17   19 o  1268.66  119.251   25.835   4.6816   23.691   8.2638   26.848   5.6813  1175.65  232.720  1286.62  143.462 -110.9681 273.3861 
1 1 1  -28   17   21 o  965.123  183.962   15.669   5.3565   15.284   7.4399   16.084   7.7182  934.093  249.602  956.922  253.531 -22.82904 355.7795 
1 1 1  -28   17   23 o  585.928  202.794   5.3023   4.5327   9.3875   6.4835   1.3967   6.3393  746.091  242.410  532.546  223.937 213.5450 330.0151 
1 1 1  -28   17   25 o  1898.46  106.070   57.680   6.2802   53.599   7.6249   66.287   11.074  1817.69  134.929  1997.05  178.991 -179.3564 224.1513 
1 1 1  -28   17   27 o  1520.83  126.732   37.604   5.9802   49.684   8.3701   25.008   8.5471  1733.87  155.833  1182.21  239.106 551.6605 285.4039 
1 1 1  -28   17   29 o  721.575  165.274   8.9829   3.6540   12.492   4.5786   2.8272   6.0640  848.659  177.981  543.474  222.911 305.1843 285.2483 
1 1 1  -28   17   31 o  1076.01  129.989   19.211   4.2909   16.935   4.9772   25.800   8.4679  992.168  166.078  1180.58  237.298 -188.4149 289.6415 
1 1 1  -28   17   33 o  432.332  185.475   0.7063   4.5002   2.3231   6.2951  -0.9836   6.4357  526.489  222.364  469.291  210.665 57.19739 306.3091 
1 1 1  -28   17   35 o  765.594  175.283   10.583   4.1114   11.366   4.7497   8.2429   8.2109  783.115  194.563  677.317  265.622 105.7988 329.2564 
1 1 1  -28   17   37 o  1212.06  127.260   24.885   4.7578   24.034   5.7431   26.744   8.4945  1165.02  161.802  1151.43  243.228 13.59644 292.1299 
1 1 1  -28   17   39 o  1634.74  109.572   44.661   5.5763   37.419   6.6468   61.871   10.246  1459.20  147.499  1830.58  181.134 -371.3788 233.5926 
1 1 1  -28   17   41 o  910.909  162.509   15.370   4.4652   19.128   5.3471   6.7126   8.1164  1004.99  176.350  594.774  251.918 410.2184 307.5092 
1 1 1  -28   17   43 o  1100.86  135.501   21.726   4.5722   22.051   5.3915   20.894   8.6279  1078.25  164.931  886.224  278.781 192.0213 323.9156 
1 1 1  -28   17   45 o  647.286  222.141   10.128   5.4333   6.2145   7.4331   14.617   7.9617  537.719  234.505  705.711  265.359 -167.9917 354.1306 
1 1 1  -28   18    2 o  550.844  182.910   4.7083   3.6839   7.0141   4.0657  -5.8672   8.7073  650.108  188.649  508.426  234.607 141.6813 301.0460 
1 1 1  -28   18    4 o  597.127  188.819   5.7294   3.9535   5.7294   3.9535   0.0000   0.0000  597.127  188.819  ?   ?  0.000000 188.8193 
1 1 1  -28   18    6 o  1193.00  148.648   23.083   5.4324   14.843   8.5590   28.641   7.0299  929.762  274.841  1323.12  173.893 -393.3552 325.2329 
1 1 1  -28   18    8 o  598.494  168.909   5.9198   3.3035   6.0764   4.2245   5.6734   5.3000  615.110  195.256  621.041  219.009 -5.930847 293.4108 
1 1 1  -28   18   10 o  367.009  154.934   0.2736   3.0538   1.2156   3.8827  -1.2541   4.9447  436.589  178.639  426.784  188.515 9.805206 259.7108 
1 1 1  -28   18   12 o  516.466  189.660   3.5497   4.0224   3.5497   4.0224   0.0000   0.0000  516.466  189.660  ?   ?  0.000000 189.6595 
1 1 1  -28   18   14 o  1268.08  139.707   25.979   5.4553   25.979   5.4553   0.0000   0.0000  1268.08  139.707  ?   ?  0.000000 139.7073 
1 1 1  -28   18   16 o  719.747  248.230   8.1310   6.7884   8.1310   6.7884   0.0000   0.0000  719.747  248.230  ?   ?  0.000000 248.2295 
1 1 1  -28   18   18 o  1190.79  230.509   24.290   8.2842   24.290   8.2842   0.0000   0.0000  1190.79  230.509  ?   ?  0.000000 230.5086 
1 1 1  -28   18   20 o  673.628  247.782   6.5838   6.8696   6.5838   6.8696   0.0000   0.0000  673.628  247.782  ?   ?  0.000000 247.7818 
1 1 1  -28   18   22 o  496.960  184.453   3.2958   3.8225   3.2958   3.8225   0.0000   0.0000  496.960  184.453  ?   ?  0.000000 184.4532 
1 1 1  -28   18   24 o  759.081  162.987   9.7556   3.7582   11.436   4.4219   5.3836   7.1324  818.648  177.611  641.468  248.664 177.1807 305.5802 
1 1 1  -28   18   26 o  319.810  151.188  -4.2247   3.9936  -1.7572   5.2283  -7.6810   6.1878  422.011  189.628  379.708  181.923 42.30310 262.7827 
1 1 1  -28   18   28 o  536.797  180.640   4.6659   3.5917   4.4880   4.1091   5.2420   7.3940  540.042  192.581  632.801  250.816 -92.75897 316.2223 
1 1 1  -28   18   30 o  905.869  145.590   13.839   3.9898   9.3692   4.7188   25.046   7.4719  723.674  201.046  1186.89  208.667 -463.2112 289.7613 
1 1 1  -28   18   32 f  484.196  184.288   3.2433   3.8683   2.5101   4.4400   5.5534   7.8809  478.931  192.827  633.630  256.272 -154.6991 320.7140 
1 1 1  -28   18   34 o  780.045  171.997   10.835   4.0881   12.541   4.8644   6.7341   7.5432  829.987  191.120  644.364  253.989 185.6230 317.8633 
1 1 1  -28   18   36 o  584.868  187.922   6.1909   3.9041   7.5733   4.5799   2.5160   7.4674  637.552  203.400  547.777  236.982 89.77576 312.3007 
1 1 1  -28   18   38 o  551.073  192.094   5.4634   4.0705   8.6048   4.6446  -4.9395   8.4522  667.218  203.669  461.795  218.796 205.4229 298.9190 
1 1 1  -28   18   40 o  376.915  165.221   0.2552   3.7320   2.0418   4.1760  -6.8311   8.3169  437.757  182.758  430.997  207.615 6.759949 276.5943 
1 1 1  -28   18   42 o  529.638  193.259   5.3293   4.1670   4.9597   4.7504   6.5630   8.6790  522.186  202.794  590.772  255.533 -68.58624 326.2250 
1 1 1  -28   18   44 o  512.819  188.458   5.1979   3.9727   5.9246   4.4473   2.3278   8.8378  537.450  199.062  510.405  235.813 27.04474 308.5993 
1 1 1  -28   19    1 o  1607.27  138.242   41.610   6.8897   41.610   6.8897   0.0000   0.0000  1607.27  138.242  ?   ?  0.000000 138.2424 
1 1 1  -28   19    3 o  657.771  182.414   7.2358   3.8883   9.6183   4.2657  -4.4711   9.4557  755.678  182.363  550.559  250.427 205.1191 309.7902 
1 1 1  -28   19    5 o  991.408  147.983   16.064   4.4532   17.399   5.0102   11.043   9.7186  1028.93  160.766  836.935  296.415 191.9937 337.2052 
1 1 1  -28   19    7 o  436.965  195.470  -1.9922   5.4897   6.3307   7.0002 -15.2866   8.8473  675.568  249.839  420.760  205.335 254.8076 323.3907 
1 1 1  -28   19    9 o  828.043  186.499   11.538   4.7193   11.538   4.7193   0.0000   0.0000  828.043  186.499  ?   ?  0.000000 186.4989 
1 1 1  -28   19   11 o  712.692  174.507   8.5272   3.8631   9.3662   4.2583   4.6254   9.1828  745.754  183.588  687.850  277.180 57.90387 332.4657 
1 1 1  -28   19   13 o  576.867  222.235   3.9319   5.6694   9.9387   7.0628  -6.9516   9.5069  775.906  253.053  522.024  242.373 253.8828 350.3998 
1 1 1  -28   19   15 o  625.129  247.007   4.2373   7.1504   4.2373   7.1504   0.0000   0.0000  625.129  247.007  ?   ?  0.000000 247.0069 
1 1 1  -28   19   17 o  611.382  194.700   6.0763   4.1979   6.0763   4.1979   0.0000   0.0000  611.382  194.700  ?   ?  0.000000 194.6999 
1 1 1  -28   19   19 o  482.893  185.059   2.7605   3.9176   2.7605   3.9176   0.0000   0.0000  482.893  185.059  ?   ?  0.000000 185.0594 
1 1 1  -28   19   21 o  567.185  202.416   4.7693   4.5403   4.7693   4.5403   0.0000   0.0000  567.185  202.416  ?   ?  0.000000 202.4157 
1 1 1  -28   19   23 o  956.029  174.328   15.444   5.0263   15.444   5.0263   0.0000   0.0000  956.029  174.328  ?   ?  0.000000 174.3282 
1 1 1  -28   19   25 o  1050.90  210.867   19.278   6.6975   19.278   6.6975   0.0000   0.0000  1050.90  210.867  ?   ?  0.000000 210.8668 
1 1 1  -28   19   27 o  834.507  198.083   12.238   5.0985   12.238   5.0985   0.0000   0.0000  834.507  198.083  ?   ?  0.000000 198.0835 
1 1 1  -28   19   29 o  955.945  179.747   15.822   5.1829   15.822   5.1829   0.0000   0.0000  955.945  179.747  ?   ?  0.000000 179.7473 
1 1 1  -28   19   31 o  737.811  203.630   9.8232   4.8583   9.8232   4.8583   0.0000   0.0000  737.811  203.630  ?   ?  0.000000 203.6298 
1 1 1  -28   19   33 o  978.903  171.289   16.740   5.0591   16.740   5.0591   0.0000   0.0000  978.903  171.289  ?   ?  0.000000 171.2886 
1 1 1  -28   19   35 o  687.227  211.345   8.8240   4.9904   8.8240   4.9904   0.0000   0.0000  687.227  211.345  ?   ?  0.000000 211.3446 
1 1 1  -28   19   37 o  1211.92  173.966   26.223   6.4124   26.223   6.4124   0.0000   0.0000  1211.92  173.966  ?   ?  0.000000 173.9656 
1 1 1  -28   19   39 o  663.141  205.836   8.5715   4.7212   8.5715   4.7212   0.0000   0.0000  663.141  205.836  ?   ?  0.000000 205.8358 
1 1 1  -28   19   41 o  354.223  166.062  -2.8808   4.6421  -2.8808   4.6421   0.0000   0.0000  354.223  166.062  ?   ?  0.000000 166.0616 
1 1 1  -28   19   43 o  468.665  195.149   3.1143   4.7437   3.1143   4.7437   0.0000   0.0000  468.665  195.149  ?   ?  0.000000 195.1489 
1 1 1  -28   20    2 o  802.002  180.325   10.838   4.4185   11.181   4.8518   9.1723   10.695  811.990  193.562  806.340  306.544 5.649536 362.5402 
1 1 1  -28   20    4 o  410.501  171.774   0.6413   3.7012   0.6413   3.7012   0.0000   0.0000  410.501  171.774  ?   ?  0.000000 171.7742 
1 1 1  -28   20    6 o  315.018  145.195  -2.4615   3.3209  -0.6240   3.4907 -19.9789   10.778  366.166  160.169  451.808  221.765 -85.64200 273.5577 
1 1 1  -28   20    8 o  400.069  192.434  -9.8612   7.0804  -9.8612   7.0804   0.0000   0.0000  400.069  192.434  ?   ?  0.000000 192.4344 
1 1 1  -28   20   10 o  956.388  224.674   15.695   6.6140   2.1938   8.5976   35.268   10.352  624.561  261.613  1439.84  237.923 -815.2784 353.6220 
1 1 1  -28   20   12 o  1041.53  216.154   18.487   6.8185   16.915   8.6334   21.094   11.116  981.307  271.696  1083.61  311.210 -102.2998 413.1230 
1 1 1  -28   20   14 o  706.230  180.939   8.4220   4.0193   11.799   4.4179  -7.8000   9.6822  838.496  173.968  516.856  241.509 321.6403 297.6429 
1 1 1  -28   20   16 o  722.567  177.588   8.8295   3.9894   8.9251   4.4082   8.3968   9.3782  724.991  191.376  764.055  287.862 -39.06451 345.6720 
1 1 1  -28   20   18 o  849.340  184.907   12.241   4.7781   12.241   4.7781   0.0000   0.0000  849.340  184.907  ?   ?  0.000000 184.9072 
1 1 1  -28   20   20 o  620.410  185.379   6.4448   3.8781   4.7269   4.3294   13.420   8.7238  561.080  197.934  873.444  280.940 -312.3635 343.6641 
1 1 1  -28   20   22 o  339.796  156.395  -2.6170   3.8347  -1.9208   4.3300  -5.1478   8.2563  379.234  171.284  492.665  227.724 -113.4308 284.9502 
1 1 1  -28   20   24 o  422.053  180.867   0.2251   4.2710   4.0240   4.9643 -10.5986   8.3795  550.779  208.975  436.202  209.701 114.5773 296.0486 
1 1 1  -28   20   26 o  301.144  146.168  -6.8826   4.3192  -6.8826   4.3192   0.0000   0.0000  301.144  146.168  ?   ?  0.000000 146.1677 
1 1 1  -28   20   28 o  578.684  209.275   5.1610   4.8706   5.1610   4.8706   0.0000   0.0000  578.684  209.275  ?   ?  0.000000 209.2751 
1 1 1  -28   20   30 o  485.971  193.997   2.5899   4.4525   2.5899   4.4525   0.0000   0.0000  485.971  193.997  ?   ?  0.000000 193.9966 
1 1 1  -28   20   32 o  684.883  206.634   8.4406   4.8012   8.4406   4.8012   0.0000   0.0000  684.883  206.634  ?   ?  0.000000 206.6339 
1 1 1  -28   20   34 o  404.819  180.075  -0.7271   4.5896  -0.7271   4.5896   0.0000   0.0000  404.819  180.075  ?   ?  0.000000 180.0746 
1 1 1  -28   20   36 o  536.940  206.490   4.3638   4.8881   4.3638   4.8881   0.0000   0.0000  536.940  206.490  ?   ?  0.000000 206.4899 
1 1 1  -28   20   38 o  357.285  164.893  -2.2465   4.3042  -2.2465   4.3042   0.0000   0.0000  357.285  164.893  ?   ?  0.000000 164.8930 
1 1 1  -28   20   40 o  509.025  203.997   3.8505   4.9443   3.8505   4.9443   0.0000   0.0000  509.025  203.997  ?   ?  0.000000 203.9975 
1 1 1  -28   21    1 o  564.500  192.504   4.8846   4.0795   4.6127   4.3492   6.8755   11.767  560.819  198.327  781.532  314.176 -220.7136 371.5381 
1 1 1  -28   21    3 o  948.909  165.214   14.924   4.7306   16.531   5.1587   6.4326   11.860  997.982  171.249  776.750  314.303 221.2319 357.9283 
1 1 1  -28   21    5 o  447.851  185.748   1.0420   4.2735   1.0420   4.2735   0.0000   0.0000  447.851  185.748  ?   ?  0.000000 185.7480 
1 1 1  -28   21    7 o  631.682  239.128   5.1751   6.4909   8.5897   8.1442  -0.7705   10.747  752.458  270.826  638.334  280.079 114.1237 389.6042 
1 1 1  -28   21    9 o  876.331  241.598   13.253   6.8433   11.386   8.6726   16.334   11.140  830.440  280.691  968.994  317.895 -138.5540 424.0809 
1 1 1  -28   21   11 o  452.835  181.291   1.7881   3.9004   2.2263   4.1998  -0.9608   10.519  478.163  189.187  628.335  276.361 -150.1717 334.9133 
1 1 1  -28   21   13 o  548.411  191.019   4.4938   4.0247   3.7653   4.3618   8.6681   10.441  531.977  197.118  790.054  302.270 -258.0771 360.8641 
1 1 1  -28   21   15 o  791.068  193.766   10.652   4.7616   10.652   4.7616   0.0000   0.0000  791.068  193.766  ?   ?  0.000000 193.7655 
1 1 1  -28   21   17 o  527.178  197.841   3.6028   4.4214   3.6028   4.4214   0.0000   0.0000  527.178  197.841  ?   ?  0.000000 197.8406 
1 1 1  -28   21   19 o  794.069  185.214   10.741   4.5207   13.838   5.0268  -2.3537   10.338  903.785  183.886  598.183  267.867 305.6019 324.9107 
1 1 1  -28   21   21 o  492.986  192.128   2.7295   4.2753   5.0346   4.7780  -6.5285   9.5755  581.045  207.617  521.912  242.628 59.13226 319.3326 
1 1 1  -28   21   23 f  600.138  202.028   5.7910   4.4926   5.7910   4.4926   0.0000   0.0000  600.138  202.028  ?   ?  0.000000 202.0283 
1 1 1  -28   21   25 o  891.396  167.436   13.451   4.5018   13.105   5.0676   14.748   9.8050  870.909  191.078  897.505  298.424 -26.59613 354.3551 
1 1 1  -28   21   27 o  576.695  202.662   5.2278   4.5351   8.3878   5.0722  -7.3669   10.126  694.489  212.985  521.674  244.787 172.8154 324.4738 
1 1 1  -28   21   29 o  1279.33  136.458   26.977   5.3820   26.757   6.2336   27.621   10.667  1261.77  161.482  1199.94  287.640 61.82996 329.8684 
1 1 1  -28   21   31 o  385.982  171.779  -0.9622   4.1815  -0.3339   4.7402  -3.1665   8.8787  424.311  186.096  523.940  239.974 -99.62958 303.6763 
1 1 1  -28   21   33 o  1151.74  148.028   22.373   5.2149   21.292   6.0195   25.623   10.441  1104.93  180.197  1125.53  293.284 -20.60461 344.2188 
1 1 1  -28   21   35 o  357.179  162.347  -1.6606   3.9646  -1.5897   4.3853  -1.9781   9.2768  378.445  171.518  537.402  245.829 -158.9568 299.7504 
1 1 1  -28   21   37 o  523.343  199.902   4.1680   4.5619   1.0697   5.1703   15.057   9.6928  459.933  198.086  833.205  295.922 -373.2721 356.1007 
1 1 1  -28   22    2 o  413.733  197.026  -8.3351   7.0274  -8.3234   8.3057  -8.3645   13.183  463.793  218.882  617.837  286.349 -154.0438 360.4233 
1 1 1  -28   22    4 o  413.644  196.335  -7.7627   6.8658 -15.4606   8.0947   11.974   12.962  390.967  191.960  895.267  338.154 -504.3002 388.8401 
1 1 1  -28   22    6 o  373.353  181.288 -10.8074   6.6618  -1.8523   7.8760 -33.3210   12.488  532.810  236.503  430.598  215.814 102.2119 320.1711 
1 1 1  -28   22    8 o  340.722  157.759  -3.1546   3.9871   0.5513   4.2142 -34.7845   12.312  432.466  182.257  419.113  210.620 13.35254 278.5291 
1 1 1  -28   22   10 o  640.141  252.248   4.5372   7.4381   7.0847   8.8910  -1.4038   13.578  730.456  279.061  703.511  311.483 26.94592 418.2061 
1 1 1  -28   22   12 o  613.407  201.416   5.9989   4.4717   5.9989   4.4717   0.0000   0.0000  613.407  201.416  ?   ?  0.000000 201.4160 
1 1 1  -28   22   14 o  721.825  194.540   8.8266   4.4965   7.0269   4.8613   19.487   11.831  655.742  209.593  1040.86  326.303 -385.1169 387.8184 
1 1 1  -28   22   16 o  402.432  175.147  -0.4612   4.1279  -0.4612   4.1279   0.0000   0.0000  402.432  175.147  ?   ?  0.000000 175.1472 
1 1 1  -28   22   18 o  847.849  194.501   12.263   5.0539   11.960   5.5258   13.813   12.499  833.422  211.417  914.174  334.534 -80.75269 395.7402 
1 1 1  -28   22   20 o  688.583  194.903   8.0589   4.3919   6.4311   4.7175   18.645   12.030  629.434  206.888  1009.65  330.310 -380.2125 389.7531 
1 1 1  -28   22   22 o  675.417  202.223   7.7385   4.6114   8.7484   5.1104   3.3111   10.700  714.945  212.616  686.787  289.977 28.15741 359.5723 
1 1 1  -28   22   24 o  405.681  175.240  -0.0956   4.0708   1.5791   4.4370  -9.0021   10.232  464.534  190.621  514.366  242.809 -49.83206 308.6954 
1 1 1  -28   22   26 o  843.058  185.637   12.246   4.7679   11.311   5.2394   16.749   11.500  803.513  206.975  945.984  323.212 -142.4716 383.8035 
1 1 1  -28   22   28 o  675.600  208.322   7.8926   4.8450   7.8926   4.8450   0.0000   0.0000  675.600  208.322  ?   ?  0.000000 208.3222 
1 1 1  -28   22   30 o  475.049  188.373   2.4701   4.1723  -1.5522   4.6138   20.522   9.7741  395.927  178.001  1029.08  290.575 -633.1559 340.7614 
1 1 1  -28   22   32 o  615.678  197.361   6.5444   4.3080   6.4180   4.7682   7.1061   10.051  615.066  208.127  709.210  288.487 -94.14404 355.7268 
1 1 1  -28   22   34 o  743.143  202.475   10.030   4.8397   11.606   5.4651   4.2990   10.419  793.955  214.676  657.764  282.203 136.1904 354.5768 
1 1 1  -28   22   36 o  468.641  189.915   2.3812   4.3373   1.7440   4.7857   5.3110   10.262  466.567  195.289  659.038  281.335 -192.4706 342.4720 
1 1 1  -28   23    1 o  986.334  275.586   17.046   8.8401   13.081   10.340   27.815   17.042  889.378  306.378  1220.78  392.666 -331.4065 498.0504 
1 1 1  -28   23    3 o  529.245  236.184  -2.3162   7.9635  -6.9778   9.1807   11.850   16.004  510.917  237.536  935.803  369.610 -424.8856 439.3574 
1 1 1  -28   23    5 o  568.481  252.152  -1.9194   8.9368  -1.9194   8.9368   0.0000   0.0000  568.481  252.152  ?   ?  0.000000 252.1521 
1 1 1  -28   23    7 o  357.419  164.209  -2.8871   4.2014  -1.6428   4.3654 -18.5239   15.475  389.886  174.366  597.171  286.531 -207.2853 335.4152 
1 1 1  -28   23    9 o  466.144  191.152   1.4155   4.4580   0.3774   4.6721   11.973   14.899  448.984  190.701  922.575  358.907 -473.5910 406.4245 
1 1 1  -28   23   11 o  612.186  253.281   2.5682   7.9178   2.4501   9.1053   2.9347   16.035  643.805  269.414  810.874  349.039 -167.0686 440.9216 
1 1 1  -28   23   13 o  464.942  193.108   1.1181   4.6282   2.9691   4.8954 -14.4649   14.204  525.192  205.337  591.951  281.387 -66.75940 348.3415 
1 1 1  -28   23   15 o  450.446  194.414  -0.1552   5.0018  -0.1552   5.0018   0.0000   0.0000  450.446  194.414  ?   ?  0.000000 194.4137 
1 1 1  -28   23   17 o  1072.68  165.360   19.024   5.3757   21.781   5.8422   3.7962   13.729  1148.56  167.362  769.574  326.885 378.9865 367.2384 
1 1 1  -28   23   19 o  916.981  204.990   14.397   5.7380   14.397   5.7380   0.0000   0.0000  916.981  204.990  ?   ?  0.000000 204.9905 
1 1 1  -28   23   21 o  554.361  199.735   4.4446   4.4308   2.5751   4.7018   19.275   13.243  504.431  199.986  1025.77  346.851 -521.3429 400.3748 
1 1 1  -28   23   23 o  468.760  195.008   1.2410   4.7306  -1.6195   5.2013   14.937   11.381  426.729  190.623  920.217  321.180 -493.4885 373.4883 
1 1 1  -28   23   25 o  489.131  199.071   1.9939   4.7894   2.7769   5.2942  -1.5347   11.239  527.114  211.147  627.292  280.214 -100.1782 350.8605 
1 1 1  -28   23   27 o  685.083  219.923   7.9937   5.3479   7.9937   5.3479   0.0000   0.0000  685.083  219.923  ?   ?  0.000000 219.9231 
1 1 1  -28   23   29 o  646.055  212.853   7.0409   4.9924   7.2854   5.6019   6.0972   11.005  660.705  225.581  723.195  298.857 -62.49072 374.4359 
1 1 1  -28   23   31 o  743.695  210.139   9.8508   5.1099   9.8508   5.1099   0.0000   0.0000  743.695  210.139  ?   ?  0.000000 210.1392 
1 1 1  -28   23   33 o  456.245  192.098   1.2089   4.6746  -0.5578   5.1847   8.8861   10.808  437.400  193.128  750.156  301.261 -312.7562 357.8502 
1 1 1  -28   24    2 o  516.337  209.772   2.0512   5.3063   0.8866   5.5773   13.168   17.232  498.940  209.939  975.310  384.060 -476.3701 437.6941 
1 1 1  -28   24    4 o  339.798  160.352  -4.8128   4.4561  -4.8004   4.5764  -5.0383   19.559  346.306  163.143  801.985  362.965 -455.6791 397.9436 
1 1 1  -28   24    6 o  835.591  205.964   11.839   5.3545   13.312   5.6092  -3.2870   17.972  886.291  206.029  786.400  352.594 99.89081 408.3753 
1 1 1  -28   24    8 o  472.648  197.715   0.9272   4.9012   0.9272   4.9012   0.0000   0.0000  472.648  197.715  ?   ?  0.000000 197.7151 
1 1 1  -28   24   10 o  550.625  202.360   4.0864   4.5804   5.9018   4.7550 -19.2827   17.061  616.350  207.843  632.578  302.812 -16.22864 367.2792 
1 1 1  -28   24   12 o  680.226  207.952   7.6510   4.8396   10.350   5.0605 -21.2685   16.564  781.337  204.470  606.487  292.355 174.8495 356.7628 
1 1 1  -28   24   14 o  636.045  217.226   6.2704   5.1947   7.3394   5.5129  -2.1952   15.514  676.610  223.711  740.585  330.137 -63.97479 398.7943 
1 1 1  -28   24   16 o  466.899  195.620   0.8998   4.8090  -2.6228   5.0968   29.483   14.518  406.655  184.541  1260.37  353.534 -853.7142 398.8006 
1 1 1  -28   24   18 o  1838.99  135.346   54.415   7.7389   6.8129   8.5391  273.304   18.311  715.075  273.411  4127.28  141.686 -3412.203 307.9422 
1 1 1  -28   24   20 o  498.406  196.039   2.5912   4.4849   3.3193   4.7184  -4.2236   14.435  527.940  202.910  686.486  311.150 -158.5462 371.4657 
1 1 1  -28   24   22 o  621.825  230.390   5.4401   5.9582   8.9284   6.5765 -10.5384   14.075  734.289  244.416  614.304  288.364 119.9855 378.0112 
1 1 1  -28   24   24 o  666.855  223.905   7.2427   5.5181   7.2427   5.5181   0.0000   0.0000  666.855  223.905  ?   ?  0.000000 223.9053 
1 1 1  -28   24   26 o  505.966  202.147   2.5508   4.8386   6.9780   5.3065 -19.2873   11.785  653.073  219.568  479.555  234.658 173.5179 321.3637 
1 1 1  -28   24   28 o  727.657  209.374   9.2200   5.0272   9.1976   5.5539   9.3218   11.827  727.403  222.835  799.214  317.076 -71.81128 387.5473 
1 1 1  -28   25    1 o  377.337  164.566  -0.5727   3.6607  -0.6069   3.7686  -0.0000   15.412  382.286  166.842  768.643  336.374 -386.3563 375.4777 
1 1 1  -28   25    3 o  499.243  207.160   1.3057   5.3191   2.4607   5.6486  -7.7367   15.805  539.640  217.416  696.684  319.491 -157.0439 386.4504 
1 1 1  -28   25    5 o  373.628  174.291  -4.4690   5.0093  -3.1109   5.2558 -17.9335   16.549  407.264  185.811  631.909  301.319 -224.6444 354.0039 
1 1 1  -28   25    7 o  608.841  225.758   4.9449   5.7233   6.2816   6.0461  -6.5838   17.756  655.348  233.613  752.869  342.726 -97.52051 414.7729 
1 1 1  -28   25    9 o  776.498  236.011   10.081   6.2466   12.351   6.6056  -9.1074   19.208  851.470  238.337  761.536  350.329 89.93323 423.7159 
1 1 1  -28   25   11 o  477.722  199.271   1.0252   4.9586   3.5101   5.1891 -25.0985   16.825  551.953  212.620  591.303  287.345 -39.34955 357.4550 
1 1 1  -28   25   13 o  649.745  217.661   6.6346   5.2145   7.1908   5.4951   1.6021   16.528  672.720  223.395  809.044  351.289 -136.3244 416.3039 
1 1 1  -28   25   15 f  803.148  213.282   10.969   5.4540   10.937   5.7472   11.254   17.295  801.817  221.550  945.484  380.609 -143.6671 440.3949 
1 1 1  -28   25   17 o  785.491  223.843   10.494   5.7727   10.494   5.7727   0.0000   0.0000  785.491  223.843  ?   ?  0.000000 223.8430 
1 1 1  -28   25   19 o  527.976  200.869   3.4104   4.5946   1.4331   4.8654   19.702   13.966  482.161  198.937  1050.81  356.193 -568.6471 407.9821 
1 1 1  -28   25   21 o  799.666  232.475   10.982   6.1692   9.9947   6.8974   14.931   13.794  772.002  249.964  951.069  350.910 -179.0671 430.8363 
1 1 1  -28   25   23 o  601.735  220.817   5.1410   5.4512   5.1410   5.4512   0.0000   0.0000  601.735  220.817  ?   ?  0.000000 220.8169 
1 1 1  -28   26    6 o  526.230  201.434   3.2115   4.6382   4.2138   4.8291  -8.7209   16.662  563.254  207.662  710.455  326.629 -147.2013 387.0531 
1 1 1  -28   26    8 o  729.389  212.757   8.8705   5.1593   10.389   5.4661  -3.5336   15.620  785.052  215.714  736.545  329.585 48.50677 393.9018 
1 1 1  -28   26   10 o  699.824  237.113   7.6549   6.1889   11.588   6.6971 -15.3467   16.196  828.127  242.640  642.987  304.121 185.1403 389.0550 
1 1 1  -28   26   12 o  513.176  213.215   1.3597   5.6450  -1.2973   6.0401   19.700   15.869  474.080  208.932  1076.49  379.037 -602.4127 432.8071 
1 1 1  -28   26   14 o  427.793  194.952  -3.2717   5.7646  -3.2717   5.7646   0.0000   0.0000  427.793  194.952  ?   ?  0.000000 194.9517 
1 1 1  -27    0    1 o  929.940  238.002   16.557   5.9909   16.557   5.9909   16.557   5.9909  929.940  238.002  929.940  238.002 -0.000000 0.000000 
1 1 1  -27    0    3 o  866.879  241.591   14.759   5.6733   14.759   5.6733   14.759   5.6733  866.879  241.591  866.879  241.591 -0.000000 0.000000 
1 1 1  -27    0    5 o  1705.93  168.545   48.256   8.8015   48.256   8.8015   48.256   8.8015  1705.93  168.545  1705.93  168.545 -0.000000 0.000000 
1 1 1  -27    0    7 o  433.864  191.963   4.3760   2.7466   4.3760   2.7466   4.3760   2.7466  433.864  191.963  433.864  191.963 -0.000000 0.000000 
1 1 1  -27    0    9 o  1217.20  119.998   24.219   4.4715   24.219   4.4715   24.219   4.4715  1217.20  119.998  1217.20  119.998 -0.000000 0.000000 
1 1 1  -27    0   11 o  744.637  167.956   10.101   3.4166   10.101   3.4166   10.101   3.4166  744.637  167.956  744.637  167.956 -0.000000 0.000000 
1 1 1  -27    0   13 o  695.813  167.360   8.9508   3.1621   8.9508   3.1621   8.9508   3.1621  695.813  167.360  695.813  167.360 -0.000000 0.000000 
1 1 1  -27    0   15 o  1157.93  123.655   22.037   4.3546   22.037   4.3546   22.037   4.3546  1157.93  123.655  1157.93  123.655 -0.000000 0.000000 
1 1 1  -27    0   17 o  1813.33  119.285   52.939   6.7057   52.939   6.7057   52.939   6.7057  1813.33  119.285  1813.33  119.285 -0.000000 0.000000 
1 1 1  -27    0   19 o  235.134  154.724  -0.4250   2.8948  -0.4250   2.8948  -0.4250   2.8948  235.134  154.724  235.134  154.724 -0.000000 0.000000 
1 1 1  -27    0   21 o  578.872  204.901   7.0947   3.3782   7.0947   3.3782   7.0947   3.3782  578.872  204.901  578.872  204.901 -0.000000 0.000000 
1 1 1  -27    0   23 o  4287.13  165.971  297.015   22.204  297.015   22.204  297.015   22.204  4287.13  165.971  4287.13  165.971 -0.000000 0.000000 
1 1 1  -27    0   25 o  593.675  194.653   7.1980   3.2084   7.1980   3.2084   7.1980   3.2084  593.675  194.653  593.675  194.653 -0.000000 0.000000 
1 1 1  -27    0   27 o  527.464  198.874   6.0186   3.0751   6.0186   3.0751   6.0186   3.0751  527.464  198.874  527.464  198.874 -0.000000 0.000000 
1 1 1  -27    0   29 o  532.961  198.572   6.1086   3.0843   6.1086   3.0843   6.1086   3.0843  532.961  198.572  532.961  198.572 -0.000000 0.000000 
1 1 1  -27    0   31 o  187.380  128.807  -1.7023   2.4660  -1.7023   2.4660  -1.7023   2.4660  187.380  128.807  187.380  128.807 -0.000000 0.000000 
1 1 1  -27    0   33 o  1859.69  117.632   55.438   6.7871   55.438   6.7871   55.438   6.7871  1859.69  117.632  1859.69  117.632 -0.000000 0.000000 
1 1 1  -27    0   35 o  770.576  170.403   10.735   3.5955   10.735   3.5955   10.735   3.5955  770.576  170.403  770.576  170.403 -0.000000 0.000000 
1 1 1  -27    0   37 o  407.110  210.067   3.9567   3.4343   3.9567   3.4343   3.9567   3.4343  407.110  210.067  407.110  210.067 -0.000000 0.000000 
1 1 1  -27    0   39 f  2980.91  194.452  145.555   17.973  145.555   17.973  145.555   17.973  2980.91  194.452  2980.91  194.452 -0.000000 0.000000 
1 1 1  -27    0   41 o  622.913  215.588   8.1278   3.7916   8.1278   3.7916   8.1278   3.7916  622.913  215.588  622.913  215.588 -0.000000 0.000000 
1 1 1  -27    0   43 o  1610.28  121.871   41.865   6.0640   41.865   6.0640   41.865   6.0640  1610.28  121.871  1610.28  121.871 -0.000000 0.000000 
1 1 1  -27    0   45 o  1725.60  123.748   48.130   6.6074   48.130   6.6074   48.130   6.6074  1725.60  123.748  1725.60  123.748 -0.000000 0.000000 
1 1 1  -27    0   47 o  540.980  273.803   7.4671   5.7702   7.4671   5.7702   7.4671   5.7702  540.980  273.803  540.980  273.803 -0.000000 0.000000 
1 1 1  -27    0   49 o  394.022  245.583   2.4617   6.1548   2.4617   6.1548   2.4617   6.1548  394.022  245.583  394.022  245.583 -0.000000 0.000000 
1 1 1  -27    0   51 o  3708.75  232.227  239.634   26.726  239.634   26.726  239.634   26.726  3708.75  232.227  3708.75  232.227 -0.000000 0.000000 
1 1 1  -27    0   53 o  1289.30  240.063   31.127   8.7054   31.127   8.7054   31.127   8.7054  1289.30  240.063  1289.30  240.063 -0.000000 0.000000 
1 1 1  -27    0   55 o  979.240  176.151   17.264   4.8816   17.264   4.8816   17.264   4.8816  979.240  176.151  979.240  176.151 -0.000000 0.000000 
1 1 1  -27    0   57 o  408.108  226.180   4.2699   4.2461   4.2699   4.2461   4.2699   4.2461  408.108  226.180  408.108  226.180 -0.000000 0.000000 
1 1 1  -27    0   59 o  1316.99  142.087   29.485   5.6868   29.485   5.6868   29.485   5.6868  1316.99  142.087  1316.99  142.087 -0.000000 0.000000 
1 1 1  -27    1    2 o  589.420  175.028   5.9217   3.4651   1.7851   4.8899   10.094   4.9109  482.645  199.312  756.128  203.106 -273.4830 284.5654 
1 1 1  -27    1    4 o  362.446  137.224   1.6090   2.1377   4.0588   3.8669   0.5309   2.5653  519.707  186.662  342.730  143.176 176.9771 235.2490 
1 1 1  -27    1    6 o  468.337  143.758   3.6169   2.3102  -1.9743   4.1839   6.0693   2.7709  367.659  166.981  596.869  148.785 -229.2097 223.6510 
1 1 1  -27    1    8 o  384.752  130.179   2.2673   1.8654   0.9425   2.6106   3.6494   2.6664  359.351  146.694  475.717  155.501 -116.3662 213.7751 
1 1 1  -27    1   10 o  1481.33   79.738   34.950   3.6849   35.375   5.2663   34.541   5.1580  1477.08  114.764  1459.93  113.729 17.15344 161.5706 
1 1 1  -27    1   12 o  859.534   92.778   11.927   2.4574   9.2599   3.4315   14.736   3.5209  736.851  153.702  947.023  121.538 -210.1720 195.9484 
1 1 1  -27    1   14 o  612.701  120.228   6.2734   2.2242   6.6873   3.1455   5.8594   3.1456  622.968  160.315  584.034  164.820 38.93378 229.9273 
1 1 1  -27    1   16 o  351.421  127.801   1.6982   1.8201  -2.4748   2.5936   5.7473   2.5548  264.165  123.933  580.486  141.778 -316.3210 188.3087 
1 1 1  -27    1   18 o  828.881   99.755   11.177   2.5371   10.202   3.4525   12.322   3.7409  774.680  147.719  854.333  145.024 -79.65314 207.0093 
1 1 1  -27    1   20 o  496.916  130.773   4.1852   2.0624   7.4191   2.8980   0.8666   2.9358  658.898  144.448  371.745  154.050 287.1528 211.1790 
1 1 1  -27    1   22 o  1330.47   82.126   28.316   3.4047   32.524   4.9600   24.567   4.6819  1413.25  113.029  1222.19  124.059 191.0656 167.8280 
1 1 1  -27    1   24 o  1737.36   81.717   48.109   4.4455   52.722   6.3676   43.723   6.2092  1800.81  113.506  1634.49  122.205 166.3252 166.7863 
1 1 1  -27    1   26 o  1247.76   87.104   24.991   3.3818   25.835   4.9683   24.261   4.6164  1251.06  128.661  1214.64  123.077 36.41516 178.0490 
1 1 1  -27    1   28 o  936.573  100.454   14.269   2.9000   13.251   4.2214   15.179   3.9906  878.177  159.388  951.250  138.006 -73.07269 210.8321 
1 1 1  -27    1   30 o  1231.34   87.296   24.388   3.3440   21.255   4.7886   27.371   4.6719  1126.44  138.692  1291.67  116.774 -165.2279 181.3054 
1 1 1  -27    1   32 o  813.997  118.840   11.040   2.9398   10.400   3.5420   12.456   5.2703  775.896  151.223  822.861  205.237 -46.96466 254.9324 
1 1 1  -27    1   34 o  3681.80  106.554  220.946   12.284  225.167   17.378  216.731   17.367  3642.51  152.368  3567.99  155.445 74.51855 217.6677 
1 1 1  -27    1   36 o  929.249  101.512   14.225   2.9056   15.176   4.0470   13.214   4.1743  939.084  142.071  864.992  160.012 74.09210 213.9813 
1 1 1  -27    1   38 o  2408.45  101.585   95.027   7.6610   98.498   13.411   93.346   9.3339  2330.82  185.277  2355.16  127.038 -24.34424 224.6476 
1 1 1  -27    1   40 o  1673.63   98.229   46.096   5.1252   49.207   6.3772   40.420   8.6125  1709.34  119.907  1472.44  191.321 236.9004 225.7903 
1 1 1  -27    1   42 o  3326.47  102.479  183.790   10.674  182.383   15.140  185.181   15.052  3208.43  150.696  3238.57  148.432 -30.14209 211.5221 
1 1 1  -27    1   44 o  2330.98   89.202   90.003   6.5107   91.438   9.3776   88.668   9.0463  2273.49  132.301  2244.55  129.260 28.93677 184.9645 
1 1 1  -27    1   46 o  831.775  133.527   12.918   3.3600   8.9530   4.0725   21.371   5.9463  631.766  190.240  983.385  199.923 -351.6199 275.9716 
1 1 1  -27    1   48 o  716.843  159.923   11.094   3.4984   7.4953   4.2159   19.052   6.2690  531.535  194.324  803.659  234.553 -272.1239 304.5928 
1 1 1  -27    1   50 o  1437.09  152.866   46.356   6.7732   45.675   9.3785   47.099   9.7923  1094.49  274.220  1070.40  286.499 24.08948 396.5829 
1 1 1  -27    1   52 o  1340.09  112.699   36.707   4.6851   36.892   7.8246   36.603   5.8497  916.980  260.360  1215.59  157.378 -298.6110 304.2288 
1 1 1  -27    1   54 o  1714.07  117.326   65.239   6.2592   63.907   10.588   65.955   7.7605  855.404  308.674  1522.26  165.477 -666.8535 350.2324 
1 1 1  -27    1   56 o  610.049  157.487   11.656   3.0289   16.120   4.0438   5.9499   4.5717  624.494  189.911  322.954  155.165 301.5394 245.2390 
1 1 1  -27    1   58 o  419.627  161.426   8.7535   2.9879   9.9508   3.9051   7.0627   4.6406  365.051  163.970  294.175  144.620 70.87631 218.6346 
1 1 1  -27    2    1 o  604.103  152.082   6.2191   2.8748   6.0934   4.4448   6.3095   3.7694  605.332  200.909  607.924  183.015 -2.591858 271.7695 
1 1 1  -27    2    3 o  528.657  146.037   4.7222   2.4975   5.2298   4.8126   4.5351   2.9217  580.801  208.278  522.169  161.899 58.63208 263.8006 
1 1 1  -27    2    5 o  1957.48   93.067   61.126   5.7044   65.077   10.119   59.285   6.9066  1975.13  165.124  1914.93  115.728 60.20056 201.6406 
1 1 1  -27    2    7 o  667.903  113.090   7.3617   2.2807   7.2356   3.1762   7.4959   3.2770  649.951  157.677  661.057  160.030 -11.10638 224.6587 
1 1 1  -27    2    9 o  280.230  117.196   0.2948   1.7215  -0.8931   2.5933   1.2306   2.3017  301.538  134.657  354.121  140.073 -52.58282 194.3015 
1 1 1  -27    2   11 o  891.513   94.451   12.830   2.5965   14.218   3.5964   11.319   3.7525  928.354  127.055  817.551  152.184 110.8035 198.2496 
1 1 1  -27    2   13 o  804.283   97.278   10.492   2.4001   8.8263   3.3393   12.273   3.4519  719.130  152.999  859.019  132.601 -139.8890 202.4640 
1 1 1  -27    2   15 o  875.169   96.777   12.402   2.6077   9.2171   3.7180   15.486   3.6583  730.093  166.347  969.940  123.234 -239.8473 207.0212 
1 1 1  -27    2   17 o  1959.44   81.400   61.109   4.9943   60.217   7.0993   61.984   7.0273  1924.39  118.390  1954.33  115.345 -29.94043 165.2895 
1 1 1  -27    2   19 o  1011.38   89.693   16.466   2.8110   14.546   4.0759   18.207   3.8819  929.980  144.673  1053.07  119.859 -123.0937 187.8741 
1 1 1  -27    2   21 o  1118.44   98.035   20.219   3.3987   22.082   4.3354   17.247   5.4742  1159.95  121.152  995.055  182.417 164.8942 218.9832 
1 1 1  -27    2   23 o  2067.60   82.200   68.129   5.3218   77.892   7.6962   59.184   7.3668  2191.41  112.539  1902.09  124.374 289.3207 167.7317 
1 1 1  -27    2   25 f  583.335  127.907   5.7556   2.2719   0.9921   3.2307   10.416   3.1956  389.877  161.586  787.541  134.413 -397.6648 210.1826 
1 1 1  -27    2   27 o  1041.29   89.924   17.468   2.9032   17.139   4.1279   17.791   4.0841  1014.77  133.121  1036.10  128.654 -21.32855 185.1297 
1 1 1  -27    2   29 o  1818.56   84.198   52.823   4.7945   52.559   6.8625   53.074   6.7013  1790.28  123.168  1801.46  119.478 -11.18555 171.5965 
1 1 1  -27    2   31 f  615.028  148.583   6.5530   2.8294   7.7896   3.5078   4.2504   4.7867  664.737  168.347  538.854  205.021 125.8832 265.2816 
1 1 1  -27    2   33 o  552.305  138.816   5.2751   2.3979   4.0656   3.3709   6.5140   3.4118  499.864  174.778  605.562  171.917 -105.6983 245.1584 
1 1 1  -27    2   35 o  1813.12   81.287   52.761   4.6149   52.683   6.5429   52.837   6.5103  1784.72  117.742  1787.98  116.928 -3.268921 165.9372 
1 1 1  -27    2   37 o  647.464  137.222   7.3049   2.6956   5.4314   4.7846   8.1761   3.2626  562.278  206.794  676.606  157.027 -114.3281 259.6553 
1 1 1  -27    2   39 o  545.867  137.508   5.2610   2.3492   1.6152   3.6878   7.7507   3.0475  415.642  172.483  658.153  151.073 -242.5117 229.2888 
1 1 1  -27    2   41 o  537.067  158.302   5.2653   2.8430   1.5915   3.5031   12.354   4.8662  404.692  168.037  797.280  196.245 -392.5882 258.3573 
1 1 1  -27    2   43 o  1041.76  116.603   18.642   3.7383   15.570   4.6181   24.482   6.3672  909.806  168.305  1123.86  187.543 -214.0508 251.9899 
1 1 1  -27    2   45 o  3171.99  119.768  176.868   11.896  177.523   14.579  175.563   20.576  3079.46  151.196  2730.95  243.160 348.5090 286.3339 
1 1 1  -27    2   47 o  1271.96  106.989   28.908   4.2216   27.459   5.1025   32.053   7.5162  1190.50  139.525  1146.95  217.238 43.54871 258.1850 
1 1 1  -27    2   49 o  2395.38  111.262  107.912   8.3452   99.646   10.151  125.147   14.658  2152.45  151.580  2092.64  227.354 59.81274 273.2511 
1 1 1  -27    2   51 o  881.383  135.803   16.887   3.6276   20.450   6.2105   15.041   4.4692  711.354  237.544  716.620  194.288 -5.265625 306.8800 
1 1 1  -27    2   53 o  973.845  132.031   21.742   3.9223   28.567   6.7702   18.295   4.8121  764.576  247.657  720.336  204.058 44.24011 320.8954 
1 1 1  -27    2   55 o  756.281  159.213   16.529   3.6511   22.676   6.3135   13.441   4.4753  544.331  225.767  510.091  197.186 34.23959 299.7550 
1 1 1  -27    2   57 o  421.414  167.145   8.8500   3.2857   12.297   5.6251   7.0650   4.0480  346.918  168.007  331.539  155.314 15.37897 228.7979 
1 1 1  -27    2   59 o  1694.36  115.400   77.868   6.0861   78.490   8.4671   77.203   8.7541  970.458  269.199  819.806  281.935 150.6518 389.8150 
1 1 1  -27    3    2 o  552.133  157.938   5.1583   2.8683   7.8679   4.7457   3.5988   3.6003  673.801  205.913  496.690  179.880 177.1113 273.4176 
1 1 1  -27    3    4 o  712.125  122.202   8.4003   2.6268   16.204   5.0818   5.5552   3.0685  974.796  172.816  571.625  163.303 403.1703 237.7668 
1 1 1  -27    3    6 o  1440.65   91.922   33.213   4.1250   39.631   7.2376   30.125   5.0202  1546.93  151.359  1361.80  118.923 185.1329 192.4895 
1 1 1  -27    3    8 o  1123.01   83.824   20.155   2.9264   22.533   4.0451   17.545   4.2387  1179.10  110.865  1030.69  134.547 148.4027 174.3386 
1 1 1  -27    3   10 o  1089.44   82.692   18.969   2.7998   21.432   3.9369   16.448   3.9826  1149.49  110.750  998.706  130.472 150.7813 171.1383 
1 1 1  -27    3   12 o  1166.03   82.873   21.725   3.0061   20.726   4.3947   22.603   4.1211  1123.63  127.145  1179.51  112.963 -55.88464 170.0773 
1 1 1  -27    3   14 o  689.044  104.118   7.7791   2.1764   8.8652   3.1907   6.8342   2.9761  723.091  145.954  631.791  152.235 91.30066 210.8978 
1 1 1  -27    3   16 o  1662.39   79.317   43.925   4.1287   43.474   5.8282   44.380   5.8497  1637.01  114.420  1654.47  113.605 -17.45410 161.2390 
1 1 1  -27    3   18 o  2041.96   82.297   66.378   5.2620   68.962   7.5261   63.906   7.3598  2060.99  117.105  1982.56  119.108 78.42920 167.0337 
1 1 1  -27    3   20 o  486.477  133.038   3.9979   2.0849   4.6690   3.3428   3.5707   2.6672  530.961  174.135  470.376  155.610 60.58417 233.5329 
1 1 1  -27    3   22 o  1256.71   97.827   25.473   3.8192   26.741   4.7598   23.180   6.3995  1278.41  120.321  1157.92  182.550 120.4900 218.6358 
1 1 1  -27    3   24 o  2060.52   82.913   67.646   5.3496   68.864   7.6092   66.455   7.5224  2057.37  118.619  2020.44  119.434 36.93372 168.3303 
1 1 1  -27    3   26 o  722.754  109.287   8.6031   2.3961   9.6587   3.6085   7.7706   3.2045  748.837  158.819  671.375  155.490 77.46265 222.2625 
1 1 1  -27    3   28 o  3604.37  104.682  209.462   11.815  202.298   16.694  216.650   16.722  3485.37  152.967  3614.13  147.767 -128.7559 212.6831 
1 1 1  -27    3   30 o  427.772  150.770   2.7832   2.5115   0.5956   3.3716   5.5100   3.7643  383.501  162.395  567.634  184.722 -184.1334 245.9559 
1 1 1  -27    3   32 o  1105.35   90.759   19.751   3.1135   23.797   4.7325   16.663   4.1343  1196.12  128.365  995.119  136.260 201.0048 187.2010 
1 1 1  -27    3   34 o  1771.19   96.526   50.878   5.3332   54.318   9.3576   49.223   6.4905  1766.95  171.281  1725.24  120.910 41.71423 209.6581 
1 1 1  -27    3   36 o  2457.04   87.493   97.385   6.7314  104.917   9.6858   90.349   9.3617  2514.38  123.023  2323.75  129.172 190.6313 178.3815 
1 1 1  -27    3   38 o  1371.17   83.714   30.443   3.5770   31.446   5.2189   29.555   4.9123  1367.91  123.164  1328.64  119.348 39.26660 171.5036 
1 1 1  -27    3   40 o  1545.44   84.230   38.792   4.0606   42.008   5.7739   35.645   5.7119  1582.10  117.388  1448.38  127.234 133.7137 173.1138 
1 1 1  -27    3   42 o  1445.47  104.344   34.912   4.6910   32.976   5.6980   38.984   8.2639  1377.34  133.807  1432.49  188.841 -55.15320 231.4414 
1 1 1  -27    3   44 o  1286.59  110.354   28.390   4.4027   25.793   5.3214   34.024   7.8388  1188.76  146.030  1292.87  200.095 -104.1104 247.7149 
1 1 1  -27    3   46 o  1290.99  109.246   29.414   4.3747   29.759   5.2716   28.653   7.8406  1261.63  135.568  1068.45  240.196 193.1824 275.8132 
1 1 1  -27    3   48 o  1065.26   97.916   20.265   3.2295   24.101   4.4932   16.166   4.6450  1109.76  131.885  833.606  182.975 276.1570 225.5515 
1 1 1  -27    3   50 o  301.387  130.938   1.1534   2.2990   1.8238   3.1216   0.3587   3.3984  338.013  149.520  311.834  144.826 26.17889 208.1601 
1 1 1  -27    3   52 o  2450.31  126.479  129.833   9.6710  119.703   16.756  134.893   11.843  1040.19  386.168  2275.95  167.350 -1235.754 420.8705 
1 1 1  -27    3   54 o  1289.51  123.242   37.906   4.9156   39.051   8.3241   37.293   6.0911  716.333  270.888  1099.22  183.433 -382.8876 327.1514 
1 1 1  -27    3   56 o  1941.05  135.773  100.007   8.2002   94.119   14.038  103.057   10.103  536.823  261.239  1609.76  205.096 -1072.932 332.1302 
1 1 1  -27    3   58 o  1530.47  144.867   73.382   6.8598   63.628   11.600   78.628   8.5066  385.884  195.134  1182.48  237.984 -796.5947 307.7562 
1 1 1  -27    4    1 o  1489.45   91.814   35.448   4.2612   35.229   7.3876   35.558   5.2163  1452.84  165.339  1484.07  113.103 -31.23254 200.3230 
1 1 1  -27    4    3 o  1682.19   91.695   45.193   4.8117   54.628   8.5757   40.859   5.8128  1820.00  151.869  1589.09  117.657 230.9016 192.1131 
1 1 1  -27    4    5 f  747.126  116.421   9.1796   2.6348   22.339   5.1976   4.6282   3.0567  1161.02  146.213  528.593  165.879 632.4235 221.1197 
1 1 1  -27    4    7 o  950.797   87.879   14.501   2.5867   8.9404   3.7784   19.406   3.5487  720.502  170.190  1096.03  104.674 -375.5321 199.8031 
1 1 1  -27    4    9 o  306.990  120.639   0.9287   1.6970  -0.0555   2.4785   1.7971   2.3283  318.576  137.178  379.658  143.339 -61.08179 198.4026 
1 1 1  -27    4   11 o  244.706  108.998  -0.5926   1.6875  -2.8752   2.4867   1.3559   2.2974  249.458  118.333  359.149  140.599 -109.6917 183.7680 
1 1 1  -27    4   13 o  817.284   94.878   10.804   2.3829   9.0302   3.4414   12.437   3.3026  727.385  155.792  868.141  125.106 -140.7567 199.8069 
1 1 1  -27    4   15 o  567.907  121.703   5.4072   2.0991   5.4704   3.0209   5.3481   2.9188  566.198  162.126  560.127  159.012 6.070313 227.0894 
1 1 1  -27    4   17 o  1281.38   83.605   26.238   3.3361   28.219   4.7897   24.371   4.6494  1316.47  117.426  1220.29  123.373 96.18042 170.3223 
1 1 1  -27    4   19 o  374.639  134.647   1.9900   2.0124   1.4997   2.8553   2.4738   2.8368  390.556  155.526  427.246  158.837 -36.69040 222.3004 
1 1 1  -27    4   21 o  1347.85   82.816   29.022   3.4783   30.144   4.8701   27.854   4.9695  1361.24  115.342  1304.74  123.092 56.49829 168.6878 
1 1 1  -27    4   23 o  408.645  138.537   2.5861   2.1127   3.3131   3.1686   2.0043   2.8348  471.426  169.007  408.295  157.187 63.13055 230.8047 
1 1 1  -27    4   25 o  956.266   91.777   14.742   2.7143   13.360   3.9821   15.941   3.7096  889.784  148.136  983.904  123.102 -94.12012 192.6091 
1 1 1  -27    4   27 o  2776.80   91.287  123.322   7.9373  125.498   11.311  121.211   11.141  2770.97  130.365  2722.97  130.662 47.99341 184.5744 
1 1 1  -27    4   29 o  1681.83   94.848   45.509   4.9745   44.288   6.1636   47.791   8.4253  1645.60  120.454  1681.60  162.013 -36.00867 201.8845 
1 1 1  -27    4   31 o  799.002  102.429   10.458   2.5036   10.296   3.8976   10.572   3.2667  767.041  167.015  790.381  136.956 -23.34094 215.9883 
1 1 1  -27    4   33 o  819.239  105.966   11.058   2.6546   9.9455   3.9888   11.942   3.5566  747.469  173.725  837.035  140.688 -89.56647 223.5479 
1 1 1  -27    4   35 o  582.795  149.982   5.9670   2.7530   9.4059   5.7280   4.9340   3.1393  702.940  227.810  532.003  168.260 170.9369 283.2117 
1 1 1  -27    4   37 o  2853.29   93.789  132.063   8.3795  133.323   11.885  130.818   11.816  2815.05  134.829  2787.69  135.370 27.36035 191.0601 
1 1 1  -27    4   39 o  1736.38   99.912   49.480   5.4093   53.356   6.7747   42.662   8.9850  1783.45  122.047  1521.27  192.961 262.1813 228.3189 
1 1 1  -27    4   41 o  2756.66  109.067  126.377   9.4144  120.429   11.491  138.521   16.420  2639.75  139.512  2715.07  194.429 -75.31714 239.3036 
1 1 1  -27    4   43 o  1453.54  102.884   35.489   4.6524   29.866   5.6082   47.899   8.3319  1295.97  140.448  1603.51  168.460 -307.5350 219.3271 
1 1 1  -27    4   45 o  1872.20  101.935   60.024   5.9532   55.328   7.2036   70.140   10.573  1746.49  132.717  1855.22  184.456 -108.7324 227.2397 
1 1 1  -27    4   47 o  307.886  131.217   0.9038   2.2258  -0.8353   2.8657   3.5482   3.5336  289.632  133.977  423.208  171.449 -133.5768 217.5884 
1 1 1  -27    4   49 o  1589.82   90.775   44.988   4.5002   47.151   6.2240   42.618   6.5144  1532.49  130.961  1411.39  149.689 121.1033 198.8903 
1 1 1  -27    4   51 o  560.797  148.813   7.4654   2.6564   5.3493   3.4094   10.735   4.2378  427.886  170.088  574.012  196.201 -146.1257 259.6624 
1 1 1  -27    4   53 o  2395.39  128.208  129.186   9.5815  106.982   16.374  140.749   11.816  757.377  338.279  2272.55  167.221 -1515.175 377.3539 
1 1 1  -27    4   55 o  349.025  153.145   4.6579   3.2133  -0.2593   5.2382   7.6246   4.0688  280.441  140.440  389.656  171.616 -109.2153 221.7551 
1 1 1  -27    4   57 o  657.665  219.969   25.569   5.3256   0.0000   0.0000   25.569   5.3256  ?   ?   657.665  219.969 0.000000 219.9687 
1 1 1  -27    5    2 o  433.763  143.667   2.9478   2.2733   3.2797   4.9892   2.8608   2.5538  528.443  207.105  437.260  152.169 91.18323 256.9978 
1 1 1  -27    5    4 o  1321.16   93.265   27.928   3.8335   29.069   6.8343   27.405   4.6305  1316.66  169.719  1301.51  114.799 15.15210 204.8987 
1 1 1  -27    5    6 o  359.542  130.870   1.7529   1.9092  -1.2800   2.9569   3.9212   2.5002  315.424  142.088  487.697  149.527 -172.2731 206.2699 
1 1 1  -27    5    8 o  569.558  150.641   5.5046   2.7279   5.0340   3.3155   6.4906   4.7994  550.088  172.779  624.810  208.820 -74.72174 271.0320 
1 1 1  -27    5   10 o  606.685  118.077   6.1187   2.1624   4.7455   3.2266   7.2384   2.9135  535.959  170.697  653.562  146.042 -117.6036 224.6457 
1 1 1  -27    5   12 o  576.759  125.827   5.5793   2.2085   1.9222   3.4052   8.2344   2.9015  430.216  170.309  700.289  137.226 -270.0730 218.7153 
1 1 1  -27    5   14 o  638.947  114.257   6.7559   2.2020   4.2587   3.2661   8.8370   2.9816  514.736  172.263  726.131  136.134 -211.3948 219.5612 
1 1 1  -27    5   16 o  1799.31   80.387   51.422   4.5291   53.586   6.4450   49.310   6.3659  1820.66  113.619  1744.45  117.222 76.20532 163.2497 
1 1 1  -27    5   18 o  856.647   96.521   11.870   2.5439   13.483   3.6486   10.344   3.5488  901.498  133.272  781.502  150.481 119.9965 201.0123 
1 1 1  -27    5   20 o  2038.52   81.245   66.049   5.1859   66.289   7.4448   65.823   7.2281  2022.35  118.078  2017.01  114.921 5.338989 164.7705 
1 1 1  -27    5   22 o  1610.11   79.514   41.181   4.0088   41.436   5.7565   40.941   5.5859  1598.46  115.797  1590.18  112.918 8.281738 161.7384 
1 1 1  -27    5   24 o  1252.41   84.074   25.072   3.2779   25.049   4.8188   25.092   4.4720  1236.21  126.262  1241.42  116.403 -5.210327 171.7319 
1 1 1  -27    5   26 o  2171.01   83.720   75.055   5.6912   78.074   8.1587   72.193   7.9429  2192.43  119.293  2106.99  120.898 85.43677 169.8444 
1 1 1  -27    5   28 o  2631.63  102.246  111.350   8.4254  117.170   10.390  100.171   14.399  2683.29  123.657  2411.62  192.278 271.6699 228.6089 
1 1 1  -27    5   30 o  1646.71   81.234   43.237   4.1886   40.910   6.0609   45.365   5.7953  1578.93  123.576  1670.14  111.457 -91.21558 166.4139 
1 1 1  -27    5   32 o  1161.61   85.997   21.719   3.1057   23.755   4.6994   20.140   4.1382  1196.34  127.410  1103.36  121.810 92.98560 176.2692 
1 1 1  -27    5   34 o  1044.81   90.081   17.686   2.9182   21.092   4.2538   14.657   4.0109  1126.34  122.590  927.139  142.740 199.2028 188.1571 
1 1 1  -27    5   36 o  2557.52  127.601  108.761   10.219   0.0000   0.0000  108.761   10.219  ?   ?   2557.52  127.601 0.000000 127.6005 
1 1 1  -27    5   38 o  1672.11   99.055   45.719   5.1632   44.887   6.4396   47.217   8.6396  1634.92  126.782  1632.81  171.547 2.104248 213.3120 
1 1 1  -27    5   40 o  3639.27  126.974  223.282   14.469  227.813   17.733  214.256   25.029  3608.75  156.927  3252.64  247.609 356.1101 293.1487 
1 1 1  -27    5   42 o  2208.87  104.464   81.211   7.2253   85.654   8.8944   72.591   12.389  2233.34  127.718  1920.13  209.461 313.2101 245.3279 
1 1 1  -27    5   44 o  1238.26   89.976   25.600   3.4648   23.272   4.9206   27.889   4.8796  1130.14  142.198  1256.83  125.676 -126.6919 189.7752 
1 1 1  -27    5   46 o  1372.15   90.505   32.132   3.8667   30.350   5.3594   34.066   5.5843  1268.77  137.079  1349.60  133.913 -80.83374 191.6335 
1 1 1  -27    5   48 o  2171.44   91.354   82.636   6.2115   82.404   8.6799   82.880   8.8926  2035.97  136.949  2029.76  140.786 6.205688 196.4077 
1 1 1  -27    5   50 o  2461.34   97.438  111.528   7.5096  107.234   10.490  116.043   10.755  2178.65  154.776  2281.14  151.436 -102.4995 216.5375 
1 1 1  -27    5   52 o  1749.49   93.012   57.744   5.0770   60.868   7.0337   54.347   7.3357  1637.29  138.495  1467.25  162.391 170.0414 213.4285 
1 1 1  -27    5   54 o  429.343  183.400   8.8079   4.3661   0.0000   0.0000   8.8079   4.3661  ?   ?   429.343  183.400 0.000000 183.4005 
1 1 1  -27    5   56 o  1023.94  215.977   43.791   6.7068   0.0000   0.0000   43.791   6.7068  ?   ?   1023.94  215.977 0.000000 215.9768 
1 1 1  -27    5   58 o  363.696  169.021   12.137   4.6408   0.0000   0.0000   12.137   4.6408  ?   ?   363.696  169.021 0.000000 169.0210 
1 1 1  -27    6    1 o  1568.84   94.219   39.276   4.6070   29.561   8.3553   43.520   5.5223  1310.70  210.724  1647.04  107.670 -336.3412 236.6374 
1 1 1  -27    6    3 o  412.614  145.648   2.4715   2.3446   2.1352   4.8659   2.5732   2.6757  494.190  200.838  428.715  155.101 65.47549 253.7561 
1 1 1  -27    6    5 o  983.924   87.461   15.491   2.6665   18.003   3.7914   13.032   3.7510  1052.89  116.976  886.635  139.735 166.2587 182.2339 
1 1 1  -27    6    7 o  1370.48   79.726   29.863   3.4065   34.650   5.0839   25.963   4.5891  1466.24  111.570  1266.15  117.076 200.0909 161.7242 
1 1 1  -27    6    9 o  512.676  126.374   4.4070   2.0157   1.1433   3.0215   7.0246   2.7059  388.156  158.062  646.465  137.883 -258.3090 209.7508 
1 1 1  -27    6   11 o  1183.86   84.272   22.363   3.1035   22.284   4.5771   22.431   4.2224  1167.96  127.210  1175.84  116.203 -7.878906 172.2952 
1 1 1  -27    6   13 o  704.409  106.732   8.1152   2.2804   6.6895   3.6066   9.0648   2.9435  624.598  176.562  737.722  132.284 -113.1239 220.6199 
1 1 1  -27    6   15 f  663.203  113.159   7.2508   2.2656   8.4253   3.4277   6.3396   3.0191  702.418  159.488  609.533  157.170 92.88422 223.9164 
1 1 1  -27    6   17 o  1885.44   79.926   56.410   4.7187   62.706   6.8358   50.678   6.5217  1972.77  111.114  1769.45  118.390 203.3131 162.3659 
1 1 1  -27    6   19 o  867.804   93.527   12.141   2.5013   9.6748   3.6988   14.219   3.3953  752.500  161.790  932.158  119.042 -179.6580 200.8656 
1 1 1  -27    6   21 o  1331.54   82.015   28.262   3.4029   33.825   4.9974   23.453   4.6465  1446.80  111.161  1197.81  125.763 248.9926 167.8486 
1 1 1  -27    6   23 o  500.312  131.721   4.2146   2.0919   9.7196   3.3712   0.7676   2.6676  758.559  147.239  356.378  147.195 402.1810 208.1960 
1 1 1  -27    6   25 o  1997.26   82.936   63.436   5.1867   61.229   7.4260   65.538   7.2475  1940.90  122.824  2012.51  115.493 -71.61633 168.5953 
1 1 1  -27    6   27 o  864.719  101.413   12.148   2.6938   9.7263   4.0253   14.111   3.6252  747.483  175.056  923.247  128.916 -175.7642 217.4029 
1 1 1  -27    6   29 o  937.229   96.036   14.219   2.7786   13.873   4.1878   14.490   3.7137  903.660  153.492  933.709  130.597 -30.04834 201.5324 
1 1 1  -27    6   31 o  1820.20   83.428   52.911   4.7550   56.431   6.8829   49.697   6.5767  1857.69  118.951  1741.40  121.371 116.2946 169.9417 
1 1 1  -27    6   33 o  2054.75   84.012   67.590   5.4053   69.870   7.6896   65.362   7.5995  2063.00  119.551  1992.94  122.372 70.06616 171.0770 
1 1 1  -27    6   35 o  1570.44  122.803   40.870   5.9907   38.638   8.8153   42.785   8.1661  1466.19  196.997  1569.85  168.778 -103.6611 259.4108 
1 1 1  -27    6   37 o  1784.45  122.898   52.981   6.8251   55.706   9.9767   50.585   9.3575  1769.20  182.723  1688.65  179.733 80.54651 256.3038 
1 1 1  -27    6   39 o  2345.25  102.406   90.041   7.5203   94.955   9.2846   80.668   12.823  2380.52  124.996  2093.73  197.938 286.7913 234.1013 
1 1 1  -27    6   41 o  2855.09   95.441  133.659   8.5324  131.202   12.081  136.105   12.052  2754.50  140.539  2814.97  136.734 -60.46460 196.0801 
1 1 1  -27    6   43 o  3112.22  118.530  165.918   11.551  154.701   14.137  188.448   20.036  2913.99  155.495  3041.19  211.719 -127.1946 262.6853 
1 1 1  -27    6   45 o  2221.28   91.746   83.252   6.3813   84.154   9.0605   82.364   8.9890  2140.96  135.857  2116.93  136.333 24.02588 192.4676 
1 1 1  -27    6   47 o  1607.92   92.352   44.903   4.6302   45.573   6.4641   44.197   6.6356  1535.63  135.833  1496.48  143.363 39.14453 197.4933 
1 1 1  -27    6   49 o  1502.11   90.660   40.156   4.2442   38.835   5.9005   41.573   6.1093  1371.35  139.347  1419.06  139.287 -47.70398 197.0240 
1 1 1  -27    6   51 o  4245.22  171.607  454.680   22.811  444.387   32.210  465.037   32.310  2497.36  427.261  2728.41  389.229 -231.0510 577.9713 
1 1 1  -27    6   53 o  2893.49  154.771  212.885   13.972  209.672   24.002  214.532   17.183  770.151  366.003  2404.63  231.054 -1634.482 432.8324 
1 1 1  -27    6   55 o  1653.33  190.764   92.456   9.6946   0.0000   0.0000   92.456   9.6946  ?   ?   1653.33  190.764 0.000000 190.7638 
1 1 1  -27    6   57 o  1990.28  148.049  118.040   9.1605  102.111   15.605  126.416   11.315  431.347  218.969  1610.95  230.923 -1179.606 318.2340 
1 1 1  -27    7    2 o  990.536  102.969   15.791   3.1470   12.299   5.6747   17.342   3.7819  839.066  215.009  1034.03  118.972 -194.9662 245.7295 
1 1 1  -27    7    4 o  686.976  123.625   7.7957   2.5615   9.2512   3.3426   5.7248   3.9870  742.653  148.923  590.102  189.940 152.5514 241.3612 
1 1 1  -27    7    6 o  668.043  117.052   7.3497   2.3593   10.832   3.5621   4.6286   3.1490  805.406  146.647  532.115  168.542 273.2910 223.4095 
1 1 1  -27    7    8 o  1358.38   80.263   29.323   3.3988   30.797   4.9124   27.970   4.7073  1381.82  114.568  1316.19  115.382 65.62390 162.6002 
1 1 1  -27    7   10 o  1274.87   81.885   25.863   3.2515   27.249   4.8564   24.736   4.3775  1296.69  121.007  1237.27  114.281 59.41162 166.4422 
1 1 1  -27    7   12 o  873.537   95.352   12.287   2.5658   10.513   3.8598   13.692   3.4344  787.363  161.964  914.739  123.023 -127.3759 203.3885 
1 1 1  -27    7   14 o  1673.62   78.934   44.376   4.1366   47.775   6.0204   41.337   5.6933  1722.82  112.213  1601.23  114.302 121.5873 160.1777 
1 1 1  -27    7   16 o  544.554  125.977   4.9671   2.1054   6.9033   3.1361   3.3786   2.8407  636.722  158.039  468.715  160.634 168.0069 225.3432 
1 1 1  -27    7   18 o  2611.80   87.572  108.401   7.1618  109.922   10.193  106.919   10.065  2610.29  124.708  2574.29  124.863 36.00122 176.4737 
1 1 1  -27    7   20 o  525.794  129.942   4.6446   2.1270   1.5227   3.3143   6.8310   2.7736  414.099  166.643  636.034  142.769 -221.9349 219.4374 
1 1 1  -27    7   22 o  1875.35   81.057   55.803   4.7598   59.892   6.7943   51.862   6.6702  1927.76  113.051  1790.33  119.673 137.4296 164.6280 
1 1 1  -27    7   24 o  1182.97   87.708   22.384   3.2257   18.553   4.8782   25.360   4.3000  1053.71  152.266  1251.95  110.835 -198.2421 188.3335 
1 1 1  -27    7   26 o  947.403   95.453   14.476   2.7931   15.716   4.1290   13.430   3.7925  972.229  139.640  897.549  139.470 74.68030 197.3604 
1 1 1  -27    7   28 o  3563.88  103.201  204.000   11.517  214.745   16.392  193.527   16.183  3612.51  144.916  3422.26  151.020 190.2427 209.3031 
1 1 1  -27    7   30 o  1552.31   83.911   38.542   4.0635   37.945   6.0136   39.043   5.5124  1519.44  127.578  1548.47  114.500 -29.03430 171.4247 
1 1 1  -27    7   32 o  1217.43   86.967   23.834   3.2934   22.349   4.6865   25.284   4.6292  1159.32  131.423  1239.28  120.832 -79.95496 178.5282 
1 1 1  -27    7   34 f  949.880  146.579   15.383   4.2194   9.9800   6.4398   19.446   5.5853  727.864  241.842  1052.94  175.589 -325.0743 298.8628 
1 1 1  -27    7   36 o  1186.46  106.473   23.090   3.9135   21.501   4.9584   25.715   6.3731  1123.81  144.236  1210.24  173.106 -86.42859 225.3218 
1 1 1  -27    7   38 o  2534.24  131.403  107.672   10.391  115.271   14.818  100.319   14.577  2537.20  187.851  2346.55  200.303 190.6472 274.6073 
1 1 1  -27    7   40 o  3614.01  106.849  215.429   12.091  225.192   17.171  205.827   17.029  3601.95  152.249  3429.35  158.586 172.6013 219.8387 
1 1 1  -27    7   42 o  1516.60   90.654   37.879   4.2853   36.940   6.1748   38.752   5.9521  1452.55  137.394  1498.12  128.116 -45.57263 187.8580 
1 1 1  -27    7   44 o  2236.35  106.992   85.576   7.4922   86.797   9.2220   83.205   12.850  2195.84  134.775  1975.63  210.978 220.2073 250.3517 
1 1 1  -27    7   46 o  1956.87   91.228   65.446   5.5899   67.046   7.9827   63.907   7.8303  1883.69  136.258  1837.02  137.116 46.67383 193.3053 
1 1 1  -27    7   48 o  2214.92   93.184   86.433   6.4627   83.060   9.0893   89.883   9.1909  2016.94  144.885  2116.13  139.489 -99.19641 201.1194 
1 1 1  -27    7   50 o  2046.68  110.658   80.367   7.0654   76.785   12.135   82.204   8.6903  1443.53  278.559  1954.47  142.992 -510.9495 313.1162 
1 1 1  -27    7   52 f  2315.97  121.960  112.773   8.8132  107.659   14.954  115.495   10.909  1260.12  360.673  2134.08  164.525 -873.9601 396.4265 
1 1 1  -27    7   54 o  445.556  171.475   7.2361   3.3727   6.8621   5.1105   7.5246   4.4890  374.891  175.268  401.605  178.393 -26.71414 250.0863 
1 1 1  -27    7   56 o  2502.54  268.468  347.615   20.709  303.320   35.682  370.113   25.430  ?   ?   1003.56  435.739 0.000000 435.7393 
1 1 1  -27    8    1 o  1346.74   82.029   28.789   3.4426   26.827   5.0034   30.552   4.7442  1287.98  125.662  1379.97  110.726 -91.98499 167.4848 
1 1 1  -27    8    3 o  2218.24   82.288   77.844   5.7156   76.648   8.1530   79.000   8.0150  2185.54  119.589  2220.63  115.668 -35.09351 166.3747 
1 1 1  -27    8    5 o  584.818  133.085   5.7130   2.3823   7.7548   3.2984   3.4865   3.4444  677.641  158.305  492.010  176.227 185.6312 236.8890 
1 1 1  -27    8    7 o  706.869  102.870   8.1138   2.2101   8.8338   3.3518   7.5600   2.9397  725.070  152.467  671.696  144.090 53.37396 209.7813 
1 1 1  -27    8    9 o  1032.25   87.016   17.007   2.7863   20.084   4.2344   14.657   3.7004  1112.28  123.673  946.904  128.090 165.3712 178.0507 
1 1 1  -27    8   11 o  1164.19   86.186   21.599   3.1195   24.420   4.7132   19.400   4.1614  1227.17  124.375  1092.64  123.817 134.5293 175.4988 
1 1 1  -27    8   13 o  1377.81   80.872   30.156   3.4738   32.202   5.0934   28.377   4.7499  1413.40  116.113  1326.45  115.513 86.94519 163.7849 
1 1 1  -27    8   15 o  1315.06   85.056   27.528   3.4837   30.313   5.2177   25.288   4.6794  1368.34  123.095  1249.56  121.116 118.7814 172.6890 
1 1 1  -27    8   17 o  1147.97   86.260   21.019   3.0780   21.427   4.6569   20.703   4.1017  1145.23  132.297  1130.42  117.603 14.81653 177.0111 
1 1 1  -27    8   19 o  420.242  136.071   2.7931   2.0439  -0.8601   3.2874   5.0950   2.6096  345.765  153.170  550.039  148.185 -204.2746 213.1192 
1 1 1  -27    8   21 o  992.966   88.891   15.786   2.7346   16.051   4.0550   15.566   3.7034  987.620  134.634  975.911  123.990 11.70819 183.0298 
1 1 1  -27    8   23 o  665.563  119.792   7.3310   2.4047   5.5165   3.6566   8.7139   3.1921  575.246  181.556  719.081  146.737 -143.8356 233.4403 
1 1 1  -27    8   25 o  738.210  111.551   8.9332   2.4981   13.843   3.7598   5.0529   3.3426  914.199  135.441  550.948  173.555 363.2513 220.1491 
1 1 1  -27    8   27 o  1202.76   86.822   23.147   3.2479   25.622   4.7633   20.998   4.4401  1252.64  123.027  1131.12  127.592 121.5145 177.2440 
1 1 1  -27    8   29 o  1087.71   89.800   19.013   3.0311   20.096   4.5612   18.157   4.0564  1101.25  135.109  1049.89  125.902 51.36829 184.6769 
1 1 1  -27    8   31 o  1911.18   97.923   58.819   5.8404   60.113   7.3233   56.557   9.6806  1917.19  122.633  1822.86  171.623 94.33167 210.9345 
1 1 1  -27    8   33 o  1967.22  119.962   63.394   7.3542   57.964   10.686   68.280   10.137  1821.64  190.138  2005.41  162.835 -183.7710 250.3354 
1 1 1  -27    8   35 o  1543.17   97.263   38.574   4.6757   42.975   5.9014   31.151   7.6636  1617.06  117.349  1325.81  190.037 291.2540 223.3489 
1 1 1  -27    8   37 o  3111.66   97.363  156.799   9.4864  162.661   13.503  151.086   13.331  3116.97  138.347  2998.88  141.964 118.0916 198.2260 
1 1 1  -27    8   39 o  383.780  150.204   1.8040   2.6216  -2.5277   3.9480   5.2205   3.5062  335.915  156.038  542.305  178.364 -206.3901 236.9847 
1 1 1  -27    8   41 o  810.360  119.034   11.229   2.9304   14.744   4.3228   8.2405   3.9861  903.588  158.569  655.440  185.735 248.1478 244.2163 
1 1 1  -27    8   43 o  739.860  134.386   9.8690   2.9986   10.245   4.5595   9.5827   3.9806  700.023  198.743  691.790  181.496 8.232910 269.1461 
1 1 1  -27    8   45 o  983.109  134.094   17.921   4.0202   17.163   4.8114   19.675   7.3177  915.809  174.146  848.768  254.880 67.04102 308.6925 
1 1 1  -27    8   47 o  2033.20  109.267   74.684   6.9309   79.359   12.114   72.409   8.4507  1763.81  224.423  1917.43  141.757 -153.6202 265.4447 
1 1 1  -27    8   49 o  825.250  167.668   15.570   4.1849   13.383   7.6344   16.509   5.0036  544.696  237.601  786.423  202.099 -241.7267 311.9261 
1 1 1  -27    8   51 o  2454.96  122.174  122.937   9.3916  127.396   16.342  120.739   11.476  1585.21  339.472  2226.82  165.771 -641.6086 377.7849 
1 1 1  -27    8   53 o  1532.67   98.607   45.867   4.7072   45.104   6.5538   46.679   6.7652  1322.22  161.663  1332.29  165.750 -10.06909 231.5342 
1 1 1  -27    8   55 o  2274.31  103.427  108.437   7.3655   96.853   10.167  121.230   10.685  1674.95  197.670  2005.85  171.772 -330.8942 261.8757 
1 1 1  -27    8   57 o  600.666  188.278   15.587   3.9392   18.030   6.5533   14.206   4.9292  387.920  186.217  429.324  188.997 -41.40463 265.3232 
1 1 1  -27    9    2 o  1156.84   81.834   21.254   2.9452   21.097   4.2717   21.397   4.0661  1142.96  121.210  1153.11  114.112 -10.15039 166.4733 
1 1 1  -27    9    4 o  266.313  116.356  -0.3470   1.8375  -1.2610   2.9796   0.2139   2.3342  319.222  143.317  320.525  135.391 -1.302338 197.1564 
1 1 1  -27    9    6 o  439.081  145.502   2.9828   2.3316   2.5849   3.0261   3.5642   3.6577  443.741  164.234  502.020  181.385 -58.27850 244.6899 
1 1 1  -27    9    8 o  698.548  109.170   7.9504   2.3098   6.9048   3.4090   8.8378   3.1405  639.202  168.086  728.686  142.745 -89.48401 220.5195 
1 1 1  -27    9   10 o  1075.84   84.888   18.429   2.8364   18.913   4.2531   18.042   3.8065  1078.62  128.452  1056.50  117.031 22.11902 173.7711 
1 1 1  -27    9   12 o  802.266  101.549   10.392   2.4939   14.481   3.9735   7.7350   3.2034  938.411  139.469  677.744  154.395 260.6671 208.0606 
1 1 1  -27    9   14 o  732.060  108.794   8.7228   2.4180   5.9214   4.0113   10.322   3.0305  599.470  190.262  792.902  126.296 -193.4315 228.3646 
1 1 1  -27    9   16 o  1438.56   83.830   32.878   3.7597   28.842   5.6258   36.135   5.0542  1330.73  136.971  1501.29  108.241 -170.5588 174.5770 
1 1 1  -27    9   18 o  1045.00   91.010   17.460   2.9483   16.228   4.4267   18.443   3.9524  990.670  147.178  1066.15  120.509 -75.47815 190.2200 
1 1 1  -27    9   20 o  539.217  131.786   4.8701   2.2063   2.7177   3.2993   6.6110   2.9674  456.945  171.017  625.258  152.847 -168.3135 229.3669 
1 1 1  -27    9   22 o  2614.37   88.856  108.552   7.2740  107.700   10.367  109.378   10.209  2584.36  128.107  2606.17  125.100 -21.80981 179.0572 
1 1 1  -27    9   24 o  574.257  132.722   5.5408   2.3387   8.3598   3.5878   3.4581   3.0839  699.076  166.319  478.448  167.177 220.6278 235.8181 
1 1 1  -27    9   26 o  1554.02   98.636   38.726   4.7748   38.071   5.8616   40.018   8.2316  1530.66  123.345  1543.02  173.373 -12.35718 212.7726 
1 1 1  -27    9   28 o  1343.37   99.539   29.041   4.1572   28.807   5.2635   29.430   6.7782  1326.18  128.357  1320.76  167.676 5.422607 211.1654 
1 1 1  -27    9   30 o  2615.36  103.714  109.972   8.4935  113.430   10.499  103.424   14.448  2638.89  127.063  2457.10  189.246 181.7866 227.9455 
1 1 1  -27    9   32 o  1986.02  118.222   64.310   7.3186   77.512   10.882   53.406   9.8896  2143.33  163.368  1762.18  181.845 381.1532 244.4518 
1 1 1  -27    9   34 o  2021.17   83.899   65.301   5.3098   76.334   7.7599   55.588   7.2813  2163.11  114.980  1836.53  127.405 326.5841 171.6172 
1 1 1  -27    9   36 o  932.476  102.181   14.231   2.9346   17.202   4.5529   12.119   3.8384  1003.36  149.476  838.217  151.833 165.1484 213.0647 
1 1 1  -27    9   38 o  760.696  126.915   9.8281   2.9165   10.311   4.3460   9.4328   3.9339  749.690  186.021  721.628  175.734 28.06238 255.9029 
1 1 1  -27    9   40 o  1197.66   94.145   23.534   3.5021   27.154   5.1148   20.338   4.8053  1260.71  131.502  1079.38  145.916 181.3344 196.4290 
1 1 1  -27    9   42 f  1347.94   92.305   30.115   3.8725   33.000   5.6852   27.618   5.2893  1370.56  134.194  1249.87  137.418 120.6907 192.0728 
1 1 1  -27    9   44 o  1576.81  108.386   43.007   5.3189   34.828   9.2313   47.071   6.5077  1191.76  255.080  1617.78  129.554 -426.0132 286.0941 
1 1 1  -27    9   46 o  535.535  196.246   6.8977   4.3034   12.169   6.1701   1.9047   6.0051  647.045  235.307  426.896  196.198 220.1489 306.3710 
1 1 1  -27    9   48 o  2151.97  111.956   85.585   7.5180   92.789   13.121   82.064   9.1731  1834.50  233.724  1998.64  147.621 -164.1356 276.4393 
1 1 1  -27    9   50 o  988.511  114.481   18.958   3.4779   22.534   4.7485   14.819   5.1082  1002.01  156.458  688.849  214.154 313.1559 265.2188 
1 1 1  -27    9   52 o  1114.81  110.222   24.759   3.7972   27.199   5.2579   22.100   5.4896  1041.16  166.917  837.642  209.762 203.5214 268.0699 
1 1 1  -27    9   54 o  801.674  142.348   15.606   3.4424   15.423   4.8423   15.793   4.8947  602.411  209.542  608.682  210.732 -6.270691 297.1797 
1 1 1  -27    9   56 o  867.852  170.258   23.359   4.4614   18.091   7.2710   26.540   5.6501  400.623  193.261  741.466  224.258 -340.8437 296.0429 
1 1 1  -27   10    1 o  619.832  122.188   6.3370   2.2872  -0.0798   3.4635   11.299   3.0457  377.667  162.388  833.551  120.164 -455.8836 202.0131 
1 1 1  -27   10    3 o  1944.76   82.209   59.744   5.0061   52.828   7.1359   66.446   7.0249  1813.67  126.444  2040.87  110.339 -227.2030 167.8173 
1 1 1  -27   10    5 f  1030.74   86.355   16.914   2.7614   17.780   3.9406   16.078   3.8708  1048.54  122.321  995.136  127.128 53.40265 176.4200 
1 1 1  -27   10    7 o  1643.02   94.185   42.909   4.8253   43.630   6.0157   41.608   8.0805  1650.09  117.191  1593.73  164.277 56.35864 201.7936 
1 1 1  -27   10    9 o  614.933  121.178   6.2404   2.2503   8.3813   3.5515   4.8044   2.9087  705.269  163.934  539.885  160.372 165.3845 229.3326 
1 1 1  -27   10   11 o  794.507  103.852   10.195   2.5218   4.4006   3.7123   15.160   3.4363  535.824  183.632  968.455  115.603 -432.6309 216.9900 
1 1 1  -27   10   13 o  870.378   94.826   12.151   2.5425   14.274   3.8287   10.476   3.4007  933.774  134.853  795.576  141.705 138.1976 195.6159 
1 1 1  -27   10   15 o  499.868  131.661   4.1568   2.0894   8.3377   3.2137   1.0958   2.7499  705.540  150.084  375.134  151.500 330.4065 213.2546 
1 1 1  -27   10   17 o  1369.86   83.466   29.801   3.5631   27.964   5.1584   31.477   4.9275  1314.61  126.891  1399.82  113.393 -85.20313 170.1742 
1 1 1  -27   10   19 o  372.174  135.728   1.8515   2.0549   3.1268   3.3643   1.0926   2.5953  475.536  173.630  366.481  147.471 109.0555 227.8044 
1 1 1  -27   10   21 o  1578.85   85.310   39.618   4.2019   38.082   6.2600   40.877   5.6686  1532.14  131.766  1594.51  114.294 -62.37109 174.4289 
1 1 1  -27   10   23 o  1855.71   82.034   54.568   4.7667   62.434   7.0469   47.934   6.4720  1970.62  114.699  1723.39  120.695 247.2358 166.5025 
1 1 1  -27   10   25 o  783.711  162.167   10.435   3.8483   10.435   3.8483   0.0000   0.0000  783.711  162.167  ?   ?  0.000000 162.1667 
1 1 1  -27   10   27 o  2647.97  102.270  112.200   8.4797  122.626   10.509   92.742   14.356  2755.86  121.779  2332.53  198.446 423.3328 232.8327 
1 1 1  -27   10   29 o  1839.72   97.504   54.285   5.5968   56.582   7.0057   50.232   9.3052  1866.75  120.495  1724.94  174.688 141.8093 212.2146 
1 1 1  -27   10   31 o  2204.65   97.943   77.917   6.7613   85.191   12.142   74.648   8.1402  2244.10  174.159  2141.15  121.919 102.9497 212.5925 
1 1 1  -27   10   33 o  973.330   99.834   15.378   2.9996   8.5191   4.5603   20.608   3.9824  690.668  199.612  1122.16  114.959 -431.4895 230.3489 
1 1 1  -27   10   35 o  2212.90   86.850   78.405   6.0180   76.781   8.6658   79.919   8.3636  2158.08  128.828  2208.03  121.435 -49.94873 177.0398 
1 1 1  -27   10   37 o  1493.17   88.192   35.973   4.1051   35.625   5.7247   36.341   5.8899  1463.66  126.141  1476.64  128.669 -12.97961 180.1869 
1 1 1  -27   10   39 o  1205.71  111.948   24.167   4.1782   29.974   7.3835   21.432   5.0677  1279.51  190.064  1110.31  149.570 169.2057 241.8583 
1 1 1  -27   10   41 o  823.644  141.282   12.061   3.5125   22.041   6.3121   7.5839   4.2276  1066.22  196.297  620.258  195.149 445.9592 276.7953 
1 1 1  -27   10   43 o  2003.85  106.851   68.537   6.6802   67.358   11.783   69.096   8.1094  1778.82  215.975  1969.48  132.266 -190.6641 253.2578 
1 1 1  -27   10   45 o  384.259  159.675   2.0886   3.1666   6.9296   6.3007   0.4526   3.6628  533.599  223.757  356.267  159.497 177.3311 274.7843 
1 1 1  -27   10   47 o  602.602  174.294   8.2354   3.4756   8.7384   4.2477   7.2166   6.0457  588.716  196.453  507.705  216.316 81.01031 292.2092 
1 1 1  -27   10   49 o  311.362  138.735   0.7512   2.7363  -1.0630   3.9083   2.4957   3.8324  312.041  148.116  377.189  166.318 -65.14780 222.7108 
1 1 1  -27   10   51 o  374.865  153.361   3.2765   2.8611   4.3339   4.0151   2.1855   4.0782  399.326  173.264  354.076  162.344 45.25012 237.4358 
1 1 1  -27   10   53 o  2116.46   98.979   86.767   6.5595   78.817   9.1353   95.228   9.4244  1715.66  172.381  1965.95  154.336 -250.2960 231.3761 
1 1 1  -27   10   55 o  505.624  230.704   26.534   8.1044   0.0000   0.0000   26.534   8.1044  ?   ?   505.624  230.704 0.000000 230.7044 
1 1 1  -27   11    2 o  946.127   92.142   14.293   2.6951   12.311   3.8117   16.275   3.8113  864.355  146.037  1002.80  124.022 -138.4451 191.5937 
1 1 1  -27   11    4 o  531.451  129.342   4.6905   2.1320   5.7087   3.1114   3.7893   2.9272  585.400  163.474  493.475  163.007 91.92523 230.8573 
1 1 1  -27   11    6 o  2123.27   82.520   71.188   5.4863   69.737   7.7931   72.614   7.7250  2088.52  119.664  2132.57  116.123 -44.04834 166.7455 
1 1 1  -27   11    8 o  763.852  127.277   9.5572   2.9371   11.562   3.8483   6.7603   4.5456  834.981  152.822  641.591  202.419 193.3901 253.6302 
1 1 1  -27   11   10 o  2654.79   88.265  111.461   7.3373  112.970   10.474  110.007   10.282  2659.00  125.802  2624.18  125.126 34.82056 177.4336 
1 1 1  -27   11   12 o  1398.40   82.702   31.000   3.6052   31.472   5.3291   30.601   4.8955  1398.75  122.921  1381.65  114.179 17.09290 167.7688 
1 1 1  -27   11   14 o  1383.60   82.161   30.353   3.5436   33.149   5.1189   27.780   4.9104  1437.86  114.648  1313.78  120.715 124.0797 166.4823 
1 1 1  -27   11   16 o  194.178   93.703  -2.6647   1.7128  -5.5005   2.6549  -0.6427   2.2418  221.271  108.897  286.871  126.813 -65.60048 167.1526 
1 1 1  -27   11   18 o  366.582  137.365   1.6549   2.1299   8.4975   3.5554  -2.1755   2.6601  709.438  163.416  277.275  128.550 432.1632 207.9180 
1 1 1  -27   11   20 o  2196.27   84.241   76.361   5.7933   81.855   8.3393   71.236   8.0540  2258.97  118.309  2105.01  122.724 153.9561 170.4646 
1 1 1  -27   11   22 o  1438.53   99.051   33.079   4.4345   36.587   5.7930   28.114   6.8916  1504.68  124.060  1297.81  173.965 206.8730 213.6697 
1 1 1  -27   11   24 o  1716.67  124.929   47.661   6.6693   47.661   6.6693   0.0000   0.0000  1716.67  124.929  ?   ?  0.000000 124.9288 
1 1 1  -27   11   26 o  1906.65   98.035   58.119   5.8331   61.426   7.3329   52.420   9.6257  1950.01  120.687  1770.31  175.979 179.7086 213.3865 
1 1 1  -27   11   28 o  3527.82  102.378  199.125   11.309  201.429   16.027  196.841   15.961  3509.61  145.835  3468.26  146.969 41.35303 207.0457 
1 1 1  -27   11   30 o  961.290   95.394   14.900   2.8335   15.197   3.9992   14.602   4.0151  956.507  137.479  935.775  141.441 20.73187 197.2460 
1 1 1  -27   11   32 o  698.385  122.481   8.1224   2.5808   9.9117   3.7624   6.5323   3.5467  758.552  163.240  614.098  175.611 144.4542 239.7640 
1 1 1  -27   11   34 o  2320.20   86.296   86.000   6.2695   89.867   8.9608   82.292   8.7750  2345.39  122.440  2241.76  125.513 103.6326 175.3423 
1 1 1  -27   11   36 o  2549.57   90.942  104.469   7.2602  104.616   10.223  104.319   10.313  2514.62  130.281  2509.58  131.694 5.046875 185.2469 
1 1 1  -27   11   38 o  1662.11  104.541   45.284   5.4131   42.804   9.3657   46.527   6.6332  1529.09  200.437  1666.42  128.102 -137.3347 237.8766 
1 1 1  -27   11   40 o  1841.06  104.303   56.248   5.9882   53.528   10.415   57.591   7.3187  1672.09  203.099  1837.07  128.031 -164.9792 240.0863 
1 1 1  -27   11   42 o  1300.56  115.250   29.080   4.6448   33.562   7.9729   26.778   5.7147  1285.54  204.950  1206.34  154.865 79.19446 256.8805 
1 1 1  -27   11   44 o  2189.09   91.285   80.618   6.2572   83.657   8.7534   77.443   8.9479  2151.14  130.572  2048.51  140.343 102.6213 191.6907 
1 1 1  -27   11   46 o  395.402  154.456   2.8104   2.7680   1.5618   3.7967   4.2272   4.0442  379.506  166.495  453.612  183.539 -74.10590 247.8048 
1 1 1  -27   11   48 o  1281.76  103.582   29.662   4.1217   22.436   5.6709   37.754   6.0012  971.329  193.252  1371.33  141.806 -400.0054 239.6979 
1 1 1  -27   11   50 o  1114.89  131.988   25.321   4.5182   24.013   5.4693   28.134   8.0181  989.595  183.254  834.010  269.451 155.5851 325.8618 
1 1 1  -27   11   52 o  518.087  177.331   7.8807   3.4619   6.0975   4.0631   12.605   6.6132  432.460  180.385  493.625  218.028 -61.16479 282.9750 
1 1 1  -27   11   54 o  1647.42  169.171   74.300   8.6027   51.116   11.786  100.740   12.586  612.058  278.858  1439.58  289.247 -827.5242 401.7779 
1 1 1  -27   12    1 o  660.372  136.695   7.2255   2.7334   3.4927   5.3130   8.5692   3.1877  552.960  214.544  718.274  146.692 -165.3142 259.8995 
1 1 1  -27   12    3 o  432.714  139.990   2.9226   2.1637   6.4875   3.3784   0.4434   2.8173  622.768  168.954  357.958  149.835 264.8107 225.8224 
1 1 1  -27   12    5 o  638.872  126.219   6.7281   2.4354   1.6573   3.7688   10.364   3.1912  443.213  177.934  795.273  132.838 -352.0602 222.0500 
1 1 1  -27   12    7 o  1636.59   81.097   42.264   4.1558   47.212   6.1106   38.007   5.6688  1719.56  114.136  1540.88  118.396 178.6815 164.4529 
1 1 1  -27   12    9 o  1203.09   85.852   22.977   3.2130   21.602   4.7656   24.123   4.3504  1154.80  134.303  1226.45  114.611 -71.64832 176.5585 
1 1 1  -27   12   11 o  522.449  133.845   4.5326   2.1994   1.0151   3.3873   7.0964   2.8919  405.639  166.515  652.514  145.274 -246.8749 220.9794 
1 1 1  -27   12   13 o  1512.73   83.019   36.248   3.9173   40.660   5.7784   32.496   5.3288  1593.71  116.603  1422.68  120.761 171.0265 167.8672 
1 1 1  -27   12   15 o  1175.30  104.272   22.102   3.7976   24.459   4.6789   17.553   6.5009  1231.88  122.941  1012.59  211.839 219.2886 244.9289 
1 1 1  -27   12   17 o  760.070  116.244   9.4130   2.6786   13.700   4.0674   6.1297   3.5596  911.205  147.603  605.907  176.715 305.2976 230.2499 
1 1 1  -27   12   19 o  909.060  101.070   13.285   2.8282   10.584   4.3653   15.240   3.7129  789.001  180.593  968.034  125.443 -179.0333 219.8855 
1 1 1  -27   12   21 o  2315.07   99.374   85.196   7.2037   87.951   8.9114   80.002   12.237  2340.31  122.029  2200.17  179.180 140.1438 216.7868 
1 1 1  -27   12   23 o  977.710  143.581   15.767   4.2647   15.767   4.2647   0.0000   0.0000  977.710  143.581  ?   ?  0.000000 143.5805 
1 1 1  -27   12   25 o  2862.50  107.695  130.921   9.6530  133.232   11.922  126.523   16.448  2872.82  132.533  2748.75  192.312 124.0693 233.5572 
1 1 1  -27   12   27 o  1261.83   91.103   25.446   3.5754   20.484   5.2032   29.885   4.9213  1110.07  153.827  1359.49  116.740 -249.4138 193.1086 
1 1 1  -27   12   29 o  2117.13   84.982   71.211   5.6336   78.312   8.1846   64.818   7.7662  2201.82  119.157  1999.68  124.651 202.1398 172.4421 
1 1 1  -27   12   31 o  2156.66   85.349   73.997   5.7637   75.664   8.2816   72.431   8.0265  2159.26  122.997  2113.21  121.817 46.05273 173.1116 
1 1 1  -27   12   33 o  1788.64   85.810   51.010   4.8059   54.884   6.9677   47.493   6.6375  1834.92  121.964  1704.54  125.237 130.3783 174.8132 
1 1 1  -27   12   35 o  1621.91   86.702   42.209   4.3873   44.844   6.1806   39.533   6.2288  1653.77  120.176  1546.44  129.836 107.3291 176.9166 
1 1 1  -27   12   37 o  837.644  137.826   11.991   3.4892   17.178   6.5003   9.8910   4.1355  949.831  222.468  738.708  180.357 211.1231 286.3920 
1 1 1  -27   12   39 o  1263.13  115.468   26.759   4.5164   31.833   7.8523   24.250   5.5211  1300.31  199.204  1172.73  154.083 127.5851 251.8404 
1 1 1  -27   12   41 o  639.325  172.648   7.8679   3.5373   3.7966   6.1461   9.8845   4.3255  515.261  218.784  703.815  191.275 -188.5542 290.6071 
1 1 1  -27   12   43 o  436.799  159.325   3.4258   2.8318   3.0313   3.7069   3.9785   4.3882  436.743  176.068  475.404  191.596 -38.66107 260.2100 
1 1 1  -27   12   45 o  390.038  156.352   2.4362   2.9053   4.3873   3.8574  -0.1214   4.4165  467.308  182.391  368.900  169.068 98.40884 248.6978 
1 1 1  -27   12   47 o  1903.90  111.247   65.492   6.6032   57.845   7.8752   83.598   12.117  1701.73  149.303  1859.08  211.947 -157.3533 259.2545 
1 1 1  -27   12   49 o  1025.28  143.982   21.640   4.4950   19.486   5.2226   27.794   8.8284  891.527  192.704  809.434  282.857 82.09229 342.2613 
1 1 1  -27   12   51 f  276.697  135.339  -3.0722   3.9082  -3.8955   4.6294  -1.0298   7.2914  288.715  142.417  357.637  176.841 -68.92157 227.0583 
1 1 1  -27   12   53 o  495.849  202.901   10.518   5.0095   3.6509   6.2755   22.579   8.3170  362.987  176.185  550.737  243.816 -187.7498 300.8113 
1 1 1  -27   13    2 o  481.243  166.634   3.4179   3.0605   0.0000   0.0000   3.4179   3.0605  ?   ?   481.243  166.634 0.000000 166.6340 
1 1 1  -27   13    4 o  1276.41  101.718   25.964   4.0316   28.297   7.2534   24.922   4.8498  1308.99  181.879  1244.43  126.208 64.56372 221.3786 
1 1 1  -27   13    6 o  419.247  150.452   2.4191   2.5116   10.446   4.3670  -1.5487   3.0703  787.453  180.912  319.125  144.174 468.3277 231.3338 
1 1 1  -27   13    8 o  1245.85   99.566   24.729   3.8517   26.240   6.7240   23.991   4.6991  1261.93  174.866  1221.02  124.654 40.91077 214.7481 
1 1 1  -27   13   10 o  400.896  144.993   2.1705   2.3381   3.0896   4.2466   1.7706   2.8008  506.809  193.042  404.096  156.053 102.7125 248.2296 
1 1 1  -27   13   12 o  738.761  110.948   8.8542   2.4872   6.9630   3.8004   10.271   3.2895  644.801  180.883  790.245  137.959 -145.4442 227.4893 
1 1 1  -27   13   14 o  334.023  134.014   0.8851   2.1364  -0.5285   3.1969   2.0260   2.8720  351.459  153.519  416.827  158.756 -65.36859 220.8427 
1 1 1  -27   13   16 o  951.741   95.847   14.489   2.8175   10.778   3.9249   18.436   4.0470  802.984  161.694  1068.04  123.276 -265.0589 203.3273 
1 1 1  -27   13   18 o  470.060  151.642   3.4904   2.5402   2.1713   3.2553   5.5445   4.0620  437.586  168.449  587.752  191.918 -150.1655 255.3577 
1 1 1  -27   13   20 o  429.351  155.268   2.5368   2.6810   5.4990   3.5270  -1.5176   4.1263  577.867  177.668  378.225  169.311 199.6415 245.4223 
1 1 1  -27   13   22 o  1114.57  133.029   20.227   4.5509   20.227   4.5509   0.0000   0.0000  1114.57  133.029  ?   ?  0.000000 133.0287 
1 1 1  -27   13   24 o  1302.34   89.046   27.013   3.6095   33.116   5.2402   21.504   4.9789  1433.96  117.746  1145.74  141.809 288.2144 184.3205 
1 1 1  -27   13   26 o  2838.17   92.596  127.970   8.2290  125.583   11.716  130.295   11.561  2789.44  134.135  2843.98  129.820 -54.54565 186.6692 
1 1 1  -27   13   28 o  1987.31   85.000   62.655   5.2893   61.463   7.5908   63.780   7.3744  1949.87  124.984  1989.35  118.931 -39.48340 172.5273 
1 1 1  -27   13   30 f  1675.94   98.894   44.989   5.1668   48.824   9.1687   43.205   6.2544  1707.34  173.931  1632.13  123.291 75.21960 213.1966 
1 1 1  -27   13   32 o  1351.29   91.152   29.258   3.8343   26.256   5.6491   31.822   5.2211  1257.30  146.222  1397.90  120.457 -140.5924 189.4485 
1 1 1  -27   13   34 o  1303.38  110.085   27.651   4.4507   21.212   7.9982   30.539   5.3567  1063.52  245.195  1361.79  127.093 -298.2682 276.1757 
1 1 1  -27   13   36 o  628.414  166.697   7.0126   3.3340   5.5086   6.1177   7.6480   3.9764  594.731  230.367  650.529  185.916 -55.79840 296.0304 
1 1 1  -27   13   38 o  1236.88   97.309   25.094   3.7383   25.363   5.3595   24.840   5.2169  1211.92  144.055  1201.24  141.403 10.67578 201.8579 
1 1 1  -27   13   40 o  1285.70   99.423   27.476   3.9715   27.263   5.5233   27.703   5.7147  1241.95  144.744  1247.67  149.239 -5.714844 207.9013 
1 1 1  -27   13   42 o  3089.51  154.076  174.958   14.905  177.861   21.209  172.126   20.952  2828.71  241.778  2777.48  243.361 51.22437 343.0472 
1 1 1  -27   13   44 o  1210.98  120.642   26.066   4.5137   20.247   5.5088   37.955   7.8737  993.820  183.793  1352.17  191.303 -358.3547 265.2857 
1 1 1  -27   13   46 o  551.316  205.034   7.4699   4.7277   4.1233   5.9880   13.009   7.7035  467.652  206.964  631.377  254.067 -163.7248 327.6956 
1 1 1  -27   13   48 o  436.039  184.485   4.1021   4.3452   3.2898   5.2454   5.8787   7.7570  424.623  190.430  473.554  219.538 -48.93103 290.6211 
1 1 1  -27   13   50 o  440.106  191.720   5.3351   4.9558   10.629   6.1839  -4.1689   8.2854  532.612  222.381  362.668  180.850 169.9444 286.6358 
1 1 1  -27   13   52 o  1692.58  155.871   66.644   8.1681   55.513   10.803   81.500   12.481  1063.34  307.204  1392.35  295.420 -329.0031 426.2010 
1 1 1  -27   14    1 o  541.544  161.976   4.7841   2.9596   8.1859   5.1003   3.0571   3.6341  702.015  213.233  485.675  179.932 216.3401 279.0057 
1 1 1  -27   14    3 o  692.524  162.745   8.0182   3.4693   0.0000   0.0000   8.0182   3.4693  ?   ?   692.524  162.745 0.000000 162.7446 
1 1 1  -27   14    5 o  1130.41  109.120   20.441   3.8144   24.122   6.7928   18.746   4.6098  1206.73  185.728  1074.45  140.373 132.2823 232.8079 
1 1 1  -27   14    7 o  316.267  136.878  -0.2676   2.4931  -6.8657   4.8938   2.0450   2.8973  334.519  160.672  419.490  159.530 -84.97150 226.4186 
1 1 1  -27   14    9 o  1560.27   97.961   38.662   4.7617   37.925   8.2961   39.024   5.8149  1521.11  177.518  1562.16  119.789 -41.05408 214.1541 
1 1 1  -27   14   11 o  309.656  132.800  -0.0810   2.3057  -0.4599   3.4918   0.2119   3.0701  370.326  161.131  365.378  154.857 4.947937 223.4808 
1 1 1  -27   14   13 o  359.410  151.679   0.2881   2.9253   0.9363   3.8575  -0.5891   4.4877  426.172  176.593  417.866  182.225 8.306152 253.7538 
1 1 1  -27   14   15 o  827.151  151.023   11.320   3.7674   9.9980   5.5270   12.467   5.1488  766.727  219.211  856.981  196.118 -90.25415 294.1355 
1 1 1  -27   14   17 o  1744.93  116.131   48.672   6.3089   65.559   9.0000   32.358   8.8463  2015.94  143.514  1386.97  210.289 628.9685 254.5933 
1 1 1  -27   14   19 o  1454.59  119.401   33.954   5.3903   34.397   7.6384   33.515   7.6079  1445.60  172.131  1425.96  173.997 19.64307 244.7527 
1 1 1  -27   14   21 o  1276.51  102.838   26.041   4.0756   15.963   7.1501   30.892   4.9604  955.073  239.517  1387.57  115.209 -432.5016 265.7850 
1 1 1  -27   14   23 o  1226.11  105.713   24.086   4.0189   17.720   6.9715   27.256   4.9184  1009.54  226.151  1300.02  122.262 -290.4808 257.0844 
1 1 1  -27   14   25 o  2852.53  108.048  129.687   9.6508  133.570   16.851  127.792   11.773  2836.97  190.806  2818.58  133.392 18.38843 232.8093 
1 1 1  -27   14   27 o  405.534  152.686   2.0442   2.6376   7.2980   4.8773  -0.1275   3.1357  659.644  209.842  356.942  153.995 302.7022 260.2847 
1 1 1  -27   14   29 o  329.560  141.734  -0.0519   2.6395   5.0275   4.8461  -2.1942   3.1473  578.611  208.826  307.357  141.547 271.2540 252.2774 
1 1 1  -27   14   31 o  2526.75  128.187  103.702   10.109   0.0000   0.0000  103.702   10.109  ?   ?   2526.75  128.187 0.000000 128.1870 
1 1 1  -27   14   33 o  2374.89  128.666   92.290   9.5324   0.0000   0.0000   92.290   9.5324  ?   ?   2374.89  128.666 0.000000 128.6664 
1 1 1  -27   14   35 f  1525.46  102.269   37.821   4.8567   35.439   8.1315   39.141   6.0554  1417.45  187.834  1536.99  126.958 -119.5393 226.7154 
1 1 1  -27   14   37 o  731.215  185.055   9.8858   4.2407   12.091   5.4465   6.4908   6.7580  791.460  214.440  616.693  241.218 174.7675 322.7552 
1 1 1  -27   14   39 o  717.430  181.018   9.7530   4.0664   4.2841   5.2549   17.916   6.4199  524.505  210.270  942.667  221.287 -418.1622 305.2567 
1 1 1  -27   14   41 o  910.416  170.090   15.651   4.6705   6.9629   5.9715   29.341   7.4955  585.345  227.357  1209.48  205.255 -624.1335 306.3017 
1 1 1  -27   14   43 o  556.252  226.949   6.5998   6.2442   0.0000   0.0000   6.5998   6.2442  ?   ?   556.252  226.949 0.000000 226.9494 
1 1 1  -27   14   45 o  458.009  187.259   3.8808   4.2624   1.7966   5.8873   6.1769   6.1791  438.350  198.694  523.521  220.665 -85.17090 296.9383 
1 1 1  -27   14   47 o  1659.09  147.378   54.082   7.5766   52.625   10.415   55.720   11.043  1421.09  242.766  1432.60  255.544 -11.51062 352.4742 
1 1 1  -27   14   49 o  2443.09  149.023  122.892   11.346   94.561   15.584  154.847   16.550  1562.37  328.944  2426.36  220.237 -863.9912 395.8640 
1 1 1  -27   14   51 o  350.957  161.087   1.5229   4.0300   0.3139   5.0267   3.6982   6.7427  348.179  166.036  403.744  192.469 -55.56509 254.1901 
1 1 1  -27   15    2 o  609.021  142.125   6.1542   2.6608   4.0120   3.6877   8.4809   3.8432  523.721  182.822  711.627  173.939 -187.9061 252.3461 
1 1 1  -27   15    4 o  956.647  127.532   14.803   3.7251   10.124   6.6411   16.951   4.4995  780.537  244.432  1020.41  144.893 -239.8779 284.1491 
1 1 1  -27   15    6 f  580.413  140.956   5.5895   2.5362   7.2380   3.4003   3.5222   3.8077  658.376  165.206  508.785  184.878 149.5907 247.9380 
1 1 1  -27   15    8 o  1025.43  101.118   16.789   3.2045   9.9875   4.5441   23.518   4.5197  769.992  189.707  1210.96  120.810 -440.9655 224.9086 
1 1 1  -27   15   10 o  923.844  122.511   13.795   3.4566   14.796   4.1666   11.584   6.1904  951.913  144.312  825.005  230.652 126.9086 272.0776 
1 1 1  -27   15   12 f  917.199  150.488   13.812   4.1720   17.407   5.7719   9.8786   6.0373  1021.15  187.423  767.122  231.770 254.0246 298.0684 
1 1 1  -27   15   14 o  576.867  181.063   5.3720   3.6417   6.0530   5.0319   4.6229   5.2773  626.164  213.796  586.065  216.887 40.09888 304.5468 
1 1 1  -27   15   16 o  2078.78  122.162   69.023   7.9168   79.368   11.055   58.132   11.343  2214.16  160.541  1877.80  195.787 336.3649 253.1919 
1 1 1  -27   15   18 o  1072.69  114.312   18.489   3.7805   18.698   6.4031   18.378   4.6840  1052.39  201.651  1061.38  144.710 -8.986328 248.2017 
1 1 1  -27   15   20 o  1774.76   97.660   50.041   5.4063   52.101   9.2150   48.959   6.6759  1786.88  166.617  1748.10  122.741 38.77954 206.9461 
1 1 1  -27   15   22 o  2482.89  101.632   97.816   7.9014   89.343   13.591  102.143   9.7114  2329.27  187.940  2529.56  122.608 -200.2930 224.3970 
1 1 1  -27   15   24 o  1845.55   98.060   54.189   5.6464   57.067   9.9704   52.830   6.8509  1863.68  172.820  1814.57  121.273 49.10730 211.1249 
1 1 1  -27   15   26 o  1708.52   99.529   46.545   5.3015   53.179   8.9876   43.005   6.5654  1801.19  161.055  1631.74  129.562 169.4457 206.7005 
1 1 1  -27   15   28 o  1176.79  134.152   22.615   4.8549   0.0000   0.0000   22.615   4.8549  ?   ?   1176.79  134.152 0.000000 134.1523 
1 1 1  -27   15   30 o  1873.14  179.344   58.917   10.390   0.0000   0.0000   58.917   10.390  ?   ?   1873.14  179.344 0.000000 179.3440 
1 1 1  -27   15   32 o  1633.36  125.936   43.629   6.3912   46.602   8.8035   40.315   9.2935  1658.83  171.986  1522.35  199.786 136.4847 263.6160 
1 1 1  -27   15   34 o  1691.45  124.106   47.134   6.5272   42.007   8.9518   52.954   9.5378  1547.63  188.628  1750.65  176.397 -203.0201 258.2563 
1 1 1  -27   15   36 o  1303.89  139.052   28.850   5.5896   21.779   7.7194   36.644   8.1046  1054.27  239.311  1430.79  185.248 -376.5245 302.6328 
1 1 1  -27   15   38 o  783.044  188.976   11.589   4.5805   14.566   6.2960   8.2427   6.6763  845.261  231.204  648.708  243.178 196.5531 335.5452 
1 1 1  -27   15   40 o  564.536  201.765   6.1059   4.5127   11.550   5.8463  -1.9198   7.0983  735.065  229.199  448.459  208.620 286.6061 309.9265 
1 1 1  -27   15   42 o  1095.88  153.097   22.099   5.1100   21.376   6.7750   23.052   7.7827  998.387  222.414  999.417  249.475 -1.029358 334.2242 
1 1 1  -27   15   44 f  734.290  191.845   11.444   4.4596   8.8756   5.7834   15.211   7.0040  608.230  226.661  760.777  252.187 -152.5466 339.0773 
1 1 1  -27   15   46 o  764.968  207.027   13.666   5.0798   13.066   6.8492   14.400   7.5731  669.165  247.197  680.461  258.125 -11.29626 357.4001 
1 1 1  -27   15   48 o  1652.95  147.177   54.350   7.5379   52.170   10.051   57.153   11.396  1415.25  235.042  1394.07  270.833 21.17859 358.6022 
1 1 1  -27   15   50 o  1154.27  166.535   29.606   5.8449   24.741   7.6803   36.302   9.0100  824.620  263.432  1012.07  276.480 -187.4454 381.8868 
1 1 1  -27   16    1 o  635.587  143.193   6.6912   2.7814   6.0268   3.8442   7.4212   4.0293  608.479  185.192  667.841  185.864 -59.36298 262.3769 
1 1 1  -27   16    3 o  669.537  138.259   7.3937   2.8026   4.2006   3.8610   10.950   4.0745  536.205  187.075  812.219  165.819 -276.0133 249.9862 
1 1 1  -27   16    5 f  680.849  162.811   7.7224   3.4241   12.439   6.3165   5.7596   4.0748  855.921  230.529  600.915  191.871 255.0056 299.9301 
1 1 1  -27   16    7 f  908.291  124.480   13.334   3.4472   14.484   4.3087   11.288   5.7458  940.831  151.394  816.902  219.804 123.9295 266.8973 
1 1 1  -27   16    9 o  385.210  156.253   1.0335   2.9390   0.6543   3.3154   2.4246   6.3505  392.685  163.298  563.165  229.219 -170.4804 281.4383 
1 1 1  -27   16   11 o  1604.19  100.342   40.834   5.0150   39.161   6.0545   44.490   8.9510  1565.19  124.566  1652.95  175.630 -87.76306 215.3198 
1 1 1  -27   16   13 o  840.118  135.544   11.519   3.4443   12.081   3.9980   9.9024   6.7831  856.019  154.859  775.116  247.562 80.90302 292.0076 
1 1 1  -27   16   15 o  803.425  120.942   10.474   2.9483   9.2532   4.2306   11.627   4.1109  741.932  183.198  837.176  162.681 -95.24426 245.0034 
1 1 1  -27   16   17 o  366.793  144.657   1.2491   2.4481   5.5426   3.2711  -4.2174   3.6910  580.206  169.458  306.148  144.916 274.0572 222.9720 
1 1 1  -27   16   19 o  1062.58  102.777   18.046   3.3769   19.361   4.8634   16.822   4.6924  1090.11  146.158  1013.05  152.667 77.06134 211.3513 
1 1 1  -27   16   21 o  935.340  112.429   14.094   3.2268   14.042   4.5770   14.144   4.5500  919.513  165.030  923.406  163.338 -3.893311 232.1945 
1 1 1  -27   16   23 o  1843.27  102.661   54.082   5.9018   55.910   7.3302   50.713   9.9508  1866.54  126.159  1753.33  183.992 113.2131 223.0905 
1 1 1  -27   16   25 o  1893.39  125.623   57.638   7.4055   57.227   10.759   58.009   10.208  1857.27  187.577  1876.35  175.799 -19.07935 257.0804 
1 1 1  -27   16   27 o  944.318  213.551   15.522   6.1665   0.0000   0.0000   15.522   6.1665  ?   ?   944.318  213.551 0.000000 213.5510 
1 1 1  -27   16   29 o  869.747  165.560   12.831   4.3441   12.828   6.3529   12.834   5.9536  846.479  232.540  849.773  221.491 -3.294128 321.1439 
1 1 1  -27   16   31 o  1268.57  190.030   27.803   7.3160   27.803   7.3160   0.0000   0.0000  1268.57  190.030  ?   ?  0.000000 190.0301 
1 1 1  -27   16   33 o  798.542  193.411   11.462   4.7849   11.545   6.2386   11.343   7.4568  784.532  235.282  773.814  260.281 10.71820 350.8613 
1 1 1  -27   16   35 o  1267.88  144.591   27.327   5.6376   27.310   7.8466   27.344   8.1053  1214.01  214.249  1207.57  222.556 6.434937 308.9234 
1 1 1  -27   16   37 o  815.841  194.917   12.526   4.9112   15.834   6.4187   7.8539   7.6277  892.840  228.605  652.284  255.949 240.5559 343.1768 
1 1 1  -27   16   39 o  716.285  202.374   10.115   4.7395   3.6473   6.3528   18.235   7.1177  529.476  223.490  928.705  242.235 -399.2286 329.5834 
1 1 1  -27   16   41 o  741.682  201.083   11.187   4.7873   12.676   6.0259   8.6386   7.8824  759.724  232.004  630.842  255.892 128.8817 345.4078 
1 1 1  -27   16   43 o  568.552  208.401   6.8283   4.8535   7.2330   6.1905   6.1826   7.8188  577.020  229.249  560.881  242.572 16.13849 333.7611 
1 1 1  -27   16   45 o  711.065  214.003   11.769   5.1545   5.4369   6.6374   21.390   8.1816  518.594  223.891  872.263  271.002 -353.6695 351.5237 
1 1 1  -27   16   47 o  816.391  216.612   16.283   5.6287   17.560   7.2828   14.390   8.8703  760.781  257.219  632.667  265.406 128.1130 369.5973 
1 1 1  -27   16   49 o  864.960  203.521   18.419   5.4202   15.867   6.7799   22.937   9.0226  685.957  247.081  734.841  281.028 -48.88422 374.2001 
1 1 1  -27   17    2 o  875.214  126.603   12.401   3.3687   13.532   4.2373   10.460   5.5536  908.351  154.510  788.557  217.747 119.7938 266.9965 
1 1 1  -27   17    4 o  419.716  156.421   2.1746   2.7545   3.9466   3.6387  -0.2035   4.2154  520.927  181.618  415.609  178.930 105.3183 254.9524 
1 1 1  -27   17    6 o  660.590  173.732   7.2621   3.6416   9.3705   4.0991  -0.6319   7.9317  749.008  177.495  558.852  243.003 190.1564 300.9234 
1 1 1  -27   17    8 o  954.820  139.184   14.801   4.0389   14.095   4.6002   17.179   8.4375  924.984  164.874  999.404  265.223 -74.42047 312.2922 
1 1 1  -27   17   10 o  1159.65  122.851   21.564   4.3930   19.403   5.0750   28.024   8.7734  1092.16  152.565  1292.97  224.867 -200.8141 271.7371 
1 1 1  -27   17   12 o  723.339  168.967   8.7281   3.7579   5.6626   4.3022   18.595   7.7185  601.110  197.571  1043.34  241.101 -442.2263 311.7117 
1 1 1  -27   17   14 o  2261.05   88.690   80.633   6.2791   78.574   8.8306   82.739   8.9304  2219.78  127.582  2278.65  125.648 -58.86523 179.0664 
1 1 1  -27   17   16 o  498.458  173.439   3.6307   3.3176   6.2425   3.9150  -3.0219   6.2483  617.524  186.654  453.023  205.078 164.5012 277.3031 
1 1 1  -27   17   18 o  479.167  175.689   3.0456   3.4497   4.4656   3.9945  -1.1217   6.8429  548.292  190.339  508.167  223.217 40.12527 293.3509 
1 1 1  -27   17   20 o  368.130  161.779  -0.7830   3.5981  -0.7830   3.5981   0.0000   0.0000  368.130  161.779  ?   ?  0.000000 161.7789 
1 1 1  -27   17   22 o  1280.29  149.810   26.704   5.8922   24.259   8.2345   29.269   8.4347  1189.62  229.376  1317.33  211.651 -127.7101 312.1045 
1 1 1  -27   17   24 o  703.393  201.335   8.4070   4.6596   8.0815   6.6195   8.7268   6.5602  710.034  245.108  728.373  244.136 -18.33942 345.9481 
1 1 1  -27   17   26 o  551.650  188.527   4.7486   3.9128   6.4688   4.9528   1.8925   6.3820  631.763  212.126  542.447  226.152 89.31519 310.0683 
1 1 1  -27   17   28 o  1613.82  105.625   41.823   5.3081   41.078   6.5791   43.211   8.9844  1587.54  133.591  1602.20  182.331 -14.65942 226.0336 
1 1 1  -27   17   30 o  2079.17  100.759   69.278   6.5598   73.209   8.0763   61.656   11.245  2122.85  122.012  1897.77  191.875 225.0842 227.3832 
1 1 1  -27   17   32 o  1306.31  118.303   27.960   4.7865   32.884   5.6276   15.079   9.1015  1411.88  128.708  873.408  287.381 538.4700 314.8865 
1 1 1  -27   17   34 o  951.861  137.623   15.330   3.9828   17.297   4.6958   10.287   7.5183  1002.89  154.494  734.933  260.665 267.9608 303.0096 
1 1 1  -27   17   36 o  664.309  200.533   8.2460   4.5210   5.5322   5.6136   13.255   7.6270  579.713  221.677  800.344  263.060 -220.6318 344.0073 
1 1 1  -27   17   38 o  940.068  142.319   15.388   4.0582   16.083   4.7748   13.579   7.7020  943.901  167.696  789.268  264.529 154.6332 313.2054 
1 1 1  -27   17   40 o  669.206  175.351   8.4999   3.7187   5.8153   4.3682   15.568   7.0876  556.613  198.553  837.853  250.671 -281.2398 319.7798 
1 1 1  -27   17   42 o  606.509  192.867   7.4278   4.1204   11.147   4.8024  -2.9496   8.0218  734.860  202.305  450.547  213.375 284.3129 294.0342 
1 1 1  -27   17   44 o  1156.76  189.246   26.998   6.6176   14.585   9.1345   40.709   9.6002  704.922  278.977  1344.31  236.713 -639.3875 365.8703 
1 1 1  -27   17   46 o  1387.05  128.251   34.970   5.5071   38.937   6.4862   24.725   10.424  1434.82  146.421  825.858  304.985 608.9628 338.3119 
1 1 1  -27   18    1 o  1329.13  109.020   28.138   4.4973   24.277   5.5706   35.362   7.6211  1224.71  148.283  1475.35  167.964 -250.6338 224.0534 
1 1 1  -27   18    3 o  743.464  184.686   9.2531   4.2802   9.2531   4.2802   0.0000   0.0000  743.464  184.686  ?   ?  0.000000 184.6857 
1 1 1  -27   18    5 o  897.234  172.642   13.332   4.6742   13.332   4.6742   0.0000   0.0000  897.234  172.642  ?   ?  0.000000 172.6417 
1 1 1  -27   18    7 o  1346.75  139.668   29.162   5.8041   29.162   5.8041   0.0000   0.0000  1346.75  139.668  ?   ?  0.000000 139.6680 
1 1 1  -27   18    9 o  586.756  194.692   5.3336   4.1741   5.3336   4.1741   0.0000   0.0000  586.756  194.692  ?   ?  0.000000 194.6921 
1 1 1  -27   18   11 o  843.900  174.057   11.842   4.4466   11.842   4.4466   0.0000   0.0000  843.900  174.057  ?   ?  0.000000 174.0565 
1 1 1  -27   18   13 o  689.232  169.937   7.9282   3.6443   7.7410   3.9928   8.8625   8.9195  681.092  183.217  778.531  282.949 -97.43945 337.0884 
1 1 1  -27   18   15 o  798.526  169.530   10.624   4.1078   11.084   4.5780   8.7253   9.3058  812.953  184.118  780.487  288.173 32.46613 341.9697 
1 1 1  -27   18   17 o  594.750  181.748   5.7647   3.6973   7.5839   4.2265  -0.1654   7.6309  674.171  191.328  553.816  239.578 120.3549 306.6010 
1 1 1  -27   18   19 o  1546.04  198.071   39.599   9.3682   39.599   9.3682   0.0000   0.0000  1546.04  198.071  ?   ?  0.000000 198.0711 
1 1 1  -27   18   21 o  668.290  212.360   7.3411   4.9961   3.9563   6.8110   11.284   7.3508  608.100  240.822  814.692  257.451 -206.5916 352.5283 
1 1 1  -27   18   23 o  1025.62  125.262   17.065   3.9392   16.668   4.6583   18.061   7.3796  1005.11  152.828  1016.52  236.327 -11.40826 281.4373 
1 1 1  -27   18   25 o  2502.98  129.197  101.010   10.091   87.993   13.985  115.149   14.575  2292.33  196.748  2639.79  177.360 -347.4575 264.8890 
1 1 1  -27   18   27 o  1417.40  112.578   32.402   4.9553   34.406   5.8799   27.490   9.2055  1453.65  130.573  1239.41  245.880 214.2393 278.3999 
1 1 1  -27   18   29 f  1175.30  125.174   22.611   4.5357   26.740   5.5247   14.073   7.9443  1272.00  141.085  868.977  266.559 403.0257 301.5933 
1 1 1  -27   18   31 o  1453.79  110.543   34.335   4.9944   29.991   5.8906   45.442   9.4196  1342.28  142.323  1620.90  189.149 -278.6210 236.7133 
1 1 1  -27   18   33 o  437.383  173.001   2.1973   3.5110   2.7800   3.9885   0.1915   7.4000  472.038  185.126  520.957  230.339 -48.91943 295.5126 
1 1 1  -27   18   35 o  423.937  170.870   1.9060   3.4905   2.9817   3.9449  -1.9736   7.4916  473.051  184.499  483.903  221.189 -10.85220 288.0353 
1 1 1  -27   18   37 o  1075.54  141.156   19.877   4.6390   19.862   5.5832   19.910   8.3370  1050.73  175.917  970.826  266.260 79.90399 319.1254 
1 1 1  -27   18   39 o  1000.18  146.380   17.563   4.4487   17.908   5.1046   16.474   9.0718  991.924  170.493  836.603  287.046 155.3209 333.8609 
1 1 1  -27   18   41 o  545.825  186.228   5.6242   3.8178   6.5532   4.2971   2.1426   8.3190  580.225  197.573  530.422  238.689 49.80322 309.8505 
1 1 1  -27   18   43 o  608.774  195.963   7.6171   4.2439   4.9880   4.8583   16.084   8.7184  519.677  204.155  773.727  279.965 -254.0504 346.4957 
1 1 1  -27   18   45 o  459.533  202.505   2.5229   5.6731  -0.2336   7.5378   6.1240   8.6156  452.783  212.057  550.318  245.620 -97.53528 324.4957 
1 1 1  -27   19    2 o  531.220  186.833   4.0853   3.8547   5.6191   4.1675  -4.9952   10.141  596.471  194.377  568.799  258.961 27.67175 323.7950 
1 1 1  -27   19    4 o  1041.68  144.120   17.622   4.5749   16.079   5.1305   23.614   10.108  986.693  172.329  1164.89  280.474 -178.1922 329.1859 
1 1 1  -27   19    6 o  715.933  191.653   8.5791   4.3816   8.5791   4.3816   0.0000   0.0000  715.933  191.653  ?   ?  0.000000 191.6534 
1 1 1  -27   19    8 o  436.953  178.740   1.2079   3.8858   1.2079   3.8858   0.0000   0.0000  436.953  178.740  ?   ?  0.000000 178.7399 
1 1 1  -27   19   10 o  768.514  181.442   9.8917   4.2963   9.8917   4.2963   0.0000   0.0000  768.514  181.442  ?   ?  0.000000 181.4423 
1 1 1  -27   19   12 o  570.699  195.237   4.9163   4.1963   4.9163   4.1963   0.0000   0.0000  570.699  195.237  ?   ?  0.000000 195.2371 
1 1 1  -27   19   14 o  335.204  164.842 -12.1502   6.0446 -12.1502   6.0446   0.0000   0.0000  335.204  164.842  ?   ?  0.000000 164.8420 
1 1 1  -27   19   16 f  733.193  255.848   8.3322   7.2217   8.3322   7.2217   0.0000   0.0000  733.193  255.848  ?   ?  0.000000 255.8478 
1 1 1  -27   19   18 o  1546.58  202.347   39.784   9.5641   39.784   9.5641   0.0000   0.0000  1546.58  202.347  ?   ?  0.000000 202.3468 
1 1 1  -27   19   20 o  1117.28  151.694   20.452   5.1697   20.452   5.1697   0.0000   0.0000  1117.28  151.694  ?   ?  0.000000 151.6940 
1 1 1  -27   19   22 o  785.724  186.698   10.527   4.5255   10.527   4.5255   0.0000   0.0000  785.724  186.698  ?   ?  0.000000 186.6981 
1 1 1  -27   19   24 o  639.949  179.805   6.9512   3.7522   5.8907   4.3029   10.317   7.6656  601.620  197.580  779.296  263.890 -177.6758 329.6601 
1 1 1  -27   19   26 o  1096.11  138.977   19.762   4.6628   17.746   5.5336   24.699   8.6591  1021.82  179.498  1176.00  243.181 -154.1798 302.2523 
1 1 1  -27   19   28 o  811.216  159.683   11.190   3.9117   10.083   4.6380   13.917   7.2805  758.247  194.424  870.666  252.385 -112.4193 318.5886 
1 1 1  -27   19   30 o  1005.34  136.352   16.803   4.1816   16.810   4.8423   16.784   8.2927  994.654  160.974  937.715  268.648 56.93890 313.1845 
1 1 1  -27   19   32 o  852.962  155.254   12.469   3.9938   11.374   4.7141   15.254   7.5174  797.855  191.195  890.894  255.943 -93.03888 319.4716 
1 1 1  -27   19   34 o  670.343  184.420   8.0834   3.9923   8.6005   4.5841   6.4593   8.1237  686.448  200.637  651.129  261.296 35.31964 329.4401 
1 1 1  -27   19   36 o  261.497  128.694  -7.0742   3.7081  -7.1429   4.2553  -6.8574   7.5585  288.959  141.312  425.150  202.979 -136.1902 247.3250 
1 1 1  -27   19   38 o  1886.01  114.370   59.071   6.7223   60.284   7.9984   56.152   12.405  1882.71  136.606  1684.46  242.158 198.2561 278.0316 
1 1 1  -27   19   40 o  606.358  196.882   7.0500   4.2770   9.1754   4.8173  -0.8640   9.2956  680.778  207.334  521.035  241.117 159.7426 318.0014 
1 1 1  -27   19   42 o  669.773  195.684   8.9897   4.3614   10.135   5.0025   5.3621   8.9045  699.427  210.897  581.946  255.151 117.4808 331.0282 
1 1 1  -27   19   44 o  1752.01  123.012   53.520   6.7056   53.409   7.9282   53.800   12.569  1709.48  149.620  1479.96  281.512 229.5182 318.8028 
1 1 1  -27   20    1 o  890.935  159.754   13.122   4.2930   14.193   4.6791   7.4202   10.793  925.236  167.682  777.201  304.603 148.0355 347.7068 
1 1 1  -27   20    3 o  763.042  184.660   9.7952   4.3644   12.594   4.7292  -6.2786   11.333  867.689  179.965  589.576  270.433 278.1134 324.8410 
1 1 1  -27   20    5 o  665.116  186.673   7.3742   4.0466   8.3214   4.4355   2.6721   9.8825  704.668  194.601  671.959  280.892 32.70898 341.7156 
1 1 1  -27   20    7 o  721.486  234.091   8.4382   6.0469   8.7028   7.5973   7.9808   9.9884  750.886  262.396  775.804  295.926 -24.91742 395.5044 
1 1 1  -27   20    9 o  460.705  182.631   1.9705   3.9208   4.7281   4.2938 -11.8608   9.6164  565.646  197.287  477.618  228.284 88.02771 301.7217 
1 1 1  -27   20   11 o  697.630  232.864   7.7378   5.9682   4.1894   7.5519   13.640   9.7401  637.964  253.286  901.557  297.323 -263.5931 390.5822 
1 1 1  -27   20   13 o  390.794  182.085  -4.6841   5.4420  -5.0441   6.8878  -4.0859   8.8778  449.167  207.751  536.617  243.533 -87.45050 320.1079 
1 1 1  -27   20   15 o  860.077  261.977   12.663   7.6906   12.663   7.6906   0.0000   0.0000  860.077  261.977  ?   ?  0.000000 261.9765 
1 1 1  -27   20   17 o  540.716  198.723   3.9754   4.4173   3.9754   4.4173   0.0000   0.0000  540.716  198.723  ?   ?  0.000000 198.7232 
1 1 1  -27   20   19 o  870.037  181.022   12.772   4.7710   12.772   4.7710   0.0000   0.0000  870.037  181.022  ?   ?  0.000000 181.0216 
1 1 1  -27   20   21 o  452.003  181.464   1.7975   3.9199   1.7975   3.9199   0.0000   0.0000  452.003  181.464  ?   ?  0.000000 181.4644 
1 1 1  -27   20   23 o  557.690  202.927   4.4787   4.5898   4.4787   4.5898   0.0000   0.0000  557.690  202.927  ?   ?  0.000000 202.9270 
1 1 1  -27   20   25 o  1263.79  145.549   26.255   5.6545   26.255   5.6545   0.0000   0.0000  1263.79  145.549  ?   ?  0.000000 145.5491 
1 1 1  -27   20   27 o  834.382  185.385   12.048   4.7177   12.048   4.7177   0.0000   0.0000  834.382  185.385  ?   ?  0.000000 185.3850 
1 1 1  -27   20   29 o  1086.56  164.013   19.962   5.4065   19.962   5.4065   0.0000   0.0000  1086.56  164.013  ?   ?  0.000000 164.0132 
1 1 1  -27   20   31 o  1003.58  170.765   17.316   5.1740   17.316   5.1740   0.0000   0.0000  1003.58  170.765  ?   ?  0.000000 170.7649 
1 1 1  -27   20   33 o  852.821  190.399   12.998   4.9557   12.998   4.9557   0.0000   0.0000  852.821  190.399  ?   ?  0.000000 190.3992 
1 1 1  -27   20   35 o  335.055  158.617  -4.2839   4.4244  -4.2839   4.4244   0.0000   0.0000  335.055  158.617  ?   ?  0.000000 158.6170 
1 1 1  -27   20   37 o  1440.15  125.455   34.671   5.6008   43.727   6.5413   9.7932   10.842  1614.25  130.531  724.962  297.785 889.2843 325.1374 
1 1 1  -27   20   39 o  537.293  191.845   5.0323   4.0789   2.0241   4.5824   16.510   8.9508  457.197  191.208  853.526  285.175 -396.3290 343.3443 
1 1 1  -27   20   41 o  418.581  181.809   0.8799   4.4302   3.0494   5.0639  -6.1979   9.1462  488.015  202.283  459.676  220.485 28.33890 299.2192 
1 1 1  -27   21    2 o  430.720  179.048   0.8737   3.9837   0.6053   4.2070   3.2015   12.390  433.838  182.429  739.385  312.106 -305.5470 361.5111 
1 1 1  -27   21    4 o  497.644  188.798   2.9838   4.0517   2.2248   4.3558   7.8564   11.037  485.160  192.443  790.407  308.514 -305.2474 363.6137 
1 1 1  -27   21    6 o  755.547  188.329   9.6218   4.4397   7.2483   4.7841   24.351   11.918  665.266  207.319  1165.95  317.755 -500.6866 379.4062 
1 1 1  -27   21    8 o  658.831  247.535   5.7538   6.9254   4.9213   8.6756   7.2162   11.498  681.881  271.238  787.690  312.593 -105.8086 413.8651 
1 1 1  -27   21   10 o  679.604  265.345   5.4094   8.1662   5.4094   8.1662   0.0000   0.0000  679.604  265.345  ?   ?  0.000000 265.3445 
1 1 1  -27   21   12 o  619.958  235.964   4.8413   6.3420   5.8964   8.0718   3.1393   10.252  687.578  265.092  686.693  286.489 0.8851318 390.3201 
1 1 1  -27   21   14 o  950.724  170.853   15.027   4.8992   16.721   5.5341   8.8878   10.535  1000.16  183.469  798.676  304.092 201.4869 355.1518 
1 1 1  -27   21   16 o  647.613  205.773   6.8569   4.6910   6.8569   4.6910   0.0000   0.0000  647.613  205.773  ?   ?  0.000000 205.7727 
1 1 1  -27   21   18 o  1522.98  120.931   37.224   5.7195   38.633   6.6009   32.981   11.457  1546.17  137.785  1365.30  277.458 180.8739 309.7866 
1 1 1  -27   21   20 o  498.768  184.639   3.3225   3.8252   1.0033   4.2078   14.363   9.1807  441.961  183.893  902.951  287.970 -460.9902 341.6772 
1 1 1  -27   21   22 o  1185.67  140.521   22.961   5.1155   22.766   5.7812   23.664   10.981  1172.92  161.709  1131.04  303.661 41.87683 344.0352 
1 1 1  -27   21   24 o  587.160  196.682   5.5381   4.2578   7.4703   4.8332  -1.1576   8.9972  665.259  208.555  570.271  252.972 94.98779 327.8564 
1 1 1  -27   21   26 o  580.797  202.617   5.2860   4.5291   5.2860   4.5291   0.0000   0.0000  580.797  202.617  ?   ?  0.000000 202.6167 
1 1 1  -27   21   28 o  1058.14  172.977   19.009   5.5332   19.009   5.5332   0.0000   0.0000  1058.14  172.977  ?   ?  0.000000 172.9774 
1 1 1  -27   21   30 o  523.658  205.264   3.3639   4.9015   3.3639   4.9015   0.0000   0.0000  523.658  205.264  ?   ?  0.000000 205.2643 
1 1 1  -27   21   32 o  883.510  198.131   13.918   5.3461   13.918   5.3461   0.0000   0.0000  883.510  198.131  ?   ?  0.000000 198.1310 
1 1 1  -27   21   34 o  678.022  216.704   8.3164   5.1968   8.3164   5.1968   0.0000   0.0000  678.022  216.704  ?   ?  0.000000 216.7044 
1 1 1  -27   21   36 o  444.463  188.117   1.2355   4.5206   1.2355   4.5206   0.0000   0.0000  444.463  188.117  ?   ?  0.000000 188.1171 
1 1 1  -27   21   38 o  500.529  205.278   2.9202   5.1420   2.9202   5.1420   0.0000   0.0000  500.529  205.278  ?   ?  0.000000 205.2776 
1 1 1  -27   21   40 o  994.950  185.929   18.349   5.5795   18.349   5.5795   0.0000   0.0000  994.950  185.929  ?   ?  0.000000 185.9294 
1 1 1  -27   22    1 o  612.040  207.233   5.8082   4.7273   5.8082   4.7273   0.0000   0.0000  612.040  207.233  ?   ?  0.000000 207.2326 
1 1 1  -27   22    3 o  849.895  191.240   12.183   4.9663   12.183   4.9663   0.0000   0.0000  849.895  191.240  ?   ?  0.000000 191.2397 
1 1 1  -27   22    5 o  400.254  192.782 -10.2449   7.1657 -22.3417   9.0298   10.329   11.776  379.535  189.187  850.732  322.081 -471.1979 373.5344 
1 1 1  -27   22    7 o  800.318  260.726   10.589   7.4984   15.804   9.4545   1.7471   12.311  954.324  290.422  717.311  307.226 237.0128 422.7675 
1 1 1  -27   22    9 o  557.835  231.352   1.8503   6.6291  -0.8848   8.0659   7.5430   11.636  555.772  243.278  795.580  314.867 -239.8083 397.9015 
1 1 1  -27   22   11 o  523.733  198.562   3.3565   4.4797   8.3218   4.8625 -24.5096   11.519  705.114  206.796  447.363  221.399 257.7504 302.9554 
1 1 1  -27   22   13 o  777.631  195.628   10.248   4.7592   9.9878   5.1497   11.771   12.459  767.054  208.806  884.923  332.107 -117.8694 392.2945 
1 1 1  -27   22   15 o  242.057  120.945 -10.0916   3.7857  -8.1102   4.0615 -23.2100   10.451  276.186  135.678  420.551  208.613 -144.3658 248.8537 
1 1 1  -27   22   17 o  583.031  192.514   5.3856   4.0831   7.3316   4.4231  -5.8303   10.619  662.634  197.973  568.102  261.022 94.53217 327.6062 
1 1 1  -27   22   19 o  1007.99  168.618   16.903   5.1341   12.399   5.7014   36.213   11.806  848.304  214.510  1433.23  273.027 -584.9289 347.2156 
1 1 1  -27   22   21 o  596.676  193.352   5.7729   4.1263   3.3818   4.5124   17.979   10.195  522.079  198.960  995.487  301.278 -473.4084 361.0451 
1 1 1  -27   22   23 o  1240.69  215.661   26.433   8.0741   26.433   8.0741   0.0000   0.0000  1240.69  215.661  ?   ?  0.000000 215.6612 
1 1 1  -27   22   25 o  452.483  189.012   1.0740   4.4702   2.5110   4.9239  -5.6634   10.662  507.455  203.503  561.739  259.347 -54.28387 329.6581 
1 1 1  -27   22   27 o  507.926  198.852   2.9802   4.5957   4.2015   5.0854  -2.4613   10.735  558.149  211.571  597.392  269.764 -39.24341 342.8341 
1 1 1  -27   22   29 o  447.391  185.504   1.3254   4.2606  -0.5853   4.7645   8.9520   9.5188  423.510  186.139  752.880  288.479 -329.3696 343.3187 
1 1 1  -27   22   31 o  502.058  190.372   3.4012   4.1182   2.0824   4.4705   10.793   10.584  473.763  192.517  793.969  304.198 -320.2063 359.9987 
1 1 1  -27   22   33 o  424.466  181.932   0.4891   4.3227   0.7178   4.8303  -0.4311   9.6874  450.220  192.625  579.876  259.512 -129.6565 323.1891 
1 1 1  -27   22   35 f  690.235  204.196   8.6513   4.7229   8.0326   5.3120   10.986   10.318  667.585  219.542  771.325  299.065 -103.7399 370.9962 
1 1 1  -27   22   37 o  491.241  191.568   3.2765   4.2525   1.5019   4.7033   11.225   9.9542  456.608  192.492  758.348  293.823 -301.7406 351.2618 
1 1 1  -27   23    2 o  570.358  249.299  -0.7860   8.4427   6.2254   10.176 -16.2679   15.122  742.412  294.253  605.328  288.475 137.0843 412.0714 
1 1 1  -27   23    4 o  537.769  235.802  -1.0422   7.6065  -0.6875   8.8663  -2.0312   14.805  585.928  255.808  729.591  324.032 -143.6627 412.8368 
1 1 1  -27   23    6 o  582.578  208.921   4.8430   4.8424   4.8430   4.8424   0.0000   0.0000  582.578  208.921  ?   ?  0.000000 208.9211 
1 1 1  -27   23    8 o  401.242  173.195  -0.2479   3.9704  -0.5725   4.1414   3.4412   13.962  402.075  175.204  779.317  330.264 -377.2419 373.8595 
1 1 1  -27   23   10 o  689.615  264.357   6.0132   7.9957   12.412   9.8072  -6.6726   13.808  870.554  298.468  654.039  299.453 216.5150 422.7946 
1 1 1  -27   23   12 o  488.581  191.389   2.4700   4.2591   0.2671   4.4620   25.056   14.287  437.048  186.014  1171.36  357.135 -734.3116 402.6749 
1 1 1  -27   23   14 o  319.841  152.407  -5.2783   4.2185  -5.5832   4.4735  -2.8307   12.676  329.280  156.916  664.461  297.146 -335.1809 336.0336 
1 1 1  -27   23   16 o  396.703  176.258  -1.3291   4.3847  -3.5966   4.6396   17.622   13.413  367.579  170.189  1007.26  348.835 -639.6815 388.1367 
1 1 1  -27   23   18 o  939.455  173.721   14.746   4.9221   14.118   5.2788   18.922   13.621  913.646  190.680  1030.64  351.754 -116.9933 400.1126 
1 1 1  -27   23   20 o  487.624  195.864   2.1148   4.5692   3.8143   4.9057  -9.0134   12.553  548.322  207.811  589.471  275.288 -41.14960 344.9192 
1 1 1  -27   23   22 o  1001.00  209.080   17.205   6.3420   17.686   7.2926   15.712   12.847  1005.24  235.762  950.649  340.355 54.58868 414.0353 
1 1 1  -27   23   24 o  501.095  196.055   2.7860   4.4652   3.6265   4.9077  -1.2546   10.760  540.141  207.098  621.463  276.119 -81.32196 345.1539 
1 1 1  -27   23   26 o  1069.36  186.678   19.422   6.0234   19.422   6.0234   0.0000   0.0000  1069.36  186.678  ?   ?  0.000000 186.6785 
1 1 1  -27   23   28 o  461.390  196.284   0.6773   4.9641   0.6773   4.9641   0.0000   0.0000  461.390  196.284  ?   ?  0.000000 196.2840 
1 1 1  -27   23   30 o  679.336  208.932   8.0115   4.8770   6.8338   5.4838   12.467   10.666  644.083  223.050  838.581  308.708 -194.4987 380.8571 
1 1 1  -27   23   32 o  576.817  200.285   5.3928   4.4230   6.3529   4.8719   0.8911   10.549  616.568  210.370  625.013  275.749 -8.444702 346.8323 
1 1 1  -27   23   34 o  367.965  168.991  -2.4960   4.4441  -3.3055   4.9146   1.1348   10.408  376.403  174.586  617.040  272.980 -240.6363 324.0345 
1 1 1  -27   24    1 o  602.266  262.289  -0.4890   9.2698   6.0630   11.491 -12.6976   15.686  768.787  309.972  649.086  304.602 119.7012 434.5858 
1 1 1  -27   24    3 o  774.974  208.149   10.144   5.1581   10.469   5.4316   7.1640   16.464  786.767  214.556  880.977  364.922 -94.21045 423.3235 
1 1 1  -27   24    5 o  602.388  213.115   5.3000   5.0225   4.7521   5.2524   11.151   17.163  590.743  216.757  948.503  380.095 -357.7598 437.5569 
1 1 1  -27   24    7 o  442.598  188.925   0.1525   4.6271  -0.6089   4.8123   9.4778   16.841  433.862  188.964  919.437  373.648 -485.5754 418.7124 
1 1 1  -27   24    9 o  501.628  199.481   2.3362   4.6912   1.2051   4.8969   14.962   16.360  479.677  198.881  995.918  379.007 -516.2407 428.0189 
1 1 1  -27   24   11 o  673.660  267.616   4.7798   8.4352   6.2352   9.6343  -0.0000   17.459  731.608  287.467  810.270  356.218 -78.66187 457.7431 
1 1 1  -27   24   13 o  351.393  161.475  -2.8227   4.0657  -3.4167   4.2199   4.8605   15.177  349.232  161.911  822.591  346.232 -473.3591 382.2192 
1 1 1  -27   24   15 f  790.990  207.197   10.628   5.1931   12.693   5.4789  -7.6274   16.291  864.161  205.485  704.614  323.583 159.5474 383.3148 
1 1 1  -27   24   17 o  591.277  211.053   5.0876   4.9362   5.6611   5.2763   1.0632   13.977  617.302  218.428  743.048  322.836 -125.7466 389.7873 
1 1 1  -27   24   19 o  412.370  181.748  -1.0022   4.5713  -3.0482   4.8842   13.449   12.980  388.693  178.012  918.566  340.109 -529.8737 383.8784 
1 1 1  -27   24   21 o  712.291  234.774   8.3279   6.0734   7.9659   6.7423   9.8854   13.986  710.199  247.245  863.943  344.156 -153.7446 423.7614 
1 1 1  -27   24   23 o  497.260  198.897   2.3289   4.6902   4.5688   5.0256 -12.7905   13.057  573.636  211.779  568.168  269.993 5.468445 343.1426 
1 1 1  -27   24   25 o  535.253  204.674   3.5772   4.7855  -0.7821   5.1647   30.035   12.724  441.404  193.906  1265.07  320.756 -823.6663 374.8123 
1 1 1  -27   24   27 o  599.785  209.313   5.6189   4.8336   5.8670   5.2450   4.2207   12.451  615.493  217.781  733.075  311.337 -117.5818 379.9462 
1 1 1  -27   24   29 f  558.238  207.094   4.4272   4.8173   1.0227   5.3223   19.856   11.330  483.066  204.267  1016.58  319.418 -533.5120 379.1476 
1 1 1  -27   24   31 o  481.405  197.102   1.9434   4.7305   1.9434   4.7305   0.0000   0.0000  481.405  197.102  ?   ?  0.000000 197.1015 
1 1 1  -27   25    2 o  628.422  236.105   5.0988   6.3005   10.168   6.7472 -29.4238   17.608  783.910  246.521  587.795  287.454 196.1153 378.6848 
1 1 1  -27   25    4 o  401.117  183.222  -3.1342   5.1294  -0.3011   5.3619 -33.6965   17.611  465.424  201.083  566.079  278.955 -100.6554 343.8753 
1 1 1  -27   25    6 o  488.916  203.637   1.1048   5.1673   3.9396   5.4561 -23.5711   16.097  573.354  218.711  584.128  283.212 -10.77380 357.8319 
1 1 1  -27   25    8 o  434.545  188.917  -0.5543   4.7922  -2.2994   4.9992   19.218   16.828  409.517  184.587  1077.01  389.067 -667.4888 430.6334 
1 1 1  -27   25   10 o  506.978  206.622   1.8445   5.1687   1.8445   5.1687   0.0000   0.0000  506.978  206.622  ?   ?  0.000000 206.6219 
1 1 1  -27   25   12 o  903.526  282.053   13.876   8.8506   8.5387   10.421   27.695   16.767  795.628  302.556  1230.41  388.824 -434.7775 492.6709 
1 1 1  -27   25   14 o  447.973  192.385  -0.0399   4.8508  -0.0399   4.8508   0.0000   0.0000  447.973  192.385  ?   ?  0.000000 192.3855 
1 1 1  -27   25   16 o  457.751  192.386   0.7195   4.6750   3.1111   4.9177 -21.7229   15.065  531.104  206.314  565.631  274.181 -34.52667 343.1331 
1 1 1  -27   25   18 o  582.240  214.873   4.6025   5.1725   4.6025   5.1725   0.0000   0.0000  582.240  214.873  ?   ?  0.000000 214.8728 
1 1 1  -27   25   20 o  363.846  172.001  -5.6022   5.1683  -4.5340   5.5286 -13.0065   14.555  396.052  184.198  611.866  289.065 -215.8139 342.7648 
1 1 1  -27   25   22 o  673.352  220.409   7.3852   5.3563   7.4821   5.7666   6.7759   14.458  681.949  228.892  824.824  341.839 -142.8753 411.3944 
1 1 1  -27   25   24 o  453.008  193.767   0.2610   4.8854   0.2336   5.2193   0.4551   13.882  466.367  199.901  723.783  317.931 -257.4156 375.5541 
1 1 1  -27   25   26 o  475.268  198.262   1.2148   4.9091   1.0513   5.2649   2.3031   13.584  485.225  204.061  735.587  318.931 -250.3621 378.6260 
1 1 1  -27   26    1 o  426.597  178.382   0.6699   3.9874   1.7655   4.1377 -13.5951   14.930  464.269  186.420  625.352  294.621 -161.0833 348.6462 
1 1 1  -27   26    3 o  457.816  197.078  -0.1696   5.1127  -2.4362   5.3738   21.475   16.606  425.101  191.516  1120.07  388.131 -694.9720 432.8097 
1 1 1  -27   26    5 o  482.712  207.084   0.0000   5.6097   0.0000   5.6097   0.0000   0.0000  482.712  207.084  ?   ?  0.000000 207.0840 
1 1 1  -27   26    7 o  787.620  229.158   10.396   5.9922   13.256   6.5034  -5.6744   15.419  883.325  232.104  711.122  322.013 172.2028 396.9442 
1 1 1  -27   26    9 o  853.798  232.212   12.361   6.3723   15.863   6.8886  -8.4019   16.776  965.523  230.957  717.232  329.002 248.2910 401.9748 
1 1 1  -27   26   11 f  715.921  229.473   8.3042   5.8241   6.9145   6.2930   16.601   15.376  679.939  238.743  1019.95  371.374 -340.0144 441.4940 
1 1 1  -27   26   13 o  1058.18  233.952   19.082   7.5458   19.082   7.5458   0.0000   0.0000  1058.18  233.952  ?   ?  0.000000 233.9521 
1 1 1  -27   26   15 o  597.916  214.501   5.0993   5.1049   2.1603   5.4219   28.054   15.152  524.014  212.344  1240.61  365.393 -716.5985 422.6129 
1 1 1  -27   26   17 o  397.502  179.098  -2.1285   4.7008   0.0064   4.9716 -20.1339   14.438  454.211  194.907  560.044  270.703 -105.8335 333.5701 
1 1 1  -27   26   19 f  438.256  195.654  -1.8499   5.4706  -2.6513   5.9465   2.5645   13.956  445.116  200.911  764.712  327.306 -319.5966 384.0502 
1 1 1  -26    0    2 o  250.276  165.857  -0.7166   3.4226  -0.7166   3.4226  -0.7166   3.4226  250.276  165.857  250.276  165.857 -0.000000 0.000000 
1 1 1  -26    0    4 o  640.121  262.190   9.4300   5.1834   9.4300   5.1834   9.4300   5.1834  640.121  262.190  640.121  262.190 -0.000000 0.000000 
1 1 1  -26    0    6 o  484.349  249.627   5.7586   4.8464   5.7586   4.8464   5.7586   4.8464  484.349  249.627  484.349  249.627 -0.000000 0.000000 
1 1 1  -26    0    8 o  211.431  146.882  -2.8702   3.4218  -2.8702   3.4218  -2.8702   3.4218  211.431  146.882  211.431  146.882 -0.000000 0.000000 
1 1 1  -26    0   10 o  976.178  213.230   17.432   5.7086   17.432   5.7086   17.432   5.7086  976.178  213.230  976.178  213.230 -0.000000 0.000000 
1 1 1  -26    0   12 o  454.883  237.947   5.0287   4.4517   5.0287   4.4517   5.0287   4.4517  454.883  237.947  454.883  237.947 -0.000000 0.000000 
1 1 1  -26    0   14 o  408.148  227.695   3.8398   4.3350   3.8398   4.3350   3.8398   4.3350  408.148  227.695  408.148  227.695 -0.000000 0.000000 
1 1 1  -26    0   16 o  561.052  193.012   6.5696   3.0505   6.5696   3.0505   6.5696   3.0505  561.052  193.012  561.052  193.012 -0.000000 0.000000 
1 1 1  -26    0   18 o  1125.44  129.614   20.950   4.4103   20.950   4.4103   20.950   4.4103  1125.44  129.614  1125.44  129.614 -0.000000 0.000000 
1 1 1  -26    0   20 o  1029.77  133.281   17.717   4.0992   17.717   4.0992   17.717   4.0992  1029.77  133.281  1029.77  133.281 -0.000000 0.000000 
1 1 1  -26    0   22 o  228.180  147.813  -0.0301   2.4978  -0.0301   2.4978  -0.0301   2.4978  228.180  147.813  228.180  147.813 -0.000000 0.000000 
1 1 1  -26    0   24 o  277.879  169.016   1.1969   2.7518   1.1969   2.7518   1.1969   2.7518  277.879  169.016  277.879  169.016 -0.000000 0.000000 
1 1 1  -26    0   26 o  1442.66  115.167   33.626   5.1262   33.626   5.1262   33.626   5.1262  1442.66  115.167  1442.66  115.167 -0.000000 0.000000 
1 1 1  -26    0   28 o  2944.23  132.125  138.726   12.125  138.726   12.125  138.726   12.125  2944.23  132.125  2944.23  132.125 -0.000000 0.000000 
1 1 1  -26    0   30 o  315.754  181.830   2.0574   2.8858   2.0574   2.8858   2.0574   2.8858  315.754  181.830  315.754  181.830 -0.000000 0.000000 
1 1 1  -26    0   32 o  2410.60  179.077   94.941   13.346   94.941   13.346   94.941   13.346  2410.60  179.077  2410.60  179.077 -0.000000 0.000000 
1 1 1  -26    0   34 o  1894.42  119.845   57.549   7.0438   57.549   7.0438   57.549   7.0438  1894.42  119.845  1894.42  119.845 -0.000000 0.000000 
1 1 1  -26    0   36 o  3320.56  140.096  176.543   14.507  176.543   14.507  176.543   14.507  3320.56  140.096  3320.56  140.096 -0.000000 0.000000 
1 1 1  -26    0   38 o  460.231  245.825   5.0750   4.8309   5.0750   4.8309   5.0750   4.8309  460.231  245.825  460.231  245.825 -0.000000 0.000000 
1 1 1  -26    0   40 o  305.464  184.680   1.5226   3.2447   1.5226   3.2447   1.5226   3.2447  305.464  184.680  305.464  184.680 -0.000000 0.000000 
1 1 1  -26    0   42 o  882.028  159.347   13.538   3.9744   13.538   3.9744   13.538   3.9744  882.028  159.347  882.028  159.347 -0.000000 0.000000 
1 1 1  -26    0   44 o  184.596  129.939  -3.2631   2.9428  -3.2631   2.9428  -3.2631   2.9428  184.596  129.939  184.596  129.939 -0.000000 0.000000 
1 1 1  -26    0   46 o  1629.72  122.694   42.983   6.1795   42.983   6.1795   42.983   6.1795  1629.72  122.694  1629.72  122.694 -0.000000 0.000000 
1 1 1  -26    0   48 o  295.499  184.567   1.0485   3.4948   1.0485   3.4948   1.0485   3.4948  295.499  184.567  295.499  184.567 -0.000000 0.000000 
1 1 1  -26    0   50 o  3043.06  138.513  150.566   13.136  150.566   13.136  150.566   13.136  3043.06  138.513  3043.06  138.513 -0.000000 0.000000 
1 1 1  -26    0   52 o  553.372  290.649   8.2995   6.6625   8.2995   6.6625   8.2995   6.6625  553.372  290.649  553.372  290.649 -0.000000 0.000000 
1 1 1  -26    0   54 o  1643.20  202.295   47.557   9.9854   47.557   9.9854   47.557   9.9854  1643.20  202.295  1643.20  202.295 -0.000000 0.000000 
1 1 1  -26    0   56 o  532.649  287.102   7.9236   6.6459   7.9236   6.6459   7.9236   6.6459  532.649  287.102  532.649  287.102 -0.000000 0.000000 
1 1 1  -26    0   58 o  2868.92  138.964  135.945   12.417  135.945   12.417  135.945   12.417  2868.92  138.964  2868.92  138.964 -0.000000 0.000000 
1 1 1  -26    1    1 o  2537.47   99.583  102.993   7.9123  104.244   9.6361  100.402   13.863  2539.93  121.160  2439.44  182.816 100.4888 219.3208 
1 1 1  -26    1    3 o  1784.13  116.198   51.479   6.4560   48.833   8.9941   54.292   9.2727  1706.60  170.594  1803.18  166.096 -96.58289 238.0975 
1 1 1  -26    1    5 o  432.997  158.583   2.5997   2.8095   1.1565   3.9535   4.0722   3.9933  429.981  178.524  523.866  189.487 -93.88455 260.3383 
1 1 1  -26    1    7 o  1058.55  126.146   18.362   4.0989   25.155   5.7517   11.354   5.8427  1229.53  152.684  796.683  224.557 432.8459 271.5481 
1 1 1  -26    1    9 o  959.563  137.852   15.266   4.0230   19.730   5.4641   9.9824   5.9450  1080.45  166.886  749.603  230.699 330.8489 284.7332 
1 1 1  -26    1   11 o  441.847  165.208   2.5988   3.0776   3.9350   4.0617   0.7977   4.7158  520.097  190.645  451.649  191.701 68.44748 270.3609 
1 1 1  -26    1   13 o  804.755  163.639   11.088   3.9831   15.821   5.5847   6.1882   5.6823  951.188  194.080  624.545  226.014 326.6432 297.9086 
1 1 1  -26    1   15 o  572.467  124.183   5.5097   2.1620   6.5059   3.0515   4.5056   3.0636  615.112  157.693  521.005  166.370 94.10724 229.2289 
1 1 1  -26    1   17 o  556.340  123.513   5.2153   2.0956   5.1608   3.1067   5.2608   2.8385  550.510  166.246  554.383  156.609 -3.872742 228.3945 
1 1 1  -26    1   19 o  751.843  106.285   9.2787   2.4324   10.427   3.4453   8.1374   3.4347  783.404  145.815  684.549  162.642 98.85468 218.4366 
1 1 1  -26    1   21 o  1104.15   86.492   19.600   2.9664   22.544   4.2725   16.859   4.1219  1172.02  118.026  1005.03  134.342 166.9888 178.8235 
1 1 1  -26    1   23 o  2664.06   89.535  113.712   7.4688  118.537   10.645  109.033   10.482  2689.69  126.391  2573.03  130.531 116.6611 181.6949 
1 1 1  -26    1   25 o  1659.96   80.305   43.964   4.1741   43.532   5.9307   44.388   5.8758  1631.13  116.893  1648.57  114.537 -17.44348 163.6542 
1 1 1  -26    1   27 f  540.711  125.253   4.9669   2.0790   4.7267   3.0342   5.1795   2.8544  526.905  165.253  547.632  157.825 -20.72681 228.5111 
1 1 1  -26    1   29 f  1657.96   93.742   44.299   4.8467   44.447   5.9465   44.007   8.3649  1648.42  115.945  1602.52  169.264 45.90100 205.1670 
1 1 1  -26    1   31 o  849.349  116.183   11.958   3.0089   10.921   3.5308   14.708   5.7505  798.433  146.630  895.195  208.954 -96.76172 255.2692 
1 1 1  -26    1   33 o  2752.76  105.423  123.106   9.0870  122.734   15.690  123.295   11.147  2636.63  191.346  2728.68  130.461 -92.04663 231.5883 
1 1 1  -26    1   35 o  1819.01   83.295   53.164   4.7443   48.437   6.6548   58.049   6.7654  1704.98  125.535  1875.50  115.767 -170.5189 170.7660 
1 1 1  -26    1   37 o  2002.79   83.168   64.651   5.2156   67.963   7.4162   61.409   7.3365  2021.89  117.648  1916.58  122.897 105.3112 170.1314 
1 1 1  -26    1   39 o  1471.32   95.628   35.497   4.3817   31.251   5.3222   44.429   7.7193  1357.30  126.692  1588.50  157.260 -231.1982 201.9446 
1 1 1  -26    1   41 o  956.601   98.709   15.199   2.9142   13.352   4.3189   16.743   3.9485  852.303  167.805  983.784  131.467 -131.4811 213.1717 
1 1 1  -26    1   43 o  1781.01   84.745   51.861   4.7260   57.043   6.7594   46.905   6.6104  1828.11  118.726  1644.47  129.421 183.6339 175.6296 
1 1 1  -26    1   45 o  3133.19  100.257  165.742   9.8360  172.049   13.957  159.518   13.864  3072.44  145.074  2938.91  151.165 133.5300 209.5171 
1 1 1  -26    1   47 o  1332.13   89.302   30.289   3.7034   24.580   5.0601   36.876   5.4348  1124.44  147.255  1418.63  123.583 -294.1938 192.2416 
1 1 1  -26    1   49 o  2627.56  116.013  130.239   9.5450  125.865   11.614  139.343   16.755  2433.42  153.201  2115.30  258.329 318.1274 300.3410 
1 1 1  -26    1   51 o  1616.31  107.200   50.559   5.3946   43.372   6.4009   68.181   10.023  1376.66  150.966  1488.78  221.773 -112.1191 268.2795 
1 1 1  -26    1   53 o  1444.19  161.204   54.618   7.1655   56.277   9.7547   52.673   10.560  1010.92  291.878  779.366  302.447 231.5563 420.3181 
1 1 1  -26    1   55 o  918.498  197.408   29.949   5.5085   25.008   7.4137   36.039   8.2306  492.355  223.090  592.691  252.457 -100.3351 336.9029 
1 1 1  -26    1   57 o  1262.65  132.582   43.278   5.1636   37.491   8.6371   46.497   6.4415  443.085  212.983  1067.31  200.095 -624.2225 292.2322 
1 1 1  -26    1   59 o  1439.12  158.355   75.607   7.0178   80.295   12.114   73.239   8.6096  376.516  191.310  799.610  279.335 -423.0939 338.5664 
1 1 1  -26    2    2 o  1449.19   91.331   33.598   4.1232   31.094   4.9130   39.562   7.5825  1385.55  114.261  1540.99  159.450 -155.4415 196.1635 
1 1 1  -26    2    4 o  436.277  158.907   2.6740   2.8155   0.1432   3.8770   5.4979   4.0954  399.670  171.827  578.451  192.892 -178.7813 258.3250 
1 1 1  -26    2    6 o  1218.21  121.790   24.179   4.5835   20.924   6.2085   28.079   6.7951  1104.22  186.186  1289.86  172.567 -185.6443 253.8590 
1 1 1  -26    2    8 o  596.120  163.103   6.0730   3.1328   3.7982   4.3232   8.5883   4.5460  522.949  195.753  700.806  198.268 -177.8571 278.6211 
1 1 1  -26    2   10 o  1282.15  121.533   26.775   4.8210   26.187   6.8597   27.349   6.7768  1239.12  182.240  1270.68  174.962 -31.56689 252.6321 
1 1 1  -26    2   12 o  1205.01  127.454   23.790   4.7361   19.192   6.5622   28.790   6.8422  1043.38  208.155  1304.79  171.634 -261.4166 269.7904 
1 1 1  -26    2   14 o  2120.45   81.599   71.489   5.4179   70.059   7.5729   72.989   7.7544  2079.57  116.771  2122.50  117.129 -42.92896 165.3925 
1 1 1  -26    2   16 o  663.054  111.024   7.2645   2.2236   8.8157   3.2094   5.8326   3.0836  719.864  147.344  582.481  162.768 137.3823 219.5538 
1 1 1  -26    2   18 f  1207.81   83.465   23.356   3.1372   23.101   4.6172   23.574   4.2759  1184.58  126.434  1201.74  115.037 -17.15320 170.9355 
1 1 1  -26    2   20 o  322.249  128.859   0.9397   1.9680   2.3217   2.8760  -0.2774   2.6989  420.903  159.213  323.580  141.206 97.32333 212.8098 
1 1 1  -26    2   22 o  2039.17   82.061   66.345   5.2397   65.480   7.4261   67.202   7.3942  2002.19  118.986  2029.93  116.824 -27.74451 166.7493 
1 1 1  -26    2   24 o  490.209  139.267   4.0865   2.2381   5.2217   3.4185   3.2349   2.9609  552.617  175.668  459.913  163.532 92.70404 240.0046 
1 1 1  -26    2   26 o  732.272  109.957   8.8607   2.4434   7.5705   3.4066   10.228   3.5065  657.358  165.584  772.035  150.456 -114.6769 223.7301 
1 1 1  -26    2   28 o  422.136  138.297   2.8751   2.1086   2.4685   3.1172   3.2181   2.8631  434.053  165.378  456.602  160.973 -22.54916 230.7858 
1 1 1  -26    2   30 o  1194.21  102.163   23.182   3.7835   22.955   4.6803   23.610   6.4274  1175.58  129.281  1160.97  182.855 14.60486 223.9408 
1 1 1  -26    2   32 o  1452.09   82.356   33.833   3.7292   38.377   5.3879   29.654   5.1668  1530.74  113.211  1338.24  124.741 192.5022 168.4547 
1 1 1  -26    2   34 o  1976.00   82.528   62.608   5.1063   66.203   7.2599   59.087   7.1834  2006.10  116.070  1890.10  122.027 116.0011 168.4125 
1 1 1  -26    2   36 o  436.960  140.624   3.2052   2.1855  -0.4891   3.3394   5.9731   2.8905  348.355  154.344  579.748  155.860 -231.3928 219.3495 
1 1 1  -26    2   38 o  1426.64   83.571   32.962   3.7170   33.940   5.3045   32.019   5.2100  1422.99  120.173  1380.71  121.755 42.28577 171.0724 
1 1 1  -26    2   40 o  1199.51  102.926   23.860   3.8284   26.350   4.7141   19.036   6.5614  1247.00  122.303  979.107  219.447 267.8948 251.2270 
1 1 1  -26    2   42 o  500.869  141.206   4.5101   2.3100   1.5740   3.4221   6.9678   3.1310  399.420  165.986  612.500  161.097 -213.0797 231.3084 
1 1 1  -26    2   44 o  2752.91   93.257  125.738   8.0388  125.538   11.355  125.939   11.382  2663.93  136.591  2667.93  136.704 -4.001953 193.2491 
1 1 1  -26    2   46 o  1271.94   87.793   27.225   3.4752   27.580   4.9655   26.885   4.8653  1230.01  130.939  1215.76  129.810 14.25122 184.3788 
1 1 1  -26    2   48 f  3027.40  124.133  172.168   11.767  167.720   14.383  181.170   20.463  2819.45  163.624  2441.03  272.360 378.4177 317.7306 
1 1 1  -26    2   50 o  1813.67  104.078   61.499   5.8859   59.109   7.1270   66.626   10.438  1684.13  136.319  1492.78  230.756 191.3447 268.0135 
1 1 1  -26    2   52 o  1959.53  112.782   77.869   6.8908   76.992   8.4034   79.669   12.039  1796.52  150.779  1265.61  306.955 530.9109 341.9877 
1 1 1  -26    2   54 o  820.297  120.592   15.036   3.0050   16.968   4.1660   12.940   4.3388  733.289  182.233  552.679  197.805 180.6104 268.9532 
1 1 1  -26    2   56 o  1460.70  126.982   53.454   5.7501   57.946   9.8246   51.113   7.0916  653.914  277.075  1140.70  206.129 -486.7874 345.3405 
1 1 1  -26    2   58 o  295.892  138.194   4.5118   3.1642   2.4804   5.1111   5.7743   4.0292  258.249  130.499  295.493  142.873 -37.24380 193.5011 
1 1 1  -26    3    1 o  497.924  154.959   4.0938   2.6738   4.0938   2.6738   0.0000   0.0000  497.924  154.959  ?   ?  0.000000 154.9590 
1 1 1  -26    3    3 o  1610.07  117.222   41.976   5.8692   40.618   8.0834   43.491   8.5355  1556.77  168.516  1609.22  172.061 -52.44763 240.8373 
1 1 1  -26    3    5 o  2071.21  120.262   69.435   7.7660   65.561   10.861   73.489   11.109  1974.98  177.520  2097.02  170.662 -122.0372 246.2496 
1 1 1  -26    3    7 o  1865.51  117.739   56.292   6.8423   56.606   9.6876   55.979   9.6653  1839.32  170.133  1828.58  170.781 10.73572 241.0635 
1 1 1  -26    3    9 o  966.673  142.170   15.543   4.1748   11.563   5.7093   20.117   6.1201  804.207  220.248  1081.14  187.588 -276.9290 289.3065 
1 1 1  -26    3   11 o  877.057  104.961   12.497   2.8253   10.792   5.0361   13.280   3.4129  780.910  203.793  898.063  124.736 -117.1530 238.9366 
1 1 1  -26    3   13 o  816.083   95.005   10.775   2.3823   11.995   3.3537   9.5330   3.3847  850.431  130.074  749.806  149.407 100.6245 198.0952 
1 1 1  -26    3   15 o  799.159   97.296   10.364   2.3845   8.8703   3.4374   11.749   3.3105  719.416  157.001  840.915  129.912 -121.4989 203.7809 
1 1 1  -26    3   17 o  750.725  103.780   9.2168   2.3743   7.2950   3.3741   11.102   3.3417  648.647  165.565  814.046  135.889 -165.3984 214.1907 
1 1 1  -26    3   19 o  1112.75   83.059   19.839   2.8732   24.121   4.2431   16.214   3.9045  1216.47  112.674  989.031  129.162 227.4414 171.4011 
1 1 1  -26    3   21 o  648.921  119.659   7.0423   2.3418   6.0288   3.3878   7.9698   3.2408  589.401  172.540  679.145  155.716 -89.74426 232.4169 
1 1 1  -26    3   23 o  545.709  129.247   5.0626   2.1745   3.6799   3.1538   6.3155   3.0021  483.843  169.061  603.473  157.279 -119.6299 230.9076 
1 1 1  -26    3   25 o  2219.50   83.874   78.660   5.8291   75.673   8.2496   81.638   8.2376  2149.88  123.058  2237.12  118.014 -87.24341 170.5009 
1 1 1  -26    3   27 o  2012.01   82.266   64.589   5.1828   70.754   7.4735   58.877   7.1938  2084.55  114.941  1896.55  121.780 188.0020 167.4573 
1 1 1  -26    3   29 o  2991.12  109.786  144.955   10.283  140.934   12.596  152.990   17.803  2921.28  137.699  2966.46  192.711 -45.18213 236.8516 
1 1 1  -26    3   31 o  397.235  135.169   2.4653   2.0113   0.2083   3.2951   3.8055   2.5392  368.265  158.369  477.033  151.372 -108.7686 219.0762 
1 1 1  -26    3   33 f  1621.48   82.081   42.185   4.1539   47.833   6.1268   37.381   5.6510  1707.19  115.288  1504.87  120.947 202.3210 167.0911 
1 1 1  -26    3   35 o  1921.55   82.266   59.268   4.9498   61.023   7.1756   57.676   6.8369  1920.23  119.941  1868.73  117.438 51.50024 167.8619 
1 1 1  -26    3   37 o  711.376  137.268   8.7736   2.9469   10.876   5.4461   7.9034   3.5042  747.541  218.745  660.100  168.854 87.44110 276.3345 
1 1 1  -26    3   39 o  397.450  142.461   2.4540   2.2513   2.5939   3.3361   2.3370   3.0507  435.090  169.674  417.157  162.373 17.93311 234.8493 
1 1 1  -26    3   41 o  758.466  138.929   10.130   3.1779   10.280   3.7786   9.7650   5.8740  747.546  165.773  687.604  231.012 59.94202 284.3363 
1 1 1  -26    3   43 o  818.752  112.824   11.471   2.8157   14.957   3.9154   7.7373   4.0520  916.356  140.975  624.883  190.118 291.4727 236.6830 
1 1 1  -26    3   45 o  2782.24  111.615  133.099   9.7238  130.662   11.874  138.060   16.942  2681.69  141.914  2542.31  214.839 139.3848 257.4789 
1 1 1  -26    3   47 o  949.411  114.372   16.281   3.3317   15.755   3.9928   17.488   6.0450  897.155  147.244  826.301  226.768 70.85388 270.3788 
1 1 1  -26    3   49 o  977.710  118.938   18.308   3.5662   17.239   4.3324   20.557   6.2805  884.346  162.440  823.261  233.089 61.08466 284.1083 
1 1 1  -26    3   51 o  1575.84  108.496   48.265   5.3209   49.357   6.4865   46.020   9.3037  1503.22  139.393  1050.43  278.381 452.7871 311.3296 
1 1 1  -26    3   53 o  1932.63   93.713   71.905   5.6711   66.781   7.9473   77.221   8.0949  1598.48  160.970  1778.53  146.664 -180.0505 217.7654 
1 1 1  -26    3   55 o  841.815  122.368   16.524   3.1311   15.676   4.3533   17.434   4.5068  611.128  198.638  653.347  200.829 -42.21979 282.4706 
1 1 1  -26    3   57 o  908.246  148.189   24.353   4.0690   17.173   6.8965   28.187   5.0397  356.525  175.471  827.607  197.268 -471.0820 264.0167 
1 1 1  -26    3   59 o  1635.29  154.974   95.221   7.8407   72.770   13.424  106.848   9.6599  ?   ?   1277.32  250.472 0.000000 250.4722 
1 1 1  -26    4    2 o  1067.72  117.247   18.565   3.8554   18.565   3.8554   0.0000   0.0000  1067.72  117.247  ?   ?  0.000000 117.2471 
1 1 1  -26    4    4 o  767.549  145.641   9.9140   3.3723   5.9601   4.6982   14.116   4.8433  604.274  206.584  907.003  176.889 -302.7289 271.9681 
1 1 1  -26    4    6 o  1778.09   91.157   50.491   5.0582   55.416   8.8872   48.132   6.1519  1828.91  156.699  1726.18  114.466 102.7322 194.0543 
1 1 1  -26    4    8 o  1049.16   97.415   17.722   3.1637   17.425   5.5875   17.862   3.8382  1006.60  184.056  1046.26  119.292 -39.65723 219.3335 
1 1 1  -26    4   10 o  1629.68   89.219   42.417   4.5355   46.545   8.2109   40.605   5.4409  1672.92  158.642  1586.17  110.233 86.75610 193.1805 
1 1 1  -26    4   12 o  353.343  128.329   1.7088   1.8343  -1.1610   3.0242   3.3789   2.3071  321.610  144.388  455.614  144.258 -134.0034 204.1038 
1 1 1  -26    4   14 o  881.476   89.138   12.507   2.4265   13.505   3.5318   11.614   3.3395  903.778  128.411  835.687  132.004 68.09113 184.1582 
1 1 1  -26    4   16 o  760.057  100.931   9.4149   2.3427   13.332   3.4792   6.1656   3.1686  897.611  127.359  598.364  164.165 299.2479 207.7749 
1 1 1  -26    4   18 o  710.511  105.610   8.2854   2.2781   9.6713   3.2848   7.0009   3.1622  755.567  144.098  636.799  159.058 118.7679 214.6247 
1 1 1  -26    4   20 o  1154.16   85.097   21.357   3.0537   21.914   4.5473   20.900   4.1211  1152.51  128.179  1129.51  118.277 23.00305 174.4112 
1 1 1  -26    4   22 o  1353.83   81.414   29.303   3.4352   29.162   4.8265   29.449   4.8905  1336.23  116.520  1342.36  117.534 -6.130249 165.5031 
1 1 1  -26    4   24 o  1526.27   80.517   37.209   3.8344   41.163   5.5298   33.547   5.3215  1591.31  111.686  1431.83  119.795 159.4786 163.7818 
1 1 1  -26    4   26 o  369.548  134.581   1.9012   2.0193   1.5067   3.2883   2.1400   2.5586  408.425  165.415  401.743  150.553 6.682556 223.6702 
1 1 1  -26    4   28 o  3265.58   98.246  171.396   10.046  175.419   14.265  167.438   14.150  3260.81  139.708  3183.13  141.968 77.68335 199.1816 
1 1 1  -26    4   30 o  528.978  136.347   4.7844   2.2727   5.3588   3.4233   4.3317   3.0390  558.726  175.579  509.515  165.983 49.21085 241.6157 
1 1 1  -26    4   32 o  1139.97   88.243   20.954   3.1253   21.135   4.5592   20.793   4.2925  1125.38  131.883  1119.82  124.527 5.555786 181.3844 
1 1 1  -26    4   34 o  1464.24   97.978   34.824   4.4663   34.229   8.1675   35.078   5.3345  1382.89  193.953  1458.00  117.855 -75.10986 226.9530 
1 1 1  -26    4   36 o  2570.96  103.193  107.778   8.3074  111.622   14.629  105.949   10.093  2498.74  188.357  2519.12  128.375 -20.37793 227.9440 
1 1 1  -26    4   38 o  897.571   98.293   13.277   2.7174   15.838   4.0134   11.109   3.6925  959.902  137.450  792.080  154.428 167.8225 206.7382 
1 1 1  -26    4   40 o  2073.99   85.503   69.719   5.5527   70.092   7.9132   69.356   7.7936  2037.98  124.602  2028.79  123.267 9.197754 175.2718 
1 1 1  -26    4   42 o  453.488  162.637   3.4629   2.9345   4.6657   3.5601   0.9134   5.1831  509.774  179.526  441.788  194.159 67.98627 264.4373 
1 1 1  -26    4   44 o  592.131  162.983   6.7301   3.1172   4.7735   3.7629   11.010   5.5654  504.268  183.702  704.131  224.174 -199.8625 289.8287 
1 1 1  -26    4   46 o  861.621  131.834   13.685   3.4437   14.376   4.0954   12.017   6.3627  855.974  158.639  668.964  239.527 187.0095 287.2972 
1 1 1  -26    4   48 o  309.501  138.141   0.3958   2.7253  -1.2636   3.1901   4.8788   5.2434  292.161  137.189  455.427  197.803 -163.2660 240.7215 
1 1 1  -26    4   50 o  913.116  110.327   15.965   3.0905   15.801   4.1289   16.174   4.6606  821.328  166.249  783.143  191.623 38.18530 253.6895 
1 1 1  -26    4   52 o  2215.77   96.736   93.417   6.7116   95.278   9.3944   91.477   9.5921  1997.92  151.288  1912.45  161.694 85.46216 221.4346 
1 1 1  -26    4   54 f  2114.90   99.010   90.147   6.5567   81.611   9.1710   99.072   9.3776  1632.53  182.530  1916.84  157.635 -284.3091 241.1763 
1 1 1  -26    4   56 o  1743.07  100.717   65.407   5.4737   65.628   7.6431   65.176   7.8428  1399.34  178.497  1344.62  191.702 54.72266 261.9372 
1 1 1  -26    4   58 o  418.757  167.771   9.6863   3.3430   8.8618   5.7931   10.098   4.0934  295.659  148.006  364.022  165.267 -68.36285 221.8533 
1 1 1  -26    5    1 f  940.192   88.186   14.177   2.5658   16.973   3.8057   11.847   3.4742  1019.30  121.642  844.600  135.982 174.7031 182.4493 
1 1 1  -26    5    3 o  1246.53  115.574   25.191   4.4597   29.335   6.8532   22.148   5.8735  1321.41  169.541  1146.20  168.697 175.2006 239.1715 
1 1 1  -26    5    5 o  1076.56   98.525   18.654   3.2844   17.021   5.9295   19.377   3.9449  988.828  198.404  1091.33  117.281 -102.5048 230.4754 
1 1 1  -26    5    7 o  550.716  136.870   5.1207   2.3499   7.8682   4.2212   3.8868   2.8288  673.417  191.241  490.828  160.152 182.5894 249.4429 
1 1 1  -26    5    9 f  666.291  124.403   7.3885   2.5000   4.9478   4.5160   8.4669   3.0019  566.075  201.889  709.640  140.070 -143.5653 245.7212 
1 1 1  -26    5   11 o  655.421  112.515   7.0882   2.2260   8.7934   3.2562   5.5923   3.0498  720.314  149.275  573.117  162.486 147.1976 220.6459 
1 1 1  -26    5   13 o  725.463  103.468   8.5925   2.2838   7.4788   3.3064   9.6087   3.1583  659.807  161.372  756.940  138.349 -97.13318 212.5592 
1 1 1  -26    5   15 o  1252.28   82.397   25.039   3.2129   25.965   4.5922   24.152   4.4967  1262.91  117.473  1216.86  119.560 46.05115 167.6143 
1 1 1  -26    5   17 o  1918.71   80.444   58.531   4.8331   61.182   6.8248   55.863   6.8452  1944.60  112.565  1854.63  118.492 89.96716 163.4355 
1 1 1  -26    5   19 o  971.519   89.297   15.187   2.6861   13.621   3.9616   16.520   3.6543  899.819  145.576  1003.71  118.563 -103.8872 187.7485 
1 1 1  -26    5   21 o  1201.81   80.920   23.086   3.0274   25.732   4.3992   20.705   4.1726  1257.33  112.945  1123.86  120.448 133.4775 165.1192 
1 1 1  -26    5   23 o  644.743  134.595   7.0354   2.6295   7.1268   3.3759   6.8944   4.1928  640.527  166.708  629.153  193.759 11.37402 255.6048 
1 1 1  -26    5   25 o  815.969  101.296   10.846   2.5324   7.9243   3.7623   13.267   3.4243  672.881  176.409  895.041  125.645 -222.1591 216.5796 
1 1 1  -26    5   27 o  1477.82   80.060   34.859   3.6909   37.352   5.3203   32.545   5.1246  1515.89  112.896  1412.58  116.910 103.3115 162.5221 
1 1 1  -26    5   29 o  934.710   96.601   14.161   2.7865   10.949   4.0956   16.929   3.8022  792.909  170.061  1013.10  122.336 -220.1881 209.4919 
1 1 1  -26    5   31 o  256.971  116.950  -1.1321   2.0658   0.3481   3.2771  -2.1081   2.6611  371.914  158.880  275.323  127.964 96.59186 204.0040 
1 1 1  -26    5   33 o  1159.08   91.221   21.720   3.2840   19.709   4.9069   23.351   4.4198  1075.76  149.732  1188.56  120.420 -112.7999 192.1470 
1 1 1  -26    5   35 o  1991.61  120.048   65.529   7.4515   0.0000   0.0000   65.529   7.4515  ?   ?   1991.61  120.048 0.000000 120.0477 
1 1 1  -26    5   37 o  2915.10   94.534  137.831   8.6289  145.966   12.309  129.970   12.100  2949.74  133.270  2771.39  139.884 178.3462 193.2052 
1 1 1  -26    5   39 o  1576.64   84.696   40.269   4.1660   37.543   5.9765   42.845   5.8102  1489.44  129.433  1602.87  116.564 -113.4236 174.1839 
1 1 1  -26    5   41 o  3448.12  123.291  200.428   13.312  199.683   16.317  201.910   23.017  3373.94  154.452  3180.35  232.750 193.5859 279.3348 
1 1 1  -26    5   43 o  451.381  162.072   3.5012   2.9150   6.4772   3.5114  -3.0966   5.2284  579.855  177.109  371.532  174.831 208.3226 248.8638 
1 1 1  -26    5   45 o  648.948  162.373   8.2685   3.2914   10.596   3.9955   3.3555   5.8055  722.944  177.750  479.103  208.111 243.8406 273.6880 
1 1 1  -26    5   47 o  1467.86   89.059   36.887   4.0740   38.016   5.6606   35.674   5.8681  1427.64  127.986  1362.94  139.464 64.69946 189.2893 
1 1 1  -26    5   49 o  587.333  144.649   7.3534   2.6427   7.2905   3.3989   7.4497   4.2022  540.875  175.505  515.071  192.958 25.80365 260.8344 
1 1 1  -26    5   51 o  3535.53  127.204  259.761   14.082  252.376   19.862  267.227   19.969  2815.82  227.201  2965.43  216.557 -149.6038 313.8745 
1 1 1  -26    5   53 o  2529.82  104.879  128.654   8.3079  121.617   11.655  135.923   11.846  2038.83  184.568  2226.56  171.216 -187.7321 251.7537 
1 1 1  -26    5   55 o  1087.37  106.194   25.312   3.5696   19.240   4.8369   32.574   5.2897  674.008  208.199  1060.58  164.620 -386.5739 265.4183 
1 1 1  -26    5   57 o  1648.92  129.732   71.905   6.6442   62.734   11.122   76.994   8.2849  487.169  236.007  1411.92  192.406 -924.7493 304.4986 
1 1 1  -26    5   59 o  459.632  175.964   12.833   3.5397   11.191   5.4489   14.032   4.6560  297.291  147.992  362.791  168.832 -65.49982 224.5129 
1 1 1  -26    6    2 o  505.213  136.353   4.2826   2.2071   8.1908   4.1988   2.7904   2.5945  687.889  189.079  435.039  153.252 252.8497 243.3864 
1 1 1  -26    6    4 o  451.165  139.307   3.3215   2.1657   6.6373   4.3381   2.2208   2.4995  626.313  197.762  406.063  149.447 220.2496 247.8794 
1 1 1  -26    6    6 o  644.460  127.219   6.9290   2.4761   4.6517   4.5948   7.8610   2.9395  558.945  203.091  683.256  142.028 -124.3107 247.8259 
1 1 1  -26    6    8 o  674.868  164.472   7.8047   3.4438   6.7148   5.4011   8.5514   4.4705  640.271  221.382  700.666  196.051 -60.39417 295.7129 
1 1 1  -26    6   10 o  566.526  119.135   5.3550   2.0463   7.7091   3.0506   3.4292   2.7592  674.287  148.502  468.209  158.324 206.0789 217.0696 
1 1 1  -26    6   12 f  325.677  125.018   1.2017   1.7898   0.2975   2.6025   2.0130   2.4653  337.379  142.760  395.030  147.832 -57.65088 205.5113 
1 1 1  -26    6   14 o  661.859  109.623   7.2101   2.1924   4.0213   3.3149   9.6895   2.9229  505.692  173.514  764.299  126.563 -258.6072 214.7683 
1 1 1  -26    6   16 o  837.510   90.924   11.310   2.3461   15.747   3.6173   8.0880   3.0824  980.387  120.362  690.233  147.117 290.1542 190.0794 
1 1 1  -26    6   18 o  722.300  102.771   8.5212   2.2588   8.1704   3.4907   8.7738   2.9627  688.438  164.227  722.833  135.888 -34.39545 213.1575 
1 1 1  -26    6   20 o  561.345  119.379   5.2779   2.0338   5.0235   3.0691   5.4771   2.7156  545.137  165.373  566.433  150.535 -21.29675 223.6270 
1 1 1  -26    6   22 o  2122.80   81.989   71.680   5.4498   80.444   7.8100   63.364   7.6083  2233.84  111.656  1972.64  123.802 261.1996 166.7159 
1 1 1  -26    6   24 o  1084.04   87.578   18.849   2.9474   23.181   4.4875   15.562   3.9087  1190.29  122.132  969.265  132.236 221.0253 180.0075 
1 1 1  -26    6   26 o  2325.18   85.022   86.134   6.1902   87.124   8.8640   85.191   8.6486  2314.03  122.773  2289.34  121.078 24.68677 172.4327 
1 1 1  -26    6   28 o  362.426  134.682   1.7278   2.0391   1.7298   2.9766   1.7260   2.7992  403.592  159.401  395.792  155.125 7.799713 222.4239 
1 1 1  -26    6   30 o  1702.87   82.538   46.240   4.4010   42.956   6.3211   49.330   6.1312  1617.74  125.774  1741.77  113.029 -124.0308 169.0998 
1 1 1  -26    6   32 o  323.017  129.314   0.9523   1.9844  -3.6932   3.0936   4.2002   2.5867  273.166  130.262  497.664  152.012 -224.4977 200.1895 
1 1 1  -26    6   34 o  949.807  110.393   14.869   3.2219   16.618   6.3254   14.256   3.7440  942.963  218.503  919.228  134.019 23.73535 256.3287 
1 1 1  -26    6   36 o  2875.72  109.002  135.191   9.8152  128.217   17.012  138.671   12.017  2655.14  206.239  2882.67  133.133 -227.5356 245.4773 
1 1 1  -26    6   38 o  684.105  147.987   8.2350   3.0779   11.351   3.7424   1.7213   5.4106  802.680  154.504  478.918  204.359 323.7628 256.1915 
1 1 1  -26    6   40 o  4035.84  135.650  276.605   17.142  276.411   21.012  276.992   29.644  3947.49  169.991  3674.20  259.334 273.2837 310.0826 
1 1 1  -26    6   42 o  2567.05  106.376  109.586   8.5506  106.211   10.463  116.373   14.836  2480.33  135.229  2482.39  192.375 -2.051758 235.1487 
1 1 1  -26    6   44 o  1167.91  116.955   23.594   4.2196   26.963   5.2727   17.595   7.0370  1225.01  139.973  864.380  247.425 360.6251 284.2734 
1 1 1  -26    6   46 o  3371.67  108.494  198.775   11.454  196.292   16.190  201.263   16.208  3139.59  165.268  3188.97  162.855 -49.38086 232.0240 
1 1 1  -26    6   48 o  2378.69   94.109   99.247   7.0095  101.918   9.7811   96.427   10.050  2272.58  138.107  2176.47  148.355 96.11353 202.6884 
1 1 1  -26    6   50 o  2137.84   91.585   82.236   6.1308   79.318   8.5554   85.316   8.7898  1928.02  142.727  2006.77  140.775 -78.74902 200.4711 
1 1 1  -26    6   52 o  953.696  110.502   18.236   3.2387   15.658   4.4324   21.190   4.7439  725.427  192.098  896.704  175.238 -171.2773 260.0192 
1 1 1  -26    6   54 o  946.170  116.281   19.436   3.3725   13.467   4.4874   27.184   5.1125  564.817  201.268  971.014  174.566 -406.1970 266.4252 
1 1 1  -26    6   56 o  1810.17  126.353   80.755   7.1169   71.364   11.942   85.927   8.8626  584.003  271.315  1601.05  179.896 -1017.049 325.5371 
1 1 1  -26    6   58 o  531.421  181.898   13.813   3.6425   9.9059   5.5353   16.797   4.8376  311.810  154.163  446.457  191.939 -134.6466 246.1841 
1 1 1  -26    7    1 o  1438.72   89.234   32.997   4.0001   34.863   7.1723   32.155   4.8193  1451.01  160.550  1413.72  109.729 37.29077 194.4648 
1 1 1  -26    7    3 o  279.379  120.221  -0.0872   1.9011   6.5717   3.8305  -2.2636   2.1899  621.830  183.877  240.739  113.242 381.0907 215.9503 
1 1 1  -26    7    5 o  1062.61   97.755   18.142   3.2161   18.476   5.6850   17.984   3.9002  1042.14  180.769  1051.03  120.702 -8.883179 217.3622 
1 1 1  -26    7    7 o  351.252  133.035   1.4830   2.0096  -1.0998   4.0941   2.3028   2.3066  382.516  170.118  402.835  144.219 -20.31949 223.0237 
1 1 1  -26    7    9 f  409.739  129.909   2.6873   1.8705  -2.6959   2.8335   6.8445   2.4901  277.049  129.837  640.269  128.668 -363.2193 182.7925 
1 1 1  -26    7   11 o  1377.28   78.068   30.155   3.3529   36.910   4.8976   24.196   4.5998  1515.77  103.814  1219.48  122.102 296.2910 160.2695 
1 1 1  -26    7   13 o  587.749  118.037   5.7475   2.0969   3.8215   3.1512   7.2781   2.8092  494.722  169.186  657.029  140.781 -162.3075 220.0986 
1 1 1  -26    7   15 o  365.090  129.393   1.9093   1.8522   3.7058   3.1264   0.9376   2.2992  488.948  168.467  342.803  138.500 146.1446 218.0897 
1 1 1  -26    7   17 o  564.241  123.621   5.3349   2.1237   8.9922   3.2389   2.5765   2.8128  729.505  146.873  432.034  158.608 297.4712 216.1673 
1 1 1  -26    7   19 o  280.389  118.595   0.1628   1.7948  -1.2042   3.0709   0.8720   2.2119  323.565  145.366  335.076  135.681 -11.51053 198.8480 
1 1 1  -26    7   21 o  1567.37   80.118   39.098   3.9189   38.008   5.6669   40.097   5.4253  1530.32  119.203  1575.85  110.650 -45.52844 162.6430 
1 1 1  -26    7   23 o  1688.00   79.878   45.236   4.2220   44.898   6.0780   45.552   5.8690  1664.65  117.358  1679.15  112.271 -14.50439 162.4123 
1 1 1  -26    7   25 o  3919.18  108.478  246.865   13.312  256.510   18.896  237.361   18.757  3944.89  152.976  3788.27  158.131 156.6135 220.0154 
1 1 1  -26    7   27 o  316.291  135.834   0.0098   2.4182   2.2183   3.2426  -2.7574   3.6296  432.759  167.692  322.843  149.847 109.9166 224.8880 
1 1 1  -26    7   29 o  1071.88   92.250   18.500   3.0660   16.607   4.6247   19.985   4.0954  991.107  154.021  1103.97  120.429 -112.8592 195.5134 
1 1 1  -26    7   31 o  1266.86   87.627   25.776   3.4547   20.505   5.0278   30.490   4.7549  1102.67  149.471  1367.85  111.997 -265.1794 186.7752 
1 1 1  -26    7   33 o  1330.66   96.916   28.661   4.0104   33.076   7.5017   26.894   4.7454  1379.86  177.757  1277.72  120.016 102.1470 214.4789 
1 1 1  -26    7   35 o  2241.09   85.149   80.583   5.9752   80.214   8.5234   80.940   8.3790  2203.31  124.048  2215.90  121.220 -12.59009 173.4422 
1 1 1  -26    7   37 o  1156.87  131.687   22.550   4.6853   18.365   7.0150   25.921   6.2952  972.186  233.396  1214.07  170.280 -241.8818 288.9103 
1 1 1  -26    7   39 f  1491.82  102.338   36.521   4.7516   37.474   5.8338   34.644   8.1897  1493.97  125.881  1373.83  195.930 120.1399 232.8829 
1 1 1  -26    7   41 o  1063.81  117.117   19.096   3.8366   18.063   4.7019   21.153   6.6369  1009.39  153.608  1043.82  210.327 -34.43085 260.4470 
1 1 1  -26    7   43 o  2098.01  103.896   73.586   6.8253   69.174   8.4192   82.044   11.657  1986.36  136.184  2082.56  180.555 -96.19800 226.1558 
1 1 1  -26    7   45 o  1467.14   91.540   36.257   4.1843   37.155   5.9814   35.397   5.8556  1427.63  135.426  1392.43  136.039 35.19531 191.9552 
1 1 1  -26    7   47 o  4425.37  140.452  378.490   19.462  379.835   27.544  377.148   27.503  3874.64  228.036  3855.93  228.817 18.70654 323.0442 
1 1 1  -26    7   49 f  2571.10   97.802  119.006   7.8738  113.943   11.095  124.143   11.175  2299.26  155.017  2431.44  147.483 -132.1804 213.9665 
1 1 1  -26    7   51 o  3076.67  111.932  185.295   10.783  167.633   15.147  203.444   15.355  2447.95  199.340  2856.66  172.471 -408.7117 263.5958 
1 1 1  -26    7   53 o  1654.73  115.352   57.287   5.9394   55.250   9.7785   58.478   7.4766  1021.84  291.379  1506.99  160.934 -485.1417 332.8683 
1 1 1  -26    7   55 o  2229.77  131.190  120.113   9.1193  110.115   15.489  125.417   11.282  693.133  317.279  1967.28  185.333 -1274.151 367.4427 
1 1 1  -26    7   57 o  324.168  147.573   4.8242   3.2921   6.8708   4.7018   2.8559   4.6110  323.915  156.049  282.590  139.892 41.32486 209.5740 
1 1 1  -26    8    2 o  398.544  138.251   2.3408   2.1072   8.0233   4.1833   0.4088   2.4392  684.282  188.994  332.896  139.388 351.3860 234.8352 
1 1 1  -26    8    4 o  239.641  114.535  -3.1912   2.4201   0.0000   0.0000  -3.1912   2.4201  ?   ?   239.641  114.535 0.000000 114.5346 
1 1 1  -26    8    6 o  480.527  125.871   3.8514   1.9165   6.4863   3.0453   2.1234   2.4661  618.603  156.962  401.402  148.321 217.2006 215.9541 
1 1 1  -26    8    8 o  922.576   86.393   13.619   2.4667   16.228   3.8466   11.797   3.2147  996.627  126.082  847.887  124.817 148.7404 177.4143 
1 1 1  -26    8   10 o  334.796  123.905   1.4376   1.7224   0.9588   2.9337   1.6893   2.1277  378.247  155.083  366.856  137.328 11.39188 207.1465 
1 1 1  -26    8   12 o  696.311  104.214   7.9056   2.2023   12.911   3.6540   5.0496   2.7600  883.513  136.477  547.724  154.324 335.7889 206.0142 
1 1 1  -26    8   14 o  699.924  108.326   8.0128   2.2974   8.3155   3.5754   7.7999   2.9983  697.459  166.095  680.317  145.175 17.14172 220.5981 
1 1 1  -26    8   16 o  443.835  131.867   3.2405   1.9665   2.7912   3.0631   3.5555   2.5648  450.393  165.489  470.724  152.428 -20.33051 224.9908 
1 1 1  -26    8   18 o  1441.15   81.268   33.039   3.6523   32.218   5.3495   33.757   4.9987  1409.03  122.466  1446.93  111.179 -37.89514 165.4050 
1 1 1  -26    8   20 o  779.519   99.789   9.8485   2.3798   8.8983   3.5879   10.595   3.1801  722.161  162.583  799.625  131.587 -77.46436 209.1612 
1 1 1  -26    8   22 o  1743.79   79.231   48.209   4.3262   51.523   6.2658   45.190   5.9805  1788.19  112.477  1673.24  114.841 114.9517 160.7468 
1 1 1  -26    8   24 o  2611.99   86.847  108.492   7.1031  119.468   10.183   98.090   9.9132  2722.22  119.461  2457.59  129.275 264.6265 176.0195 
1 1 1  -26    8   26 o  1961.71   95.655   61.453   5.8757   67.931   7.3256   49.769   9.8385  2050.94  114.528  1711.32  186.629 339.6194 218.9686 
1 1 1  -26    8   28 o  3690.57  105.162  218.754   12.153  231.456   17.266  206.285   17.108  3751.40  146.988  3532.46  154.667 218.9470 213.3713 
1 1 1  -26    8   30 o  1020.61  105.363   16.934   3.3187   15.796   5.8747   17.467   4.0220  940.204  205.301  1028.12  127.684 -87.91937 241.7673 
1 1 1  -26    8   32 o  1494.98   96.445   36.051   4.4907   39.324   8.2671   34.681   5.3485  1510.65  178.203  1455.44  118.387 55.20947 213.9433 
1 1 1  -26    8   34 o  1343.64  101.769   29.333   4.2499   29.235   5.4358   29.486   6.8164  1324.81  132.827  1305.96  170.781 18.84326 216.3545 
1 1 1  -26    8   36 o  1745.12   97.990   49.400   5.3329   48.032   6.6614   51.843   8.8997  1701.66  125.912  1733.37  166.000 -31.71399 208.3507 
1 1 1  -26    8   38 o  2073.92  125.235   71.586   8.0946   71.312   11.574   71.848   11.325  1999.37  187.049  2013.94  181.536 -14.57483 260.6581 
1 1 1  -26    8   40 o  2168.13   87.995   76.140   5.9739   78.920   8.5160   73.447   8.3823  2166.73  126.066  2086.80  128.913 79.92651 180.3089 
1 1 1  -26    8   42 o  1417.62   90.217   33.010   3.9838   33.045   5.6718   32.976   5.5969  1381.77  132.723  1382.11  130.886 -0.3414307 186.4042 
1 1 1  -26    8   44 o  1256.06  116.909   27.433   4.5453   28.138   5.5512   26.000   7.9173  1239.37  145.834  1061.73  243.352 177.6355 283.7034 
1 1 1  -26    8   46 o  949.835  111.889   16.098   3.2639   17.447   4.9033   15.024   4.3738  910.678  178.332  854.404  169.469 56.27356 246.0124 
1 1 1  -26    8   48 o  2711.02   99.652  130.833   8.4593  128.447   11.970  133.214   11.957  2482.76  154.739  2544.44  150.746 -61.67749 216.0292 
1 1 1  -26    8   50 o  548.173  177.189   7.9236   3.4669   6.6383   6.2248   8.5015   4.1743  442.548  202.028  532.869  193.581 -90.32092 279.8015 
1 1 1  -26    8   52 o  1430.57  118.071   41.988   5.2417   53.958   9.0905   36.025   6.4157  1234.48  243.821  1156.33  183.305 78.14880 305.0402 
1 1 1  -26    8   54 o  911.214  143.212   20.225   3.9514   18.652   6.2830   21.255   5.0823  546.181  225.769  778.328  205.504 -232.1467 305.2925 
1 1 1  -26    8   56 o  2267.33  106.172  112.243   7.5377  102.067   10.479  123.155   10.851  1597.81  214.893  1904.92  184.217 -307.1051 283.0458 
1 1 1  -26    9    1 o  1136.41   97.603   20.651   3.4394   12.059   6.3061   24.289   4.1034  831.072  232.956  1230.49  107.582 -399.4161 256.5976 
1 1 1  -26    9    3 o  1812.82   92.738   52.262   5.2465   46.894   9.2990   54.769   6.3546  1681.50  179.382  1850.06  110.193 -168.5582 210.5242 
1 1 1  -26    9    5 o  264.570  116.503  -0.4740   1.8742  -1.0721   2.4459   0.3766   2.9170  288.662  129.705  359.876  151.647 -71.21472 199.5504 
1 1 1  -26    9    7 o  851.769   95.667   11.665   2.5074   9.2147   3.7728   13.604   3.3558  737.020  167.305  914.240  120.132 -177.2197 205.9682 
1 1 1  -26    9    9 o  1004.39   86.845   16.106   2.7044   18.586   3.9407   13.897   3.7182  1070.80  119.573  920.172  132.896 150.6220 178.7713 
1 1 1  -26    9   11 o  400.566  128.072   2.5379   1.8150   0.9998   2.9644   3.4602   2.2956  381.906  156.158  462.134  143.544 -80.22797 212.1087 
1 1 1  -26    9   13 o  1335.29   90.549   28.432   3.7636   36.931   6.8177   24.707   4.5137  1501.97  146.841  1236.30  118.032 265.6710 188.3980 
1 1 1  -26    9   15 o  1107.83   85.084   19.566   2.9289   23.418   4.5205   16.780   3.8452  1201.93  121.794  1015.01  123.534 186.9283 173.4776 
1 1 1  -26    9   17 o  652.868  113.274   7.0063   2.2317   3.8983   3.4491   9.2447   2.9270  507.049  176.820  747.613  129.738 -240.5638 219.3104 
1 1 1  -26    9   19 o  1859.26   78.866   54.723   4.5914   62.103   6.7251   48.280   6.2839  1967.76  109.580  1731.52  116.578 236.2477 159.9948 
1 1 1  -26    9   21 o  601.581  120.764   6.0114   2.1958   10.258   3.4563   3.1374   2.8433  782.824  146.386  458.686  160.509 324.1381 217.2370 
1 1 1  -26    9   23 o  2004.28   82.182   63.703   5.1577   69.739   7.5134   58.325   7.0928  2081.14  115.755  1900.83  119.780 180.3170 166.5728 
1 1 1  -26    9   25 o  946.571  114.931   14.592   3.3366   18.375   4.3136   8.9583   5.2646  1057.23  133.264  716.074  216.448 341.1570 254.1834 
1 1 1  -26    9   27 o  1874.43   81.427   55.796   4.7792   51.834   6.8604   59.531   6.6616  1786.57  123.392  1921.52  111.192 -134.9562 166.1001 
1 1 1  -26    9   29 o  944.267   95.990   14.400   2.7987   12.878   4.2379   15.578   3.7271  868.752  161.741  972.486  125.312 -103.7336 204.6049 
1 1 1  -26    9   31 o  1719.41   95.976   47.533   5.1466   44.912   6.4163   52.261   8.6183  1656.38  124.625  1765.13  157.587 -108.7449 200.9102 
1 1 1  -26    9   33 o  709.777  133.780   8.5238   2.8642   8.2069   3.7038   8.9952   4.5175  682.627  173.046  707.433  196.773 -24.80652 262.0390 
1 1 1  -26    9   35 o  1603.40   97.586   41.595   4.8761   44.503   6.1422   36.639   8.0187  1645.27  120.055  1449.53  180.585 195.7343 216.8501 
1 1 1  -26    9   37 o  2011.20   85.512   64.937   5.3852   66.165   7.7116   63.768   7.5234  2000.01  123.747  1964.01  122.955 35.99829 174.4453 
1 1 1  -26    9   39 o  1677.15   87.007   45.494   4.5535   49.125   6.5476   42.093   6.3369  1716.42  122.634  1583.19  128.948 133.2299 177.9514 
1 1 1  -26    9   41 o  1564.89   87.461   39.922   4.2685   38.707   6.0265   41.145   6.0467  1506.48  129.000  1557.24  125.062 -50.75916 179.6706 
1 1 1  -26    9   43 o  206.358  101.372  -4.1420   2.2666  -8.6587   3.3324  -0.2530   3.0921  220.543  110.666  330.817  147.436 -110.2736 184.3481 
1 1 1  -26    9   45 o  958.918  130.132   16.795   3.8064   19.151   4.6579   12.059   6.6042  997.845  154.036  668.107  243.372 329.7382 288.0227 
1 1 1  -26    9   47 o  346.201  151.661   1.1168   3.1401  -0.4017   5.7062   1.7763   3.7608  382.578  180.819  378.519  165.892 4.059601 245.3888 
1 1 1  -26    9   49 o  2541.45  119.229  123.378   9.4882  121.874   16.397  124.135   11.634  1858.90  291.275  2401.58  155.539 -542.6823 330.2020 
1 1 1  -26    9   51 o  378.132  161.743   3.4138   3.4041   14.236   5.9138  -1.9488   4.1630  585.235  226.549  294.081  142.914 291.1537 267.8602 
1 1 1  -26    9   53 o  459.143  164.103   6.2449   2.9853   5.8791   4.1151   6.6512   4.3372  404.650  175.491  417.312  180.574 -12.66254 251.8014 
1 1 1  -26    9   55 o  477.629  168.167   7.8637   3.1237   4.7021   4.2761   11.481   4.5741  344.284  160.746  477.449  194.456 -133.1652 252.2947 
1 1 1  -26    9   57 o  1167.80  141.134   37.546   5.0561   39.046   5.9945   33.848   9.4120  1016.32  195.467  409.117  202.040 607.1987 281.1185 
1 1 1  -26   10    2 o  783.243  100.863   9.8921   2.4162   8.8038   3.6471   10.743   3.2257  722.953  164.777  809.077  131.867 -86.12347 211.0455 
1 1 1  -26   10    4 o  333.702  126.281   1.3038   1.8098  -0.8635   2.8784   2.7206   2.3273  323.061  143.208  426.073  145.399 -103.0115 204.0819 
1 1 1  -26   10    6 f  1321.57   95.401   27.837   3.9213   28.550   4.9520   26.639   6.4211  1331.70  120.046  1270.53  165.318 61.17114 204.3063 
1 1 1  -26   10    8 o  707.210  110.039   8.1461   2.3575   6.0564   3.5841   9.7399   3.1300  602.271  177.801  768.174  135.055 -165.9036 223.2782 
1 1 1  -26   10   10 o  1888.89   79.943   56.389   4.7283   60.206   6.8034   52.823   6.5761  1939.80  112.492  1815.21  116.309 124.5884 161.8096 
1 1 1  -26   10   12 o  925.010   90.371   13.686   2.5841   12.841   4.0052   14.288   3.3822  879.453  150.874  938.672  117.658 -59.21887 191.3282 
1 1 1  -26   10   14 f  890.255   96.099   12.725   2.6364   12.720   3.9896   12.728   3.5126  874.880  151.096  881.171  131.318 -6.290588 200.1860 
1 1 1  -26   10   16 o  1165.57   83.823   21.613   3.0388   24.008   4.4940   19.594   4.1248  1219.32  119.231  1099.67  121.840 119.6527 170.4733 
1 1 1  -26   10   18 o  1298.40   83.338   26.797   3.3703   23.786   5.1424   29.064   4.4623  1206.80  138.602  1346.14  106.740 -139.3374 174.9398 
1 1 1  -26   10   20 o  768.734  108.715   9.6090   2.5439   12.090   3.8786   7.7356   3.3700  851.366  151.023  675.489  161.514 175.8767 221.1208 
1 1 1  -26   10   22 o  2917.21   91.806  135.198   8.3860  137.441   11.932  133.008   11.789  2919.77  130.509  2871.92  131.091 47.84229 184.9797 
1 1 1  -26   10   24 o  1628.83   96.383   42.391   4.8939   44.650   6.0889   38.268   8.2255  1663.74  117.636  1511.67  177.133 152.0724 212.6373 
1 1 1  -26   10   26 o  792.139  111.529   10.249   2.6897   7.8850   4.1644   11.940   3.5232  675.245  189.320  847.885  137.408 -172.6407 233.9296 
1 1 1  -26   10   28 o  699.411  136.391   8.2130   2.8797   8.9477   3.8071   7.2305   4.4026  719.934  171.355  647.374  198.411 72.55988 262.1632 
1 1 1  -26   10   30 o  1595.55   96.804   40.888   4.8135   42.282   5.9897   38.344   8.0882  1612.14  119.507  1503.03  175.142 109.1134 212.0294 
1 1 1  -26   10   32 o  2095.12   95.296   70.354   6.2517   74.545   7.7549   62.574   10.566  2141.88  116.062  1915.06  178.244 226.8201 212.6998 
1 1 1  -26   10   34 o  1732.71   83.178   47.933   4.5128   46.751   6.4166   49.090   6.3482  1688.55  122.185  1733.27  117.664 -44.71411 169.6294 
1 1 1  -26   10   36 o  1085.39   96.463   19.119   3.2442   19.509   4.4809   18.690   4.7032  1078.50  135.690  1049.34  147.189 29.16248 200.1909 
1 1 1  -26   10   38 o  1740.21   85.243   48.674   4.6449   52.096   6.6076   45.331   6.5308  1774.85  119.593  1649.19  127.456 125.6599 174.7789 
1 1 1  -26   10   40 o  2378.75   88.829   91.762   6.6164   90.512   9.3395   93.021   9.3745  2315.35  129.339  2349.12  127.928 -33.77661 181.9180 
1 1 1  -26   10   42 o  935.494  111.886   14.898   3.2124   8.3678   4.4977   21.699   4.5898  643.268  201.107  1112.39  134.502 -469.1187 241.9399 
1 1 1  -26   10   44 o  2081.25  104.882   74.071   6.8131   72.105   11.927   75.023   8.3007  1835.85  211.336  2048.98  130.051 -213.1272 248.1452 
1 1 1  -26   10   46 o  754.401  187.890   12.625   4.4216   12.972   6.4167   12.312   6.1014  670.210  240.481  662.589  234.842 7.621155 336.1278 
1 1 1  -26   10   48 o  1311.33  116.710   32.040   4.7421   25.042   8.3267   35.399   5.7691  822.320  275.052  1333.31  140.290 -510.9901 308.7633 
1 1 1  -26   10   50 o  721.857  144.174   11.154   3.1447   12.774   4.3136   9.3170   4.5943  690.823  192.327  544.991  202.232 145.8317 279.0833 
1 1 1  -26   10   52 o  623.739  180.526   10.934   3.7275   9.4556   4.4500   14.411   6.8242  513.807  197.155  516.043  224.883 -2.235779 299.0695 
1 1 1  -26   10   54 o  1434.89  122.785   45.143   5.4636   46.925   6.6825   41.550   9.4887  1326.42  164.420  700.094  281.884 626.3249 326.3315 
1 1 1  -26   10   56 o  706.650  188.908   17.862   4.2605   18.075   5.0674   17.347   7.8691  582.852  213.051  386.921  189.830 195.9313 285.3529 
1 1 1  -26   11    1 o  606.925  127.042   6.0945   2.3369   5.5594   3.4440   6.5511   3.1813  581.048  174.940  625.080  161.414 -44.03180 238.0303 
1 1 1  -26   11    3 o  2190.97   83.311   75.816   5.7155   76.963   8.1930   74.728   7.9772  2194.26  119.696  2162.62  118.251 31.64209 168.2571 
1 1 1  -26   11    5 o  292.641  120.786   0.4222   1.7945   1.6539   2.8333  -0.4028   2.3188  400.614  156.329  299.857  130.869 100.7565 203.8760 
1 1 1  -26   11    7 o  1171.24   98.218   21.894   3.5688   26.751   4.5663   14.269   5.7208  1291.47  114.090  913.554  205.025 377.9187 234.6315 
1 1 1  -26   11    9 o  1008.18   87.727   16.193   2.7418   17.933   3.9291   14.542   3.8279  1053.47  121.327  944.118  133.184 109.3488 180.1617 
1 1 1  -26   11   11 o  1366.28   95.026   29.721   4.0401   30.190   5.0242   28.862   6.7962  1370.93  118.196  1323.48  167.760 47.44617 205.2163 
1 1 1  -26   11   13 o  1175.46   84.071   21.953   3.0739   23.934   4.4796   20.189   4.2259  1219.09  118.862  1117.66  122.775 101.4341 170.8857 
1 1 1  -26   11   15 o  293.363  122.753   0.2817   1.8900  -0.5706   3.1531   0.7596   2.3612  347.084  152.013  341.790  139.517 5.293732 206.3324 
1 1 1  -26   11   17 o  1982.10   81.749   62.112   5.0737   64.049   7.2960   60.297   7.0604  1999.41  117.049  1939.87  116.779 59.53101 165.3415 
1 1 1  -26   11   19 o  635.571  125.960   6.6906   2.4182   6.6835   3.6364   6.6961   3.2378  629.175  177.093  629.687  162.958 -0.5125122 240.6598 
1 1 1  -26   11   21 o  1397.01   84.063   31.009   3.6601   29.248   5.4316   32.475   4.9537  1342.64  130.859  1421.79  112.181 -79.14856 172.3625 
1 1 1  -26   11   23 o  2145.84   98.734   73.291   6.6341   75.084   8.1252   69.707   11.490  2160.15  120.606  2046.83  181.154 113.3102 217.6291 
1 1 1  -26   11   25 o  533.373  137.848   4.7799   2.3189   2.8687   3.6667   6.0537   2.9935  474.270  179.683  597.502  157.698 -123.2321 239.0701 
1 1 1  -26   11   27 o  3420.69  116.923  188.210   12.524  191.399   15.366  181.900   21.614  3426.80  143.204  3258.69  212.993 168.1099 256.6582 
1 1 1  -26   11   29 o  1108.86  103.356   19.856   3.5473   18.520   4.4561   22.166   5.8611  1058.25  137.742  1145.12  168.497 -86.87598 217.6333 
1 1 1  -26   11   31 o  2099.01   97.591   70.537   6.4142   61.384   11.045   75.194   7.8787  1894.72  188.683  2153.81  117.266 -259.0890 222.1544 
1 1 1  -26   11   33 o  2501.04   87.776   99.880   6.8741   97.627   9.7681  102.091   9.6754  2442.96  128.143  2504.86  123.358 -61.90356 177.8707 
1 1 1  -26   11   35 o  1106.56   99.480   19.856   3.4101   21.527   4.7359   18.057   4.9142  1136.32  135.793  1028.82  157.560 107.4939 208.0017 
1 1 1  -26   11   37 o  490.228  151.398   4.0927   2.5578   2.6989   3.3716   5.9825   3.9260  448.324  171.712  583.747  188.542 -135.4224 255.0155 
1 1 1  -26   11   39 f  1344.95   93.605   29.468   3.9175   25.562   5.4466   33.654   5.6386  1219.34  145.529  1413.96  128.768 -194.6266 194.3188 
1 1 1  -26   11   41 o  1091.10  120.894   20.315   4.0609   22.449   7.0383   19.250   4.9720  1055.66  220.058  1032.51  158.882 23.15271 271.4203 
1 1 1  -26   11   43 o  1269.99  116.276   27.916   4.5725   33.618   7.8868   25.029   5.6120  1280.82  203.454  1156.49  159.194 124.3339 258.3338 
1 1 1  -26   11   45 o  475.373  173.304   4.5615   3.3499   2.5522   5.9087   5.5132   4.0665  451.664  202.366  507.616  189.886 -55.95175 277.5042 
1 1 1  -26   11   47 o  1459.95  115.533   38.867   5.2384   38.869   6.3420   38.861   9.2931  1402.22  146.610  1168.39  260.638 233.8263 299.0432 
1 1 1  -26   11   49 f  1112.24  128.224   24.249   4.3839   19.882   5.2501   34.306   7.9673  902.883  191.632  1081.39  241.406 -178.5093 308.2199 
1 1 1  -26   11   51 o  299.409  139.018   0.0956   3.1279   0.6071   3.6319  -1.3734   6.1550  321.750  149.526  340.930  167.391 -19.17905 224.4503 
1 1 1  -26   11   53 o  1980.25  119.620   81.789   7.3824   76.676   8.9554   92.631   13.041  1724.35  167.993  1349.98  314.380 374.3737 356.4502 
1 1 1  -26   11   55 o  324.208  155.361   3.0257   4.5174   3.4729   6.0888   2.4781   6.7375  327.996  162.076  321.146  160.594 6.849884 228.1644 
1 1 1  -26   12    2 o  609.262  128.586   6.1389   2.3760   5.3093   3.5447   6.8158   3.2018  572.108  178.482  638.028  160.430 -65.91992 239.9867 
1 1 1  -26   12    4 o  1028.84   90.879   16.860   2.8976   18.013   4.3437   15.935   3.8895  1053.41  134.779  991.564  128.280 61.84119 186.0674 
1 1 1  -26   12    6 o  1309.79   84.519   27.197   3.4478   29.032   4.9385   25.451   4.8158  1345.63  118.412  1257.85  123.879 87.78748 171.3694 
1 1 1  -26   12    8 o  972.819  108.008   15.201   3.2345   20.563   4.2078   7.4564   5.0570  1130.07  120.785  673.593  213.609 456.4749 245.3937 
1 1 1  -26   12   10 o  1490.89   82.128   35.192   3.8192   37.078   5.5453   33.491   5.2679  1521.82  117.275  1445.87  117.369 75.94763 165.9180 
1 1 1  -26   12   12 o  823.157   99.479   10.890   2.5121   9.4402   3.6115   12.249   3.4964  751.500  158.467  865.538  133.288 -114.0381 207.0687 
1 1 1  -26   12   14 o  1231.17   85.703   24.069   3.2833   22.890   4.7363   25.160   4.5556  1189.84  129.202  1251.30  117.651 -61.46545 174.7424 
1 1 1  -26   12   16 o  387.932  133.270   2.2179   1.9558   0.8426   3.1748   3.0590   2.4829  389.135  160.640  447.505  150.192 -58.37018 219.9157 
1 1 1  -26   12   18 o  581.164  125.909   5.6047   2.2250   3.0985   3.3215   7.6449   2.9968  474.479  172.632  676.547  145.764 -202.0671 225.9398 
1 1 1  -26   12   20 o  1559.58   81.520   38.557   3.9671   37.425   5.7017   39.618   5.5233  1525.40  120.350  1572.17  112.950 -46.76477 165.0507 
1 1 1  -26   12   22 o  657.074  123.404   7.1327   2.4457   11.443   3.5300   3.1533   3.3917  831.651  140.566  477.595  174.343 354.0563 223.9514 
1 1 1  -26   12   24 o  1915.59   95.654   58.343   5.7375   60.206   7.1453   54.960   9.6266  1934.68  118.519  1822.29  170.698 112.3932 207.8091 
1 1 1  -26   12   26 o  1590.59   97.764   40.447   4.8456   43.383   6.1468   35.626   7.8755  1638.84  120.630  1459.02  175.934 179.8253 213.3177 
1 1 1  -26   12   28 o  2013.33   96.289   64.627   6.0703   69.466   7.5451   55.747   10.221  2075.68  116.561  1821.22  181.654 254.4563 215.8343 
1 1 1  -26   12   30 o  968.103  113.954   15.269   3.3882   11.771   6.0267   16.886   4.0970  809.513  228.029  1012.10  132.456 -202.5921 263.7081 
1 1 1  -26   12   32 o  1688.94   83.354   45.379   4.4082   49.512   6.3684   41.577   6.1080  1747.22  117.080  1597.56  123.049 149.6582 169.8493 
1 1 1  -26   12   34 o  1096.15   94.011   19.373   3.1955   20.501   4.5335   18.260   4.5049  1112.41  132.777  1045.33  141.248 67.07227 193.8580 
1 1 1  -26   12   36 o  595.413  148.604   6.1400   2.7618   3.1683   3.8663   9.2362   3.9464  481.446  184.000  721.611  176.187 -240.1648 254.7507 
1 1 1  -26   12   38 o  1806.53  101.737   53.242   5.7315   53.819   10.083   52.967   6.9663  1734.79  188.669  1783.27  125.560 -48.47766 226.6307 
1 1 1  -26   12   40 o  1801.01  103.644   53.666   5.8202   45.470   10.052   57.799   7.1384  1529.95  215.829  1848.11  124.075 -318.1626 248.9516 
1 1 1  -26   12   42 o  728.985  169.041   10.171   3.7836   4.2697   6.1312   13.800   4.8083  520.726  219.664  835.038  188.378 -314.3123 289.3762 
1 1 1  -26   12   44 o  1869.28  105.010   59.988   6.1215   55.423   7.4000   69.883   10.895  1744.84  136.533  1842.05  191.698 -97.20984 235.3498 
1 1 1  -26   12   46 o  823.039  158.664   13.616   3.9408   13.542   4.5782   13.827   7.7422  782.266  189.015  651.729  257.181 130.5374 319.1688 
1 1 1  -26   12   48 o  433.670  174.469   4.0848   3.6317   5.2060   4.1994   0.7580   7.2334  465.697  187.519  411.196  196.926 54.50089 271.9249 
1 1 1  -26   12   50 o  1195.48  126.610   28.311   4.6673   25.506   5.4257   36.292   9.1531  1053.64  170.262  955.104  284.662 98.53143 331.6953 
1 1 1  -26   12   52 o  675.004  189.088   12.903   4.1561   8.0647   4.8272   26.763   8.1706  469.658  196.319  701.253  267.610 -231.5956 331.8978 
1 1 1  -26   12   54 o  497.107  188.064   9.2586   4.0131   3.1101   4.6544   27.074   7.9228  343.016  162.473  616.415  254.040 -273.3989 301.5520 
1 1 1  -26   13    1 o  1147.71  105.327   21.048   3.7429   20.178   6.6799   21.446   4.5190  1095.15  202.246  1153.35  127.249 -58.19519 238.9475 
1 1 1  -26   13    3 o  876.374  120.406   12.434   3.2168   14.272   3.9985   9.0633   5.4160  934.766  140.991  734.783  218.965 199.9833 260.4307 
1 1 1  -26   13    5 o  905.276   98.894   13.119   2.7577   14.356   4.1783   12.164   3.6707  935.811  147.475  861.532  140.945 74.27893 203.9961 
1 1 1  -26   13    7 f  1725.85   82.481   46.989   4.4573   51.176   6.3961   43.035   6.2149  1791.32  114.634  1640.05  121.893 151.2723 167.3284 
1 1 1  -26   13    9 o  518.161  157.330   4.3572   2.7769   4.4010   3.5250   4.2857   4.5083  534.024  178.959  554.318  201.208 -20.29364 269.2781 
1 1 1  -26   13   11 f  706.488  111.689   8.1126   2.3886   14.031   3.3470   1.9703   3.4099  932.268  117.251  438.170  171.357 494.0978 207.6321 
1 1 1  -26   13   13 o  1565.08   81.243   38.754   3.9678   42.763   5.7580   35.129   5.4751  1636.49  113.062  1480.86  119.083 155.6271 164.2066 
1 1 1  -26   13   15 o  736.696  107.853   8.7933   2.4142   10.043   3.5173   7.6796   3.3198  777.953  149.824  676.762  159.304 101.1910 218.6895 
1 1 1  -26   13   17 o  1315.79   83.672   27.460   3.4294   25.279   4.9291   29.506   4.7745  1251.44  127.571  1357.01  113.405 -105.5642 170.6897 
1 1 1  -26   13   19 o  1225.82   86.625   23.883   3.3036   22.648   4.8439   24.956   4.5171  1181.49  133.260  1245.67  117.186 -64.18079 177.4563 
1 1 1  -26   13   21 o  1266.38  101.264   25.638   3.9819   26.091   4.9298   24.788   6.7537  1270.67  125.545  1217.52  182.801 53.15222 221.7602 
1 1 1  -26   13   23 o  1986.77   95.621   62.678   5.9487   68.643   7.4067   51.837   9.9847  2069.83  114.729  1766.12  183.215 303.7126 216.1728 
1 1 1  -26   13   25 o  978.828  111.317   15.493   3.3511   19.438   4.2464   8.9797   5.4564  1093.14  126.389  722.898  220.770 370.2379 254.3889 
1 1 1  -26   13   27 o  1467.47   84.374   34.252   3.8607   33.063   5.6451   35.298   5.2916  1427.37  127.652  1479.93  115.096 -52.55969 171.8781 
1 1 1  -26   13   29 o  1460.61   95.486   34.123   4.3431   40.612   7.6113   30.990   5.2885  1567.04  157.238  1381.77  123.534 185.2748 199.9608 
1 1 1  -26   13   31 o  2832.48   92.481  127.854   8.2023  134.045   11.673  121.817   11.528  2875.98  129.624  2738.13  134.456 137.8455 186.7636 
1 1 1  -26   13   33 o  2260.77   86.344   81.429   6.1123   80.657   8.6755   82.190   8.6130  2225.93  124.976  2248.52  122.796 -22.58936 175.2080 
1 1 1  -26   13   35 o  1169.41  114.279   22.377   4.1311   32.793   7.2765   17.424   5.0182  1383.47  171.660  1007.21  164.818 376.2607 237.9744 
1 1 1  -26   13   37 o  1350.87  109.529   29.944   4.5931   33.604   8.0041   28.147   5.6084  1371.05  191.683  1290.35  141.107 80.69202 238.0201 
1 1 1  -26   13   39 o  629.694  192.581   7.4769   4.1502   7.3668   6.0799   7.5730   5.6790  625.688  232.550  630.051  226.219 -4.363159 324.4290 
1 1 1  -26   13   41 o  1292.94  145.052   29.696   5.7712   27.400   8.0635   32.107   8.2635  1141.89  233.399  1259.75  217.343 -117.8602 318.9247 
1 1 1  -26   13   43 o  352.127  152.420   0.6978   3.0923   0.6844   3.7861   0.7247   5.3596  377.754  165.981  425.555  191.535 -47.80026 253.4467 
1 1 1  -26   13   45 f  1825.46  109.025   58.177   6.2033   56.880   7.4846   61.023   11.087  1753.01  137.456  1631.22  222.890 121.7921 261.8666 
1 1 1  -26   13   47 o  1410.74  115.972   36.179   5.0776   36.133   5.9464   36.300   9.7561  1366.29  141.022  1070.04  285.781 296.2467 318.6815 
1 1 1  -26   13   49 o  1677.96  114.427   52.449   5.9763   45.779   7.0435   69.592   11.292  1475.06  154.805  1590.37  233.732 -115.3044 280.3489 
1 1 1  -26   13   51 o  467.875  180.020   6.1133   3.7165   6.4745   4.2274   4.8840   7.7984  466.207  187.996  416.285  200.652 49.92215 274.9612 
1 1 1  -26   13   53 o  716.525  185.358   14.512   4.1902   15.036   4.7830   12.783   8.6896  670.042  207.046  438.202  211.361 231.8402 295.8744 
1 1 1  -26   14    2 o  408.815  161.805   1.5394   3.0731   0.0000   0.0000   1.5394   3.0731  ?   ?   408.815  161.805 0.000000 161.8050 
1 1 1  -26   14    4 o  1023.97  108.906   16.801   3.4382   20.266   6.1079   15.194   4.1600  1105.26  182.880  965.325  141.856 139.9340 231.4486 
1 1 1  -26   14    6 f  1075.24  106.418   18.490   3.5359   25.418   6.1437   15.059   4.3238  1247.68  161.012  959.071  148.799 288.6127 219.2399 
1 1 1  -26   14    8 o  1753.36   95.365   48.740   5.2160   41.727   8.9649   52.330   6.4133  1594.94  182.809  1812.32  113.588 -217.3723 215.2243 
1 1 1  -26   14   10 o  969.352   95.817   14.999   2.8702   10.744   4.1209   19.008   4.0001  801.780  169.445  1087.17  119.475 -285.3931 207.3304 
1 1 1  -26   14   12 o  569.638  133.808   5.3845   2.3461   5.4484   3.2737   5.3171   3.3639  575.466  169.940  570.558  173.144 4.908508 242.6077 
1 1 1  -26   14   14 f  406.317  144.446   2.3073   2.3100   4.2803   3.3341   0.4859   3.2034  524.657  173.998  380.604  159.571 144.0533 236.0899 
1 1 1  -26   14   16 o  1033.68   91.071   17.023   2.9176   17.060   4.2697   16.990   3.9960  1024.00  136.567  1024.36  127.329 -0.3609619 186.7170 
1 1 1  -26   14   18 o  895.706  116.770   12.981   3.1971   12.625   4.0005   13.609   5.3189  873.831  151.710  895.156  195.256 -21.32574 247.2669 
1 1 1  -26   14   20 o  1519.14   97.977   36.740   4.6357   38.227   5.8009   34.111   7.7115  1543.10  121.027  1437.77  174.893 105.3339 212.6850 
1 1 1  -26   14   22 o  1363.25   97.765   29.634   4.1455   33.634   5.1855   22.552   6.9007  1447.80  115.341  1154.95  197.937 292.8512 229.0911 
1 1 1  -26   14   24 o  902.477  101.889   13.107   2.8289   8.3647   4.0467   17.638   3.9560  700.696  182.595  1042.73  123.567 -342.0323 220.4759 
1 1 1  -26   14   26 o  2035.19   84.035   65.583   5.3552   68.466   7.6149   62.762   7.5327  2064.99  118.261  1975.06  122.404 89.93176 170.2014 
1 1 1  -26   14   28 o  1918.05   97.538   58.685   5.8387   65.723   10.248   55.302   7.1044  1996.48  165.427  1851.60  123.240 144.8778 206.2864 
1 1 1  -26   14   30 o  701.448  130.229   8.1821   2.7550   14.107   4.2003   3.7087   3.6499  918.979  151.230  503.727  181.303 415.2519 236.0960 
1 1 1  -26   14   32 o  495.358  166.148   3.9093   3.0384   3.5956   6.1327   4.0113   3.4979  566.153  227.087  509.505  178.046 56.64774 288.5637 
1 1 1  -26   14   34 o  1948.97  128.720   62.264   7.8111   53.952   11.306   69.856   10.805  1750.05  210.537  2030.43  171.550 -280.3816 271.5793 
1 1 1  -26   14   36 o  1591.39  130.269   42.098   6.4345   42.822   9.2877   41.430   8.9227  1551.28  195.551  1530.33  190.318 20.94775 272.8759 
1 1 1  -26   14   38 o  701.349  165.015   8.8781   3.5634   9.5372   4.2614   7.3457   6.4974  715.237  187.857  633.611  239.395 81.62549 304.3028 
1 1 1  -26   14   40 o  616.291  171.422   7.1440   3.4284   9.4748   4.1770   2.3317   6.0019  700.562  186.941  492.449  212.753 208.1132 283.2151 
1 1 1  -26   14   42 o  2456.22  139.288  107.202   10.669  103.544   14.980  110.967   15.198  2235.97  216.679  2330.34  210.549 -94.36816 302.1270 
1 1 1  -26   14   44 o  519.322  173.957   5.4399   3.3307   8.0262   3.9837  -0.5667   6.0711  614.345  188.813  416.506  193.483 197.8393 270.3438 
1 1 1  -26   14   46 o  2288.97  110.537   92.347   7.9225   88.908   9.6653   99.388   13.831  2162.70  143.542  2071.89  216.379 90.80493 259.6619 
1 1 1  -26   14   48 o  1469.27  115.422   39.561   5.2674   38.265   6.2463   42.752   9.8008  1387.04  146.012  1202.21  267.275 184.8268 304.5579 
1 1 1  -26   14   50 o  856.835  163.857   16.285   4.2360   13.720   4.9943   22.860   7.9967  695.436  210.955  743.770  268.279 -48.33398 341.2855 
1 1 1  -26   14   52 o  2065.06  117.344   84.409   7.5564   70.174   9.1777  114.368   13.314  1675.85  177.604  1949.29  222.096 -273.4409 284.3759 
1 1 1  -26   15    1 o  389.539  152.586   1.4869   2.7071   7.8448   4.4090  -2.3603   3.4297  685.783  195.691  324.138  148.713 361.6452 245.7859 
1 1 1  -26   15    3 o  1116.09  136.902   20.143   4.6841   0.0000   0.0000   20.143   4.6841  ?   ?   1116.09  136.902 0.000000 136.9020 
1 1 1  -26   15    5 o  483.796  149.681   3.7430   2.4989  -1.5424   3.8725   7.5142   3.2710  366.583  164.066  671.450  158.182 -304.8673 227.9013 
1 1 1  -26   15    7 o  541.776  157.045   4.8117   2.8189   1.5695   4.4822   6.9332   3.6258  472.153  192.418  644.863  175.067 -172.7105 260.1405 
1 1 1  -26   15    9 o  728.387  134.104   8.7122   2.9459   10.028   4.5507   7.7634   3.8650  771.474  189.705  680.840  178.947 90.63422 260.7876 
1 1 1  -26   15   11 o  430.082  154.176   2.5463   2.6369   5.7867   4.5710   0.9301   3.2282  609.005  203.788  396.189  162.587 212.8164 260.6996 
1 1 1  -26   15   13 o  510.924  172.454   3.9731   3.2737   0.9399   4.5620   7.1931   4.7004  458.337  191.156  662.068  205.361 -203.7307 280.5597 
1 1 1  -26   15   15 f  299.082  138.831  -2.6253   3.1167  -3.8174   4.0322  -0.8561   4.9121  331.964  155.353  432.310  189.527 -100.3457 245.0613 
1 1 1  -26   15   17 o  1359.74  122.742   29.677   5.1696   31.005   7.1089   28.187   7.5313  1375.60  168.570  1302.89  190.210 72.70483 254.1567 
1 1 1  -26   15   19 o  360.993  155.986  -0.2409   3.2274   2.2141   4.6457  -2.5309   4.4869  494.443  197.888  378.161  172.202 116.2825 262.3226 
1 1 1  -26   15   21 o  537.133  175.016   4.5732   3.3787   3.9995   5.1646   5.0024   4.4673  562.080  213.176  576.320  201.220 -14.23932 293.1439 
1 1 1  -26   15   23 o  1779.96   99.327   50.413   5.5139   54.378   9.6156   48.470   6.7304  1821.21  170.604  1737.24  124.554 83.96814 211.2330 
1 1 1  -26   15   25 o  1820.01   85.499   52.404   4.8725   53.832   7.0249   51.080   6.7640  1830.55  123.275  1783.48  121.850 47.07605 173.3330 
1 1 1  -26   15   27 o  1029.75  135.521   17.342   4.2636   19.452   6.0483   15.258   6.0111  1072.69  186.862  939.143  209.713 133.5485 280.8859 
1 1 1  -26   15   29 o  2708.42  129.403  118.205   10.974  128.289   15.715  108.606   15.332  2778.72  181.613  2545.70  193.799 233.0166 265.5962 
1 1 1  -26   15   31 o  1976.48  121.612   63.209   7.4899   71.427   10.935   55.947   10.279  2070.24  170.201  1822.52  182.583 247.7212 249.6100 
1 1 1  -26   15   33 o  465.140  186.803   2.2011   4.1555   5.3806   6.3578  -0.1702   5.4905  611.450  235.401  458.599  200.731 152.8506 309.3646 
1 1 1  -26   15   35 o  887.535  142.784   13.380   3.8335   14.030   4.5663   11.826   7.0558  896.125  168.930  784.333  252.698 111.7916 303.9636 
1 1 1  -26   15   37 o  1320.83  110.912   28.819   4.5447   28.207   5.5737   30.033   7.8503  1286.78  140.620  1275.77  203.340 11.00781 247.2271 
1 1 1  -26   15   39 o  730.929  162.812   9.7479   3.6308   6.7337   4.4194   16.006   6.3683  595.820  200.378  886.554  228.090 -290.7343 303.6052 
1 1 1  -26   15   41 o  995.955  134.066   17.438   4.0747   13.156   4.9457   26.488   7.1897  812.737  196.503  1152.21  206.883 -339.4727 285.3316 
1 1 1  -26   15   43 o  634.238  209.944   8.7779   4.8547   13.345   6.5630   3.2589   7.2144  741.704  244.034  506.114  225.408 235.5894 332.2070 
1 1 1  -26   15   45 o  1201.43  131.393   26.295   4.8624   27.084   5.8308   24.494   8.8102  1178.56  162.307  919.278  280.484 259.2823 324.0595 
1 1 1  -26   15   47 o  1406.73  116.180   35.702   5.0717   33.230   5.9691   42.121   9.6179  1304.39  148.809  1264.04  251.841 40.34546 292.5206 
1 1 1  -26   15   49 o  1335.18  126.922   34.046   5.2425   30.171   6.2329   43.415   9.6926  1168.51  175.794  1196.64  265.610 -28.13257 318.5153 
1 1 1  -26   15   51 o  1051.32  195.715   28.075   6.2058   35.294   8.2377   18.603   9.4364  1031.06  256.269  563.221  253.760 467.8420 360.6492 
1 1 1  -26   16    2 o  618.154  143.822   6.3334   2.7314   5.0524   3.6889   7.8882   4.0639  565.930  182.757  687.333  184.818 -121.4029 259.9195 
1 1 1  -26   16    4 f  389.104  154.736   1.3101   2.8227  -3.9538   4.8470   4.0116   3.4723  373.828  173.388  518.628  177.598 -144.8003 248.2023 
1 1 1  -26   16    6 o  915.879  109.724   13.462   3.0841   12.294   4.2910   14.711   4.4356  861.854  165.015  947.404  154.872 -85.55023 226.3079 
1 1 1  -26   16    8 o  469.832  147.544   3.4965   2.4178   5.6497   3.2341   0.7679   3.6406  585.758  167.755  412.425  171.280 173.3323 239.7473 
1 1 1  -26   16   10 o  937.515  106.123   14.080   3.0605   13.057   4.2906   15.140   4.3667  889.826  159.869  962.476  149.761 -72.64984 219.0582 
1 1 1  -26   16   12 o  420.295  167.753   1.5138   3.3288   7.8803   4.5298  -5.9610   4.9083  688.028  198.972  347.325  165.193 340.7030 258.6086 
1 1 1  -26   16   14 o  1116.13  137.729   20.158   4.7114   25.959   6.1814   12.117   7.2778  1262.21  159.992  845.253  254.267 416.9552 300.4154 
1 1 1  -26   16   16 o  955.995  149.835   14.969   4.3378   13.564   6.0445   16.461   6.2289  891.917  218.219  986.403  208.209 -94.48511 301.6136 
1 1 1  -26   16   18 o  443.497  157.465   2.7690   2.7443   2.5085   4.2069   2.9620   3.6208  487.811  190.452  481.682  179.375 6.129608 261.6248 
1 1 1  -26   16   20 o  875.069  203.601   13.020   5.4738   13.020   5.4738   0.0000   0.0000  875.069  203.601  ?   ?  0.000000 203.6008 
1 1 1  -26   16   22 o  1602.73  121.402   41.153   6.0474   36.390   8.2662   46.639   8.8703  1485.63  181.468  1689.08  170.026 -203.4464 248.6757 
1 1 1  -26   16   24 o  2211.34  124.617   78.342   8.5936   78.888   11.996   77.766   12.317  2194.59  176.050  2175.28  182.514 19.31372 253.5844 
1 1 1  -26   16   26 f  2152.94  178.734   76.348   11.940   0.0000   0.0000   76.348   11.940  ?   ?   2152.94  178.734 0.000000 178.7342 
1 1 1  -26   16   28 o  2043.29  180.353   69.287   11.421   0.0000   0.0000   69.287   11.421  ?   ?   2043.29  180.353 0.000000 180.3530 
1 1 1  -26   16   30 o  2001.42  180.507   67.082   11.191   0.0000   0.0000   67.082   11.191  ?   ?   2001.42  180.507 0.000000 180.5072 
1 1 1  -26   16   32 o  1932.26  126.883   60.920   7.6343   63.022   10.733   58.768   10.861  1927.04  179.960  1852.42  189.932 74.62231 261.6478 
1 1 1  -26   16   34 o  2251.36  127.701   83.425   8.9653   76.983   12.455   90.352   12.915  2100.07  191.506  2287.44  181.821 -187.3621 264.0704 
1 1 1  -26   16   36 o  746.421  191.206   10.248   4.4888   6.5006   5.8102   15.797   7.0699  613.482  227.468  892.053  245.415 -278.5711 334.6192 
1 1 1  -26   16   38 o  527.384  195.085   4.6807   4.2687   1.2031   5.8812   8.5525   6.2056  477.319  208.367  660.681  236.551 -183.3629 315.2352 
1 1 1  -26   16   40 o  620.621  205.582   7.6126   4.6548   5.8159   6.1093   10.099   7.1870  571.227  227.489  681.981  252.963 -110.7542 340.2082 
1 1 1  -26   16   42 o  684.891  200.620   9.6881   4.5789   11.524   5.7318   6.4504   7.6122  721.941  227.244  579.077  244.546 142.8644 333.8300 
1 1 1  -26   16   44 o  1133.14  251.121   30.509   8.6759   0.0000   0.0000   30.509   8.6759  ?   ?   1133.14  251.121 0.000000 251.1206 
1 1 1  -26   16   46 o  431.117  181.335   2.9402   4.1586  -1.9335   5.2751   10.943   6.7595  368.069  173.928  628.037  242.461 -259.9673 298.3929 
1 1 1  -26   16   48 o  2297.09  143.737  102.697   10.287   84.878   14.243  122.127   14.873  1711.03  275.165  2262.05  212.467 -551.0249 347.6467 
1 1 1  -26   16   50 o  993.939  201.069   24.441   6.0429   24.991   8.0287   23.724   9.1779  823.233  269.866  710.542  280.134 112.6918 388.9763 
1 1 1  -26   17    1 o  678.517  137.226   7.5769   2.8153   7.2416   3.8954   7.9435   4.0735  660.550  182.351  690.401  184.780 -29.85028 259.6063 
1 1 1  -26   17    3 o  321.785  137.337  -0.0157   2.4445   1.5609   3.3657  -1.7760   3.5564  424.416  168.905  344.473  155.439 79.94293 229.5434 
1 1 1  -26   17    5 o  797.205  176.398   10.591   4.2868  -1.4230   6.6930   18.947   5.5820  499.697  220.093  1074.48  171.690 -574.7784 279.1386 
1 1 1  -26   17    7 o  1541.52   91.265   37.595   4.3856   31.236   6.0648   44.566   6.3495  1394.04  140.871  1672.32  122.100 -278.2827 186.4217 
1 1 1  -26   17    9 o  1090.76  120.421   19.080   4.0443   22.496   4.6653   8.7501   8.1134  1183.76  127.895  763.687  270.793 420.0737 299.4764 
1 1 1  -26   17   11 o  863.046  143.472   12.172   3.7411   10.164   4.3286   18.100   7.4371  779.600  180.826  1031.30  235.479 -251.7017 296.8981 
1 1 1  -26   17   13 f  307.858  143.391  -3.0292   3.3701  -3.0292   3.3701   0.0000   0.0000  307.858  143.391  ?   ?  0.000000 143.3913 
1 1 1  -26   17   15 o  362.404  152.394   0.3364   2.9359  -0.7661   3.3242   4.2460   6.2600  354.035  155.544  604.877  233.383 -250.8426 280.4671 
1 1 1  -26   17   17 o  291.792  133.049  -1.6796   2.6897  -0.3772   2.9995  -7.0260   6.0772  345.030  149.731  389.427  184.804 -44.39670 237.8485 
1 1 1  -26   17   19 o  2315.54  126.194   85.571   9.1152   85.571   9.1152   0.0000   0.0000  2315.54  126.194  ?   ?  0.000000 126.1944 
1 1 1  -26   17   21 o  1746.20   99.952   48.422   5.4425   52.477   6.5881   39.708   9.6580  1813.54  116.635  1545.46  204.610 268.0820 235.5182 
1 1 1  -26   17   23 o  2124.80  186.263   74.155   12.267   0.0000   0.0000   74.155   12.267  ?   ?   2124.80  186.263 0.000000 186.2627 
1 1 1  -26   17   25 o  3362.30  210.944  188.339   22.096   0.0000   0.0000  188.339   22.096  ?   ?   3362.30  210.944 0.000000 210.9441 
1 1 1  -26   17   27 o  561.067  221.671   3.4757   5.7582   0.0000   0.0000   3.4757   5.7582  ?   ?   561.067  221.671 0.000000 221.6709 
1 1 1  -26   17   29 o  482.772  183.791   2.9512   3.8481   8.0678   5.5228  -1.8762   5.3645  688.418  223.735  426.388  191.793 262.0302 294.6893 
1 1 1  -26   17   31 o  1460.77  135.275   35.075   6.1173   31.387   8.5387   38.965   8.7682  1337.60  210.850  1507.15  190.020 -169.5459 283.8401 
1 1 1  -26   17   33 o  454.000  182.181   2.1698   3.9489  -7.7616   4.9452   19.647   6.5601  318.907  155.160  1044.90  207.817 -725.9949 259.3506 
1 1 1  -26   17   35 o  1043.77  163.424   18.937   5.1659   17.009   7.1552   21.037   7.4661  934.765  242.416  1050.71  233.033 -115.9507 336.2586 
1 1 1  -26   17   37 o  836.362  195.489   13.066   5.0277   5.2523   6.5582   24.204   7.8300  584.517  234.700  1113.76  232.050 -529.2462 330.0473 
1 1 1  -26   17   39 f  1802.87  131.381   55.440   7.3657   42.734   10.110   69.816   10.753  1470.89  226.794  1960.88  177.045 -489.9877 287.7159 
1 1 1  -26   17   41 o  962.648  186.401   17.771   5.4156   13.740   7.1212   23.301   8.3401  774.286  254.174  1015.06  260.955 -240.7740 364.2833 
1 1 1  -26   17   43 o  391.610  173.444   0.4956   4.2133  -2.9242   5.1059   7.7937   7.4589  364.215  171.805  597.884  246.457 -233.6688 300.4294 
1 1 1  -26   17   45 o  517.942  205.216   5.4839   4.9481   3.3036   6.3463   8.8641   7.9021  483.212  213.497  592.882  249.701 -109.6695 328.5296 
1 1 1  -26   17   47 o  410.891  180.593   2.0062   4.4848   1.3436   5.4010   3.4779   8.0487  416.653  189.421  482.432  223.644 -65.77921 293.0819 
1 1 1  -26   18    2 o  787.773  178.536   10.346   4.3022   10.346   4.3022   0.0000   0.0000  787.773  178.536  ?   ?  0.000000 178.5359 
1 1 1  -26   18    4 o  839.965  155.939   11.602   3.9504   14.866   4.3974  -2.0485   8.9928  954.453  152.254  573.908  253.828 380.5449 295.9899 
1 1 1  -26   18    6 o  749.398  161.931   9.3074   3.6888   7.5598   4.0593   17.592   8.8385  675.029  186.064  1012.74  272.662 -337.7144 330.0977 
1 1 1  -26   18    8 o  374.154  156.455   0.4596   3.0674   5.4296   3.2809 -34.0522   8.6456  577.174  170.035  ?   ?  0.000000 170.0354 
1 1 1  -26   18   10 o  935.743  141.465   14.229   4.0156   15.790   4.4494   7.3774   9.3241  984.920  148.921  755.292  286.439 229.6277 322.8385 
1 1 1  -26   18   12 o  1195.49  122.843   22.888   4.5331   23.540   5.1359   20.591   9.6433  1209.06  138.139  1090.98  280.673 118.0792 312.8256 
1 1 1  -26   18   14 o  1378.48  114.817   30.293   4.9109   31.415   5.6419   26.786   9.9751  1400.44  130.149  1250.14  263.151 150.3027 293.5767 
1 1 1  -26   18   16 o  323.218  144.794  -1.2851   3.0237  -1.0523   3.3316  -2.3727   7.2017  347.513  154.057  502.717  224.455 -155.2043 272.2383 
1 1 1  -26   18   18 o  695.505  185.802   8.1018   4.1232   8.1018   4.1232   0.0000   0.0000  695.505  185.802  ?   ?  0.000000 185.8021 
1 1 1  -26   18   20 o  913.858  178.467   13.942   4.9237   26.568   6.9370   1.1239   6.9895  1269.89  179.458  555.182  234.386 714.7036 295.1977 
1 1 1  -26   18   22 o  1229.49  153.390   24.664   5.7768   32.310   7.9389   16.059   8.4217  1397.63  186.027  957.239  269.527 440.3873 327.4919 
1 1 1  -26   18   24 o  1175.31  159.550   22.727   5.7199   20.386   7.9104   25.292   8.2807  1081.67  239.842  1213.93  226.172 -132.2551 329.6637 
1 1 1  -26   18   26 o  1030.75  129.977   17.321   4.1018   16.868   4.8230   18.506   7.7974  1007.69  158.052  1020.99  246.661 -13.30023 292.9538 
1 1 1  -26   18   28 o  1473.55  108.851   34.924   4.9869   36.810   5.9384   30.413   9.1849  1505.87  127.128  1315.38  231.452 190.4901 264.0678 
1 1 1  -26   18   30 o  1245.99  117.502   25.257   4.5302   21.484   5.4989   33.228   7.9923  1130.35  159.817  1393.22  188.006 -262.8663 246.7546 
1 1 1  -26   18   32 o  911.539  148.992   14.070   4.1057   14.850   4.8130   11.985   7.8676  925.975  172.338  798.285  267.359 127.6900 318.0899 
1 1 1  -26   18   34 o  426.682  176.493   1.4569   3.8434   3.1019   4.8587  -1.2936   6.2825  506.273  202.461  460.058  207.189 46.21426 289.6855 
1 1 1  -26   18   36 o  467.878  178.387   3.1231   3.6285   3.8144   4.1669   0.9543   7.3803  504.425  191.441  523.497  230.818 -19.07159 299.8781 
1 1 1  -26   18   38 o  431.194  175.544   2.0439   3.7257  -0.4125   4.4415   7.8758   6.8436  397.310  176.913  646.575  245.352 -249.2653 302.4828 
1 1 1  -26   18   40 o  490.877  179.706   4.0885   3.6073   3.4673   4.1882   5.8734   7.0995  480.885  189.350  587.406  241.092 -106.5211 306.5601 
1 1 1  -26   18   42 o  1023.77  147.988   18.847   4.6063   16.920   5.3478   24.388   9.0674  931.885  189.720  1004.60  278.547 -72.71912 337.0190 
1 1 1  -26   18   44 o  367.909  168.781  -0.9775   4.4165  -1.6798   5.2875   0.6436   8.0326  386.165  179.779  483.310  223.829 -97.14566 287.0883 
1 1 1  -26   18   46 o  277.923  137.031  -6.7718   4.2691  -4.4395   5.0505 -12.6079   7.9894  333.237  160.831  352.687  176.144 -19.45032 238.5235 
1 1 1  -26   19    1 o  1277.74  136.918   26.250   5.3927   26.250   5.3927   0.0000   0.0000  1277.74  136.918  ?   ?  0.000000 136.9176 
1 1 1  -26   19    3 o  541.967  182.739   4.4463   3.6757   4.4463   3.6757   0.0000   0.0000  541.967  182.739  ?   ?  0.000000 182.7390 
1 1 1  -26   19    5 o  706.025  184.516   8.3090   4.1245   8.3090   4.1245   0.0000   0.0000  706.025  184.516  ?   ?  0.000000 184.5157 
1 1 1  -26   19    7 o  339.672  150.780  -1.0770   3.2016  -1.0770   3.2016   0.0000   0.0000  339.672  150.780  ?   ?  0.000000 150.7800 
1 1 1  -26   19    9 o  638.632  193.160   6.6430   4.1917   6.6430   4.1917   0.0000   0.0000  638.632  193.160  ?   ?  0.000000 193.1597 
1 1 1  -26   19   11 o  517.889  190.505   3.5117   4.0608   3.5117   4.0608   0.0000   0.0000  517.889  190.505  ?   ?  0.000000 190.5055 
1 1 1  -26   19   13 o  1320.31  138.564   28.031   5.6431   28.031   5.6431   0.0000   0.0000  1320.31  138.564  ?   ?  0.000000 138.5645 
1 1 1  -26   19   15 o  382.660  162.264   0.2001   3.3736   3.2995   3.6659 -16.9400   8.6210  496.900  181.274  401.340  197.265 95.55933 267.9067 
1 1 1  -26   19   17 o  1278.82  222.711   27.500   8.5939   27.500   8.5939   0.0000   0.0000  1278.82  222.711  ?   ?  0.000000 222.7110 
1 1 1  -26   19   19 o  526.268  206.348   2.9027   4.9545   1.5691   6.5719   4.6586   7.5411  549.892  229.394  647.172  254.317 -97.27997 342.4891 
1 1 1  -26   19   21 o  1411.56  151.209   32.383   6.5793   33.147   9.0693   31.535   9.5592  1404.13  212.958  1360.12  232.825 44.00378 315.5296 
1 1 1  -26   19   23 o  1172.62  124.569   22.215   4.5038   21.111   5.2607   25.247   8.7155  1134.32  151.929  1206.18  239.208 -71.86279 283.3777 
1 1 1  -26   19   25 o  1228.55  120.307   24.384   4.5687   25.553   5.3628   21.289   8.7244  1251.56  139.201  1090.44  259.304 161.1182 294.3054 
1 1 1  -26   19   27 o  1391.52  117.915   31.295   5.0895   35.623   6.0875   21.246   9.2764  1479.19  132.847  1073.04  274.867 406.1508 305.2869 
1 1 1  -26   19   29 o  1156.24  129.939   21.929   4.6229   22.490   5.4726   20.533   8.6382  1160.57  154.425  1050.86  263.112 109.7151 305.0819 
1 1 1  -26   19   31 o  453.934  176.250   2.4947   3.5876   4.7803   4.3044  -2.7052   6.4925  551.944  197.076  452.324  206.426 99.61972 285.3961 
1 1 1  -26   19   33 o  1176.29  131.182   22.982   4.7494   25.188   5.6271   17.516   8.8560  1221.55  150.284  936.862  280.182 284.6909 317.9425 
1 1 1  -26   19   35 o  564.380  183.592   5.5483   3.7185   6.5538   4.2236   2.0822   7.8416  606.728  195.514  559.678  242.488 47.04993 311.4900 
1 1 1  -26   19   37 o  1312.24  126.541   28.879   5.1350   32.140   6.2400   22.038   9.0383  1368.77  147.945  1021.17  276.061 347.5923 313.2047 
1 1 1  -26   19   39 o  483.548  188.743   3.4288   4.1310   2.9293   4.8068   4.8398   8.0791  485.856  198.776  590.780  250.844 -104.9242 320.0542 
1 1 1  -26   19   41 o  567.223  194.129   6.0866   4.1488   5.6874   4.7715   7.3237   8.3994  556.271  206.160  624.134  259.763 -67.86292 331.6299 
1 1 1  -26   19   43 o  619.864  192.823   7.7362   4.1406   8.2562   4.6784   5.8565   8.8946  631.498  205.955  581.841  255.060 49.65674 327.8309 
1 1 1  -26   19   45 o  533.904  216.605   5.7013   5.6488   6.0479   7.2492   5.1656   9.0131  550.266  235.718  548.244  247.415 2.022278 341.7269 
1 1 1  -26   20    2 o  673.868  185.513   7.5645   4.0382   9.5442   4.3214  -6.0737   11.342  754.551  184.452  594.679  271.954 159.8720 328.6052 
1 1 1  -26   20    4 f  1039.76  143.401   17.537   4.5445   11.808   5.0263   43.200   10.638  838.499  195.105  1615.90  215.624 -777.3967 290.7914 
1 1 1  -26   20    6 o  1194.45  135.324   22.965   4.9720   25.043   5.5739   14.874   10.999  1245.36  145.692  947.371  316.128 297.9917 348.0844 
1 1 1  -26   20    8 o  664.399  199.524   7.2417   4.4842   7.2417   4.4842   0.0000   0.0000  664.399  199.524  ?   ?  0.000000 199.5239 
1 1 1  -26   20   10 o  1093.49  149.461   19.418   4.9836   19.418   4.9836   0.0000   0.0000  1093.49  149.461  ?   ?  0.000000 149.4611 
1 1 1  -26   20   12 o  311.219  145.008  -3.1154   3.4513  -3.1154   3.4513   0.0000   0.0000  311.219  145.008  ?   ?  0.000000 145.0077 
1 1 1  -26   20   14 o  1040.54  260.004   18.712   8.4474   18.712   8.4474   0.0000   0.0000  1040.54  260.004  ?   ?  0.000000 260.0042 
1 1 1  -26   20   16 o  635.693  247.284   4.6540   7.0723   4.6540   7.0723   0.0000   0.0000  635.693  247.284  ?   ?  0.000000 247.2839 
1 1 1  -26   20   18 o  701.707  251.969   7.3344   7.0457   7.3344   7.0457   0.0000   0.0000  701.707  251.969  ?   ?  0.000000 251.9695 
1 1 1  -26   20   20 o  935.858  182.779   14.715   5.1640   14.715   5.1640   0.0000   0.0000  935.858  182.779  ?   ?  0.000000 182.7789 
1 1 1  -26   20   22 o  1705.71  130.954   46.887   6.9409   46.887   6.9409   0.0000   0.0000  1705.71  130.954  ?   ?  0.000000 130.9535 
1 1 1  -26   20   24 o  391.034  175.537  -1.6918   4.4685  -0.5994   5.4598  -3.9081   7.7769  457.391  200.186  492.844  225.309 -35.45325 301.3943 
1 1 1  -26   20   26 o  435.338  178.900   1.3205   3.9152   3.3504   4.3955  -6.4747   8.6136  514.088  196.258  487.238  227.710 26.84998 300.6150 
1 1 1  -26   20   28 o  497.076  187.947   3.2627   4.0067   4.4770   4.6596  -0.1826   7.8485  554.525  204.055  544.289  239.071 10.23608 314.3139 
1 1 1  -26   20   30 o  663.259  188.434   7.6764   4.0973   5.9973   4.7424   12.619   8.1368  603.620  207.516  825.840  271.723 -222.2200 341.9012 
1 1 1  -26   20   32 o  677.729  192.325   8.1422   4.2708   5.9020   4.9612   14.552   8.3923  599.213  211.831  867.960  275.170 -268.7480 347.2621 
1 1 1  -26   20   34 f  1001.30  149.571   17.054   4.5458   16.381   5.2424   19.091   9.1259  964.487  180.215  970.921  282.889 -6.434570 335.4154 
1 1 1  -26   20   36 o  338.880  156.395  -2.3240   3.8716  -1.2423   4.4164  -5.9155   8.0470  385.290  173.597  453.455  214.442 -68.16470 275.9006 
1 1 1  -26   20   38 o  1950.26  111.678   62.758   6.7915   62.557   8.0101   63.274   12.809  1926.13  133.638  1817.59  230.231 108.5360 266.2059 
1 1 1  -26   20   40 o  1030.99  157.464   18.879   4.9221   15.634   5.7252   28.076   9.6371  897.684  207.788  1134.68  274.278 -236.9941 344.0988 
1 1 1  -26   20   42 o  1344.17  134.155   31.384   5.5710   33.050   6.5125   26.840   10.757  1356.80  156.137  1020.08  309.638 336.7206 346.7768 
1 1 1  -26   21    1 o  615.541  200.641   6.0141   4.4403   6.0141   4.4403   0.0000   0.0000  615.541  200.641  ?   ?  0.000000 200.6411 
1 1 1  -26   21    3 o  1080.26  151.743   19.015   4.9913   21.601   5.4181   4.5170   12.830  1151.96  154.068  773.646  321.434 378.3137 356.4502 
1 1 1  -26   21    5 o  650.380  196.831   6.9398   4.3516   6.9398   4.3516   0.0000   0.0000  650.380  196.831  ?   ?  0.000000 196.8313 
1 1 1  -26   21    7 o  603.515  232.754   4.2352   6.2241   4.8155   7.4216   2.8595   11.427  650.377  253.228  716.340  300.908 -65.96240 393.2816 
1 1 1  -26   21    9 o  340.691  153.365  -1.6101   3.4380  -1.6305   3.6208  -1.4233   10.961  350.806  157.703  640.400  281.873 -289.5938 322.9905 
1 1 1  -26   21   11 o  692.916  238.898   7.3932   6.2874   14.174   7.6173  -7.1017   11.137  908.955  256.472  575.668  265.528 333.2875 369.1651 
1 1 1  -26   21   13 o  556.001  221.239   2.9626   5.7737  -1.2494   7.2760   10.124   9.4877  522.600  229.850  813.885  292.377 -291.2848 371.9077 
1 1 1  -26   21   15 o  629.777  195.716   6.4726   4.2669   6.4726   4.2669   0.0000   0.0000  629.777  195.716  ?   ?  0.000000 195.7157 
1 1 1  -26   21   17 o  444.079  181.008   1.3895   3.9672   1.3895   3.9672   0.0000   0.0000  444.079  181.008  ?   ?  0.000000 181.0079 
1 1 1  -26   21   19 o  366.214  166.997  -2.4705   4.2385  -2.4705   4.2385   0.0000   0.0000  366.214  166.997  ?   ?  0.000000 166.9965 
1 1 1  -26   21   21 o  384.632  169.426  -0.8582   3.9669  -0.8582   3.9669   0.0000   0.0000  384.632  169.426  ?   ?  0.000000 169.4256 
1 1 1  -26   21   23 o  968.727  214.833   16.250   6.3458   16.250   6.3458   0.0000   0.0000  968.727  214.833  ?   ?  0.000000 214.8325 
1 1 1  -26   21   25 o  561.911  204.596   4.5777   4.6666   4.5777   4.6666   0.0000   0.0000  561.911  204.596  ?   ?  0.000000 204.5955 
1 1 1  -26   21   27 o  454.102  189.083   1.2157   4.4533   1.2157   4.4533   0.0000   0.0000  454.102  189.083  ?   ?  0.000000 189.0825 
1 1 1  -26   21   29 o  1313.24  155.180   28.708   6.2578   28.708   6.2578   0.0000   0.0000  1313.24  155.180  ?   ?  0.000000 155.1803 
1 1 1  -26   21   31 f  560.133  197.831   4.9730   4.3261   4.9730   4.3261   0.0000   0.0000  560.133  197.831  ?   ?  0.000000 197.8307 
1 1 1  -26   21   33 o  876.734  196.274   13.723   5.2540   13.723   5.2540   0.0000   0.0000  876.734  196.274  ?   ?  0.000000 196.2737 
1 1 1  -26   21   35 o  536.056  195.655   4.5217   4.2714   5.8207   4.8230  -0.2025   9.1978  588.604  208.776  562.037  252.104 26.56653 327.3279 
1 1 1  -26   21   37 o  842.595  185.521   12.864   4.7623   12.752   5.3800   13.268   10.236  825.307  208.201  798.904  300.786 26.40234 365.8139 
1 1 1  -26   21   39 o  703.862  199.704   9.3785   4.6052   11.041   5.1351   2.5481   10.409  757.909  209.421  601.365  269.076 156.5441 340.9680 
1 1 1  -26   21   41 o  573.452  204.753   6.0794   4.6463   6.0727   5.2953   6.1019   9.6857  577.744  216.572  624.638  270.065 -46.89343 346.1772 
1 1 1  -26   22    2 o  778.739  188.890   10.212   4.5587   10.334   4.8977   9.4252   12.470  782.142  199.383  846.954  328.668 -64.81140 384.4167 
1 1 1  -26   22    4 o  397.244  170.496  -0.0841   3.8057  -0.8614   4.0217   6.5739   11.770  389.632  171.137  784.041  314.558 -394.4088 358.0984 
1 1 1  -26   22    6 o  653.516  201.168   6.9872   4.5201   9.0676   4.8789  -5.6178   12.009  734.743  204.538  617.924  281.516 116.8181 347.9755 
1 1 1  -26   22    8 o  692.570  250.207   6.9551   6.9596   7.5127   8.7180   5.9753   11.556  741.167  277.876  769.300  310.609 -28.13239 416.7648 
1 1 1  -26   22   10 o  583.534  233.551   3.1740   6.4714  -1.2603   7.9442   11.921   11.157  546.510  240.273  876.816  316.796 -330.3063 397.6061 
1 1 1  -26   22   12 o  473.291  184.449   2.3551   3.9404  -0.5873   4.2427   20.825   10.630  406.795  177.295  1084.82  301.875 -678.0238 350.0888 
1 1 1  -26   22   14 o  487.773  185.076   2.8595   3.8939   1.7253   4.1460   11.345   11.340  461.983  186.217  863.795  318.257 -401.8121 368.7333 
1 1 1  -26   22   16 o  561.808  196.296   4.6924   4.2517   4.4598   4.6843   5.7802   10.130  564.679  205.077  729.882  292.175 -165.2038 356.9629 
1 1 1  -26   22   18 o  1169.49  144.243   22.260   5.1702   22.909   5.7439   19.488   11.868  1181.89  159.264  1041.10  326.871 140.7830 363.6065 
1 1 1  -26   22   20 o  712.365  198.340   8.6139   4.5873   10.414   5.0639   0.3789   10.832  780.126  204.726  652.504  283.849 127.6220 349.9757 
1 1 1  -26   22   22 o  642.783  217.873   6.5916   5.2253   2.7151   6.2078   16.014   9.6782  558.099  226.833  945.908  294.889 -387.8096 372.0392 
1 1 1  -26   22   24 o  426.819  185.211  -0.2618   4.5888  -0.2618   4.5888   0.0000   0.0000  426.819  185.211  ?   ?  0.000000 185.2110 
1 1 1  -26   22   26 o  1044.79  174.566   18.397   5.5094   18.397   5.5094   0.0000   0.0000  1044.79  174.566  ?   ?  0.000000 174.5656 
1 1 1  -26   22   28 o  672.310  212.901   7.7251   5.0249   7.7251   5.0249   0.0000   0.0000  672.310  212.901  ?   ?  0.000000 212.9014 
1 1 1  -26   22   30 o  1101.27  261.685   22.496   8.8906   22.496   8.8906   0.0000   0.0000  1101.27  261.685  ?   ?  0.000000 261.6853 
1 1 1  -26   22   32 o  799.628  213.899   11.520   5.4602   11.520   5.4602   0.0000   0.0000  799.628  213.899  ?   ?  0.000000 213.8987 
1 1 1  -26   22   34 f  973.976  189.240   16.740   5.5634   16.740   5.5634   0.0000   0.0000  973.976  189.240  ?   ?  0.000000 189.2399 
1 1 1  -26   22   36 o  731.631  220.717   9.9648   5.4782   9.9648   5.4782   0.0000   0.0000  731.631  220.717  ?   ?  0.000000 220.7167 
1 1 1  -26   22   38 o  916.325  208.853   15.719   5.8592   15.719   5.8592   0.0000   0.0000  916.325  208.853  ?   ?  0.000000 208.8532 
1 1 1  -26   23    1 o  507.150  195.321   2.9082   4.3784   1.4196   4.6601   14.117   12.788  475.457  195.258  941.186  339.293 -465.7292 391.4658 
1 1 1  -26   23    3 o  734.970  269.869   7.7119   8.1438   3.7358   10.270   14.447   13.366  700.766  289.070  954.927  346.475 -254.1611 451.2281 
1 1 1  -26   23    5 o  606.037  245.689   3.0790   7.2619   2.4043   8.6611   4.6760   13.325  633.885  263.796  786.369  327.223 -152.4837 420.3134 
1 1 1  -26   23    7 o  449.264  212.791  -8.7153   7.9822  -8.7153   7.9822   0.0000   0.0000  449.264  212.791  ?   ?  0.000000 212.7908 
1 1 1  -26   23    9 o  1227.28  230.380   25.506   8.5281   35.081   10.837   9.9336   13.821  1435.94  250.115  878.746  344.620 557.1902 425.8170 
1 1 1  -26   23   11 o  704.299  199.792   8.3023   4.6097   7.9611   4.9519   10.518   12.619  693.553  209.987  869.213  332.367 -175.6595 393.1439 
1 1 1  -26   23   13 o  669.401  209.301   7.3346   4.8715   7.3346   4.8715   0.0000   0.0000  669.401  209.301  ?   ?  0.000000 209.3005 
1 1 1  -26   23   15 o  405.422  175.168  -0.2649   4.0692  -0.2649   4.0692   0.0000   0.0000  405.422  175.168  ?   ?  0.000000 175.1677 
1 1 1  -26   23   17 o  1160.88  154.793   22.031   5.4865   20.633   6.0302   28.751   13.222  1115.15  178.732  1254.37  331.598 -139.2190 376.6994 
1 1 1  -26   23   19 o  837.435  194.029   11.915   4.9882   8.7830   5.4549   27.904   12.325  723.104  220.720  1237.67  316.718 -514.5698 386.0411 
1 1 1  -26   23   21 o  457.540  189.162   1.2399   4.4118   0.9136   4.8595   2.7700   10.523  467.864  196.366  680.733  287.502 -212.8686 348.1624 
1 1 1  -26   23   23 o  418.582  180.020   0.0029   4.2581  -1.4923   4.5987   8.9900   11.275  402.115  179.463  801.466  312.098 -399.3516 360.0169 
1 1 1  -26   23   25 f  503.445  196.420   2.8620   4.4723   3.6001   4.8604  -1.2133   11.421  537.743  206.116  638.795  284.112 -101.0525 351.0037 
1 1 1  -26   23   27 o  694.607  197.570   8.3023   4.5015   3.5241   5.0011   28.697   10.332  537.863  208.301  1257.51  270.435 -719.6435 341.3568 
1 1 1  -26   23   29 o  628.483  212.650   6.4863   4.9776   6.4863   4.9776   0.0000   0.0000  628.483  212.650  ?   ?  0.000000 212.6495 
1 1 1  -26   23   31 o  509.394  202.478   2.8680   4.8313   2.8680   4.8313   0.0000   0.0000  509.394  202.478  ?   ?  0.000000 202.4778 
1 1 1  -26   23   33 o  592.149  196.511   5.9017   4.2524   7.8382   4.6540  -3.8887   10.464  667.547  203.898  561.045  258.274 106.5021 329.0592 
1 1 1  -26   23   35 o  731.267  212.068   9.7317   5.1393   7.2497   5.7232   20.067   11.679  648.446  227.679  973.027  325.745 -324.5810 397.4260 
1 1 1  -26   24    2 o  728.545  281.555   6.5253   9.1223   10.869   11.571  -0.6102   14.829  862.836  320.784  750.008  329.043 112.8283 459.5347 
1 1 1  -26   24    4 o  622.124  259.063   2.2129   8.3605  -2.9858   9.8498   15.612   15.813  585.693  261.928  1004.80  374.723 -419.1093 457.1915 
1 1 1  -26   24    6 f  718.505  209.805   8.6013   5.0148   3.6167   5.3326   46.723   14.747  560.244  215.615  1640.32  298.096 -1080.072 367.9011 
1 1 1  -26   24    8 f  604.775  221.576   5.0016   5.4856   5.2180   5.8122   3.2366   16.598  619.292  227.898  834.734  357.104 -215.4426 423.6277 
1 1 1  -26   24   10 o  712.702  266.247   6.9046   7.9896   9.8146   9.4469  -0.4058   14.973  807.586  291.547  755.196  330.994 52.38977 441.0861 
1 1 1  -26   24   12 o  385.344  173.635  -2.0374   4.4195  -1.6669   4.6075  -6.3009   15.631  402.109  179.534  705.660  321.365 -303.5516 368.1144 
1 1 1  -26   24   14 o  523.431  203.533   2.9850   4.7897   2.9850   4.7897   0.0000   0.0000  523.431  203.533  ?   ?  0.000000 203.5334 
1 1 1  -26   24   16 o  574.028  214.524   4.2992   5.1879   4.2992   5.1879   0.0000   0.0000  574.028  214.524  ?   ?  0.000000 214.5244 
1 1 1  -26   24   18 o  1061.08  160.013   18.511   5.1512   17.866   5.5079   23.010   14.552  1037.11  175.891  1123.54  363.001 -86.43323 403.3703 
1 1 1  -26   24   20 o  642.293  223.858   6.3236   5.5279   7.7500   6.1806   0.6204   12.359  697.310  236.951  697.073  303.217 0.2371216 384.8203 
1 1 1  -26   24   22 o  1087.11  166.228   19.564   5.4786   22.910   6.0752   4.9908   12.678  1176.82  169.777  763.724  318.603 413.0975 361.0157 
1 1 1  -26   24   24 o  583.811  207.600   5.0783   4.7717   3.9454   5.1609   11.751   12.525  558.435  212.787  871.154  331.600 -312.7190 394.0013 
1 1 1  -26   24   26 o  708.333  206.484   8.5883   4.8609   8.2959   5.2867   10.187   12.364  699.645  217.921  834.093  326.262 -134.4481 392.3475 
1 1 1  -26   24   28 o  532.547  204.405   3.5598   4.7841   4.8459   5.2313  -3.0133   11.826  583.001  215.903  623.011  282.076 -40.01001 355.2193 
1 1 1  -26   24   30 o  382.632  175.046  -2.6314   4.7051  -4.5812   5.1408   7.4321   11.679  372.370  174.628  760.995  310.420 -388.6257 356.1681 
1 1 1  -26   24   32 o  391.653  174.577  -1.1497   4.3372  -0.7833   4.6551  -3.5611   11.941  413.879  182.858  607.824  278.358 -193.9449 333.0472 
1 1 1  -26   25    1 o  708.780  224.718   8.1676   5.5969   8.9241   5.9624   2.5581   16.236  737.815  231.694  821.264  352.310 -83.44965 421.6689 
1 1 1  -26   25    3 o  602.034  225.937   4.6259   5.7664   4.6259   5.7664   0.0000   0.0000  602.034  225.937  ?   ?  0.000000 225.9372 
1 1 1  -26   25    5 o  684.331  216.028   7.5922   5.1767   8.9894   5.4645  -4.6350   16.165  736.110  220.075  739.241  332.685 -3.130432 398.8891 
1 1 1  -26   25    7 o  381.553  169.532  -1.3309   4.0567  -0.7741   4.1779 -10.5176   16.970  400.223  175.141  702.953  325.473 -302.7300 369.6043 
1 1 1  -26   25    9 o  331.082  157.745  -5.6877   4.5165  -5.6283   4.7277  -6.3071   15.279  342.963  162.827  700.259  318.447 -357.2962 357.6599 
1 1 1  -26   25   11 f  599.740  260.703  -0.4635   9.1238  -2.8769   11.151   4.4251   15.870  627.157  279.708  836.748  353.215 -209.5917 450.5524 
1 1 1  -26   25   13 o  574.743  216.971   4.1287   5.3343   4.1287   5.3343   0.0000   0.0000  574.743  216.971  ?   ?  0.000000 216.9708 
1 1 1  -26   25   15 o  500.672  199.792   2.2633   4.7209   3.9454   4.9780 -12.7698   14.882  558.359  209.851  627.902  295.311 -69.54260 362.2792 
1 1 1  -26   25   17 o  483.007  195.923   1.7802   4.6208   2.0465   4.8914  -0.4286   14.086  500.705  202.112  731.009  320.703 -230.3045 379.0768 
1 1 1  -26   25   19 o  700.893  229.274   7.9654   5.7962   5.4013   6.4029   19.605   13.642  636.059  238.203  1053.04  352.059 -416.9808 425.0723 
1 1 1  -26   25   21 o  598.102  215.631   5.1523   5.1651   5.1523   5.1651   0.0000   0.0000  598.102  215.631  ?   ?  0.000000 215.6307 
1 1 1  -26   25   23 o  520.681  199.652   3.2401   4.5614   4.6226   4.8316  -8.0960   13.835  571.952  208.190  633.525  293.521 -61.57379 359.8582 
1 1 1  -26   25   25 o  575.456  202.501   4.9863   4.5288   8.0189   5.1661  -5.0804   9.4123  691.379  215.434  535.778  246.015 155.6011 327.0091 
1 1 1  -26   25   27 o  527.261  207.680   3.0339   5.0399   3.5748   5.5036   0.2235   12.546  556.243  217.652  685.130  301.564 -128.8869 371.9045 
1 1 1  -26   25   29 o  790.579  217.888   10.949   5.5670   10.882   6.0452   11.319   14.282  787.171  230.496  868.413  347.178 -81.24194 416.7269 
1 1 1  -26   26    2 o  814.393  234.051   11.147   6.2854   11.147   6.2854   0.0000   0.0000  814.393  234.051  ?   ?  0.000000 234.0512 
1 1 1  -26   26    4 o  710.500  234.769   7.9952   6.0717   7.9952   6.0717   0.0000   0.0000  710.500  234.769  ?   ?  0.000000 234.7691 
1 1 1  -26   26    6 o  471.244  201.077   0.1741   5.2379   1.1979   5.5039  -9.6547   17.053  505.435  210.311  714.619  329.245 -209.1841 390.6827 
1 1 1  -26   26    8 o  513.600  209.295   1.8603   5.3025  -1.2133   5.5982   28.674   16.535  458.066  201.537  1261.35  384.120 -803.2828 433.7802 
1 1 1  -26   26   10 o  655.555  219.831   6.6787   5.3191   7.7558   5.6962  -0.6569   14.865  697.071  227.253  754.100  330.174 -57.02972 400.8227 
1 1 1  -26   26   12 f  830.391  323.334   8.5793   12.100   8.5793   12.100   0.0000   0.0000  830.391  323.334  ?   ?  0.000000 323.3339 
1 1 1  -26   26   14 o  454.036  194.925  -0.0548   4.9768   0.0870   5.2483  -1.3211   15.678  468.984  200.724  762.494  336.298 -293.5100 391.6457 
1 1 1  -26   26   16 o  706.865  217.935   8.2276   5.3027   8.7350   5.6110   3.9872   16.220  727.203  224.177  835.830  355.174 -108.6269 420.0045 
1 1 1  -26   26   18 o  533.064  209.424   2.9339   5.1126   1.9648   5.4128   10.949   15.567  518.335  211.369  920.066  364.166 -401.7311 421.0625 
1 1 1  -26   26   20 f  313.034  152.932  -9.0040   4.9467  -9.1862   5.3351  -7.8871   13.207  330.035  160.705  624.700  288.498 -294.6655 330.2379 
1 1 1  -26   26   22 o  820.415  216.947   11.518   5.6585   10.370   6.1103   18.423   14.993  781.415  232.513  1032.37  367.893 -250.9568 435.2100 
1 1 1  -26   26   24 o  583.906  210.143   4.9354   4.9033   4.8262   5.6158   5.2857   10.058  598.094  223.260  714.759  289.364 -116.6652 365.4812 
1 1 1  -26   27    5 o  630.320  226.039   5.6259   5.6684   5.6259   5.6684   0.0000   0.0000  630.320  226.039  ?   ?  0.000000 226.0394 
1 1 1  -26   27    7 o  613.613  231.623   4.6819   6.0788   4.6819   6.0788   0.0000   0.0000  613.613  231.623  ?   ?  0.000000 231.6232 
1 1 1  -26   27    9 o  445.826  196.615  -1.3154   5.3580  -5.7040   5.7195   30.149   15.315  391.203  183.695  1297.99  362.750 -906.7920 406.6095 
1 1 1  -26   27   11 o  573.558  226.830   3.2181   6.0349   3.2181   6.0349   0.0000   0.0000  573.558  226.830  ?   ?  0.000000 226.8297 
1 1 1  -26   27   13 o  945.267  362.525   12.345   15.041   0.0000   0.0000   12.345   15.041  ?   ?   945.267  362.525 0.000000 362.5248 
1 1 1  -25    0    1 o  1494.38  111.683   35.977   5.1588   35.977   5.1588   35.977   5.1588  1494.38  111.683  1494.38  111.683 -0.000000 0.000000 
1 1 1  -25    0    3 o  3145.28  135.173  158.496   13.257  158.496   13.257  158.496   13.257  3145.28  135.173  3145.28  135.173 -0.000000 0.000000 
1 1 1  -25    0    5 o  815.092  142.017   11.469   3.2951   11.469   3.2951   11.469   3.2951  815.092  142.017  815.092  142.017 -0.000000 0.000000 
1 1 1  -25    0    7 o  565.354  229.876   7.2165   3.9929   7.2165   3.9929   7.2165   3.9929  565.354  229.876  565.354  229.876 -0.000000 0.000000 
1 1 1  -25    0    9 o  576.804  190.885   6.8132   3.0652   6.8132   3.0652   6.8132   3.0652  576.804  190.885  576.804  190.885 -0.000000 0.000000 
1 1 1  -25    0   11 o  708.675  259.537   10.918   5.3155   10.918   5.3155   10.918   5.3155  708.675  259.537  708.675  259.537 -0.000000 0.000000 
1 1 1  -25    0   13 f  254.641  169.389  -0.9139   3.6253  -0.9139   3.6253  -0.9139   3.6253  254.641  169.389  254.641  169.389 -0.000000 0.000000 
1 1 1  -25    0   15 o  861.171  232.925   14.341   5.4287   14.341   5.4287   14.341   5.4287  861.171  232.925  861.171  232.925 -0.000000 0.000000 
1 1 1  -25    0   17 f  279.916  187.023  -1.2779   4.5053  -1.2779   4.5053  -1.2779   4.5053  279.916  187.023  279.916  187.023 -0.000000 0.000000 
1 1 1  -25    0   19 o  885.383  229.253   14.995   5.4927   14.995   5.4927   14.995   5.4927  885.383  229.253  885.383  229.253 -0.000000 0.000000 
1 1 1  -25    0   21 o  1827.63  177.012   55.465   9.9117   55.465   9.9117   55.465   9.9117  1827.63  177.012  1827.63  177.012 -0.000000 0.000000 
1 1 1  -25    0   23 o  1109.26  126.135   20.318   4.2348   20.318   4.2348   20.318   4.2348  1109.26  126.135  1109.26  126.135 -0.000000 0.000000 
1 1 1  -25    0   25 o  1941.14  114.845   60.452   6.9246   60.452   6.9246   60.452   6.9246  1941.14  114.845  1941.14  114.845 -0.000000 0.000000 
1 1 1  -25    0   27 o  322.241  185.301   2.1799   2.9904   2.1799   2.9904   2.1799   2.9904  322.241  185.301  322.241  185.301 -0.000000 0.000000 
1 1 1  -25    0   29 o  1423.23  120.146   32.817   5.2665   32.817   5.2665   32.817   5.2665  1423.23  120.146  1423.23  120.146 -0.000000 0.000000 
1 1 1  -25    0   31 o  2658.91  183.017  115.536   15.072  115.536   15.072  115.536   15.072  2658.91  183.017  2658.91  183.017 -0.000000 0.000000 
1 1 1  -25    0   33 o  491.222  213.459   5.5649   3.3983   5.5649   3.3983   5.5649   3.3983  491.222  213.459  491.222  213.459 -0.000000 0.000000 
1 1 1  -25    0   35 o  2574.23  124.703  105.862   9.9980  105.862   9.9980  105.862   9.9980  2574.23  124.703  2574.23  124.703 -0.000000 0.000000 
1 1 1  -25    0   37 o  2093.78  119.414   70.159   7.7707   70.159   7.7707   70.159   7.7707  2093.78  119.414  2093.78  119.414 -0.000000 0.000000 
1 1 1  -25    0   39 o  1887.52  118.371   57.127   6.9330   57.127   6.9330   57.127   6.9330  1887.52  118.371  1887.52  118.371 -0.000000 0.000000 
1 1 1  -25    0   41 o  1906.56  118.554   58.279   7.0149   58.279   7.0149   58.279   7.0149  1906.56  118.554  1906.56  118.554 -0.000000 0.000000 
1 1 1  -25    0   43 o  1963.59  116.923   61.743   7.1306   61.743   7.1306   61.743   7.1306  1963.59  116.923  1963.59  116.923 -0.000000 0.000000 
1 1 1  -25    0   45 o  2702.94  128.488  116.985   10.819  116.985   10.819  116.985   10.819  2702.94  128.488  2702.94  128.488 -0.000000 0.000000 
1 1 1  -25    0   47 o  2702.66  129.606  117.350   10.911  117.350   10.911  117.350   10.911  2702.66  129.606  2702.66  129.606 -0.000000 0.000000 
1 1 1  -25    0   49 o  177.868  126.599  -4.1489   3.0680  -4.1489   3.0680  -4.1489   3.0680  177.868  126.599  177.868  126.599 -0.000000 0.000000 
1 1 1  -25    0   51 o  733.621  208.433   10.702   4.1481   10.702   4.1481   10.702   4.1481  733.621  208.433  733.621  208.433 -0.000000 0.000000 
1 1 1  -25    0   53 o  556.704  223.624   7.1794   3.7921   7.1794   3.7921   7.1794   3.7921  556.704  223.624  556.704  223.624 -0.000000 0.000000 
1 1 1  -25    0   55 o  2625.63  132.080  112.782   10.796  112.782   10.796  112.782   10.796  2625.63  132.080  2625.63  132.080 -0.000000 0.000000 
1 1 1  -25    0   57 o  246.043  168.914  -2.2984   4.2083  -2.2984   4.2083  -2.2984   4.2083  246.043  168.914  246.043  168.914 -0.000000 0.000000 
1 1 1  -25    0   59 o  2078.20  185.913   74.985   11.875   74.985   11.875   74.985   11.875  2078.20  185.913  2078.20  185.913 -0.000000 0.000000 
1 1 1  -25    1    2 o  898.124   87.352   12.935   2.4255   12.219   3.3932   13.682   3.4683  860.504  129.983  913.308  124.525 -52.80438 180.0059 
1 1 1  -25    1    4 o  1291.86   77.999   26.528   3.1403   26.074   4.3507   27.023   4.5375  1271.18  110.399  1293.29  113.186 -22.11279 158.1111 
1 1 1  -25    1    6 o  1071.62   81.567   18.309   2.7164   20.568   3.8393   16.045   3.8440  1128.18  110.084  989.888  126.940 138.2877 168.0245 
1 1 1  -25    1    8 o  1150.87   81.608   21.103   2.9218   20.317   4.2350   21.817   4.0364  1116.85  123.146  1161.43  112.394 -44.58252 166.7250 
1 1 1  -25    1   10 o  1426.32  110.479   32.792   4.8957   32.792   4.8957   0.0000   0.0000  1426.32  110.479  ?   ?  0.000000 110.4791 
1 1 1  -25    1   12 o  1022.28  131.917   17.185   4.1242   16.618   5.5931   17.860   6.1054  981.854  188.781  1013.72  199.447 -31.86621 274.6220 
1 1 1  -25    1   14 o  1287.11  121.465   26.963   4.8375   33.006   6.9340   21.232   6.7522  1406.48  160.309  1103.88  202.820 302.6057 258.5245 
1 1 1  -25    1   16 o  540.072  168.547   4.8816   3.1607   4.7723   4.3660   5.0021   4.5818  555.419  198.463  567.562  203.255 -12.14203 284.0775 
1 1 1  -25    1   18 o  1091.64  131.682   19.692   4.4102   19.469   6.3782   19.896   6.1048  1050.86  201.162  1069.18  189.277 -18.31799 276.2099 
1 1 1  -25    1   20 o  1075.40  125.326   19.085   4.1410   18.849   5.9895   19.301   5.7315  1035.16  191.850  1054.43  180.057 -19.27722 263.1097 
1 1 1  -25    1   22 o  527.001  146.361   4.7637   2.5013   2.0556   3.1470   9.4094   4.1218  420.163  164.535  727.924  181.470 -307.7605 244.9554 
1 1 1  -25    1   24 o  1077.21   85.003   18.679   2.8439   18.444   4.0450   18.909   3.9991  1053.99  124.999  1068.94  121.648 -14.94641 174.4220 
1 1 1  -25    1   26 f  2098.59   83.026   70.473   5.4558   68.993   7.7200   71.950   7.7114  2048.77  120.874  2094.63  118.054 -45.85742 168.9599 
1 1 1  -25    1   28 o  687.474  110.441   7.8596   2.2969   8.6791   3.2484   7.0402   3.2482  707.261  151.261  632.211  163.029 75.05017 222.3924 
1 1 1  -25    1   30 o  1237.82   96.813   24.848   3.7225   22.475   4.4534   30.350   6.7815  1164.03  124.097  1326.50  166.969 -162.4664 208.0357 
1 1 1  -25    1   32 f  413.269  147.973   2.5634   2.4283  -0.1819   4.4752   3.7090   2.8909  410.965  180.518  476.460  162.052 -65.49506 242.5852 
1 1 1  -25    1   34 o  2181.43   83.378   76.349   5.6952   71.849   8.0382   80.884   8.0705  2083.01  123.796  2217.17  116.658 -134.1580 170.1014 
1 1 1  -25    1   36 f  593.079  127.632   6.0560   2.3000   6.5391   3.5480   5.7058   3.0206  600.984  176.758  565.908  162.140 35.07550 239.8597 
1 1 1  -25    1   38 o  1774.41   81.177   50.757   4.5103   56.188   6.5320   45.808   6.2354  1838.44  114.033  1653.05  121.312 185.3931 166.4932 
1 1 1  -25    1   40 o  2702.13   90.779  119.084   7.6809  123.821   10.943  114.485   10.783  2700.06  129.435  2587.29  133.560 112.7705 185.9883 
1 1 1  -25    1   42 o  2234.51   86.522   81.480   6.0538   80.418   8.5627   82.542   8.5599  2167.41  126.721  2198.65  124.851 -31.24072 177.8928 
1 1 1  -25    1   44 o  1546.97   84.636   39.337   4.0842   32.168   5.6735   47.048   5.8841  1348.88  136.191  1661.05  113.817 -312.1731 177.4889 
1 1 1  -25    1   46 o  1351.93   87.297   30.553   3.6758   28.525   5.0584   32.823   5.3505  1258.95  130.198  1354.26  127.684 -95.30420 182.3587 
1 1 1  -25    1   48 o  1461.65   86.942   36.551   3.9612   36.253   5.4307   36.889   5.7906  1393.36  125.830  1389.51  134.784 3.848633 184.3904 
1 1 1  -25    1   50 o  3586.70  120.556  250.436   13.539  238.626   19.062  262.461   19.235  2998.81  204.217  3226.04  191.266 -227.2334 279.7988 
1 1 1  -25    1   52 f  1829.73   90.848   62.123   5.2050   54.706   7.2281   70.111   7.5014  1508.09  155.287  1780.99  135.530 -272.8998 206.1124 
1 1 1  -25    1   54 o  242.361  116.562  -0.8135   2.5957  -2.3394   2.9152   5.0263   5.7030  231.092  113.804  344.267  167.296 -113.1755 202.3348 
1 1 1  -25    1   56 o  1366.47  123.106   45.539   5.2109   39.714   6.1886   59.732   9.6595  1025.99  199.817  728.412  287.322 297.5834 349.9727 
1 1 1  -25    1   58 o  1236.37  258.905   95.694   9.7019   85.793   13.210  107.287   14.295  413.381  208.969  440.096  221.893 -26.71494 304.8024 
1 1 1  -25    1   60 o  621.377  194.550   23.206   4.2074   16.665   6.8414   27.185   5.3358  ?   ?   468.375  201.477 0.000000 201.4771 
1 1 1  -25    2    1 o  2649.23   87.445  111.589   7.2539  118.178   10.284  105.065   10.233  2707.25  121.317  2545.02  128.832 162.2261 176.9618 
1 1 1  -25    2    3 o  1763.17   75.568   49.216   4.1720   57.455   5.9254   41.117   5.8752  1894.60  100.238  1594.74  118.503 299.8640 155.2115 
1 1 1  -25    2    5 o  1174.41   81.511   21.970   2.9789   20.088   4.2353   23.813   4.1907  1110.17  123.952  1214.12  111.477 -103.9454 166.7066 
1 1 1  -25    2    7 o  2545.39   98.644  103.333   7.8622   94.120   9.5215  123.077   13.938  2412.04  126.509  2730.13  163.802 -318.0903 206.9675 
1 1 1  -25    2    9 o  969.865  104.371   15.200   3.1197   13.695   3.7076   18.849   5.7734  910.848  134.001  1051.65  181.910 -140.8023 225.9371 
1 1 1  -25    2   11 o  484.902  167.506   3.6140   3.0918   5.2757   3.9848   1.1005   4.9009  569.676  190.276  467.963  196.845 101.7132 273.7752 
1 1 1  -25    2   13 o  1807.01  115.121   52.723   6.4799   45.906   9.0558   59.875   9.2760  1651.23  177.958  1901.91  157.167 -250.6738 237.4250 
1 1 1  -25    2   15 o  755.036  143.005   9.5948   3.2571   12.720   4.6953   6.6963   4.5222  857.359  180.601  627.664  202.312 229.6949 271.1950 
1 1 1  -25    2   17 o  1977.95  118.070   63.474   7.2792   63.366   10.476   63.575   10.122  1936.94  174.607  1945.53  167.793 -8.587280 242.1610 
1 1 1  -25    2   19 o  1406.86  115.229   32.233   5.0316   37.061   7.2078   27.644   7.0272  1485.38  157.366  1266.20  182.511 219.1804 240.9858 
1 1 1  -25    2   21 o  736.136  123.934   9.0545   2.7552   8.2561   3.4083   10.560   4.6807  689.336  160.841  767.799  194.475 -78.46265 252.3695 
1 1 1  -25    2   23 o  324.471  126.492   1.1468   1.8536   1.8931   2.9776   0.6746   2.3685  407.263  159.880  334.007  138.387 73.25595 211.4530 
1 1 1  -25    2   25 o  1595.17   80.427   40.738   4.0043   41.069   5.6907   40.413   5.6355  1583.30  115.583  1570.66  115.395 12.64429 163.3266 
1 1 1  -25    2   27 o  1030.38   87.039   17.133   2.7819   18.594   3.9626   15.713   3.9065  1059.24  121.683  967.849  132.371 91.39069 179.8024 
1 1 1  -25    2   29 o  920.356  115.353   14.004   3.2513   13.026   3.9202   16.159   5.8192  872.360  148.858  942.584  203.151 -70.22382 251.8511 
1 1 1  -25    2   31 o  2859.00   92.816  131.514   8.3091  127.467   11.774  135.530   11.728  2772.61  135.613  2864.59  130.753 -91.97192 188.3807 
1 1 1  -25    2   33 o  1835.17  114.860   55.270   6.5670   0.0000   0.0000   55.270   6.5670  ?   ?   1835.17  114.860 0.000000 114.8597 
1 1 1  -25    2   35 o  1612.02   81.741   41.794   4.1125   41.544   5.9334   42.026   5.7052  1582.81  120.626  1596.08  114.925 -13.27344 166.6084 
1 1 1  -25    2   37 o  2426.83  101.620   96.216   7.7221   99.129   13.516   94.804   9.4089  2347.94  185.354  2378.91  126.769 -30.96265 224.5580 
1 1 1  -25    2   39 o  960.569  107.578   15.393   3.1801   14.511   3.8829   17.191   5.5426  913.487  140.229  957.364  191.581 -43.87750 237.4176 
1 1 1  -25    2   41 o  1909.37   83.690   59.199   5.0036   64.514   7.1861   54.198   6.9711  1956.33  117.859  1784.06  125.590 172.2634 172.2315 
1 1 1  -25    2   43 o  1807.63   83.063   53.278   4.7014   55.303   6.7176   51.335   6.5822  1800.36  119.846  1731.56  122.182 68.80029 171.1482 
1 1 1  -25    2   45 o  1307.32   87.072   28.357   3.5440   27.952   5.1191   28.729   4.9112  1253.23  132.457  1279.86  124.108 -26.63232 181.5151 
1 1 1  -25    2   47 o  1620.81   84.581   44.169   4.2777   43.883   6.0146   44.461   6.0853  1554.92  124.578  1563.89  125.321 -8.971924 176.7064 
1 1 1  -25    2   49 o  2181.67   89.847   83.101   6.1378   81.388   8.6585   84.831   8.7019  2022.02  137.573  2073.23  134.776 -51.21460 192.5898 
1 1 1  -25    2   51 o  590.311  157.675   8.3979   2.9697   6.2951   3.5840   13.004   5.3042  464.266  177.223  589.390  217.575 -125.1247 280.6187 
1 1 1  -25    2   53 f  1584.22  110.632   51.604   5.4535   49.170   6.5561   57.072   9.8257  1413.95  150.387  1048.60  289.663 365.3478 326.3751 
1 1 1  -25    2   55 o  704.331  161.169   14.406   3.4775   12.895   4.0582   18.583   6.7466  553.145  191.861  451.469  207.664 101.6753 282.7278 
1 1 1  -25    2   57 o  378.524  157.353   6.7449   3.0768   5.5168   3.5333   10.599   6.2589  326.122  150.110  323.484  160.630 2.638031 219.8517 
1 1 1  -25    2   59 o  1971.25  121.018  108.122   7.4337  111.958   10.433  104.167   10.594  1091.96  297.185  836.448  307.704 255.5137 427.7859 
1 1 1  -25    3    2 o  1879.05   92.636   56.232   5.4505   54.237   6.5802   60.592   9.7284  1833.65  115.190  1910.33  164.232 -76.67883 200.6013 
1 1 1  -25    3    4 o  401.969  140.322   2.3835   2.1724   1.8411   2.4708   4.2315   4.5604  388.661  147.438  545.053  201.637 -156.3927 249.7907 
1 1 1  -25    3    6 o  1767.33   93.153   49.851   5.1368   53.238   6.2816   43.015   8.9247  1819.46  110.786  1599.26  181.432 220.2012 212.5819 
1 1 1  -25    3    8 o  758.422  116.269   9.4360   2.6731   8.9910   3.0824   10.786   5.3683  733.157  139.364  782.516  213.262 -49.35938 254.7611 
1 1 1  -25    3   10 f  1073.26  123.638   18.799   4.0791   18.982   6.0226   18.644   5.5444  1051.23  189.957  1048.37  175.070 2.855713 258.3275 
1 1 1  -25    3   12 o  1088.92  120.335   19.323   4.0345   22.774   5.7897   16.066   5.6250  1165.41  163.130  962.699  193.315 202.7087 252.9467 
1 1 1  -25    3   14 o  2939.73  133.393  140.476   12.279  137.310   17.382  143.630   17.348  2840.65  196.629  2911.62  191.345 -70.97412 274.3643 
1 1 1  -25    3   16 o  733.490  151.258   9.1491   3.3586   5.2901   4.5756   13.657   4.9456  576.886  203.485  886.372  184.204 -309.4854 274.4768 
1 1 1  -25    3   18 o  1286.58  117.016   26.988   4.6626   26.039   6.6109   27.927   6.5770  1233.76  176.125  1283.23  167.695 -49.47510 243.1908 
1 1 1  -25    3   20 o  2107.56   95.450   71.230   6.2990   68.022   7.6774   77.837   11.018  2042.05  120.604  2148.13  165.066 -106.0808 204.4316 
1 1 1  -25    3   22 o  1090.39   88.407   19.144   2.9925   23.050   4.3426   15.613   4.1295  1184.65  118.665  963.290  141.087 221.3636 184.3553 
1 1 1  -25    3   24 o  816.822   96.775   10.875   2.4271   9.6954   3.4846   11.986   3.3824  749.295  153.676  844.604  132.236 -95.30896 202.7381 
1 1 1  -25    3   26 o  1032.83   88.781   17.222   2.8433   15.435   4.0224   19.006   4.0197  957.121  138.221  1071.62  121.967 -114.4976 184.3398 
1 1 1  -25    3   28 o  554.168  129.730   5.2428   2.2114   4.7235   3.3116   5.6607   2.9708  528.802  173.316  570.146  159.921 -41.34436 235.8247 
1 1 1  -25    3   30 o  1272.56   82.217   25.983   3.2586   26.676   4.8223   25.400   4.4205  1271.07  122.686  1244.07  114.772 27.00769 168.0015 
1 1 1  -25    3   32 o  639.938  124.383   6.9300   2.4026   6.8793   3.6538   6.9686   3.1890  622.006  178.360  629.672  161.088 -7.665955 240.3367 
1 1 1  -25    3   34 o  1157.61  101.962   21.889   3.6581   19.616   6.9491   22.761   4.3025  1019.81  223.764  1172.05  118.881 -152.2402 253.3830 
1 1 1  -25    3   36 o  1566.05   96.009   39.915   4.6853   44.657   8.3912   37.768   5.6476  1594.27  170.747  1506.71  120.720 87.55396 209.1118 
1 1 1  -25    3   38 f  1286.91   84.932   26.860   3.4032   28.312   4.9928   25.600   4.6510  1296.27  124.540  1233.95  121.970 62.32251 174.3185 
1 1 1  -25    3   40 o  2426.86  102.671   97.030   7.8020   96.978   9.5090   97.136   13.648  2391.79  127.428  2285.85  192.469 105.9321 230.8294 
1 1 1  -25    3   42 o  2544.99   89.751  105.929   7.1523  105.579   10.126  106.278   10.103  2479.33  130.901  2488.90  130.092 -9.562256 184.5511 
1 1 1  -25    3   44 o  1301.98   86.703   27.953   3.5145   26.431   4.9839   29.459   4.9568  1226.54  131.837  1304.58  122.787 -78.04102 180.1603 
1 1 1  -25    3   46 o  1169.09   91.560   23.035   3.3249   21.451   4.7160   24.601   4.6885  1075.23  143.665  1167.53  130.479 -92.30249 194.0733 
1 1 1  -25    3   48 o  1387.35   87.527   33.023   3.7828   33.129   5.2914   32.913   5.4100  1324.08  129.275  1312.49  133.497 11.59192 185.8320 
1 1 1  -25    3   50 o  998.045  117.678   19.322   3.6069   16.481   4.3681   25.410   6.3944  835.415  172.690  939.496  221.052 -104.0804 280.5105 
1 1 1  -25    3   52 o  311.483  137.622   1.6080   2.6370   3.5220   3.1512  -2.8645   4.8169  368.089  156.484  289.837  143.391 78.25208 212.2461 
1 1 1  -25    3   54 o  1020.63  122.505   23.327   3.8368   21.833   4.6379   26.565   6.8296  856.687  178.678  659.388  246.195 197.2986 304.2003 
1 1 1  -25    3   56 o  2323.71  109.699  121.872   7.9818  123.505   11.257  120.220   11.319  1761.32  208.131  1683.62  219.974 77.69983 302.8318 
1 1 1  -25    3   58 o  566.986  156.278   11.304   2.8637   11.843   3.8850   10.662   4.2379  425.362  176.818  367.937  167.473 57.42514 243.5395 
1 1 1  -25    3   60 o  1732.72  121.612   88.752   6.5564   81.831   9.1327   96.113   9.4181  650.468  270.806  855.269  292.490 -204.8010 398.6052 
1 1 1  -25    4    1 o  1067.02  126.588   18.639   4.1469   18.639   4.1469   0.0000   0.0000  1067.02  126.588  ?   ?  0.000000 126.5880 
1 1 1  -25    4    3 o  1116.43   97.653   20.027   3.3794   22.149   4.0895   15.459   6.0009  1169.57  113.079  937.628  209.654 231.9401 238.2052 
1 1 1  -25    4    5 f  1691.21   93.066   45.670   4.9094   48.786   6.0129   39.438   8.5031  1741.13  110.867  1530.29  180.958 210.8433 212.2201 
1 1 1  -25    4    7 o  1401.33   90.969   31.365   3.9700   31.738   4.8550   30.613   6.8971  1402.80  111.447  1353.89  166.181 48.90955 200.0919 
1 1 1  -25    4    9 o  1317.84  116.091   28.110   4.7416   26.473   6.5864   29.871   6.8315  1254.61  172.199  1336.46  166.884 -81.85681 239.7969 
1 1 1  -25    4   11 o  420.233  153.835   2.4254   2.6434   1.1321   3.8129   3.6223   3.6679  423.892  175.601  499.998  181.488 -76.10556 252.5343 
1 1 1  -25    4   13 o  649.066  160.916   7.2154   3.2542   4.4374   4.8909   9.4221   4.3591  557.871  208.331  734.997  188.499 -177.1260 280.9515 
1 1 1  -25    4   15 f  229.699  111.213  -3.8972   2.4613  -6.2271   3.3139  -1.0307   3.6758  252.488  123.736  361.074  160.847 -108.5857 202.9347 
1 1 1  -25    4   17 o  2292.44  120.587   85.342   8.6256   83.308   12.173   87.394   12.224  2220.15  176.564  2277.81  172.670 -57.66040 246.9615 
1 1 1  -25    4   19 o  1253.72   98.090   25.355   3.8200   25.044   4.6066   26.040   6.8354  1236.83  120.475  1228.08  183.372 8.757690 219.4072 
1 1 1  -25    4   21 f  1016.50   88.091   16.633   2.7761   20.752   4.0838   13.095   3.7853  1124.90  117.681  881.441  141.970 243.4586 184.4029 
1 1 1  -25    4   23 o  1158.81   84.251   21.556   3.0362   22.871   4.5132   20.469   4.1036  1177.28  124.309  1115.37  119.349 61.90955 172.3282 
1 1 1  -25    4   25 o  3249.25   97.531  169.910   9.9230  178.852   14.136  161.225   13.933  3290.15  137.215  3117.11  142.746 173.0479 198.0006 
1 1 1  -25    4   27 o  1510.00   79.578   36.460   3.7493   40.080   5.4933   33.304   5.1300  1567.28  112.688  1426.33  115.863 140.9456 161.6259 
1 1 1  -25    4   29 o  723.835  108.376   8.6519   2.3808   8.5966   3.4626   8.7015   3.2788  702.269  160.913  709.958  152.074 -7.688354 221.4030 
1 1 1  -25    4   31 o  1447.55   81.762   33.576   3.6908   31.371   5.3739   35.544   5.0779  1377.62  125.972  1475.69  110.701 -98.06494 167.7008 
1 1 1  -25    4   33 f  1699.56   81.044   46.195   4.3130   51.812   6.2617   41.125   5.9492  1779.23  112.979  1579.22  121.235 200.0177 165.7176 
1 1 1  -25    4   35 o  930.833  108.636   14.311   3.1068   14.661   5.4475   14.143   3.7822  891.402  200.077  911.988  136.655 -20.58606 242.2919 
1 1 1  -25    4   37 o  531.181  142.527   4.9521   2.4199   5.0509   3.7082   4.8787   3.1937  538.083  183.533  526.933  170.035 11.15045 250.1926 
1 1 1  -25    4   39 o  921.081   97.690   13.999   2.7745   15.249   3.9851   12.822   3.8651  938.054  139.957  852.757  150.238 85.29626 205.3279 
1 1 1  -25    4   41 o  960.572  121.146   15.716   3.5628   18.021   4.3228   10.833   6.2911  1016.79  139.445  717.643  239.062 299.1474 276.7593 
1 1 1  -25    4   43 o  1197.28   91.980   23.682   3.4219   24.603   4.8743   22.787   4.8051  1187.52  133.393  1138.94  137.521 48.58179 191.5878 
1 1 1  -25    4   45 o  905.612  119.704   14.366   3.3112   15.732   4.0617   11.659   5.7175  926.909  144.670  713.059  227.239 213.8497 269.3826 
1 1 1  -25    4   47 o  1180.03  106.588   24.478   3.8959   23.987   4.6566   25.625   7.1123  1134.08  133.702  1030.95  226.506 103.1295 263.0233 
1 1 1  -25    4   49 o  465.023  160.932   4.9270   2.8545   2.7557   3.2307   12.655   6.0952  383.219  160.433  609.277  231.465 -226.0579 281.6285 
1 1 1  -25    4   51 o  422.255  157.421   4.5295   2.7903   2.6730   3.2271   10.029   5.5541  357.084  155.135  498.016  209.523 -140.9323 260.7040 
1 1 1  -25    4   53 o  1612.31   93.049   49.691   4.6776   45.875   6.4857   53.827   6.7527  1348.40  156.523  1495.96  146.020 -147.5645 214.0595 
1 1 1  -25    4   55 f  2091.92  101.098   91.175   6.6222   94.456   9.3075   87.810   9.4240  1773.42  169.684  1625.33  188.684 148.0900 253.7600 
1 1 1  -25    4   57 o  1395.93  102.858   43.717   4.4643   39.701   6.1994   48.044   6.4340  945.180  214.395  1142.03  186.352 -196.8441 284.0639 
1 1 1  -25    4   59 o  1937.94  114.564   99.283   6.9210   84.630   9.6093  115.078   9.9767  778.722  291.777  1396.48  236.605 -617.7566 375.6545 
1 1 1  -25    5    2 o  1325.90  112.255   28.409   4.6167   28.409   4.6167   0.0000   0.0000  1325.90  112.255  ?   ?  0.000000 112.2551 
1 1 1  -25    5    4 o  1711.18   93.961   46.780   5.0153   44.853   6.1501   50.604   8.6650  1665.58  118.700  1747.68  160.120 -82.09595 199.3196 
1 1 1  -25    5    6 o  2067.68   94.275   68.109   6.1038   63.359   7.4419   77.872   10.669  1980.13  120.600  2172.53  157.920 -192.4008 198.7035 
1 1 1  -25    5    8 o  216.833  106.090  -4.5104   2.4069  -3.6992   3.4629  -5.2686   3.3478  298.118  140.888  267.497  129.561 30.62122 191.4038 
1 1 1  -25    5   10 o  1005.62  127.960   16.589   3.9380   17.302   5.4140   15.788   5.7385  1007.17  178.193  952.055  198.906 55.11035 267.0509 
1 1 1  -25    5   12 o  300.928  134.766  -0.9916   2.6172  -1.4159   4.0387  -0.6845   3.4364  372.188  166.992  357.130  157.482 15.05722 229.5364 
1 1 1  -25    5   14 o  1609.86  115.712   41.957   5.7940   44.377   8.3554   39.716   8.0414  1628.22  166.215  1537.42  169.879 90.80273 237.6681 
1 1 1  -25    5   16 o  1124.60   96.768   20.368   3.3744   19.481   4.1241   22.164   5.8694  1090.46  122.928  1142.85  169.124 -52.39282 209.0798 
1 1 1  -25    5   18 o  638.251  111.246   6.7435   2.1425   7.9329   3.2367   5.8161   2.8582  679.661  155.464  582.287  154.289 97.37372 219.0300 
1 1 1  -25    5   20 o  1943.74   80.252   60.136   4.8844   59.324   6.9615   60.924   6.8551  1909.89  116.970  1937.67  113.479 -27.78589 162.9701 
1 1 1  -25    5   22 o  498.988  127.023   4.2196   1.9898   0.4098   3.1175   6.8386   2.5847  366.599  155.745  634.822  134.228 -268.2232 205.6053 
1 1 1  -25    5   24 o  1549.97   80.139   38.380   3.8761   38.008   5.6324   38.714   5.3424  1524.36  118.943  1542.58  111.352 -18.22620 162.9320 
1 1 1  -25    5   26 o  1795.81   80.551   51.406   4.5294   55.019   6.5997   48.189   6.2277  1837.57  115.283  1718.65  116.411 118.9269 163.8344 
1 1 1  -25    5   28 o  579.641  142.737   5.7653   2.5735   4.9386   3.3346   6.9829   4.0468  540.507  173.678  629.890  189.631 -89.38287 257.1458 
1 1 1  -25    5   30 o  1774.16   79.116   50.168   4.3951   55.257   6.3906   45.600   6.0543  1843.12  111.253  1670.74  116.457 172.3805 161.0568 
1 1 1  -25    5   32 o  479.651  133.884   3.9159   2.0875   3.4942   3.1445   4.2482   2.7913  474.269  168.538  501.565  158.662 -27.29572 231.4708 
1 1 1  -25    5   34 o  730.139  121.317   8.9562   2.6763   12.444   4.8428   7.4225   3.2112  828.566  190.624  649.408  159.157 179.1577 248.3312 
1 1 1  -25    5   36 o  2402.06   87.096   92.939   6.5509   94.756   9.4031   91.225   9.1316  2386.14  126.301  2342.64  124.938 43.49634 177.6550 
1 1 1  -25    5   38 o  1884.03   84.120   57.248   4.9625   51.257   7.1096   62.940   6.9300  1742.71  131.252  1948.94  114.055 -206.2361 173.8835 
1 1 1  -25    5   40 o  1579.12   85.149   40.489   4.1947   37.653   6.0071   43.187   5.8601  1487.71  130.264  1605.73  117.364 -118.0162 175.3369 
1 1 1  -25    5   42 o  1538.36  101.132   39.225   4.8443   36.978   5.9047   43.850   8.4727  1467.64  129.827  1541.24  178.891 -73.60205 221.0362 
1 1 1  -25    5   44 o  923.235  144.244   15.373   4.0335   15.373   4.0335   0.0000   0.0000  923.235  144.244  ?   ?  0.000000 144.2441 
1 1 1  -25    5   46 o  1283.30  102.398   28.303   4.0804   26.899   4.8904   31.519   7.4028  1218.66  130.172  1215.99  201.477 2.667603 239.8701 
1 1 1  -25    5   48 f  1638.65  101.095   47.518   5.1619   40.873   6.2077   62.409   9.2928  1449.20  138.484  1689.23  178.385 -240.0282 225.8298 
1 1 1  -25    5   50 o  706.520  129.156   10.127   2.7520   12.610   3.6864   7.0021   4.1362  739.625  163.521  489.119  189.431 250.5065 250.2460 
1 1 1  -25    5   52 o  1289.93   95.824   31.438   3.8428   27.833   5.1574   35.936   5.7616  1072.23  158.382  1232.57  152.541 -160.3440 219.8944 
1 1 1  -25    5   54 o  1239.37   99.808   30.907   3.8405   26.267   5.2479   36.258   5.6353  920.404  188.435  1170.14  157.829 -249.7390 245.8004 
1 1 1  -25    5   56 o  1445.36   99.024   44.263   4.4546   43.347   6.1237   45.292   6.4918  1167.36  172.747  1145.32  187.509 22.03552 254.9537 
1 1 1  -25    5   58 o  1289.23  109.265   40.205   4.3694   37.041   5.8722   44.130   6.5402  850.815  219.096  887.192  232.585 -36.37683 319.5291 
1 1 1  -25    6    1 o  1348.13   92.777   29.075   3.8926   28.596   4.7167   30.098   6.8928  1329.60  114.406  1340.54  167.893 -10.93774 203.1663 
1 1 1  -25    6    3 o  399.170  153.748   1.8440   2.7131   1.8440   2.7131   0.0000   0.0000  399.170  153.748  ?   ?  0.000000 153.7482 
1 1 1  -25    6    5 o  1352.24   92.731   29.244   3.9027   28.962   4.8146   29.785   6.6644  1337.76  116.089  1336.56  162.589 1.199097 199.7799 
1 1 1  -25    6    7 o  261.894  114.773  -0.3619   1.7999   3.5238   3.6413  -1.6183   2.0705  495.982  180.706  246.364  113.934 249.6186 213.6253 
1 1 1  -25    6    9 o  474.353  142.296   3.7183   2.2817   0.6692   4.2964   4.9161   2.6928  432.664  183.273  540.048  152.528 -107.3845 238.4400 
1 1 1  -25    6   11 o  928.411  103.895   13.954   2.9685   12.603   5.5381   14.498   3.5164  844.038  210.311  940.813  122.253 -96.77515 243.2626 
1 1 1  -25    6   13 o  605.218  128.682   6.1448   2.3636   0.2840   4.4429   8.4582   2.7913  428.669  184.107  712.271  129.943 -283.6024 225.3452 
1 1 1  -25    6   15 o  966.252   88.320   14.988   2.6426   17.831   4.0123   12.811   3.5120  1042.38  125.449  879.220  131.614 163.1550 181.8227 
1 1 1  -25    6   17 o  1248.29   79.758   24.855   3.1012   28.318   4.5655   21.887   4.2258  1321.59  111.362  1158.20  118.177 163.3877 162.3804 
1 1 1  -25    6   19 o  1299.95   79.442   26.961   3.2181   32.193   4.7579   22.549   4.3692  1409.93  108.606  1173.88  120.580 236.0453 162.2796 
1 1 1  -25    6   21 o  1219.53   80.883   23.770   3.0711   27.193   4.5576   20.922   4.1565  1292.33  113.788  1130.20  119.251 162.1277 164.8285 
1 1 1  -25    6   23 o  1109.18   83.841   19.718   2.8904   22.947   4.2730   16.995   3.9245  1184.75  116.697  1014.25  126.309 170.5031 171.9657 
1 1 1  -25    6   25 o  489.179  134.089   4.0498   2.1151   5.2455   3.3832   3.2826   2.7099  555.685  174.533  457.406  156.889 98.27939 234.6823 
1 1 1  -25    6   27 o  542.030  151.107   5.0250   2.6608   8.3820   3.2997  -1.2163   4.4992  697.923  155.025  395.316  176.891 302.6073 235.2085 
1 1 1  -25    6   29 o  319.735  127.190   0.9597   1.9077  -3.1607   3.0527   3.6002   2.4437  280.522  132.483  467.138  148.528 -186.6161 199.0286 
1 1 1  -25    6   31 o  1363.76   82.879   29.790   3.5224   30.701   5.1757   29.004   4.8074  1366.82  122.222  1331.09  116.516 35.72949 168.8609 
1 1 1  -25    6   33 o  2826.52  105.038  129.391   9.2964  146.296   16.416  121.412   11.279  2907.39  181.228  2711.01  132.870 196.3770 224.7181 
1 1 1  -25    6   35 o  1390.15   97.136   31.393   4.2016   43.408   7.6373   26.178   5.0315  1593.68  155.008  1250.79  130.385 342.8910 202.5533 
1 1 1  -25    6   37 o  3234.16   99.139  170.077   10.040  181.496   14.298  158.971   14.101  3282.43  139.110  3059.09  147.209 223.3403 202.5393 
1 1 1  -25    6   39 f  937.764  102.048   14.538   2.9481   15.799   4.4456   13.548   3.9388  947.372  155.243  880.270  148.163 67.10193 214.5986 
1 1 1  -25    6   41 o  2568.81   90.959  107.491   7.3164  107.234   10.444  107.739   10.252  2507.47  133.506  2518.01  130.474 -10.53711 186.6746 
1 1 1  -25    6   43 o  2181.90  129.968   82.109   8.8393   82.109   8.8393   0.0000   0.0000  2181.90  129.968  ?   ?  0.000000 129.9683 
1 1 1  -25    6   45 o  1797.92  103.444   54.895   5.7990   51.055   7.1421   62.324   9.9344  1686.23  136.437  1782.19  180.510 -95.96326 226.2723 
1 1 1  -25    6   47 o  2791.91  115.511  139.608   10.098  136.726   12.303  145.558   17.678  2654.24  148.628  2408.56  237.490 245.6758 280.1637 
1 1 1  -25    6   49 o  2403.64   94.238  102.396   7.0927  102.919   9.8883  101.841   10.179  2251.94  140.942  2216.29  147.521 35.64087 204.0274 
1 1 1  -25    6   51 o  2342.56   96.693  101.578   7.0926   99.578   9.9313  103.660   10.132  2091.74  152.684  2134.45  152.611 -42.70898 215.8761 
1 1 1  -25    6   53 o  1726.47   93.480   56.916   5.0347   49.972   7.0146   64.295   7.2305  1382.23  165.355  1659.71  140.447 -277.4836 216.9505 
1 1 1  -25    6   55 o  348.303  145.532   3.8550   2.6512   2.9902   3.4560   5.0917   4.1328  316.143  146.553  347.537  160.808 -31.39407 217.5712 
1 1 1  -25    6   57 o  952.335  150.998   26.669   4.3525   25.411   6.7296   27.574   5.7069  475.768  214.333  678.855  227.704 -203.0862 312.7100 
1 1 1  -25    6   59 o  407.557  167.270   10.422   3.4173   7.7190   5.0940   12.633   4.6080  282.895  141.188  352.253  165.238 -69.35828 217.3420 
1 1 1  -25    7    2 o  674.712  103.590   7.4323   2.1186   2.7959   3.1707   11.172   2.8476  454.240  168.112  827.551  112.833 -373.3116 202.4671 
1 1 1  -25    7    4 o  641.766  127.509   6.8662   2.4720   7.3800   4.5191   6.6469   2.9530  656.593  200.984  625.743  152.178 30.85010 252.0967 
1 1 1  -25    7    6 o  399.235  134.358   2.4450   1.9870   1.8081   4.3387   2.6140   2.2352  464.931  189.376  415.589  142.488 49.34241 236.9940 
1 1 1  -25    7    8 o  1336.53   90.133   28.537   3.7501   30.791   6.9984   27.629   4.4415  1356.41  168.398  1308.85  109.376 47.55908 200.8009 
1 1 1  -25    7   10 o  761.253  110.164   9.4704   2.5496   10.901   4.7950   8.9067   3.0104  790.100  195.000  729.982  136.729 60.11816 238.1593 
1 1 1  -25    7   12 o  411.771  127.632   2.7459   1.8160   2.7158   2.9413   2.7643   2.3084  442.610  162.236  424.837  144.809 17.77264 217.4634 
1 1 1  -25    7   14 o  784.371   97.700   9.9697   2.3476   7.6972   3.5309   11.770   3.1428  668.617  168.668  845.821  122.208 -177.2042 208.2873 
1 1 1  -25    7   16 o  972.488   85.149   15.153   2.5667   19.196   3.8531   11.928   3.4415  1085.95  115.067  846.981  134.243 238.9666 176.8093 
1 1 1  -25    7   18 f  333.723  126.005   1.3624   1.7993   3.1004   3.0549   0.4392   2.2264  460.527  165.857  319.184  133.366 141.3429 212.8265 
1 1 1  -25    7   20 o  1183.71   81.646   22.382   3.0077   20.214   4.3363   24.392   4.1753  1108.94  127.182  1226.38  109.894 -117.4387 168.0829 
1 1 1  -25    7   22 o  1804.89   79.578   51.776   4.4974   55.043   6.4689   48.719   6.2569  1844.13  112.566  1732.83  115.985 111.3058 161.6278 
1 1 1  -25    7   24 o  1293.10   82.034   26.703   3.3043   29.273   4.8296   24.441   4.5308  1341.30  116.140  1223.29  119.822 118.0061 166.8704 
1 1 1  -25    7   26 o  1609.34   95.673   41.581   4.7995   42.486   6.0119   39.990   7.9696  1615.65  119.688  1539.37  168.070 76.28284 206.3316 
1 1 1  -25    7   28 o  1488.35   81.397   35.354   3.7790   37.296   5.5906   33.721   5.1280  1512.76  118.984  1440.04  114.676 72.71790 165.2506 
1 1 1  -25    7   30 o  2304.26   84.505   84.696   6.0972   92.457   8.7985   77.526   8.4572  2386.84  117.725  2177.98  124.526 208.8569 171.3647 
1 1 1  -25    7   32 o  896.777   96.909   13.069   2.6780   11.974   3.9056   14.040   3.6790  835.086  155.069  916.291  132.040 -81.20428 203.6688 
1 1 1  -25    7   34 o  633.317  127.166   6.8112   2.4342   2.6069   3.8214   9.6818   3.1577  460.250  180.982  753.273  138.995 -293.0229 228.1980 
1 1 1  -25    7   36 o  2299.46  100.198   85.778   7.2144   93.474   12.723   82.131   8.7586  2311.68  177.117  2224.39  126.271 87.29712 217.5196 
1 1 1  -25    7   38 o  4008.13  114.010  264.617   14.309  271.756   20.296  257.562   20.176  3959.11  163.717  3845.50  167.558 113.6165 234.2628 
1 1 1  -25    7   40 o  2683.83  108.446  118.677   9.1135  112.105   11.198  131.569   15.684  2563.46  140.035  2692.83  187.174 -129.3723 233.7607 
1 1 1  -25    7   42 o  1652.13  100.356   45.132   5.1671   44.151   6.3473   47.059   8.8968  1608.72  127.039  1596.46  181.185 12.26086 221.2842 
1 1 1  -25    7   44 o  1594.23  104.432   42.848   5.1843   39.249   6.4221   49.582   8.7843  1484.75  139.781  1614.48  176.645 -129.7317 225.2607 
1 1 1  -25    7   46 o  2310.48   89.221   89.827   6.4548   89.749   9.1937   89.903   9.0647  2214.72  133.192  2222.15  130.853 -7.428955 186.7154 
1 1 1  -25    7   48 o  2710.80   98.576  129.533   8.3673  128.246   11.860  130.808   11.807  2511.95  151.488  2547.71  148.648 -35.75830 212.2383 
1 1 1  -25    7   50 o  676.340  136.587   9.5536   2.7930   16.122   3.7451   1.3222   4.1924  874.803  141.557  351.775  162.486 523.0273 215.5001 
1 1 1  -25    7   52 o  1062.20  107.063   22.163   3.5123   24.650   4.8077   19.316   5.1437  1016.62  156.012  787.109  206.224 229.5146 258.5887 
1 1 1  -25    7   54 o  1716.97   92.798   57.242   4.9705   48.550   6.8711   66.783   7.1991  1317.25  170.594  1666.96  139.197 -349.7086 220.1781 
1 1 1  -25    7   56 o  1387.43  129.768   47.747   5.5721   48.258   9.0139   47.430   7.0889  676.549  273.918  1092.97  214.793 -416.4237 348.0907 
1 1 1  -25    7   58 o  1287.89  136.814   47.360   5.4328   39.158   8.9012   52.230   6.8584  416.082  203.670  1071.41  211.941 -655.3234 293.9395 
1 1 1  -25    8    1 o  1533.44   78.153   37.316   3.7401   37.114   5.4368   37.498   5.1533  1517.39  115.289  1527.78  108.427 -10.39050 158.2655 
1 1 1  -25    8    3 o  833.269  100.865   11.226   2.5781   13.537   4.5366   10.123   3.1333  894.213  168.194  781.700  132.758 112.5134 214.2754 
1 1 1  -25    8    5 o  716.284  114.768   8.4190   2.4872   9.6759   4.7137   7.9341   2.9279  745.831  198.384  687.793  140.696 58.03741 243.2111 
1 1 1  -25    8    7 o  564.781  127.171   5.3389   2.1948   3.4991   4.3730   5.9585   2.5376  517.093  196.150  594.864  138.777 -77.77136 240.2784 
1 1 1  -25    8    9 o  705.736  111.742   8.1650   2.3871   7.7403   4.2734   8.3576   2.8779  670.199  193.097  707.672  134.798 -37.47296 235.4931 
1 1 1  -25    8   11 o  756.023   99.283   9.2678   2.2935   7.9623   3.4788   10.271   3.0502  682.326  164.703  788.292  127.961 -105.9660 208.5691 
1 1 1  -25    8   13 o  390.840  133.706   2.3052   1.9681   5.4636   3.1635   0.3110   2.5138  568.597  166.813  333.032  140.579 235.5657 218.1492 
1 1 1  -25    8   15 o  448.354  128.111   3.3377   1.8883   2.1532   2.9551   4.1552   2.4549  420.839  160.857  499.097  147.095 -78.25821 217.9721 
1 1 1  -25    8   17 o  579.364  142.971   5.6894   2.5778   3.9197   3.3785   8.1554   3.9881  503.547  175.035  685.644  182.525 -182.0969 252.8884 
1 1 1  -25    8   19 o  717.571  105.673   8.4183   2.3033   7.1341   3.4645   9.4355   3.0834  643.638  169.541  751.094  136.115 -107.4566 217.4202 
1 1 1  -25    8   21 o  427.721  133.360   2.9732   1.9793   1.7387   3.3288   3.6483   2.4617  420.682  167.801  472.336  148.958 -51.65430 224.3779 
1 1 1  -25    8   23 o  1964.10   80.740   61.256   4.9655   64.204   7.1744   58.546   6.8795  1993.21  115.446  1902.79  116.020 90.42554 163.6716 
1 1 1  -25    8   25 o  3304.93  114.676  175.982   11.867  180.260   14.543  167.456   20.530  3322.10  139.809  3114.45  211.774 207.6538 253.7612 
1 1 1  -25    8   27 o  416.872  137.478   2.7451   2.0825   1.2189   3.2507   3.8075   2.7120  399.760  163.499  483.779  156.751 -84.01923 226.5008 
1 1 1  -25    8   29 o  1476.79   82.039   34.806   3.7787   37.537   5.6021   32.527   5.1183  1518.35  118.779  1413.78  116.660 104.5696 166.4869 
1 1 1  -25    8   31 o  2077.38   82.961   68.802   5.3964   68.361   7.7005   69.228   7.5647  2047.14  120.664  2062.18  117.639 -15.03577 168.5197 
1 1 1  -25    8   33 o  590.838  136.559   5.9763   2.4758   3.1870   3.7306   8.1717   3.3097  478.787  181.278  685.469  157.506 -206.6820 240.1451 
1 1 1  -25    8   35 o  1946.09   82.598   60.629   5.0332   69.648   7.3194   52.538   6.9325  2062.84  113.756  1782.79  124.976 280.0481 168.9956 
1 1 1  -25    8   37 o  1337.01  127.443   29.864   5.2709   30.724   7.6300   29.080   7.2898  1307.15  192.151  1274.34  188.366 32.80176 269.0798 
1 1 1  -25    8   39 o  1537.80  100.586   38.683   4.8167   35.735   5.9452   44.315   8.2174  1455.70  131.860  1588.51  167.743 -132.8113 213.3657 
1 1 1  -25    8   41 o  2287.00  103.283   86.018   7.3962   91.502   9.0764   75.180   12.761  2330.58  124.828  1993.36  207.480 337.2126 242.1361 
1 1 1  -25    8   43 o  2699.07   93.349  119.982   7.8893  115.024   11.145  124.963   11.170  2563.57  139.361  2687.53  132.731 -123.9619 192.4555 
1 1 1  -25    8   45 o  1431.33   92.395   34.436   4.1189   36.275   5.8134   32.582   5.8366  1419.90  132.277  1332.38  142.092 87.51831 194.1321 
1 1 1  -25    8   47 o  2612.95   96.038  118.073   7.8576  115.717   11.144  120.402   11.081  2435.77  146.805  2500.01  142.135 -64.23560 204.3380 
1 1 1  -25    8   49 o  1795.86   91.777   56.981   5.1436   51.166   7.2635   62.830   7.2850  1560.77  150.489  1783.69  131.358 -222.9211 199.7551 
1 1 1  -25    8   51 o  1047.21  110.021   21.238   3.5537   17.788   4.9921   24.783   5.0600  789.475  201.319  1026.90  162.795 -237.4250 258.9045 
1 1 1  -25    8   53 o  2200.34  117.416  101.274   8.0605   83.348   13.644  110.886   9.9903  947.591  349.100  2140.49  150.003 -1192.896 379.9628 
1 1 1  -25    8   55 o  1322.55  126.778   40.762   5.1859   36.478   8.4389   43.361   6.5735  635.560  262.087  1178.65  184.136 -543.0887 320.3051 
1 1 1  -25    8   57 o  313.506  142.268   3.8471   3.0290   1.0538   3.5258   11.717   5.9181  265.036  129.402  354.847  171.967 -89.81055 215.2156 
1 1 1  -25    9    2 o  297.875  124.794   0.2938   1.9569  -2.6254   3.9574   1.2387   2.2515  346.207  159.172  353.717  138.972 -7.509613 211.3035 
1 1 1  -25    9    4 o  610.721  154.089   6.3051   2.9466   3.5413   4.1241   9.1870   4.2114  512.790  191.343  731.333  184.048 -218.5430 265.4913 
1 1 1  -25    9    6 o  1302.59   92.482   27.090   3.7476   26.208   6.7545   27.482   4.5045  1249.55  177.633  1306.47  111.168 -56.91333 209.5512 
1 1 1  -25    9    8 f  805.679   93.599   10.453   2.3173   11.498   3.4904   9.6287   3.0988  832.824  138.725  761.716  134.856 71.10791 193.4702 
1 1 1  -25    9   10 o  623.323  110.351   6.3898   2.0750   6.5567   3.3158   6.2823   2.6603  620.829  166.946  610.823  141.813 10.00598 219.0477 
1 1 1  -25    9   12 o  632.045  108.825   6.5602   2.0760   7.7908   3.0016   5.4316   2.8744  680.318  145.319  567.197  156.666 113.1208 213.6862 
1 1 1  -25    9   14 o  831.712   97.506   11.166   2.4912   14.305   3.8591   8.9234   3.2618  930.889  136.444  728.076  148.117 202.8127 201.3849 
1 1 1  -25    9   16 o  444.258  135.634   3.2227   2.0597   6.0453   3.3509   1.5087   2.6113  596.692  170.717  381.725  149.765 214.9670 227.0987 
1 1 1  -25    9   18 o  1229.81   83.390   24.105   3.1922   26.291   4.7249   22.268   4.3299  1273.02  119.948  1170.80  119.796 102.2202 169.5244 
1 1 1  -25    9   20 o  911.295   94.813   13.365   2.6659   12.968   4.0094   13.679   3.5691  879.931  150.952  912.067  128.538 -32.13635 198.2637 
1 1 1  -25    9   22 o  1173.63   83.622   21.967   3.0529   17.602   4.3717   26.122   4.2652  1032.82  138.685  1272.90  108.031 -240.0845 175.7960 
1 1 1  -25    9   24 o  1200.26   99.416   23.152   3.7027   20.710   4.5024   28.253   6.5083  1124.31  130.306  1300.26  163.465 -175.9518 209.0464 
1 1 1  -25    9   26 o  2689.79   88.708  115.147   7.4713  112.371   10.593  117.895   10.539  2633.77  128.450  2700.36  124.642 -66.59839 178.9833 
1 1 1  -25    9   28 o  1328.21   83.773   28.160   3.4663   33.077   5.0597   23.812   4.7583  1428.66  114.054  1205.27  128.040 223.3828 171.4723 
1 1 1  -25    9   30 o  2293.24   98.967   84.311   7.1065   77.583   12.495   87.529   8.6401  2128.20  189.480  2321.60  119.257 -193.4009 223.8860 
1 1 1  -25    9   32 o  1996.00   83.198   63.549   5.1999   66.832   7.5102   60.527   7.2066  2024.35  119.004  1925.47  120.130 98.87598 169.0952 
1 1 1  -25    9   34 o  980.092  106.438   15.714   3.2140   16.071   4.0374   15.096   5.3104  978.843  135.348  919.791  190.645 59.05182 233.8043 
1 1 1  -25    9   36 o  2266.77  100.302   83.138   7.1192   87.156   8.6944   74.961   12.402  2301.25  121.085  2056.23  194.951 245.0164 229.4938 
1 1 1  -25    9   38 o  1485.29  121.836   36.622   5.6164   30.441   7.7275   43.542   8.1773  1297.12  196.403  1581.93  167.639 -284.8104 258.2189 
1 1 1  -25    9   40 o  1218.86   90.582   24.190   3.4324   23.333   4.7523   25.125   4.9628  1172.48  131.723  1216.59  132.415 -44.11328 186.7741 
1 1 1  -25    9   42 f  2069.87   86.899   69.775   5.6321   74.387   8.0367   65.324   7.8953  2094.08  123.108  1953.68  129.800 140.3994 178.8955 
1 1 1  -25    9   44 o  1699.44  102.615   48.803   5.4349   52.381   6.6940   41.884   9.3097  1731.67  124.280  1409.64  217.948 322.0271 250.8923 
1 1 1  -25    9   46 o  485.971  155.324   4.7405   2.6698   2.9693   3.8572   6.3694   3.6991  424.427  176.287  539.474  183.311 -115.0466 254.3228 
1 1 1  -25    9   48 o  760.262  132.200   11.255   3.0328   9.6417   4.1973   13.018   4.3871  619.141  194.393  741.976  188.466 -122.8347 270.7550 
1 1 1  -25    9   50 f  2222.39  115.151   94.734   7.9857   89.680   13.822   97.267   9.7838  1534.74  298.366  2131.15  147.521 -596.4116 332.8432 
1 1 1  -25    9   52 o  1910.34  116.022   73.606   6.9073   85.602   11.939   67.572   8.4683  1516.26  260.881  1651.47  166.008 -135.2168 309.2212 
1 1 1  -25    9   54 o  551.760  208.696   13.784   4.9413   18.878   7.2440   9.3513   6.7574  498.736  223.719  392.354  188.545 106.3821 292.5733 
1 1 1  -25    9   56 o  486.015  174.963   9.3041   3.3992   8.9555   3.8986   10.410   6.9422  431.013  177.977  351.802  173.696 79.21106 248.6885 
1 1 1  -25   10    1 f  1014.39  100.989   16.505   3.1651   10.696   5.6838   19.117   3.8106  786.374  221.424  1089.20  113.391 -302.8293 248.7687 
1 1 1  -25   10    3 o  1547.91   91.181   38.112   4.3999   38.129   7.8358   38.104   5.3174  1520.66  167.332  1542.00  110.868 -21.34302 200.7279 
1 1 1  -25   10    5 o  445.677  154.046   2.9630   2.6150   9.6669   4.1835  -1.3361   3.3502  752.829  179.923  339.233  152.158 413.5958 235.6357 
1 1 1  -25   10    7 o  511.212  126.044   4.3566   2.0049   0.9579   3.1815   6.5952   2.5820  391.895  161.184  628.632  135.191 -236.7370 210.3727 
1 1 1  -25   10    9 f  773.344   96.376   9.6436   2.2831   8.0865   3.3115   11.054   3.1520  692.250  156.454  820.864  126.711 -128.6138 201.3298 
1 1 1  -25   10   11 o  991.466  102.301   15.812   3.1303   22.077   5.9656   13.432   3.6772  1149.47  170.949  904.096  133.947 245.3759 217.1759 
1 1 1  -25   10   13 o  1164.06   84.447   21.577   3.0571   18.979   4.5831   23.660   4.1034  1075.55  139.363  1212.60  109.243 -137.0542 177.0765 
1 1 1  -25   10   15 o  442.473  133.412   3.1928   2.0019   4.3440   3.2419   2.4832   2.5451  521.545  171.509  420.765  151.403 100.7800 228.7756 
1 1 1  -25   10   17 o  567.197  122.997   5.3565   2.1215   6.4016   3.1660   4.5046   2.8582  614.648  162.154  522.808  159.807 91.83917 227.6668 
1 1 1  -25   10   19 o  1771.24   80.566   49.671   4.4683   51.227   6.5258   48.298   6.1310  1784.04  117.476  1733.64  113.569 50.39685 163.3969 
1 1 1  -25   10   21 o  1501.56   80.718   35.807   3.7812   41.972   5.6533   30.816   5.0864  1615.67  112.447  1381.08  118.774 234.5869 163.5589 
1 1 1  -25   10   23 o  2367.79   99.373   89.364   7.3677   94.810   9.1031   79.021   12.545  2429.18  119.678  2172.19  186.234 256.9849 221.3725 
1 1 1  -25   10   25 o  420.437  138.033   2.7769   2.1002   2.4480   3.2108   3.0228   2.7764  442.554  168.027  451.209  158.571 -8.654999 231.0366 
1 1 1  -25   10   27 o  2854.57   89.337  129.672   7.9853  127.456   11.269  131.907   11.317  2806.11  128.252  2855.92  126.551 -49.80713 180.1773 
1 1 1  -25   10   29 o  448.483  135.434   3.3194   2.0619   1.7485   3.0506   4.6405   2.7976  408.873  161.408  525.462  157.552 -116.5894 225.5551 
1 1 1  -25   10   31 o  1823.87  114.760   53.975   6.5205   58.422   9.3284   49.727   9.1180  1866.76  161.168  1713.36  172.290 153.3982 235.9216 
1 1 1  -25   10   33 o  1114.99  102.406   20.175   3.5353   20.853   4.4831   19.061   5.7494  1121.97  130.017  1045.53  182.243 76.43762 223.8684 
1 1 1  -25   10   35 o  2780.30  107.233  125.214   9.3355  126.352   11.378  122.870   16.330  2769.99  131.182  2643.76  198.717 126.2273 238.1114 
1 1 1  -25   10   37 o  475.856  152.715   3.7995   2.5788   8.1839   3.5858  -0.8978   3.7115  678.947  169.259  360.618  161.064 318.3293 233.6452 
1 1 1  -25   10   39 o  741.128  144.967   9.5461   3.2437   11.439   5.7127   8.6457   3.9405  769.119  223.742  688.438  180.561 80.68115 287.5109 
1 1 1  -25   10   41 o  1853.61   85.566   55.679   4.9664   57.130   7.0860   54.277   6.9627  1840.79  123.653  1792.89  124.802 47.89563 175.6862 
1 1 1  -25   10   43 o  1378.52   89.423   31.398   3.8391   26.095   5.4495   36.625   5.4094  1203.80  147.669  1460.19  119.353 -256.3870 189.8716 
1 1 1  -25   10   45 o  879.702  138.595   14.332   3.6913   11.660   4.4468   20.253   6.6201  739.077  190.831  929.882  228.901 -190.8050 298.0139 
1 1 1  -25   10   47 o  657.098  173.229   9.4372   3.6149   5.4618   6.0991   11.590   4.4882  484.098  211.735  698.455  196.794 -214.3571 289.0671 
1 1 1  -25   10   49 o  1698.74  142.415   58.860   7.5054   59.945   10.559   57.751   10.671  1443.17  242.244  1379.16  256.532 64.01282 352.8322 
1 1 1  -25   10   51 o  469.399  193.109   7.2345   4.5680   16.600   6.5765  -1.4957   6.3497  615.847  238.765  342.171  168.400 273.6755 292.1769 
1 1 1  -25   10   53 o  595.850  184.232   10.872   3.7863   9.2209   4.5303   14.698   6.8961  483.260  194.705  491.549  219.543 -8.288666 293.4435 
1 1 1  -25   10   55 o  1622.78  123.650   59.686   6.2358   54.496   7.5726   70.619   10.991  1314.99  189.370  966.604  315.695 348.3867 368.1360 
1 1 1  -25   11    2 o  411.496  143.572   2.4546   2.2741   11.373   4.2661  -1.0857   2.6878  822.532  171.208  305.353  136.672 517.1791 219.0695 
1 1 1  -25   11    4 o  879.043   94.687   12.380   2.5651   14.069   3.8522   11.035   3.4383  927.169  136.800  818.417  139.148 108.7515 195.1318 
1 1 1  -25   11    6 f  811.244  115.683   10.691   2.8554   12.559   3.7282   8.0414   4.4408  873.596  141.101  688.968  196.326 184.6273 241.7718 
1 1 1  -25   11    8 o  171.950   84.337  -3.0819   1.5497  -2.2349   2.5614  -3.5710   1.9462  269.359  125.310  197.263   96.275 72.09608 158.0233 
1 1 1  -25   11   10 o  1296.32   82.239   26.668   3.3209   28.495   4.8750   25.086   4.5361  1330.91  118.210  1248.36  117.425 82.55103 166.6201 
1 1 1  -25   11   12 o  956.222   92.221   14.622   2.7270   14.826   4.0822   14.457   3.6647  949.897  141.570  941.914  127.532 7.982422 190.5428 
1 1 1  -25   11   14 o  657.872  115.201   7.0992   2.2866   6.2316   3.5800   7.6971   2.9718  609.633  177.054  678.697  144.285 -69.06396 228.3992 
1 1 1  -25   11   16 o  1945.84   79.906   59.850   4.8686   61.501   6.9569   58.266   6.8158  1959.78  113.860  1907.08  114.670 52.69275 161.5962 
1 1 1  -25   11   18 o  1043.42   86.521   17.357   2.8013   21.283   4.1538   14.081   3.7940  1148.22  117.173  926.633  134.704 221.5920 178.5347 
1 1 1  -25   11   20 o  1833.93   80.029   53.194   4.5956   50.850   6.4915   55.549   6.5069  1779.22  117.176  1861.88  112.134 -82.65918 162.1859 
1 1 1  -25   11   22 o  880.996   95.686   12.474   2.5972   10.693   3.8602   13.947   3.5105  796.767  160.280  924.388  124.445 -127.6213 202.9192 
1 1 1  -25   11   24 o  540.109  136.605   4.8950   2.3118   5.1357   3.5672   4.7208   3.0356  560.098  179.597  534.872  164.891 25.22675 243.8118 
1 1 1  -25   11   26 o  1792.68   81.665   50.949   4.5841   51.112   6.6174   50.799   6.3563  1779.29  119.468  1775.80  114.928 3.485352 165.7745 
1 1 1  -25   11   28 o  1267.83   97.492   25.802   3.8407   25.913   4.8350   25.613   6.3225  1261.10  124.046  1234.26  167.956 26.83716 208.7975 
1 1 1  -25   11   30 o  674.172  153.347   7.7645   3.1641   7.6727   4.5986   7.8470   4.3603  663.860  202.662  670.344  195.607 -6.483765 281.6626 
1 1 1  -25   11   32 o  1319.94   97.564   28.062   4.0038   30.064   5.0406   24.640   6.5905  1357.02  119.857  1196.30  181.650 160.7196 217.6298 
1 1 1  -25   11   34 o  2217.37   85.831   78.519   5.9594   80.598   8.4505   76.462   8.4053  2221.51  121.951  2161.57  124.714 59.93896 174.4294 
1 1 1  -25   11   36 f  2323.52   88.295   86.499   6.4239   81.634   9.0526   91.433   9.1173  2224.09  130.561  2360.22  123.798 -136.1265 179.9228 
1 1 1  -25   11   38 o  2540.12   91.019  103.935   7.2394  105.655   10.206  102.194   10.271  2522.12  129.666  2476.79  132.919 45.33374 185.6903 
1 1 1  -25   11   40 o  1978.53   85.522   63.229   5.2983   61.652   7.3847   64.902   7.6060  1918.75  123.570  1968.38  124.039 -49.62305 175.0864 
1 1 1  -25   11   42 o  1848.24   87.233   55.849   5.0485   53.736   7.1080   57.999   7.1716  1765.15  129.506  1839.50  125.255 -74.34753 180.1679 
1 1 1  -25   11   44 o  1523.02  108.225   39.801   5.1276   46.796   8.7796   36.180   6.3169  1528.27  187.392  1403.40  145.880 124.8712 237.4800 
1 1 1  -25   11   46 o  1095.62  154.375   23.536   5.1493   22.232   7.2609   24.855   7.3036  915.005  247.464  993.034  237.991 -78.02850 343.3339 
1 1 1  -25   11   48 o  724.141  200.684   13.082   4.7079   11.811   6.5521   14.437   6.7691  594.563  235.966  652.131  244.783 -57.56818 339.9978 
1 1 1  -25   11   50 o  633.525  174.718   9.8285   3.5782   6.3983   4.2468   18.224   6.6436  473.615  189.325  697.711  245.286 -224.0960 309.8537 
1 1 1  -25   11   52 f  1278.40  122.604   33.475   4.8476   33.375   5.8362   33.697   8.7054  1182.01  161.944  806.104  280.925 375.9039 324.2606 
1 1 1  -25   11   54 o  1454.57  122.061   45.714   5.5080   41.504   6.6398   55.002   9.8632  1213.26  180.256  987.104  295.794 226.1542 346.3907 
1 1 1  -25   11   56 o  423.754  174.354   7.9875   3.7244   6.2732   4.4002   12.319   6.9939  358.900  166.018  375.313  183.025 -16.41339 247.1040 
1 1 1  -25   12    1 o  489.018  137.470   3.9352   2.1927   4.5156   3.1385   3.3819   3.0646  530.937  168.273  479.499  166.704 51.43762 236.8672 
1 1 1  -25   12    3 o  1874.99   80.449   55.469   4.7232   54.596   6.7210   56.320   6.6390  1848.85  116.694  1878.93  113.373 -30.08167 162.6991 
1 1 1  -25   12    5 o  331.690  131.772   0.9572   2.0452   0.6792   3.1068   1.1698   2.7169  381.163  158.255  377.250  151.209 3.913696 218.8809 
1 1 1  -25   12    7 o  993.035  108.898   15.844   3.3305   17.791   4.0368   11.691   5.8942  1048.85  125.402  824.850  222.910 223.9976 255.7625 
1 1 1  -25   12    9 o  351.730  129.637   1.5817   1.8817   1.8173   2.9465   1.4195   2.4454  412.030  159.798  372.739  145.293 39.29034 215.9752 
1 1 1  -25   12   11 o  947.283   88.347   14.309   2.5903   15.061   3.7759   13.641   3.5601  962.722  128.462  915.642  127.641 47.07971 181.0928 
1 1 1  -25   12   13 o  1727.45   80.277   47.115   4.3422   49.523   6.2785   44.907   6.0118  1759.88  114.560  1675.29  115.306 84.58630 162.5402 
1 1 1  -25   12   15 o  619.641  119.776   6.3251   2.2399   2.8417   3.2340   9.5367   3.1053  461.917  169.994  760.543  135.355 -298.6257 217.2989 
1 1 1  -25   12   17 o  830.528   94.307   11.067   2.4090   11.429   3.4424   10.720   3.3724  833.659  136.608  806.310  138.568 27.34851 194.5840 
1 1 1  -25   12   19 o  2514.26   86.884  100.048   6.8402   95.194   9.6697  104.910   9.6772  2434.45  127.293  2561.86  120.637 -127.4028 175.3758 
1 1 1  -25   12   21 o  257.485  112.988  -0.3975   1.7493   3.5965   2.7350  -3.1625   2.2757  478.646  157.539  229.893  110.192 248.7532 192.2525 
1 1 1  -25   12   23 o  1254.10   84.554   25.016   3.3010   25.931   4.8550   24.230   4.5016  1265.74  124.093  1224.80  118.875 40.93726 171.8437 
1 1 1  -25   12   25 o  1123.43   88.959   20.151   3.1037   21.153   4.5668   19.291   4.2311  1138.88  130.413  1088.28  126.524 50.60217 181.7029 
1 1 1  -25   12   27 o  1098.84  103.959   19.451   3.5345   19.906   4.5123   18.728   5.6857  1101.96  133.495  1050.11  179.355 51.85291 223.5819 
1 1 1  -25   12   29 o  1650.34  115.712   44.012   5.9417   41.350   8.4991   46.557   8.3098  1567.91  176.164  1674.19  160.482 -106.2788 238.3024 
1 1 1  -25   12   31 o  1548.13   84.830   38.237   4.0966   37.132   5.8814   39.279   5.7093  1508.90  125.622  1555.72  118.082 -46.81848 172.4074 
1 1 1  -25   12   33 o  2215.59   85.780   78.234   5.9510   76.827   8.4179   79.639   8.4142  2171.48  124.320  2212.60  121.919 -41.12329 174.1253 
1 1 1  -25   12   35 o  430.936  148.916   2.8703   2.4437   1.5462   3.5574   4.0534   3.3626  420.906  171.466  504.296  174.662 -83.38931 244.7594 
1 1 1  -25   12   37 o  820.643  111.086   11.128   2.7811   13.358   3.8543   8.7056   4.0170  885.976  143.868  697.148  182.046 188.8280 232.0315 
1 1 1  -25   12   39 o  2073.74   86.724   69.326   5.6313   71.238   7.9759   67.427   7.9520  2068.51  123.708  2008.98  127.065 59.52783 177.3394 
1 1 1  -25   12   41 o  1239.73  146.077   27.007   5.5617   24.378   7.5148   30.190   8.2704  1099.14  225.899  1229.90  222.963 -130.7620 317.4000 
1 1 1  -25   12   43 o  2053.14  132.138   74.318   8.4499   73.729   11.886   74.920   12.015  1910.88  201.696  1924.88  202.373 -14.00012 285.7205 
1 1 1  -25   12   45 o  1781.57  135.496   58.224   7.5020   48.907   10.356   68.512   10.883  1437.09  238.495  1797.07  196.609 -359.9745 309.0871 
1 1 1  -25   12   47 o  1839.20  109.304   60.384   6.2665   56.597   7.5021   69.126   11.398  1712.44  141.169  1684.33  221.479 28.11328 262.6432 
1 1 1  -25   12   49 o  1549.01  110.310   44.254   5.3154   38.796   6.3883   56.533   9.5825  1362.11  152.393  1489.19  211.438 -127.0848 260.6328 
1 1 1  -25   12   51 o  932.886  153.673   19.327   4.3326   18.423   5.0877   21.712   8.2650  824.006  199.350  640.664  261.213 183.3417 328.5919 
1 1 1  -25   12   53 o  1206.94  133.269   31.770   4.9526   22.271   5.8355   56.231   9.3644  797.224  224.316  1246.23  248.688 -449.0108 334.9080 
1 1 1  -25   12   55 o  575.602  184.472   11.387   3.7639   11.510   4.3197   10.998   7.6706  522.831  195.682  384.091  188.235 138.7399 271.5211 
1 1 1  -25   13    2 o  1118.95   90.337   19.904   3.1382   27.978   4.5131   12.345   4.3666  1323.65  109.882  860.997  167.999 462.6544 200.7426 
1 1 1  -25   13    4 o  1277.30   82.531   25.840   3.2832   27.129   4.6820   24.593   4.6052  1301.77  116.082  1237.90  120.328 63.86780 167.1940 
1 1 1  -25   13    6 o  589.723  131.610   5.7612   2.3686   2.7864   3.3403   8.7699   3.3593  465.107  172.468  726.178  152.586 -261.0709 230.2771 
1 1 1  -25   13    8 o  1005.71  106.065   16.208   3.2897   17.877   4.0760   13.087   5.5719  1052.02  126.258  876.901  206.362 175.1168 241.9223 
1 1 1  -25   13   10 o  371.598  132.922   1.8938   1.9590   2.7569   2.8207   1.0897   2.7227  445.263  159.476  374.936  150.984 70.32700 219.6109 
1 1 1  -25   13   12 o  415.132  136.262   2.6547   2.0467   4.0974   2.9119   1.2462   2.8772  507.762  162.206  388.329  155.621 119.4327 224.7858 
1 1 1  -25   13   14 f  911.768   92.712   13.282   2.6101   16.921   3.8398   10.157   3.5586  1023.51  122.229  782.426  150.719 241.0863 194.0516 
1 1 1  -25   13   16 o  1999.98   81.581   63.149   5.1089   62.930   7.2411   63.366   7.2092  1984.53  117.047  1991.75  116.098 -7.218384 164.8597 
1 1 1  -25   13   18 o  330.404  130.295   1.0146   1.9859  -0.9656   2.8832   2.8021   2.7394  320.971  142.754  443.589  157.342 -122.6179 212.4506 
1 1 1  -25   13   20 o  885.866  100.014   12.608   2.7257   11.597   3.9858   13.496   3.7357  833.651  158.483  907.757  135.583 -74.10602 208.5660 
1 1 1  -25   13   22 o  1551.09   96.941   38.335   4.6847   35.391   5.6883   44.541   8.2590  1481.94  123.714  1647.80  162.169 -165.8597 203.9706 
1 1 1  -25   13   24 o  1693.60   94.181   45.677   4.9747   45.937   6.1684   45.192   8.4139  1690.67  117.244  1656.55  164.379 34.12598 201.9074 
1 1 1  -25   13   26 o  1359.47   99.013   29.571   4.1859   30.636   5.3113   27.827   6.8003  1375.36  124.685  1290.89  172.557 84.47717 212.8900 
1 1 1  -25   13   28 o  727.859  129.044   8.7819   2.8334   8.3937   4.8421   8.9840   3.4940  696.970  206.889  728.004  157.826 -31.03394 260.2151 
1 1 1  -25   13   30 f  919.514  100.387   13.655   2.8434   14.932   4.1794   12.555   3.8797  947.058  145.596  865.891  148.433 81.16760 207.9201 
1 1 1  -25   13   32 o  2317.89   87.633   85.526   6.3603   83.171   9.0804   87.795   8.9117  2260.97  128.794  2327.14  122.732 -66.16992 177.9074 
1 1 1  -25   13   34 o  1959.94   84.839   61.202   5.2066   59.769   7.2825   62.701   7.4467  1915.75  122.037  1962.48  121.785 -46.73376 172.4087 
1 1 1  -25   13   36 o  1186.05  109.330   22.957   4.0146   24.563   4.8145   19.291   7.2729  1218.19  128.139  1016.98  233.344 201.2103 266.2124 
1 1 1  -25   13   38 o  1421.57  135.764   33.999   5.9698   36.869   8.5926   31.322   8.3000  1429.01  197.294  1304.44  210.361 124.5739 288.4041 
1 1 1  -25   13   40 o  1896.11  127.551   60.918   7.5289   57.179   10.769   64.494   10.530  1743.54  200.929  1881.45  180.973 -137.9167 270.4137 
1 1 1  -25   13   42 o  1664.52  132.490   48.422   6.8482   50.521   9.6436   46.288   9.7267  1607.63  195.606  1515.82  210.619 91.81213 287.4406 
1 1 1  -25   13   44 o  1300.78  114.646   29.485   4.6218   30.402   5.5851   27.494   8.2324  1289.16  140.641  1069.91  250.200 219.2523 287.0190 
1 1 1  -25   13   46 o  360.415  156.739   1.1467   3.3008  -1.7798   3.8863   8.7233   6.2532  321.219  151.021  572.169  229.376 -250.9500 274.6285 
1 1 1  -25   13   48 o  1278.15  118.501   30.236   4.6887   27.677   5.4772   37.257   9.0709  1164.96  153.920  1125.69  262.218 39.26514 304.0558 
1 1 1  -25   13   50 o  715.637  175.237   12.111   3.8954   12.098   4.4572   12.152   8.0149  671.624  198.280  525.458  235.541 146.1660 307.8867 
1 1 1  -25   13   52 o  271.172  131.699  -2.3360   3.5205  -4.3495   4.0284   4.1733   7.2431  264.913  131.073  395.239  191.215 -130.3266 231.8264 
1 1 1  -25   13   54 o  814.691  177.058   18.251   4.3878   19.890   5.1206   13.724   8.5112  775.345  207.025  426.282  206.496 349.0628 292.4041 
1 1 1  -25   14    1 o  350.357  145.023   0.5772   2.5976  -5.0678   4.8961   2.7886   3.0645  358.720  168.917  455.795  165.821 -97.07410 236.7055 
1 1 1  -25   14    3 o  621.049  143.796   6.4066   2.7412   5.4945   3.4003   8.1000   4.6329  579.553  173.677  696.331  201.180 -116.7775 265.7762 
1 1 1  -25   14    5 o  494.048  140.292   4.0006   2.2717   5.4792   3.2442   2.5780   3.1821  577.266  168.804  451.864  168.180 125.4017 238.2842 
1 1 1  -25   14    7 o  622.719  130.581   6.4022   2.4648   8.4853   3.4549   4.2428   3.5176  713.482  158.740  528.162  178.761 185.3206 239.0691 
1 1 1  -25   14    9 o  622.734  143.477   6.4434   2.7401   7.3035   3.2358   4.2635   5.1517  661.425  158.342  572.271  213.793 89.15485 266.0441 
1 1 1  -25   14   11 o  551.348  134.123   5.0418   2.2933   4.3111   3.1014   5.9235   3.4066  521.796  167.475  598.321  172.412 -76.52490 240.3617 
1 1 1  -25   14   13 o  827.321  106.814   11.025   2.7024   16.107   3.8300   5.9862   3.8137  998.184  125.300  604.503  184.560 393.6807 223.0754 
1 1 1  -25   14   15 o  1585.43   83.749   39.781   4.1429   38.483   5.8508   41.087   5.8670  1550.06  121.519  1603.02  117.710 -52.95667 169.1815 
1 1 1  -25   14   17 o  629.602  128.554   6.5506   2.4487   5.1438   3.5343   7.8493   3.3957  564.548  178.528  684.166  161.163 -119.6180 240.5110 
1 1 1  -25   14   19 o  635.203  123.196   6.6490   2.3619   6.8321   3.3865   6.4755   3.2959  637.634  167.460  621.328  166.176 16.30548 235.9183 
1 1 1  -25   14   21 o  248.113  118.852  -3.6262   2.6384  -3.6262   2.6384   0.0000   0.0000  248.113  118.852  ?   ?  0.000000 118.8523 
1 1 1  -25   14   23 o  1223.16  102.645   23.942   3.8950   27.623   4.8439   17.208   6.5515  1309.66  119.434  998.326  215.868 311.3329 246.7053 
1 1 1  -25   14   25 o  2253.50   85.402   80.410   6.0262   84.735   8.6109   76.259   8.4364  2297.80  120.096  2177.67  124.237 120.1331 172.7944 
1 1 1  -25   14   27 o  1243.28   99.878   24.754   3.8554   22.647   6.6271   25.832   4.7402  1156.07  189.650  1263.68  121.286 -107.6093 225.1163 
1 1 1  -25   14   29 o  925.569  118.333   13.954   3.3510   13.348   4.1577   15.078   5.6609  893.284  154.219  933.148  199.768 -39.86444 252.3701 
1 1 1  -25   14   31 o  2137.81   98.589   72.919   6.5996   74.868   8.1939   69.318   11.135  2152.34  122.083  2036.65  176.342 115.6907 214.4778 
1 1 1  -25   14   33 o  2551.73  104.247  104.420   8.3294  106.022   10.260  101.322   14.267  2552.50  128.780  2443.80  187.882 108.6936 227.7805 
1 1 1  -25   14   35 o  2006.48  125.928   65.924   7.8717   68.493   11.435   63.611   10.852  1996.05  185.065  1925.83  182.125 70.21155 259.6505 
1 1 1  -25   14   37 o  1804.65  130.506   54.168   7.3249   51.718   10.461   56.524   10.260  1698.13  200.606  1791.87  185.554 -93.73840 273.2639 
1 1 1  -25   14   39 o  1791.49  128.143   54.131   7.1409   47.235   10.199   60.763   10.001  1581.14  211.285  1842.79  175.445 -261.6520 274.6315 
1 1 1  -25   14   41 o  1066.15  159.010   20.631   5.1460   20.519   7.3959   20.736   7.1646  975.068  243.085  991.098  234.522 -16.03052 337.7735 
1 1 1  -25   14   43 o  642.029  170.112   8.0897   3.4746   11.292   4.0924  -0.1790   6.5766  757.202  175.954  443.971  204.518 313.2303 269.7914 
1 1 1  -25   14   45 o  2571.11  110.349  114.870   8.8839  110.153   10.807  124.705   15.603  2437.31  142.219  2383.21  211.276 54.10352 254.6836 
1 1 1  -25   14   47 o  952.678  140.908   17.467   4.0766   19.022   4.9502   14.190   7.1861  953.495  172.135  668.413  251.951 285.0820 305.1391 
1 1 1  -25   14   49 o  1325.31  120.722   33.057   4.9549   31.430   5.9741   36.643   8.8691  1219.40  160.350  1096.01  261.990 123.3850 307.1659 
1 1 1  -25   14   51 o  406.736  171.235   3.9235   3.7137   1.7251   4.2617   10.861   7.5706  361.818  165.916  497.520  225.433 -135.7018 279.9077 
1 1 1  -25   14   53 o  475.674  179.207   6.9790   3.6346   7.4830   4.1756   5.4033   7.3831  469.473  187.710  393.005  190.835 76.46808 267.6805 
1 1 1  -25   15    2 o  1130.61  134.832   20.642   4.6792   0.0000   0.0000   20.642   4.6792  ?   ?   1130.61  134.832 0.000000 134.8324 
1 1 1  -25   15    4 o  318.514  134.479   0.1783   2.3011   1.7099   3.2791  -1.3077   3.2300  424.661  167.437  335.127  149.924 89.53452 224.7495 
1 1 1  -25   15    6 o  986.132  128.461   15.719   3.8725   16.518   5.2566   14.770   5.7265  999.034  174.383  936.235  201.322 62.79828 266.3452 
1 1 1  -25   15    8 o  1541.28   97.355   37.688   4.6743   36.437   7.9306   38.354   5.7862  1494.50  172.648  1549.60  120.190 -55.09937 210.3632 
1 1 1  -25   15   10 o  1736.89   96.561   47.822   5.2309   53.351   6.4347   37.049   8.9820  1830.85  112.791  1498.11  196.189 332.7373 226.3004 
1 1 1  -25   15   12 f  456.852  141.872   3.3268   2.2426   8.6645   3.0762  -2.7270   3.2761  724.748  140.628  307.321  142.544 417.4272 200.2371 
1 1 1  -25   15   14 o  1102.96   89.816   19.336   3.0750   23.056   4.3435   15.598   4.3539  1199.21  117.169  976.765  146.902 222.4418 187.9063 
1 1 1  -25   15   16 o  1027.04   95.476   16.823   3.0353   16.968   4.3511   16.685   4.2362  1021.06  139.762  1013.11  137.057 7.946167 195.7494 
1 1 1  -25   15   18 o  1671.20   96.787   44.352   5.0431   43.007   6.1852   47.021   8.7108  1638.95  121.386  1698.37  165.916 -59.42419 205.5788 
1 1 1  -25   15   20 f  912.718  143.082   13.668   3.9548   13.668   3.9548   0.0000   0.0000  912.718  143.082  ?   ?  0.000000 143.0819 
1 1 1  -25   15   22 o  1320.40  100.308   27.810   4.1162   28.418   5.0564   26.615   7.0875  1328.78  122.918  1264.42  184.441 64.35815 221.6468 
1 1 1  -25   15   24 o  1962.02   95.710   61.041   5.8800   65.208   7.2767   53.203   9.9813  2018.92  115.587  1795.45  179.962 223.4727 213.8850 
1 1 1  -25   15   26 o  3633.06  120.564  211.135   13.715  211.655   16.846  210.112   23.622  3617.55  148.716  3539.00  214.173 78.54858 260.7423 
1 1 1  -25   15   28 o  1679.47   99.341   45.009   5.2009   41.079   6.4900   52.062   8.6949  1592.97  131.282  1782.31  157.417 -189.3458 204.9762 
1 1 1  -25   15   30 o  1934.99   98.441   59.780   5.9448   62.052   7.2956   55.291   10.255  1962.70  119.277  1818.42  182.574 144.2789 218.0831 
1 1 1  -25   15   32 o  923.706  172.143   14.551   4.7958   17.591   6.7583   11.467   6.8065  993.987  222.666  798.894  247.013 195.0933 332.5593 
1 1 1  -25   15   34 o  408.121  174.916   0.3513   3.9953  -2.1568   6.0343   2.3090   5.3313  443.600  201.109  507.289  208.648 -63.68872 289.7917 
1 1 1  -25   15   36 o  1567.15  132.568   40.850   6.4443   35.776   9.4004   45.349   8.8516  1395.64  222.584  1615.21  177.968 -219.5668 284.9850 
1 1 1  -25   15   38 o  1020.33  125.066   17.554   3.9121   13.924   4.6214   26.731   7.3482  878.665  174.127  1199.97  202.792 -321.3032 267.2917 
1 1 1  -25   15   40 o  451.374  170.643   3.1768   3.3025   3.6488   3.8835   1.9435   6.2772  480.193  184.197  493.875  215.440 -13.68201 283.4484 
1 1 1  -25   15   42 o  1812.73  135.589   57.814   7.6404   65.106   10.704   50.241   10.909  1833.14  189.201  1537.23  234.029 295.9063 300.9432 
1 1 1  -25   15   44 o  1420.17  112.131   34.898   4.9458   36.743   5.9961   30.971   8.7479  1426.56  135.876  1141.32  251.560 285.2477 285.9102 
1 1 1  -25   15   46 o  1736.76  110.812   53.020   5.9947   49.568   7.2004   60.818   10.822  1621.45  143.294  1634.39  216.816 -12.94336 259.8895 
1 1 1  -25   15   48 o  2339.41  110.918   98.199   8.1250   89.606   9.7988  117.108   14.535  2130.46  147.802  2208.25  212.851 -77.79395 259.1346 
1 1 1  -25   15   50 o  1508.21  118.367   42.994   5.5451   40.628   6.6221   48.546   10.144  1385.11  155.363  1229.01  270.885 156.0967 312.2759 
1 1 1  -25   15   52 o  538.689  188.861   8.4878   3.9373   8.4265   4.5496   8.6707   7.8583  508.432  198.182  449.098  212.238 59.33438 290.3808 
1 1 1  -25   16    1 o  1019.45   97.256   16.557   3.0669   16.465   4.2612   16.657   4.4175  1007.71  138.723  1012.52  143.338 -4.803467 199.4739 
1 1 1  -25   16    3 o  791.744  165.483   10.415   3.9704   0.0000   0.0000   10.415   3.9704  ?   ?   791.744  165.483 0.000000 165.4834 
1 1 1  -25   16    5 o  239.717  112.894  -2.3781   2.1882  -2.2112   3.0545  -2.5540   3.1363  304.207  139.855  302.376  139.974 1.830170 197.8684 
1 1 1  -25   16    7 o  972.987  117.564   15.221   3.5091   21.790   5.8179   11.464   4.3995  1154.31  165.717  829.317  174.926 324.9924 240.9591 
1 1 1  -25   16    9 o  852.381  126.448   11.785   3.2726   14.387   5.4571   10.323   4.0896  926.204  194.362  786.851  170.879 139.3527 258.7979 
1 1 1  -25   16   11 o  422.639  155.348   2.3106   2.6995   0.6970   4.4165   3.2731   3.4109  446.625  187.313  487.182  175.275 -40.55722 256.5302 
1 1 1  -25   16   13 o  706.410  170.889   8.3488   3.7388   1.6559   5.1381   15.881   5.4507  500.679  205.254  975.988  185.132 -475.3096 276.4105 
1 1 1  -25   16   15 o  1207.22  128.305   23.449   4.7757   21.453   6.3560   26.038   7.2373  1137.76  184.746  1253.97  190.297 -116.2152 265.2246 
1 1 1  -25   16   17 o  1237.10  128.385   24.630   4.9008   31.948   6.8739   17.065   6.9891  1401.25  159.507  998.257  228.525 402.9940 278.6867 
1 1 1  -25   16   19 o  2029.94  175.239   67.173   11.029   67.173   11.029   0.0000   0.0000  2029.94  175.239  ?   ?  0.000000 175.2386 
1 1 1  -25   16   21 o  887.236  130.182   12.820   3.5091   14.640   4.3178   9.2777   6.0223  943.534  151.256  744.906  232.682 198.6276 277.5240 
1 1 1  -25   16   23 o  1313.20  107.880   27.566   4.3968   21.346   5.4169   39.576   7.5271  1141.02  155.678  1559.29  156.268 -418.2639 220.5799 
1 1 1  -25   16   25 o  2406.23  102.588   91.920   7.7295   91.610   9.4486   92.546   13.439  2390.40  126.687  2373.29  182.237 17.11133 221.9456 
1 1 1  -25   16   27 o  895.630  128.380   13.101   3.4974   15.535   4.2713   8.1481   6.0922  971.755  144.796  704.104  235.270 267.6513 276.2570 
1 1 1  -25   16   29 o  3637.23  150.247  214.842   17.112  234.130   24.284  195.819   24.117  3730.67  208.715  3387.59  228.697 343.0864 309.6189 
1 1 1  -25   16   31 o  1990.93  126.572   64.216   7.8496   60.156   10.996   68.434   11.209  1888.85  188.435  2022.54  178.834 -133.6904 259.7869 
1 1 1  -25   16   33 o  1320.66  137.510   28.804   5.6031   33.026   7.8818   24.491   7.9668  1386.73  186.221  1167.22  226.145 219.5138 292.9505 
1 1 1  -25   16   35 o  331.416  148.721  -1.0623   3.2045  -0.6082   3.9895  -1.8878   5.3794  381.966  168.994  417.619  189.545 -35.65295 253.9412 
1 1 1  -25   16   37 o  1115.07  119.785   20.731   4.1168   22.875   4.8614   15.294   7.7404  1161.89  136.207  861.153  262.938 300.7408 296.1234 
1 1 1  -25   16   39 o  529.446  172.616   5.0395   3.2865   2.9504   3.9261   9.9301   6.0072  462.438  182.934  699.003  233.622 -236.5644 296.7223 
1 1 1  -25   16   41 o  945.763  148.037   16.016   4.2402   9.3508   5.1200   30.569   7.5653  672.812  215.103  1254.20  199.306 -581.3878 293.2438 
1 1 1  -25   16   43 o  1248.57  155.962   28.814   5.9645   27.750   8.1175   30.062   8.7930  1117.20  239.261  1144.39  252.185 -27.19629 347.6245 
1 1 1  -25   16   45 o  405.324  170.225   2.1226   3.6556   1.7012   4.5060   2.9338   6.2522  416.182  182.013  473.571  210.439 -57.38879 278.2325 
1 1 1  -25   16   47 o  744.240  176.512   11.740   4.0512   11.909   4.7353   11.278   7.8245  714.657  202.413  603.008  250.821 111.6482 322.3078 
1 1 1  -25   16   49 o  407.605  170.425   3.0882   3.6391   0.8420   4.3036   8.7248   6.8172  368.299  168.074  529.150  227.678 -160.8515 282.9951 
1 1 1  -25   17    2 o  559.459  158.808   5.1346   2.9115   6.1804   3.5507   2.9886   5.0864  612.901  175.848  535.852  209.360 77.04852 273.4119 
1 1 1  -25   17    4 o  408.667  177.445  -0.5088   4.2173   5.8897   5.4226 -10.3036   6.7092  632.272  221.640  382.229  184.698 250.0430 288.5097 
1 1 1  -25   17    6 o  968.840  127.395   15.143   3.7711   14.907   4.4160   15.777   7.2471  955.175  152.799  962.198  241.043 -7.022766 285.3938 
1 1 1  -25   17    8 o  506.441  170.999   3.8643   3.2186   6.4953   3.6311  -5.7821   6.9529  627.064  177.127  444.047  206.536 183.0169 272.0864 
1 1 1  -25   17   10 o  499.737  169.417   3.7461   3.1595   4.3746   3.6526   1.8786   6.2965  538.065  182.161  549.846  226.522 -11.78168 290.6800 
1 1 1  -25   17   12 o  423.682  169.710   1.4730   3.4200   4.8614   4.1422  -5.7849   6.0622  567.967  193.975  405.181  189.893 162.7860 271.4512 
1 1 1  -25   17   14 o  1359.93  132.926   29.694   5.5880   32.509   7.5287   26.240   8.3384  1411.61  174.012  1250.44  221.048 161.1665 281.3222 
1 1 1  -25   17   16 o  1211.85  133.198   23.649   4.9709   24.332   6.5462   22.719   7.6398  1216.99  176.969  1161.75  218.023 55.24109 280.8063 
1 1 1  -25   17   18 o  917.917  201.393   14.217   5.6294   14.217   5.6294   0.0000   0.0000  917.917  201.393  ?   ?  0.000000 201.3927 
1 1 1  -25   17   20 o  1203.67  137.225   23.411   5.0795   28.476   6.7050   16.589   7.7817  1320.27  165.848  979.000  252.273 341.2720 301.9064 
1 1 1  -25   17   22 o  798.543  166.367   10.648   4.0249   5.3750   5.3003   17.831   6.1859  609.330  218.569  1029.01  199.185 -419.6758 295.7147 
1 1 1  -25   17   24 o  972.357  152.650   15.555   4.4946   15.330   6.0967   15.823   6.6524  947.282  210.955  958.365  225.452 -11.08356 308.7563 
1 1 1  -25   17   26 o  1526.74  185.247   38.664   8.6745   0.0000   0.0000   38.664   8.6745  ?   ?   1526.74  185.247 0.000000 185.2468 
1 1 1  -25   17   28 o  1968.47  180.120   64.180   10.979   0.0000   0.0000   64.180   10.979  ?   ?   1968.47  180.120 0.000000 180.1203 
1 1 1  -25   17   30 o  465.997  178.952   2.6345   3.6680   3.7490   4.8532   1.1498   5.6017  538.757  206.092  496.486  209.731 42.27087 294.0419 
1 1 1  -25   17   32 o  1898.94  128.529   58.854   7.5974   59.228   10.373   58.420   11.158  1869.80  179.379  1843.42  196.329 26.37976 265.9359 
1 1 1  -25   17   34 o  1410.32  136.383   33.061   5.9476   33.979   7.9490   31.894   8.9646  1396.32  186.465  1323.61  224.309 72.71301 291.6906 
1 1 1  -25   17   36 o  654.453  197.232   7.8382   4.3761   12.119   5.5637   0.8939   7.0864  800.255  216.699  517.276  227.187 282.9782 313.9624 
1 1 1  -25   17   38 o  1400.84  146.824   33.849   6.3445   28.948   8.6861   39.454   9.2891  1209.90  237.755  1447.05  211.235 -237.1448 318.0375 
1 1 1  -25   17   40 o  773.169  166.039   10.988   3.8997   7.2033   4.5384   21.669   7.6238  609.952  203.041  1016.30  242.879 -406.3526 316.5689 
1 1 1  -25   17   42 o  319.461  148.224  -1.9009   3.5468  -1.4296   4.1865  -3.0995   6.6760  356.714  163.896  417.524  196.800 -60.81033 256.1100 
1 1 1  -25   17   44 o  456.930  192.704   2.9081   4.7166   4.8468   6.1781   0.1994   7.3027  521.935  220.356  462.329  213.867 59.60553 307.0764 
1 1 1  -25   17   46 o  1130.95  142.728   23.876   4.9419   21.814   5.8846   28.812   9.1027  1019.43  191.378  1020.38  277.544 -0.9479370 337.1300 
1 1 1  -25   17   48 o  1072.74  147.192   22.442   4.8139   18.698   5.6578   32.259   9.1615  895.185  206.109  1037.99  276.801 -142.8020 345.1082 
1 1 1  -25   18    1 o  557.879  168.771   5.0230   3.1998   4.5064   3.5001   7.6509   7.8947  540.773  178.228  733.990  266.284 -193.2174 320.4250 
1 1 1  -25   18    3 o  560.490  182.661   4.8920   3.6803   4.8920   3.6803   0.0000   0.0000  560.490  182.661  ?   ?  0.000000 182.6613 
1 1 1  -25   18    5 o  689.955  213.583   7.7270   5.0871   0.1728   6.3891   20.811   8.4085  518.652  221.711  1106.72  248.699 -588.0681 333.1775 
1 1 1  -25   18    7 o  924.187  140.148   13.868   3.9285   15.353   4.4593   8.7213   8.3020  970.674  151.679  768.519  273.771 202.1555 312.9808 
1 1 1  -25   18    9 o  640.811  174.478   6.7986   3.5952   5.3022   3.9833   13.376   8.3510  582.629  190.040  893.350  273.174 -310.7208 332.7749 
1 1 1  -25   18   11 o  693.742  165.460   8.0015   3.5438   9.7982   3.9670   0.9029   7.8852  767.850  169.528  585.397  248.145 182.4529 300.5256 
1 1 1  -25   18   13 o  755.696  165.679   9.4854   3.8123   13.932   4.3538  -5.1294   7.8933  922.000  156.397  490.496  225.247 431.5042 274.2195 
1 1 1  -25   18   15 o  1351.44  134.356   29.312   5.6102   28.995   7.1406   29.822   9.0685  1332.79  175.359  1335.39  224.866 -2.598389 285.1584 
1 1 1  -25   18   17 o  744.365  176.348   9.2631   4.0472   9.2631   4.0472   0.0000   0.0000  744.365  176.348  ?   ?  0.000000 176.3478 
1 1 1  -25   18   19 o  827.244  147.305   11.246   3.6758   11.057   4.2643   11.791   7.2512  814.257  172.610  836.390  254.297 -22.13275 307.3452 
1 1 1  -25   18   21 o  1183.28  120.106   22.468   4.3884   22.302   5.2345   22.861   8.0505  1172.21  145.757  1159.17  229.917 13.04224 272.2261 
1 1 1  -25   18   23 o  426.949  196.823  -4.2213   6.1070   0.0000   0.0000  -4.2213   6.1070  ?   ?   426.949  196.823 0.000000 196.8233 
1 1 1  -25   18   25 o  1920.44  191.036   60.989   11.335   0.0000   0.0000   60.989   11.335  ?   ?   1920.44  191.036 0.000000 191.0364 
1 1 1  -25   18   27 o  585.083  194.637   5.4773   4.1708   12.114   5.7427  -1.9307   6.0673  834.532  217.540  458.134  205.178 376.3987 299.0351 
1 1 1  -25   18   29 o  632.338  191.445   6.7881   4.1161   6.1462   5.1956   7.8699   6.7452  621.670  217.006  696.504  246.914 -74.83374 328.7218 
1 1 1  -25   18   31 o  1195.09  144.289   23.690   5.2902   20.789   6.8334   28.030   8.3576  1086.73  208.399  1258.54  220.093 -171.8142 303.1027 
1 1 1  -25   18   33 o  1163.75  150.529   22.810   5.3567   21.397   7.4373   24.333   7.7217  1080.89  226.970  1158.87  220.856 -77.98608 316.6906 
1 1 1  -25   18   35 f  867.305  192.041   13.598   5.0777   10.094   6.7495   18.168   7.7073  730.263  247.619  962.891  252.514 -232.6282 353.6642 
1 1 1  -25   18   37 o  435.739  181.099   1.6559   4.0743   2.4844   4.9906  -0.0001   7.0552  486.428  201.154  496.855  221.976 -10.42688 299.5599 
1 1 1  -25   18   39 o  933.903  195.344   16.448   5.5288   21.132   7.2456   9.9204   8.5539  1028.42  230.686  695.427  271.557 332.9875 356.3136 
1 1 1  -25   18   41 f  434.325  183.129   1.8258   4.2580  -1.6023   5.1472   9.2579   7.5788  394.967  181.568  659.364  256.126 -264.3977 313.9548 
1 1 1  -25   18   43 o  806.682  212.916   13.692   5.4568   12.378   7.0796   15.616   8.5649  720.226  253.206  774.816  277.853 -54.58972 375.9192 
1 1 1  -25   18   45 o  383.753  175.718  -0.5535   4.7561  -4.9684   6.0337   6.6915   7.7293  365.000  176.070  562.138  242.150 -197.1385 299.3949 
1 1 1  -25   18   47 o  571.682  214.343   7.8880   5.1874   8.0868   6.5444   7.5521   8.5084  563.520  231.403  548.399  244.475 15.12067 336.6234 
1 1 1  -25   19    2 o  1216.39  140.947   23.811   5.2689   23.811   5.2689   0.0000   0.0000  1216.39  140.947  ?   ?  0.000000 140.9468 
1 1 1  -25   19    4 o  1475.35  130.941   34.771   5.9862   34.771   5.9862   0.0000   0.0000  1475.35  130.941  ?   ?  0.000000 130.9408 
1 1 1  -25   19    6 o  938.115  248.112   14.915   7.4002   14.915   7.4002   0.0000   0.0000  938.115  248.112  ?   ?  0.000000 248.1122 
1 1 1  -25   19    8 o  876.016  158.637   12.597   4.1912   11.455   4.5901   18.323   10.280  829.834  181.687  1034.20  299.925 -204.3702 350.6641 
1 1 1  -25   19   10 o  1003.53  140.166   16.296   4.2842   17.515   4.6814   10.014   10.628  1039.20  148.052  838.397  308.232 200.8085 341.9451 
1 1 1  -25   19   12 o  623.571  193.845   6.2572   4.1854   6.2572   4.1854   0.0000   0.0000  623.571  193.845  ?   ?  0.000000 193.8454 
1 1 1  -25   19   14 f  1178.46  143.742   22.418   5.1942   22.418   5.1942   0.0000   0.0000  1178.46  143.742  ?   ?  0.000000 143.7415 
1 1 1  -25   19   16 o  1363.98  119.205   29.700   5.0401   31.259   5.7474   24.511   10.486  1396.35  133.060  1188.21  285.421 208.1465 314.9129 
1 1 1  -25   19   18 o  291.091  137.897  -3.9256   3.3551  -2.2975   3.6931 -11.6166   8.0270  341.156  155.691  422.509  203.633 -81.35352 256.3319 
1 1 1  -25   19   20 o  354.061  166.171  -4.6145   4.6704 -10.5654   5.9460   4.9702   7.5462  345.105  168.396  655.711  255.333 -310.6055 305.8632 
1 1 1  -25   19   22 o  374.727  172.319  -3.1918   4.6412   0.9502   5.8814 -10.0292   7.5564  510.928  215.316  417.432  200.272 93.49622 294.0573 
1 1 1  -25   19   24 o  1095.81  154.470   19.727   5.1532   19.792   6.5652   19.624   8.3170  1081.03  201.361  1056.42  254.456 24.61670 324.4906 
1 1 1  -25   19   26 o  683.612  170.598   7.9311   3.6401   7.1244   4.1856   10.435   7.3740  649.624  192.242  782.778  258.728 -133.1534 322.3307 
1 1 1  -25   19   28 o  1000.47  133.403   16.432   4.0750   16.470   4.7648   16.329   7.8632  992.525  158.660  948.254  257.970 44.27136 302.8551 
1 1 1  -25   19   30 o  839.677  150.572   11.878   3.8135   11.143   4.4143   14.042   7.5710  801.902  180.195  872.334  258.645 -70.43170 315.2259 
1 1 1  -25   19   32 o  483.792  180.433   3.2928   3.6664   2.7197   4.2745   4.8881   7.1318  483.737  191.030  613.713  245.339 -129.9760 310.9401 
1 1 1  -25   19   34 o  468.685  179.136   2.9598   3.6647   6.9687   4.2631  -8.3890   7.1728  627.139  195.750  403.027  193.816 224.1125 275.4677 
1 1 1  -25   19   36 o  494.058  196.737   3.0773   4.5688   1.5544   5.8330   5.4946   7.3490  494.152  211.556  613.150  247.653 -118.9984 325.7116 
1 1 1  -25   19   38 o  652.122  212.869   8.0489   4.9974   11.049   6.4093   3.3971   7.9813  742.332  241.011  572.048  246.244 170.2836 344.5608 
1 1 1  -25   19   40 o  650.749  205.391   8.2350   4.6796   6.0940   5.6956   12.683   8.2095  583.123  223.216  754.757  271.882 -171.6340 351.7744 
1 1 1  -25   19   42 f  994.989  189.908   19.026   5.7008   19.541   7.3329   18.239   9.0637  947.083  245.309  853.951  286.959 93.13184 377.5210 
1 1 1  -25   19   44 o  1000.36  198.043   20.179   5.9840   12.587   7.6979   31.772   9.5124  707.884  261.952  1156.10  267.996 -448.2175 374.7544 
1 1 1  -25   19   46 o  485.005  202.132   4.1531   5.0957   3.7075   6.2651   5.0239   8.7586  489.898  214.427  534.341  242.265 -44.44247 323.5293 
1 1 1  -25   20    1 o  1446.05  140.545   33.559   6.2834   33.559   6.2834   0.0000   0.0000  1446.05  140.545  ?   ?  0.000000 140.5447 
1 1 1  -25   20    3 f  514.152  192.340   3.2791   4.1725   3.2791   4.1725   0.0000   0.0000  514.152  192.340  ?   ?  0.000000 192.3404 
1 1 1  -25   20    5 f  452.304  183.294   1.4626   4.0401   1.4626   4.0401   0.0000   0.0000  452.304  183.294  ?   ?  0.000000 183.2935 
1 1 1  -25   20    7 o  1067.25  148.663   18.460   4.8332   18.460   4.8332   0.0000   0.0000  1067.25  148.663  ?   ?  0.000000 148.6632 
1 1 1  -25   20    9 o  826.168  181.655   11.362   4.5713   11.362   4.5713   0.0000   0.0000  826.168  181.655  ?   ?  0.000000 181.6546 
1 1 1  -25   20   11 f  708.177  184.029   8.3565   4.1181   8.3565   4.1181   0.0000   0.0000  708.177  184.029  ?   ?  0.000000 184.0288 
1 1 1  -25   20   13 o  645.557  189.245   6.8466   4.0730   6.8466   4.0730   0.0000   0.0000  645.557  189.245  ?   ?  0.000000 189.2451 
1 1 1  -25   20   15 o  657.199  224.976   6.5928   5.5721   4.8161   7.0636   9.5199   9.0664  642.368  247.893  797.927  285.900 -155.5584 378.4048 
1 1 1  -25   20   17 o  408.151  193.789  -7.7661   6.6990  -7.7661   6.6990   0.0000   0.0000  408.151  193.789  ?   ?  0.000000 193.7890 
1 1 1  -25   20   19 o  997.827  192.921   16.684   5.8097   15.859   7.6544   17.806   8.9229  957.812  251.867  1009.85  274.837 -52.03387 372.7901 
1 1 1  -25   20   21 o  357.356  160.087  -1.4794   3.6962  -0.6549   4.1021  -5.0384   8.5230  397.395  173.734  510.102  234.180 -112.7070 291.5882 
1 1 1  -25   20   23 o  786.642  197.470   10.571   4.8567   11.210   5.7577   8.9928   9.0424  806.690  221.282  770.899  284.172 35.79004 360.1659 
1 1 1  -25   20   25 o  352.526  156.225  -0.9504   3.4231  -1.3235   3.8342   0.5151   7.5993  366.489  163.693  556.449  239.901 -189.9599 290.4273 
1 1 1  -25   20   27 f  963.262  150.997   15.428   4.4047   11.818   5.0383   27.134   9.0727  825.475  197.558  1237.19  242.867 -411.7202 313.0710 
1 1 1  -25   20   29 o  1501.91  113.216   36.433   5.2852   35.678   6.2572   38.313   9.8736  1475.83  136.963  1481.61  219.464 -5.777710 258.6948 
1 1 1  -25   20   31 o  536.232  185.383   4.5852   3.7873   4.3841   4.2355   5.3872   8.4592  538.147  195.072  655.086  265.312 -116.9385 329.3077 
1 1 1  -25   20   33 o  1671.97  114.047   45.513   5.9351   50.457   7.0864   33.895   10.863  1750.84  130.190  1330.56  269.960 420.2800 299.7128 
1 1 1  -25   20   35 o  554.150  188.219   5.1974   3.8998   7.8696   4.4669  -3.3681   7.9973  659.938  199.354  486.131  224.501 173.8069 300.2374 
1 1 1  -25   20   37 o  748.446  183.157   10.194   4.2574   9.9539   4.9184   10.913   8.5027  728.672  206.258  743.187  275.248 -14.51520 343.9532 
1 1 1  -25   20   39 o  718.551  183.420   9.5767   4.1409   13.139   4.7278  -2.1595   8.5813  844.305  184.026  501.931  232.062 342.3739 296.1734 
1 1 1  -25   20   41 o  402.098  174.626   0.6244   4.0859  -1.1580   4.5870   7.4715   8.9902  384.536  174.721  639.034  267.586 -254.4987 319.5776 
1 1 1  -25   20   43 o  836.561  178.591   13.368   4.5358   14.085   5.1894   11.047   9.3362  839.500  200.223  681.732  277.754 157.7671 342.3977 
1 1 1  -25   21    2 o  510.739  185.335   3.5313   3.8247   4.9734   4.0748  -7.1452   11.088  570.967  192.404  575.840  265.370 -4.873108 327.7814 
1 1 1  -25   21    4 o  794.262  184.549   10.550   4.5023   6.7736   4.9027   30.878   11.375  652.380  210.691  1339.00  280.300 -686.6240 350.6545 
1 1 1  -25   21    6 f  943.059  168.466   14.653   4.7922   16.662   5.1983   3.2811   12.366  1006.43  171.077  749.362  313.814 257.0711 357.4166 
1 1 1  -25   21    8 o  501.407  185.473   3.2315   3.8584   4.9989   4.1531  -7.9097   10.428  574.016  194.241  547.063  253.942 26.95313 319.7127 
1 1 1  -25   21   10 o  802.400  180.500   10.749   4.4253   10.749   4.4253   0.0000   0.0000  802.400  180.500  ?   ?  0.000000 180.5004 
1 1 1  -25   21   12 o  632.102  245.887   4.4788   6.9926   4.4788   6.9926   0.0000   0.0000  632.102  245.887  ?   ?  0.000000 245.8867 
1 1 1  -25   21   14 o  1006.57  257.922   17.459   8.1661   17.459   8.1661   0.0000   0.0000  1006.57  257.922  ?   ?  0.000000 257.9224 
1 1 1  -25   21   16 o  596.255  241.315   3.0210   6.9929   3.0210   6.9929   0.0000   0.0000  596.255  241.315  ?   ?  0.000000 241.3149 
1 1 1  -25   21   18 o  528.924  190.222   3.9297   4.0171   3.9297   4.0171   0.0000   0.0000  528.924  190.222  ?   ?  0.000000 190.2217 
1 1 1  -25   21   20 o  413.263  179.443  -0.4092   4.3129  -0.4092   4.3129   0.0000   0.0000  413.263  179.443  ?   ?  0.000000 179.4432 
1 1 1  -25   21   22 o  1838.80  185.610   55.846   10.541   55.846   10.541   0.0000   0.0000  1838.80  185.610  ?   ?  0.000000 185.6102 
1 1 1  -25   21   24 o  1161.11  152.031   22.166   5.3946   22.166   5.3946   0.0000   0.0000  1161.11  152.031  ?   ?  0.000000 152.0315 
1 1 1  -25   21   26 o  530.439  182.942   4.3373   3.6872   0.5682   4.1067   20.010   8.3741  423.998  179.367  1054.62  256.135 -630.6206 312.6943 
1 1 1  -25   21   28 o  849.065  172.597   12.299   4.4324   14.106   5.0000   5.6693   9.5776  906.950  182.385  693.911  281.860 213.0391 335.7221 
1 1 1  -25   21   30 o  1140.37  143.291   21.551   5.0036   20.901   5.7430   23.597   10.194  1110.46  170.625  1109.74  290.110 0.7160645 336.5662 
1 1 1  -25   21   32 o  1388.13  126.688   31.597   5.4459   25.972   6.4139   46.128   10.309  1235.19  170.367  1622.89  207.628 -387.7029 268.5781 
1 1 1  -25   21   34 o  1159.42  142.011   22.522   5.0478   18.704   5.8858   33.143   9.8155  1029.61  189.548  1334.36  243.910 -304.7535 308.9020 
1 1 1  -25   21   36 o  791.048  184.818   11.252   4.4953   14.870   5.1569  -0.1969   9.1737  911.118  187.025  558.781  251.126 352.3377 313.1176 
1 1 1  -25   21   38 o  792.336  187.739   11.505   4.5864   6.5666   5.2749   26.806   9.2846  608.711  218.078  1150.74  263.367 -542.0292 341.9360 
1 1 1  -25   21   40 o  1097.63  149.300   20.993   4.9982   19.462   5.7658   25.621   10.026  1029.02  185.781  1068.68  291.526 -39.66809 345.6909 
1 1 1  -25   21   42 o  746.461  191.750   10.777   4.5056   8.8194   5.0928   17.826   9.6653  662.148  214.831  846.826  295.958 -184.6786 365.7092 
1 1 1  -25   22    1 o  676.171  195.461   7.5900   4.3722   6.1325   4.6798   17.595   12.261  624.608  206.097  1013.86  333.552 -389.2570 392.0877 
1 1 1  -25   22    3 o  786.756  190.797   10.398   4.6519   9.3611   4.9868   17.349   12.912  746.972  206.366  1013.88  342.494 -266.9047 399.8612 
1 1 1  -25   22    5 o  704.978  206.755   8.2451   4.8606   8.2451   4.8606   0.0000   0.0000  704.978  206.755  ?   ?  0.000000 206.7552 
1 1 1  -25   22    7 o  668.341  198.290   7.3627   4.4488   10.916   4.8252 -12.7830   11.490  806.007  193.611  532.807  253.214 273.1999 318.7516 
1 1 1  -25   22    9 o  1280.47  199.980   27.160   7.7560   29.442   10.007   23.727   12.273  1314.98  252.220  1157.55  325.182 157.4266 411.5320 
1 1 1  -25   22   11 o  1021.70  214.513   17.620   6.6441   12.200   8.2469   27.645   11.216  855.461  272.944  1257.84  290.607 -402.3792 398.6870 
1 1 1  -25   22   13 o  965.732  229.130   15.916   6.8244   17.602   8.3633   12.556   11.806  1008.54  262.343  899.769  325.750 108.7680 418.2545 
1 1 1  -25   22   15 o  454.417  186.358   1.3060   4.2376   1.3060   4.2376   0.0000   0.0000  454.417  186.358  ?   ?  0.000000 186.3581 
1 1 1  -25   22   17 o  424.076  178.312   0.5697   4.0189   1.1600   4.3493  -2.8789   10.512  454.664  187.883  604.185  270.368 -149.5211 329.2396 
1 1 1  -25   22   19 o  863.244  194.686   12.635   5.1370   12.635   5.1370   0.0000   0.0000  863.244  194.686  ?   ?  0.000000 194.6861 
1 1 1  -25   22   21 o  572.012  222.542   3.7810   5.7285   3.7810   5.7285   0.0000   0.0000  572.012  222.542  ?   ?  0.000000 222.5422 
1 1 1  -25   22   23 o  1185.47  158.067   23.138   5.7212   23.138   5.7212   0.0000   0.0000  1185.47  158.067  ?   ?  0.000000 158.0672 
1 1 1  -25   22   25 o  682.234  208.760   7.8858   4.8760   7.8858   4.8760   0.0000   0.0000  682.234  208.760  ?   ?  0.000000 208.7600 
1 1 1  -25   22   27 o  726.226  210.547   9.1393   5.0665   9.1393   5.0665   0.0000   0.0000  726.226  210.547  ?   ?  0.000000 210.5468 
1 1 1  -25   22   29 o  918.465  193.929   14.633   5.4022   14.633   5.4022   0.0000   0.0000  918.465  193.929  ?   ?  0.000000 193.9289 
1 1 1  -25   22   31 o  409.285  180.411  -0.6718   4.5058  -0.6718   4.5058   0.0000   0.0000  409.285  180.411  ?   ?  0.000000 180.4114 
1 1 1  -25   22   33 o  482.794  199.470   1.9131   4.9010   1.9131   4.9010   0.0000   0.0000  482.794  199.470  ?   ?  0.000000 199.4697 
1 1 1  -25   22   35 o  1059.65  163.225   19.266   5.2420   22.595   5.9274   7.3174   11.230  1144.67  170.584  719.643  300.007 425.0232 345.1130 
1 1 1  -25   22   37 o  394.055  171.907  -0.0118   3.9973   2.9636   4.3288 -17.2381   10.416  485.655  192.095  432.809  213.518 52.84674 287.2118 
1 1 1  -25   22   39 o  986.841  175.919   17.430   5.2366   16.621   5.9055   20.405   11.328  941.777  205.994  933.113  320.724 8.663879 381.1787 
1 1 1  -25   23    2 o  568.296  200.791   4.6711   4.4570   5.7919   4.8334  -1.6959   11.520  615.530  209.539  653.078  288.145 -37.54779 356.2784 
1 1 1  -25   23    4 o  336.801  156.216  -3.2620   3.9347  -2.2116   4.1911 -11.0674   11.425  370.426  167.799  545.842  257.333 -175.4160 307.2082 
1 1 1  -25   23    6 o  517.729  224.410  -0.4330   6.7218  -3.7575   8.1657   6.5547   11.838  518.156  234.514  787.953  315.703 -269.7969 393.2746 
1 1 1  -25   23    8 o  1052.36  242.164   18.940   7.8141   20.411   9.8901   16.496   12.747  1081.70  287.189  994.055  340.281 87.64545 445.2736 
1 1 1  -25   23   10 o  916.089  176.025   13.941   4.8658   14.622   5.2820   10.126   12.506  935.858  186.791  863.459  330.709 72.39948 379.8152 
1 1 1  -25   23   12 o  558.779  197.352   4.5204   4.3052   4.9415   4.6356   1.8776   11.612  581.526  204.849  704.860  300.040 -123.3344 363.3002 
1 1 1  -25   23   14 o  431.145  183.011   0.3126   4.2985   0.3126   4.2985   0.0000   0.0000  431.145  183.011  ?   ?  0.000000 183.0112 
1 1 1  -25   23   16 o  559.397  197.519   4.5615   4.3123   4.4818   4.6267   5.0890   11.900  564.725  204.008  758.715  311.857 -193.9898 372.6582 
1 1 1  -25   23   18 o  583.632  202.841   5.1228   4.5371   6.1518   5.0235   0.5672   10.569  628.734  213.622  653.052  282.234 -24.31793 353.9636 
1 1 1  -25   23   20 f  637.627  219.477   6.3046   5.3057   4.1512   6.0134   13.872   11.273  590.982  228.539  910.769  319.547 -319.7874 392.8618 
1 1 1  -25   23   22 o  351.641  161.340  -2.6547   4.0376  -3.9209   4.3596   4.9775   10.704  346.982  162.107  721.954  296.138 -374.9723 337.6044 
1 1 1  -25   23   24 o  354.286  163.046  -2.8521   4.1662  -1.1621   4.6181 -10.2421   9.6568  409.666  181.506  487.690  231.881 -78.02374 294.4708 
1 1 1  -25   23   26 o  751.511  198.067   9.7353   4.7266   7.5345   5.2292   19.562   11.049  672.102  217.650  1024.79  314.369 -352.6918 382.3601 
1 1 1  -25   23   28 o  335.775  159.463  -5.1541   4.5412  -5.1541   4.5412   0.0000   0.0000  335.775  159.463  ?   ?  0.000000 159.4633 
1 1 1  -25   23   30 o  727.542  212.691   9.2749   5.1510   9.2749   5.1510   0.0000   0.0000  727.542  212.691  ?   ?  0.000000 212.6913 
1 1 1  -25   23   32 f  924.424  197.768   15.005   5.5515   15.005   5.5515   0.0000   0.0000  924.424  197.768  ?   ?  0.000000 197.7677 
1 1 1  -25   23   34 o  1197.83  162.163   24.319   5.9259   24.319   5.9259   0.0000   0.0000  1197.83  162.163  ?   ?  0.000000 162.1627 
1 1 1  -25   23   36 o  622.468  220.129   6.6007   5.3580   6.6007   5.3580   0.0000   0.0000  622.468  220.129  ?   ?  0.000000 220.1287 
1 1 1  -25   24    1 o  487.506  196.438   1.9100   4.6118   0.9637   4.8606   10.452   14.603  472.964  197.289  903.531  354.264 -430.5666 405.4942 
1 1 1  -25   24    3 o  1061.31  276.184   19.529   9.2665   13.464   11.779   29.381   15.011  921.714  326.336  1275.45  360.090 -353.7352 485.9626 
1 1 1  -25   24    5 o  492.608  226.247  -5.1144   7.9671  -1.7561   10.210 -10.3419   12.739  614.932  271.294  592.824  277.011 22.10742 387.7316 
1 1 1  -25   24    7 o  677.160  206.290   7.5198   4.7684   5.2916   5.1417   21.214   12.746  606.050  215.499  1099.15  337.726 -493.0996 400.6229 
1 1 1  -25   24    9 o  733.604  264.101   7.8816   7.7452   4.1520   9.5186   15.189   13.324  691.379  280.929  973.042  346.806 -281.6626 446.3131 
1 1 1  -25   24   11 o  415.705  179.538  -0.2953   4.2714   1.2742   4.5153 -13.6585   13.175  466.158  191.908  575.303  272.748 -109.1455 333.4970 
1 1 1  -25   24   13 o  1426.88  152.016   32.931   6.6873   32.931   6.6873   0.0000   0.0000  1426.88  152.016  ?   ?  0.000000 152.0155 
1 1 1  -25   24   15 o  601.735  205.212   5.5382   4.6359   6.0118   4.9186   1.7695   13.875  623.711  211.382  755.701  324.981 -131.9902 387.6794 
1 1 1  -25   24   17 o  619.646  204.023   6.0825   4.5870   5.8829   4.9450   7.3136   12.279  619.010  211.939  803.586  321.680 -184.5768 385.2219 
1 1 1  -25   24   19 f  964.563  196.736   15.702   5.7406   15.702   5.7406   0.0000   0.0000  964.563  196.736  ?   ?  0.000000 196.7360 
1 1 1  -25   24   21 o  428.918  180.859   0.5496   4.1534   2.3095   4.4077 -13.3990   12.409  488.118  193.594  548.929  261.520 -60.81021 325.3790 
1 1 1  -25   24   23 o  985.879  182.302   16.331   5.4204   13.942   5.9867   27.195   12.768  899.492  215.403  1211.28  328.390 -311.7859 392.7321 
1 1 1  -25   24   25 o  576.285  208.415   4.8172   4.8306   3.7423   5.3301   9.7601   11.430  557.209  215.252  818.106  315.441 -260.8967 381.8851 
1 1 1  -25   24   27 o  739.756  209.143   9.4425   5.0601   2.8244   5.5827   39.913   11.979  538.668  216.453  1499.09  264.882 -960.4238 342.0735 
1 1 1  -25   24   29 o  596.326  208.941   5.5543   4.8187   6.9253   5.2818  -1.2527   11.769  649.459  219.053  641.610  286.669 7.848755 360.7811 
1 1 1  -25   24   31 o  499.487  205.065   2.0391   5.1380   2.0391   5.1380   0.0000   0.0000  499.487  205.065  ?   ?  0.000000 205.0646 
1 1 1  -25   24   33 o  480.954  199.327   1.7213   4.9159   4.4397   5.4072 -11.2316   11.803  568.094  217.484  529.490  253.031 38.60400 333.6522 
1 1 1  -25   25    2 o  628.069  273.223  -0.5364   10.036   3.4942   12.443  -8.0383   16.976  753.142  315.041  726.326  332.359 26.81573 457.9452 
1 1 1  -25   25    4 o  399.743  177.669  -1.4620   4.4589  -2.8846   4.6721   13.069   14.931  383.302  174.999  955.922  362.488 -572.6198 402.5195 
1 1 1  -25   25    6 o  982.637  188.548   16.059   5.5904   12.941   5.9459   39.819   16.414  874.792  217.885  1488.98  356.743 -614.1918 418.0179 
1 1 1  -25   25    8 o  538.523  203.960   3.5028   4.7235   4.7905   5.0075  -6.8936   14.229  587.101  212.216  668.850  305.378 -81.74860 371.8749 
1 1 1  -25   25   10 o  697.054  276.184   5.1068   8.9622   8.4994   11.109  -1.2167   15.167  810.833  311.418  753.585  331.638 57.24805 454.9335 
1 1 1  -25   25   12 o  632.834  221.337   5.9510   5.4063   5.9510   5.4063   0.0000   0.0000  632.834  221.337  ?   ?  0.000000 221.3370 
1 1 1  -25   25   14 o  474.544  195.014   1.3776   4.6523   1.0676   4.9327   3.8752   14.000  478.276  199.061  790.265  332.569 -311.9883 387.5923 
1 1 1  -25   25   16 o  464.395  220.034  -9.2946   8.5493  -9.2946   8.5493   0.0000   0.0000  464.395  220.034  ?   ?  0.000000 220.0337 
1 1 1  -25   25   18 o  568.461  211.399   4.2500   5.0257   6.2247   5.3596 -10.1302   14.463  638.642  220.547  638.383  297.245 0.2586060 370.1296 
1 1 1  -25   25   20 o  302.075  147.217  -7.9201   4.5045  -7.4217   4.7666 -12.0829   13.775  321.262  155.348  600.898  283.070 -279.6359 322.8959 
1 1 1  -25   25   22 o  635.521  213.226   6.3879   5.0043   8.8776   5.3737  -9.8750   13.734  726.446  218.477  616.917  288.053 109.5293 361.5342 
1 1 1  -25   25   24 o  435.985  192.003  -0.9898   5.0918  -0.9898   5.0918   0.0000   0.0000  435.985  192.003  ?   ?  0.000000 192.0033 
1 1 1  -25   25   26 o  566.431  201.694   4.7452   4.5056   2.3782   5.1530   12.430   9.2846  514.821  207.573  852.792  290.417 -337.9718 356.9708 
1 1 1  -25   25   28 o  715.840  251.466   8.2651   6.9820  -5.4707   9.3755   25.368   10.462  526.828  243.218  1177.16  286.523 -650.3291 375.8334 
1 1 1  -25   25   30 o  777.019  261.966   10.416   7.5539   8.2066   9.4672   14.287   12.532  745.933  287.231  902.213  334.155 -156.2806 440.6376 
1 1 1  -25   26    1 o  543.355  208.369   3.3816   4.9688   1.4281   5.2414   20.704   15.608  500.792  206.536  1104.61  376.542 -603.8187 429.4662 
1 1 1  -25   26    3 o  652.347  225.677   6.3846   5.6130   7.5289   5.9302  -3.4648   17.398  694.166  232.119  783.201  349.338 -89.03442 419.4236 
1 1 1  -25   26    5 o  798.489  242.037   10.580   6.5762   10.580   6.5762   0.0000   0.0000  798.489  242.037  ?   ?  0.000000 242.0371 
1 1 1  -25   26    7 o  431.917  188.801  -0.8346   4.8430  -0.8346   4.8430   0.0000   0.0000  431.917  188.801  ?   ?  0.000000 188.8006 
1 1 1  -25   26    9 o  369.453  172.336  -4.4306   4.8967  -4.4306   4.8967   0.0000   0.0000  369.453  172.336  ?   ?  0.000000 172.3359 
1 1 1  -25   26   11 o  976.429  339.450   15.464   12.707   15.464   12.707   0.0000   0.0000  976.429  339.450  ?   ?  0.000000 339.4500 
1 1 1  -25   26   13 o  836.518  215.173   11.820   5.6682   10.397   6.2151   18.852   13.820  788.937  234.440  1053.65  354.334 -264.7105 424.8700 
1 1 1  -25   26   15 o  595.138  213.742   5.0096   5.0702   5.6272   5.4967   1.4873   13.127  624.682  222.741  738.620  316.824 -113.9384 387.2869 
1 1 1  -25   26   17 o  1009.49  261.364   17.616   8.3265   16.412   10.482   19.673   13.706  976.979  307.277  1064.69  352.778 -87.71118 467.8370 
1 1 1  -25   26   19 o  506.121  235.947  -7.4304   9.1571  -7.4304   9.1571   0.0000   0.0000  506.121  235.947  ?   ?  0.000000 235.9467 
1 1 1  -25   26   21 o  758.181  274.105   8.6268   8.3547   17.129   10.747  -4.3575   13.282  989.420  311.128  663.689  299.851 325.7310 432.1007 
1 1 1  -25   26   23 o  327.906  162.108 -13.2938   6.1166 -12.3727   8.9945 -14.0862   8.3425  448.795  216.119  410.552  200.141 38.24365 294.5569 
1 1 1  -25   26   25 o  552.708  228.856   2.0146   6.4718   14.315   9.3872  -9.1284   8.9346  906.201  291.421  476.116  225.398 430.0855 368.4161 
1 1 1  -25   27    2 o  1128.50  189.355   20.997   6.4541   16.446   6.9851   47.559   16.875  986.259  230.354  1647.19  338.498 -660.9287 409.4433 
1 1 1  -25   27    4 o  532.810  213.627   2.3983   5.4248   2.1263   5.7541   4.5732   16.270  537.833  218.468  855.672  359.229 -317.8387 420.4448 
1 1 1  -25   27    6 o  630.989  237.361   5.0117   6.3715   8.6428   6.9230 -15.0919   16.290  744.260  250.790  653.240  307.757 91.01953 397.0008 
1 1 1  -25   27    8 o  627.313  234.921   5.0195   6.2276   5.0195   6.2276   0.0000   0.0000  627.313  234.921  ?   ?  0.000000 234.9211 
1 1 1  -25   27   10 o  631.826  236.713   5.1021   6.3243   5.1021   6.3243   0.0000   0.0000  631.826  236.713  ?   ?  0.000000 236.7130 
1 1 1  -25   27   12 o  529.953  242.286  -5.2303   8.9945  -9.6868   12.364  -0.2206   13.109  590.200  274.816  718.928  312.504 -128.7280 416.1521 
1 1 1  -25   27   14 o  658.863  291.731  -2.3028   11.912  -2.3028   11.912   0.0000   0.0000  658.863  291.731  ?   ?  0.000000 291.7312 
1 1 1  -25   27   16 o  607.715  257.454   1.1583   8.4800   4.3708   11.505  -2.6633   12.548  744.713  306.428  670.609  298.054 74.10382 427.4743 
1 1 1  -25   27   18 o  871.174  331.707   10.492   12.536   0.0000   0.0000   10.492   12.536  ?   ?   871.174  331.707 0.000000 331.7068 
1 1 1  -25   27   20 o  938.055  275.301   15.179   8.6151   12.033   10.800   20.683   14.285  875.135  312.203  1085.32  360.174 -210.1883 476.6510 
1 1 1  -24    0    2 o  1180.45  116.869   22.710   4.2227   22.710   4.2227   22.710   4.2227  1180.45  116.869  1180.45  116.869 -0.000000 0.000000 
1 1 1  -24    0    4 o  1755.47  108.837   49.301   5.9299   49.301   5.9299   49.301   5.9299  1755.47  108.837  1755.47  108.837 -0.000000 0.000000 
1 1 1  -24    0    6 o  937.015  117.601   14.536   3.3031   14.536   3.3031   14.536   3.3031  937.015  117.601  937.015  117.601 -0.000000 0.000000 
1 1 1  -24    0    8 o  1627.39  110.123   42.462   5.5526   42.462   5.5526   42.462   5.5526  1627.39  110.123  1627.39  110.123 -0.000000 0.000000 
1 1 1  -24    0   10 o  2326.25  118.533   86.411   8.5829   86.411   8.5829   86.411   8.5829  2326.25  118.533  2326.25  118.533 -0.000000 0.000000 
1 1 1  -24    0   12 o  420.752  194.844   4.1570   2.8361   4.1570   2.8361   4.1570   2.8361  420.752  194.844  420.752  194.844 -0.000000 0.000000 
1 1 1  -24    0   14 o  1354.02  114.413   29.639   4.7712   29.639   4.7712   29.639   4.7712  1354.02  114.413  1354.02  114.413 -0.000000 0.000000 
1 1 1  -24    0   16 o  338.747  182.333   2.6527   2.6770   2.6527   2.6770   2.6527   2.6770  338.747  182.333  338.747  182.333 -0.000000 0.000000 
1 1 1  -24    0   18 o  197.891  139.684  -4.0447   3.4759  -4.0447   3.4759  -4.0447   3.4759  197.891  139.684  197.891  139.684 -0.000000 0.000000 
1 1 1  -24    0   20 o  1833.13  169.375   55.377   9.5313   55.377   9.5313   55.377   9.5313  1833.13  169.375  1833.13  169.375 -0.000000 0.000000 
1 1 1  -24    0   22 o  1868.81  175.773   57.811   10.077   57.811   10.077   57.811   10.077  1868.81  175.773  1868.81  175.773 -0.000000 0.000000 
1 1 1  -24    0   24 o  1117.13  184.460   21.681   5.9235   21.681   5.9235   21.681   5.9235  1117.13  184.460  1117.13  184.460 -0.000000 0.000000 
1 1 1  -24    0   26 o  1318.12  179.659   29.555   7.0254   29.555   7.0254   29.555   7.0254  1318.12  179.659  1318.12  179.659 -0.000000 0.000000 
1 1 1  -24    0   28 o  180.931  123.857  -1.3910   2.2271  -1.3910   2.2271  -1.3910   2.2271  180.931  123.857  180.931  123.857 -0.000000 0.000000 
1 1 1  -24    0   30 o  277.644  182.682  -0.5298   4.0342  -0.5298   4.0342  -0.5298   4.0342  277.644  182.682  277.644  182.682 -0.000000 0.000000 
1 1 1  -24    0   32 o  2407.13  121.294   92.622   9.0893   92.622   9.0893   92.622   9.0893  2407.13  121.294  2407.13  121.294 -0.000000 0.000000 
1 1 1  -24    0   34 o  2380.94  120.059   90.537   8.8988   90.537   8.8988   90.537   8.8988  2380.94  120.059  2380.94  120.059 -0.000000 0.000000 
1 1 1  -24    0   36 o  860.169  153.817   12.831   3.7484   12.831   3.7484   12.831   3.7484  860.169  153.817  860.169  153.817 -0.000000 0.000000 
1 1 1  -24    0   38 f  1747.01  169.814   50.293   9.0878   50.293   9.0878   50.293   9.0878  1747.01  169.814  1747.01  169.814 -0.000000 0.000000 
1 1 1  -24    0   40 o  2562.45  124.592  104.953   9.9430  104.953   9.9430  104.953   9.9430  2562.45  124.592  2562.45  124.592 -0.000000 0.000000 
1 1 1  -24    0   42 o  4568.55  171.643  336.810   24.475  336.810   24.475  336.810   24.475  4568.55  171.643  4568.55  171.643 -0.000000 0.000000 
1 1 1  -24    0   44 o  615.702  209.915   7.8819   3.6306   7.8819   3.6306   7.8819   3.6306  615.702  209.915  615.702  209.915 -0.000000 0.000000 
1 1 1  -24    0   46 o  301.146  183.846   1.3699   3.2834   1.3699   3.2834   1.3699   3.2834  301.146  183.846  301.146  183.846 -0.000000 0.000000 
1 1 1  -24    0   48 o  1622.74  120.694   42.602   6.0547   42.602   6.0547   42.602   6.0547  1622.74  120.694  1622.74  120.694 -0.000000 0.000000 
1 1 1  -24    0   50 o  5202.11  196.241  449.595   31.863  449.595   31.863  449.595   31.863  5202.11  196.241  5202.11  196.241 -0.000000 0.000000 
1 1 1  -24    0   52 o  2607.64  128.239  110.301   10.413  110.301   10.413  110.301   10.413  2607.64  128.239  2607.64  128.239 -0.000000 0.000000 
1 1 1  -24    0   54 o  1511.75  121.860   37.504   5.6822   37.504   5.6822   37.504   5.6822  1511.75  121.860  1511.75  121.860 -0.000000 0.000000 
1 1 1  -24    0   56 o  2084.31  122.261   70.923   7.9165   70.923   7.9165   70.923   7.9165  2084.31  122.261  2084.31  122.261 -0.000000 0.000000 
1 1 1  -24    0   58 o  3248.67  144.767  174.424   14.660  174.424   14.660  174.424   14.660  3248.67  144.767  3248.67  144.767 -0.000000 0.000000 
1 1 1  -24    0   60 o  4338.45  272.226  354.209   36.647  354.209   36.647  354.209   36.647  4338.45  272.226  4338.45  272.226 -0.000000 0.000000 
1 1 1  -24    1    1 f  1296.26   76.753   26.680   3.1015   28.115   4.4025   25.267   4.3699  1322.15  107.265  1251.19  112.752 70.96130 155.6239 
1 1 1  -24    1    3 f  1857.85   75.837   54.593   4.4117   55.559   6.2179   53.614   6.2605  1861.96  107.101  1827.87  109.892 34.08826 153.4498 
1 1 1  -24    1    5 o  646.578   96.219   6.7896   1.8887   7.0885   2.7359   6.5175   2.6106  650.428  138.573  623.448  137.427 26.97968 195.1636 
1 1 1  -24    1    7 o  1500.13   76.376   35.685   3.5757   37.461   5.0193   33.855   5.0952  1528.45  105.523  1450.09  113.109 78.35205 154.6897 
1 1 1  -24    1    9 o  436.251  125.552   3.1367   1.8075   0.6665   2.7525   5.0097   2.3967  359.229  149.038  545.940  139.643 -186.7108 204.2365 
1 1 1  -24    1   11 o  1374.94   78.069   30.023   3.3472   29.912   4.6840   30.138   4.7850  1362.74  110.728  1367.19  112.780 -4.446777 158.0505 
1 1 1  -24    1   13 o  1167.28   82.423   21.713   2.9932   23.443   4.2845   20.063   4.1834  1203.42  115.105  1110.08  122.388 93.33557 168.0124 
1 1 1  -24    1   15 o  1501.14   80.492   35.839   3.7697   36.300   5.3260   35.377   5.3363  1499.01  114.332  1479.01  116.160 20.00049 162.9875 
1 1 1  -24    1   17 o  1357.89   79.551   29.358   3.3677   32.172   4.7472   26.507   4.7782  1411.93  108.198  1275.99  121.040 135.9435 162.3497 
1 1 1  -24    1   19 o  317.346  137.787  -0.2073   2.5426   5.2057   3.7859  -4.6551   3.4318  560.744  185.387  280.244  134.589 280.5002 229.0902 
1 1 1  -24    1   21 o  462.147  165.174   3.2056   3.0243   3.4584   4.2589   2.9483   4.2954  505.732  193.157  490.876  192.226 14.85583 272.5076 
1 1 1  -24    1   23 o  983.620  133.505   16.173   4.0056   19.114   6.1792   14.040   5.2607  1035.07  197.867  885.241  195.048 149.8307 277.8400 
1 1 1  -24    1   25 o  735.937  158.486   9.4495   3.5442   8.5214   5.5645   10.083   4.5974  682.430  224.714  744.819  194.878 -62.38959 297.4448 
1 1 1  -24    1   27 o  1693.44   92.922   46.345   4.9084   44.714   5.9319   49.886   8.7413  1649.32  115.591  1700.86  166.257 -51.53491 202.4914 
1 1 1  -24    1   29 o  704.331  104.519   8.2151   2.2352   6.2272   3.1323   10.277   3.1905  593.369  163.399  776.138  136.250 -182.7697 212.7520 
1 1 1  -24    1   31 o  3534.51  120.941  205.518   13.385  206.752   23.223  204.904   16.379  3353.70  222.408  3483.98  150.142 -130.2834 268.3432 
1 1 1  -24    1   33 o  2539.65   88.493  103.772   7.0372  105.114   9.9697  102.440   9.9346  2517.89  126.860  2484.19  128.154 33.70117 180.3240 
1 1 1  -24    1   35 o  1543.80   80.666   38.322   3.8859   37.157   5.4524   39.525   5.5395  1498.53  117.132  1547.13  115.171 -48.60413 164.2692 
1 1 1  -24    1   37 o  2937.29  109.450  141.854   10.067  141.123   17.390  142.223   12.345  2771.49  201.776  2903.98  135.764 -132.4907 243.1986 
1 1 1  -24    1   39 o  342.136  134.750   1.3532   2.1216  -0.4970   3.1579   2.8753   2.8643  335.720  149.352  431.967  159.800 -96.24689 218.7287 
1 1 1  -24    1   41 o  311.204  127.212   0.8423   1.9666  -1.1852   2.7822   2.8668   2.7802  296.845  135.339  426.294  157.490 -129.4491 207.6527 
1 1 1  -24    1   43 o  492.784  135.932   4.3686   2.1656   6.9147   2.9784   1.5128   3.1544  610.471  155.410  385.765  159.757 224.7067 222.8783 
1 1 1  -24    1   45 o  715.489  114.632   8.9147   2.4815   10.969   3.2771   6.1543   3.7991  777.343  139.775  555.100  185.788 222.2428 232.4957 
1 1 1  -24    1   47 o  1034.13   95.510   18.259   3.0578   20.483   4.1586   15.642   4.5116  1062.93  127.491  884.189  169.117 178.7437 211.7882 
1 1 1  -24    1   49 o  1798.52   86.234   55.609   4.8563   52.341   6.7694   59.074   6.9708  1645.99  132.465  1761.66  127.226 -115.6719 183.6663 
1 1 1  -24    1   51 o  548.457  144.862   6.7712   2.5248   7.7060   3.3843   5.5979   3.7915  535.746  175.191  442.491  178.178 93.25436 249.8785 
1 1 1  -24    1   53 o  939.172  107.123   17.787   3.0939   17.669   4.1797   17.929   4.6015  813.045  169.661  765.296  192.269 47.74976 256.4223 
1 1 1  -24    1   55 o  2146.32  100.412   95.550   6.7484   88.600   9.3854  102.989   9.7102  1652.52  184.530  1857.86  168.756 -205.3422 250.0600 
1 1 1  -24    1   57 o  889.927  146.012   22.864   3.9276   19.622   4.5717   32.001   7.6744  625.246  203.576  471.644  218.551 153.6016 298.6767 
1 1 1  -24    1   59 o  1492.66  145.677   73.255   6.7220   69.513   8.0858   81.627   12.095  947.735  263.131  396.335  200.317 551.4006 330.7034 
1 1 1  -24    2    2 o  470.160  112.383   3.6775   1.6320   6.2966   2.2823   0.9369   2.3346  615.697  122.690  345.730  139.604 269.9665 185.8549 
1 1 1  -24    2    4 o  1086.53   79.069   18.783   2.6716   18.067   3.7349   19.533   3.8231  1056.20  114.780  1099.33  112.654 -43.12854 160.8273 
1 1 1  -24    2    6 o  998.502   80.361   15.885   2.4912   9.3933   3.4342   23.096   3.6194  747.223  151.953  1200.92   97.081 -453.6969 180.3173 
1 1 1  -24    2    8 o  1395.95   77.499   30.927   3.3742   34.970   4.7359   26.758   4.8086  1477.27  103.029  1285.50  120.882 191.7659 158.8310 
1 1 1  -24    2   10 o  1824.65   78.535   52.709   4.4870   47.717   6.3150   57.799   6.3767  1720.47  117.933  1898.64  107.703 -178.1666 159.7127 
1 1 1  -24    2   12 o  737.883   97.784   8.8195   2.2036   10.928   3.2617   7.0491   2.9890  812.638  132.770  645.220  150.674 167.4185 200.8244 
1 1 1  -24    2   14 o  1422.48   78.878   32.162   3.4996   33.872   4.9998   30.519   4.9000  1449.48  111.003  1374.03  114.946 75.45667 159.7937 
1 1 1  -24    2   16 o  1386.63   77.873   30.576   3.3675   31.368   4.7600   29.783   4.7647  1393.98  109.945  1356.89  113.175 37.08850 157.7865 
1 1 1  -24    2   18 o  297.723  133.597  -1.0173   2.5857  -2.2179   3.6728   0.1624   3.6408  335.909  154.033  388.159  166.684 -52.24908 226.9572 
1 1 1  -24    2   20 o  245.718  116.673  -2.8308   2.4289  -2.2707   3.3106  -3.4839   3.5746  313.486  144.656  306.557  144.348 6.929565 204.3566 
1 1 1  -24    2   22 f  761.659  148.510   9.9120   3.4146   9.5905   5.0052   10.192   4.6703  728.096  208.745  753.908  196.012 -25.81189 286.3476 
1 1 1  -24    2   24 f  682.296  155.662   8.0969   3.2521   7.4734   4.6675   8.6853   4.5338  646.541  205.237  692.876  198.680 -46.33551 285.6503 
1 1 1  -24    2   26 o  1399.28   95.247   31.700   4.1484   28.880   5.0982   37.226   7.1366  1319.82  124.846  1477.28  156.673 -157.4596 200.3316 
1 1 1  -24    2   28 o  865.779  113.976   12.434   3.0147   13.545   3.7168   10.299   5.1544  893.534  137.231  742.997  211.440 150.5367 252.0699 
1 1 1  -24    2   30 o  1776.10   80.346   50.482   4.4684   53.016   6.4290   48.114   6.2149  1796.79  114.871  1710.08  116.763 86.70715 163.7952 
1 1 1  -24    2   32 o  1635.96   92.201   43.244   4.7038   49.934   8.3828   40.170   5.6828  1708.54  158.497  1561.83  117.053 146.7072 197.0347 
1 1 1  -24    2   34 o  2166.69   82.954   75.312   5.6280   76.982   8.0182   73.690   7.9014  2160.51  118.982  2112.85  119.925 47.66431 168.9342 
1 1 1  -24    2   36 o  892.781  110.257   13.239   3.0168   10.727   5.6056   14.262   3.5793  744.742  222.952  918.386  127.942 -173.6441 257.0546 
1 1 1  -24    2   38 o  3113.45   97.182  158.143   9.4742  161.258   13.431  155.058   13.366  3079.16  139.303  3015.47  141.560 63.68457 198.6068 
1 1 1  -24    2   40 o  2334.36   86.254   88.512   6.3047   84.614   8.9194   92.405   8.9131  2231.42  128.193  2340.73  122.030 -109.3091 176.9883 
1 1 1  -24    2   42 o  3358.35  102.968  187.173   10.828  183.907   15.345  190.411   15.281  3222.97  152.056  3288.52  148.398 -65.55444 212.4686 
1 1 1  -24    2   44 o  825.554  105.424   11.574   2.6630   10.425   3.8306   12.648   3.7046  739.924  169.036  834.841  147.092 -94.91785 224.0738 
1 1 1  -24    2   46 o  1859.62   83.091   57.130   4.8383   57.947   6.8469   56.315   6.8379  1817.79  120.981  1789.05  122.807 28.74207 172.3890 
1 1 1  -24    2   48 o  2266.39   88.635   87.392   6.2901   81.190   8.8553   93.709   8.9364  2069.81  137.414  2251.70  127.267 -181.8884 187.2955 
1 1 1  -24    2   50 o  245.787  113.910  -0.7277   2.0860   1.3920   2.7581  -3.5605   3.1885  329.269  143.235  250.676  122.534 78.59297 188.4960 
1 1 1  -24    2   52 o  1527.14   91.586   43.221   4.3593   38.789   5.9548   48.338   6.3989  1292.73  149.892  1470.53  140.685 -177.8037 205.5722 
1 1 1  -24    2   54 o  387.592  147.036   4.3689   2.4574   2.4876   3.2565   6.8568   3.7449  318.251  145.606  416.489  173.404 -98.23877 226.4292 
1 1 1  -24    2   56 o  1519.14  123.458   56.054   5.8219   56.389   7.0275   55.322   10.395  1318.86  174.452  567.669  259.875 751.1899 312.9990 
1 1 1  -24    2   58 o  274.833  128.900   2.8576   2.8021   3.3774   3.1870   1.0869   5.8821  279.527  132.995  ?   ?  0.000000 132.9954 
1 1 1  -24    2   60 o  1037.57  162.291   42.124   5.0999   37.053   5.9769   55.699   9.7796  575.696  226.352  347.502  176.084 228.1945 286.7769 
1 1 1  -24    3    1 o  1649.11   75.405   43.023   3.8937   43.818   5.4974   42.223   5.5158  1652.48  106.816  1621.09  109.301 31.39709 152.8280 
1 1 1  -24    3    3 o  974.092   79.494   15.120   2.4035   15.107   3.4050   15.132   3.3933  964.638  114.995  965.594  114.457 -0.9563599 162.2478 
1 1 1  -24    3    5 o  979.724   84.028   15.323   2.5528   15.973   3.5723   14.644   3.6494  991.674  117.317  946.261  126.321 45.41296 172.3956 
1 1 1  -24    3    7 o  2293.69   80.711   83.317   5.7967   84.512   8.1712   82.106   8.2246  2297.28  113.594  2260.21  116.609 37.06909 162.7921 
1 1 1  -24    3    9 o  1056.47   79.359   17.768   2.6061   18.197   3.7154   17.353   3.6564  1060.21  113.692  1034.74  114.784 25.47009 161.5592 
1 1 1  -24    3   11 o  322.598  123.078   1.1941   1.7280   0.7875   2.5226   1.5535   2.3719  350.538  143.774  372.394  143.666 -21.85666 203.2507 
1 1 1  -24    3   13 o  1132.78   80.879   20.442   2.8499   21.079   4.1198   19.857   3.9466  1139.90  117.088  1106.54  115.611 33.35388 164.5467 
1 1 1  -24    3   15 o  332.461  123.230   1.4182   1.7050   2.5876   2.4385   0.2998   2.3848  420.433  148.523  324.825  137.009 95.60831 202.0660 
1 1 1  -24    3   17 o  1899.92  114.820   58.325   6.7987   54.959   9.6557   61.636   9.5744  1809.38  172.516  1925.59  160.247 -116.2189 235.4589 
1 1 1  -24    3   19 o  936.085  134.323   14.554   3.8243   14.381   5.6480   14.700   5.1969  899.406  205.099  917.991  187.143 -18.58429 277.6478 
1 1 1  -24    3   21 o  339.995  143.207   0.4362   2.5996   3.5904   3.7160  -2.5867   3.6379  495.276  182.230  325.416  150.679 169.8607 236.4570 
1 1 1  -24    3   23 o  758.003  161.356   9.9794   3.7122   7.8339   5.3624   11.954   5.1442  663.625  220.696  811.891  202.912 -148.2657 299.7996 
1 1 1  -24    3   25 o  1735.79   95.966   48.669   5.1957   50.097   6.3818   45.861   8.9478  1748.06  117.271  1625.11  178.797 122.9459 213.8248 
1 1 1  -24    3   27 o  558.679  141.146   5.3978   2.4700   7.2598   3.3251   3.1051   3.6896  641.064  164.752  472.350  179.933 168.7141 243.9653 
1 1 1  -24    3   29 o  695.894  131.544   8.2390   2.7613   6.2609   3.6217   10.985   4.2675  594.461  179.491  784.294  177.866 -189.8324 252.6920 
1 1 1  -24    3   31 o  2767.90   90.637  123.207   7.8555  121.331   11.129  125.070   11.090  2707.72  131.261  2752.00  128.693 -44.27930 183.8240 
1 1 1  -24    3   33 o  1576.08   94.194   40.198   4.6273   32.915   8.1327   43.685   5.6269  1353.88  197.666  1633.28  110.678 -279.4019 226.5423 
1 1 1  -24    3   35 f  1284.36   94.410   26.801   3.7702   32.008   6.6700   24.356   4.5704  1360.91  159.552  1209.26  122.390 151.6527 201.0874 
1 1 1  -24    3   37 o  2643.93   89.638  113.075   7.4210  102.844   10.495  123.308   10.495  2467.03  136.383  2722.48  123.114 -255.4443 183.7317 
1 1 1  -24    3   39 o  2738.50  106.576  123.667   9.1388  129.185   11.252  112.972   15.665  2765.09  129.960  2449.36  206.163 315.7302 243.7065 
1 1 1  -24    3   41 o  2151.04   85.163   75.215   5.7361   76.626   8.0891   73.787   8.1353  2127.70  121.923  2083.49  125.281 44.21069 174.8161 
1 1 1  -24    3   43 o  936.474  100.132   14.677   2.8907   14.937   4.2470   14.452   3.9457  906.628  155.181  899.187  145.076 7.440857 212.4340 
1 1 1  -24    3   45 o  592.798  131.777   6.3612   2.3827   6.5730   3.3811   6.1522   3.3582  578.282  173.161  560.022  173.563 18.25995 245.1705 
1 1 1  -24    3   47 o  1603.65   83.961   43.002   4.2014   39.797   5.8639   46.384   6.0225  1482.73  127.542  1613.44  120.069 -130.7041 175.1676 
1 1 1  -24    3   49 o  3516.74  114.848  227.849   12.647  218.843   17.856  236.915   17.915  3096.21  185.023  3273.45  175.418 -177.2441 254.9607 
1 1 1  -24    3   51 o  3146.48  112.112  191.470   11.046  187.934   15.566  195.057   15.676  2709.88  184.551  2781.06  181.003 -71.18091 258.4981 
1 1 1  -24    3   53 o  1351.96  111.345   37.440   4.6717   34.134   5.6724   44.411   8.2365  1158.39  160.715  1039.29  255.009 119.0952 301.4281 
1 1 1  -24    3   55 o  2109.49  126.444  105.235   8.3135  111.406   10.209   93.087   14.324  1919.56  171.663  651.657  300.769 1267.907 346.3096 
1 1 1  -24    3   57 o  1862.84  131.771   92.558   7.6366   90.638   9.3166   96.491   13.332  1461.92  209.514  557.013  266.914 904.9116 339.3216 
1 1 1  -24    3   59 o  1454.63  107.864   53.168   4.8780   50.273   6.7961   56.245   7.0057  854.987  242.607  968.734  233.660 -113.7472 336.8314 
1 1 1  -24    4    2 o  1255.82   76.840   25.047   3.0070   25.282   4.2290   24.806   4.2765  1252.90  108.880  1240.17  111.310 12.72876 155.7079 
1 1 1  -24    4    4 f  759.750   86.549   9.2710   2.0222   6.6316   2.8859   11.817   2.8345  626.538  149.236  853.471  108.518 -226.9331 184.5194 
1 1 1  -24    4    6 o  1400.88   75.280   31.120   3.2901   31.964   4.6537   30.277   4.6520  1411.09  106.100  1372.15  109.177 38.94849 152.2394 
1 1 1  -24    4    8 o  904.861   84.234   13.089   2.3592   13.488   3.4633   12.743   3.2226  907.769  125.172  883.603  119.544 24.16577 173.0858 
1 1 1  -24    4   10 o  889.402   84.856   12.656   2.3345   13.420   3.3613   11.945   3.2448  906.333  121.501  853.099  125.195 53.23358 174.4601 
1 1 1  -24    4   12 o  882.839   90.987   12.518   2.4792   15.540   3.6550   9.9420   3.3741  975.644  122.329  770.389  145.197 205.2559 189.8593 
1 1 1  -24    4   14 o  2423.72  122.253   94.907   9.2482   97.984   13.162   91.907   12.997  2424.55  174.544  2344.70  178.363 79.84692 249.5573 
1 1 1  -24    4   16 o  669.459  165.176   7.6955   3.4412   5.4418   4.7977   10.083   4.9385  588.206  208.271  756.549  203.867 -168.3423 291.4420 
1 1 1  -24    4   18 o  1141.35  123.257   21.319   4.3351   21.033   6.2657   21.582   6.0041  1103.50  188.080  1124.19  176.368 -20.69739 257.8371 
1 1 1  -24    4   20 o  2517.75  123.709  103.067   9.7528  115.555   13.892   90.932   13.695  2618.47  170.365  2299.96  191.913 318.5112 256.6217 
1 1 1  -24    4   22 o  397.494  142.565   2.2982   2.2549   2.4971   2.8376   1.9573   3.7146  426.400  158.793  439.436  176.568 -13.03662 237.4691 
1 1 1  -24    4   24 o  1195.78   95.806   23.133   3.5571   22.550   4.4846   24.122   5.8411  1167.75  124.569  1187.87  161.204 -20.12256 203.7257 
1 1 1  -24    4   26 o  473.138  153.144   3.7225   2.5892   0.8434   3.3012   8.3244   4.1736  386.144  161.946  680.151  189.118 -294.0063 248.9822 
1 1 1  -24    4   28 o  452.542  145.397   3.3932   2.3371   2.0360   3.0612   5.2898   3.6186  414.562  162.294  554.805  181.140 -140.2436 243.2103 
1 1 1  -24    4   30 o  1269.48   83.655   25.896   3.3067   32.277   4.8741   20.454   4.5010  1404.33  111.767  1106.01  132.611 298.3228 173.4290 
1 1 1  -24    4   32 o  1117.76   85.990   20.138   2.9865   21.354   4.4366   19.130   4.0386  1132.55  127.312  1073.78  122.297 58.76416 176.5358 
1 1 1  -24    4   34 o  776.305  140.111   10.319   3.2805   0.0000   0.0000   10.319   3.2805  ?   ?   776.305  140.111 0.000000 140.1108 
1 1 1  -24    4   36 o  1134.87   89.557   20.899   3.1566   22.592   4.6872   19.493   4.2701  1157.55  131.659  1075.73  129.364 81.81897 184.5779 
1 1 1  -24    4   38 o  1013.54   91.526   16.787   2.8734   15.999   4.2511   17.450   3.8989  959.541  146.100  1015.66  125.248 -56.12292 192.4378 
1 1 1  -24    4   40 o  442.302  157.015   3.2065   2.7285   3.8746   3.3278   1.8362   4.7660  480.825  173.113  455.097  192.916 25.72812 259.2003 
1 1 1  -24    4   42 o  560.438  141.960   5.6520   2.4940   6.2726   3.5850   5.0698   3.4719  576.153  179.452  526.062  177.598 50.09070 252.4760 
1 1 1  -24    4   44 o  804.498  112.533   11.101   2.7572   14.388   3.9564   7.9977   3.8446  892.549  146.658  637.373  183.012 255.1765 234.5247 
1 1 1  -24    4   46 o  587.876  134.451   6.3836   2.4212   10.794   3.3391   1.4940   3.5159  760.393  145.543  386.976  164.921 373.4174 219.9586 
1 1 1  -24    4   48 o  3038.02  121.526  168.788   11.561  166.837   14.136  172.727   20.087  2883.04  157.186  2506.26  259.731 376.7778 303.5914 
1 1 1  -24    4   50 o  1379.53  104.288   35.104   4.4716   31.530   5.3623   43.263   8.1018  1233.66  141.367  1281.82  209.061 -48.16223 252.3710 
1 1 1  -24    4   52 o  1536.84  106.285   46.089   5.0833   45.594   6.1995   47.106   8.8801  1429.58  140.302  1103.61  261.059 325.9717 296.3722 
1 1 1  -24    4   54 o  705.272  149.465   12.669   3.1982   13.655   3.8674   10.536   5.6881  656.724  181.852  421.508  192.694 235.2161 264.9550 
1 1 1  -24    4   56 o  2097.89  100.496   93.877   6.6016   84.757   9.2633  103.289   9.4105  1493.95  203.300  1824.40  166.569 -330.4417 262.8232 
1 1 1  -24    4   58 f  1335.51  102.554   41.303   4.2559   40.176   5.9169   42.511   6.1260  948.525  205.183  964.510  208.886 -15.98572 292.8028 
1 1 1  -24    4   60 o  1636.78  113.916   73.937   5.8020   73.287   8.0875   74.625   8.3282  862.601  269.675  801.308  275.025 61.29291 385.1796 
1 1 1  -24    5    1 o  1355.47  112.868   29.639   4.7469   29.639   4.7469   0.0000   0.0000  1355.47  112.868  ?   ?  0.000000 112.8684 
1 1 1  -24    5    3 f  338.834  126.496   1.4346   1.8029  -0.8293   2.0484   9.2163   3.7978  266.350  119.257  734.999  168.600 -468.6496 206.5145 
1 1 1  -24    5    5 o  1439.02   89.556   33.006   4.0153   28.190   4.8627   43.328   7.1186  1320.34  118.894  1629.48  140.904 -309.1438 184.3630 
1 1 1  -24    5    7 o  767.720  107.786   9.5901   2.5197   12.282   3.0759   4.0980   4.3933  868.228  116.044  538.146  198.122 330.0819 229.6053 
1 1 1  -24    5    9 f  756.501  115.121   9.3670   2.6410   8.8895   3.2473   10.300   4.5388  727.332  147.627  771.979  189.232 -44.64636 240.0049 
1 1 1  -24    5   11 o  1541.92   92.956   37.952   4.4670   37.586   5.4233   38.724   7.8774  1527.01  114.253  1525.57  167.671 1.437500 202.8974 
1 1 1  -24    5   13 o  309.375  134.792  -0.3178   2.4505  -6.5285   3.4956   5.6838   3.4362  260.211  127.427  580.749  174.717 -320.5381 216.2493 
1 1 1  -24    5   15 o  619.629  156.866   6.5497   3.0464   2.3562   4.3119   10.729   4.3047  478.608  190.956  788.344  178.532 -309.7360 261.4152 
1 1 1  -24    5   17 o  1662.64  113.155   44.695   5.8560   46.823   8.2479   42.532   8.3157  1676.74  158.994  1591.03  169.529 85.71082 232.4207 
1 1 1  -24    5   19 o  673.798  151.438   7.7670   3.1173   8.2657   4.9131   7.4310   4.0331  684.544  209.566  652.185  187.497 32.35907 281.1987 
1 1 1  -24    5   21 o  935.576  106.308   14.274   3.0590   15.232   3.9345   12.811   4.8640  955.594  135.271  852.166  187.385 103.4282 231.1091 
1 1 1  -24    5   23 o  1446.77   93.839   33.714   4.2281   35.950   5.1883   29.293   7.2956  1485.30  112.388  1297.63  184.772 187.6757 216.2679 
1 1 1  -24    5   25 o  2056.86   95.061   68.012   6.1225   64.189   7.4779   75.786   10.663  1978.87  121.268  2114.28  162.305 -135.4109 202.6054 
1 1 1  -24    5   27 o  1171.08  100.156   22.267   3.6373   20.564   4.6164   25.056   5.9068  1108.74  135.810  1211.34  159.615 -102.6019 209.5742 
1 1 1  -24    5   29 o  1571.91   79.642   39.518   3.9072   41.273   5.7161   37.979   5.3529  1588.23  115.737  1524.82  112.915 63.40710 161.6933 
1 1 1  -24    5   31 o  1765.23   80.435   49.750   4.4460   49.691   6.3707   49.805   6.2076  1741.73  117.499  1745.87  114.180 -4.139526 163.8388 
1 1 1  -24    5   33 o  2624.48   88.844  110.583   7.3011  110.295   10.399  110.864   10.253  2586.33  128.409  2595.26  126.170 -8.932861 180.0219 
1 1 1  -24    5   35 o  491.993  139.145   4.1697   2.2394   2.2836   3.3697   5.6617   2.9970  432.408  169.975  566.902  161.192 -134.4945 234.2532 
1 1 1  -24    5   37 o  975.583   94.126   15.556   2.8397   15.237   4.1758   15.831   3.8731  938.425  146.931  965.671  131.508 -27.24579 197.1877 
1 1 1  -24    5   39 o  2261.05   86.423   82.741   6.1186   87.251   8.7316   78.390   8.5766  2281.77  122.660  2156.78  127.563 124.9929 176.9687 
1 1 1  -24    5   41 o  831.847  134.417   12.034   3.3818   11.711   4.2130   12.619   5.6707  794.777  174.103  789.284  220.791 5.493042 281.1774 
1 1 1  -24    5   43 o  2627.64   91.508  113.296   7.5291  120.150   10.672  106.504   10.624  2647.13  128.753  2474.41  137.659 172.7161 188.4870 
1 1 1  -24    5   45 o  630.901  130.800   7.1716   2.4991   4.5602   3.3307   10.536   3.7805  492.665  173.629  740.052  167.100 -247.3862 240.9756 
1 1 1  -24    5   47 o  454.868  155.331   4.0539   2.6561   4.4429   3.1187   3.0265   5.0682  470.230  167.767  446.811  194.266 23.41882 256.6807 
1 1 1  -24    5   49 o  689.223  154.484   10.066   3.2515   9.7646   3.7777   10.927   6.3868  641.620  180.465  567.031  230.223 74.58862 292.5246 
1 1 1  -24    5   51 o  413.857  156.583   4.2275   2.7822   3.1720   3.2868   6.8955   5.2255  374.381  159.503  446.537  195.629 -72.15601 252.4119 
1 1 1  -24    5   53 o  1846.41   92.117   64.505   5.3258   57.373   7.3999   72.169   7.6711  1505.60  159.387  1765.01  139.949 -259.4154 212.1083 
1 1 1  -24    5   55 o  1175.24  103.433   28.935   3.7675   27.393   5.0339   30.899   5.6806  951.952  175.339  950.035  197.406 1.917664 264.0322 
1 1 1  -24    5   57 o  1734.23  102.851   66.991   5.5602   62.287   7.6751   72.187   8.0660  1239.02  204.997  1386.12  190.905 -147.0983 280.1224 
1 1 1  -24    5   59 o  1700.16  111.749   74.165   5.9160   74.407   8.2206   73.905   8.5203  1079.03  248.444  947.197  272.585 131.8292 368.8183 
1 1 1  -24    6    2 o  1100.32  111.486   19.578   3.7881   19.578   3.7881   0.0000   0.0000  1100.32  111.486  ?   ?  0.000000 111.4862 
1 1 1  -24    6    4 o  968.879   95.812   15.080   2.8687   15.063   3.3869   15.126   5.3963  963.129  114.550  938.019  190.233 25.10938 222.0592 
1 1 1  -24    6    6 o  1592.65   93.148   40.465   4.6250   36.560   5.6608   48.306   8.0211  1503.81  121.248  1715.88  150.822 -212.0613 193.5156 
1 1 1  -24    6    8 o  872.179  109.310   12.344   2.9197   10.377   3.5215   16.670   5.2223  787.001  148.340  992.515  174.402 -205.5142 228.9561 
1 1 1  -24    6   10 o  343.141  134.089   1.2109   2.0867   1.4571   2.6812   0.8326   3.3233  383.392  151.329  393.614  163.572 -10.22125 222.8373 
1 1 1  -24    6   12 o  867.804  132.137   12.432   3.4772   8.3753   5.2483   15.606   4.6422  696.787  217.145  964.255  159.315 -267.4674 269.3204 
1 1 1  -24    6   14 o  1562.08  110.684   39.331   5.3787   43.370   7.6770   35.437   7.5383  1620.12  153.146  1455.16  168.563 164.9609 227.7440 
1 1 1  -24    6   16 o  1218.51  113.970   24.088   4.2980   24.580   6.1595   23.622   6.0002  1207.58  167.399  1183.92  166.451 23.66199 236.0685 
1 1 1  -24    6   18 o  1598.23   91.258   40.891   4.5480   41.288   5.6210   40.137   7.7391  1596.66  113.164  1547.62  162.107 49.03662 197.6988 
1 1 1  -24    6   20 o  1429.54   92.605   32.809   4.1229   33.837   5.1313   30.936   6.9255  1442.52  114.546  1351.13  167.269 91.39026 202.7304 
1 1 1  -24    6   22 o  785.750  116.545   10.206   2.7805   8.6442   3.5197   12.799   4.5349  705.966  162.581  857.133  174.890 -151.1667 238.7865 
1 1 1  -24    6   24 o  1121.93   98.636   20.382   3.4299   20.391   4.2808   20.366   5.7321  1111.17  125.219  1085.24  174.604 25.93091 214.8634 
1 1 1  -24    6   26 o  597.056  144.117   6.1267   2.6636   5.8417   3.3026   6.6572   4.5053  580.092  170.512  618.497  202.129 -38.40485 264.4434 
1 1 1  -24    6   28 o  1172.35   84.563   22.058   3.0834   24.994   4.4461   19.338   4.2798  1235.32  116.313  1079.72  129.151 155.5981 173.8067 
1 1 1  -24    6   30 o  3453.34  100.767  192.126   10.896  196.415   15.463  187.896   15.357  3442.19  143.461  3363.64  145.808 78.55298 204.5503 
1 1 1  -24    6   32 o  1344.18   83.287   28.980   3.4882   30.378   5.0565   27.710   4.8184  1359.27  120.036  1297.88  119.919 61.39319 169.6735 
1 1 1  -24    6   34 o  1009.20   91.658   16.507   2.8649   19.004   4.3402   14.579   3.8137  1064.49  133.123  929.778  134.935 134.7164 189.5502 
1 1 1  -24    6   36 o  2560.77   88.180  105.614   7.0707  112.371   10.135   99.207   9.8688  2605.88  124.213  2439.89  129.640 165.9937 179.5421 
1 1 1  -24    6   38 o  2397.40   87.148   92.823   6.5421   87.786   9.3026   97.752   9.2020  2285.48  130.532  2425.88  121.143 -140.3975 178.0847 
1 1 1  -24    6   40 o  1883.58   84.094   57.370   4.9598   51.648   6.9981   63.147   7.0305  1746.49  128.877  1945.69  115.924 -199.2023 173.3423 
1 1 1  -24    6   42 o  374.497  153.290   1.3979   2.8603   3.2126   3.6091  -1.6673   4.6905  459.924  177.276  378.807  173.838 81.11676 248.2872 
1 1 1  -24    6   44 o  699.968  128.503   8.6536   2.7127   9.0336   4.0924   8.3558   3.6230  675.342  187.087  658.630  173.324 16.71149 255.0350 
1 1 1  -24    6   46 o  1121.92  130.795   22.686   4.5086   22.686   4.5086   0.0000   0.0000  1121.92  130.795  ?   ?  0.000000 130.7948 
1 1 1  -24    6   48 f  2380.90  105.369  100.449   7.8555   88.908   9.4964  125.462   13.980  2136.89  142.747  2368.65  190.095 -231.7637 237.7243 
1 1 1  -24    6   50 o  1501.23  106.845   41.982   4.9897   40.212   5.9336   46.255   9.2206  1400.31  137.082  1215.67  250.560 184.6400 285.6081 
1 1 1  -24    6   52 o  1770.46   91.816   58.040   5.0726   56.080   7.0783   60.110   7.2731  1569.12  145.729  1630.56  143.928 -61.44299 204.8218 
1 1 1  -24    6   54 o  1139.32  100.317   26.015   3.5423   21.884   4.8499   30.739   5.1862  840.773  188.835  1086.77  156.951 -245.9987 245.5447 
1 1 1  -24    6   56 o  568.039  156.294   9.8034   2.8672   6.0523   3.7928   14.806   4.3801  357.475  160.987  555.708  198.761 -198.2329 255.7787 
1 1 1  -24    6   58 o  1784.50  104.642   74.210   5.8215   63.461   8.0171   86.200   8.4671  1039.44  249.490  1484.46  186.259 -445.0265 311.3478 
1 1 1  -24    7    1 o  508.959  127.774   4.3405   2.0333   1.9807   2.3332   11.791   4.1457  389.063  144.167  833.805  164.629 -444.7417 218.8305 
1 1 1  -24    7    3 o  404.263  152.561   2.0363   2.6368   2.0363   2.6368   0.0000   0.0000  404.263  152.561  ?   ?  0.000000 152.5614 
1 1 1  -24    7    5 f  1107.50   96.181   19.669   3.3023   22.447   4.1188   14.670   5.5255  1178.58  112.993  920.287  197.649 258.2949 227.6677 
1 1 1  -24    7    7 o  809.753  109.297   10.667   2.7005   10.171   3.3299   11.621   4.6156  780.919  141.383  821.788  183.955 -40.86908 232.0100 
1 1 1  -24    7    9 o  1292.28  114.313   26.976   4.5779   28.099   6.8168   26.053   6.1784  1294.80  172.423  1251.11  161.479 43.69092 236.2312 
1 1 1  -24    7   11 o  1065.60  122.144   18.502   4.0019   18.000   5.7303   18.980   5.5914  1026.08  185.164  1058.91  174.730 -32.82605 254.5904 
1 1 1  -24    7   13 o  336.216  141.748   0.3402   2.5507   1.8201   3.6596  -1.0577   3.5570  438.126  175.533  355.238  158.239 82.88852 236.3290 
1 1 1  -24    7   15 o  1055.92  120.084   18.195   3.8998   24.988   5.8076   12.616   5.2629  1224.53  154.929  846.869  201.407 377.6616 254.1023 
1 1 1  -24    7   17 o  606.198  132.391   6.1922   2.4426   10.209   3.1552   0.1841   3.8588  782.359  133.592  399.230  171.525 383.1291 217.4108 
1 1 1  -24    7   19 o  887.323  109.643   12.852   2.9815   12.415   3.6592   13.715   5.1430  860.942  140.589  884.064  191.339 -23.12225 237.4366 
1 1 1  -24    7   21 o  1256.35   94.918   25.400   3.7065   23.351   4.5810   29.285   6.3071  1192.72  124.495  1321.04  155.448 -128.3199 199.1559 
1 1 1  -24    7   23 o  395.115  132.076   2.4441   1.9200   2.9146   3.1516   2.1664   2.4211  454.248  167.708  398.144  146.991 56.10318 223.0074 
1 1 1  -24    7   25 f  1117.16  102.536   20.229   3.5468   19.610   4.3857   21.399   6.0300  1088.16  131.373  1112.91  179.114 -24.74866 222.1276 
1 1 1  -24    7   27 o  941.510   87.650   14.270   2.5543   17.389   3.7721   11.629   3.4713  1028.90  119.296  831.974  138.092 196.9219 182.4856 
1 1 1  -24    7   29 o  1498.73   82.318   35.899   3.8483   33.914   5.5477   37.741   5.3427  1437.89  124.443  1523.41  112.805 -85.52539 167.9614 
1 1 1  -24    7   31 o  352.223  133.685   1.5354   2.0320   0.9760   3.0923   1.9606   2.6958  382.225  158.224  399.409  153.405 -17.18338 220.3819 
1 1 1  -24    7   33 o  2762.27   90.672  122.426   7.8425  124.058   11.172  120.841   11.012  2745.78  129.940  2710.13  129.763 35.65137 183.6380 
1 1 1  -24    7   35 o  351.656  135.072   1.5061   2.0900   5.6897   3.1805  -1.6733   2.7727  568.842  167.367  290.765  133.516 278.0768 214.0988 
1 1 1  -24    7   37 o  2846.06   93.526  131.040   8.3348  127.786   11.875  134.200   11.701  2759.42  137.436  2835.48  131.790 -76.06201 190.4139 
1 1 1  -24    7   39 o  1246.90   90.212   25.300   3.4984   21.173   4.9930   29.280   4.9032  1105.64  147.930  1323.48  119.610 -217.8385 190.2358 
1 1 1  -24    7   41 o  1126.36   92.030   20.779   3.2175   22.464   4.7000   19.293   4.4139  1144.64  133.649  1058.07  136.402 86.57043 190.9652 
1 1 1  -24    7   43 o  2314.10  103.924   88.930   7.5304   85.948   9.2680   94.722   12.918  2231.47  133.249  2249.25  185.055 -17.78198 228.0370 
1 1 1  -24    7   45 o  1192.74  112.623   24.478   4.1564   23.859   5.1863   25.591   6.9495  1141.18  148.670  1111.78  207.251 29.39661 255.0598 
1 1 1  -24    7   47 o  801.970  137.264   12.167   3.3230   10.098   4.0101   16.701   5.9366  679.146  184.000  822.011  224.369 -142.8649 290.1678 
1 1 1  -24    7   49 o  1832.20   87.378   58.277   5.0129   51.899   6.9143   65.345   7.2784  1612.67  138.263  1840.48  127.074 -227.8141 187.7883 
1 1 1  -24    7   51 o  1127.80   97.651   23.568   3.4144   25.109   4.5680   21.615   5.1400  1088.29  137.091  918.079  185.187 170.2104 230.4086 
1 1 1  -24    7   53 o  957.305  109.285   18.532   3.2172   17.472   4.3596   19.800   4.7673  788.760  180.429  822.665  189.036 -33.90576 261.3224 
1 1 1  -24    7   55 o  1753.50   97.330   62.169   5.3230   51.455   7.3014   74.323   7.7769  1257.85  191.417  1683.00  149.116 -425.1505 242.6441 
1 1 1  -24    7   57 o  1504.12  123.184   56.198   5.7508   51.541   9.5238   58.871   7.2146  569.221  255.840  1289.07  183.958 -719.8472 315.1105 
1 1 1  -24    7   59 o  696.097  227.996   33.550   5.7311   27.261   7.5705   41.993   8.7714  355.835  176.688  395.953  195.448 -40.11829 263.4739 
1 1 1  -24    8    2 o  909.923   83.710   13.238   2.3583   14.211   3.4979   12.426   3.1932  932.442  122.788  871.775  120.174 60.66730 171.8101 
1 1 1  -24    8    4 o  425.898  133.877   2.9165   1.9901   3.7513   2.8347   2.1050   2.7946  486.108  160.403  413.657  156.831 72.45056 224.3322 
1 1 1  -24    8    6 o  1205.38   78.917   23.104   2.9621   25.316   4.2854   21.080   4.0991  1253.08  110.343  1140.71  116.391 112.3695 160.3817 
1 1 1  -24    8    8 o  1017.44   92.177   16.591   2.9047   15.528   5.2500   17.060   3.4871  953.298  182.527  1026.85  110.174 -73.55597 213.2005 
1 1 1  -24    8   10 o  364.932  132.546   1.8110   1.9569  -2.1245   3.8728   3.1602   2.2676  350.168  159.660  444.801  143.252 -94.63333 214.5055 
1 1 1  -24    8   12 o  416.486  134.814   2.7500   2.0064   4.0872   3.9991   2.3001   2.3195  526.030  189.722  403.062  144.589 122.9677 238.5384 
1 1 1  -24    8   14 o  1289.06   79.825   26.450   3.2062   23.379   4.6297   29.280   4.4444  1197.06  125.376  1348.26  106.131 -151.1989 164.2647 
1 1 1  -24    8   16 o  670.887  106.806   7.3824   2.1685   11.507   3.3240   4.3260   2.8611  832.989  131.826  511.724  160.468 321.2646 207.6732 
1 1 1  -24    8   18 o  381.572  129.787   2.2163   1.8543   1.4760   3.0536   2.6487   2.3339  399.621  160.259  419.188  145.492 -19.56693 216.4510 
1 1 1  -24    8   20 f  1026.41   84.840   16.877   2.7023   23.115   4.0012   11.645   3.6642  1194.55  108.145  831.671  146.032 362.8796 181.7159 
1 1 1  -24    8   22 o  1621.82   78.762   41.786   3.9998   45.527   5.8302   38.459   5.4976  1677.31  111.646  1539.57  114.867 137.7456 160.1851 
1 1 1  -24    8   24 o  1849.96  117.509   55.546   6.7716   55.546   6.7716   0.0000   0.0000  1849.96  117.509  ?   ?  0.000000 117.5093 
1 1 1  -24    8   26 o  879.845   96.460   12.525   2.6139   13.778   4.0029   11.594   3.4514  905.683  146.123  832.628  137.158 73.05518 200.4103 
1 1 1  -24    8   28 o  1181.85   81.806   22.324   3.0087   25.002   4.3986   19.970   4.1246  1239.28  114.652  1103.89  121.329 135.3911 166.9308 
1 1 1  -24    8   30 o  1288.71   82.718   26.560   3.3203   28.379   4.9038   25.019   4.5119  1317.35  120.204  1237.32  117.881 80.03601 168.3596 
1 1 1  -24    8   32 o  276.255  122.822  -0.6342   2.1324   6.1394   4.0933  -3.1574   2.4982  596.552  192.499  243.972  116.539 352.5807 225.0275 
1 1 1  -24    8   34 o  868.587   99.496   12.317   2.6572   13.833   4.1110   11.230   3.4825  898.708  151.475  812.035  142.140 86.67371 207.7219 
1 1 1  -24    8   36 o  751.198  129.388   9.5655   2.9336   15.450   5.4686   7.1879   3.4761  920.974  195.668  634.606  171.053 286.3681 259.8948 
1 1 1  -24    8   38 o  2876.10   93.525  133.897   8.4226  124.609   11.916  143.168   11.906  2716.28  140.587  2929.90  129.781 -213.6230 191.3316 
1 1 1  -24    8   40 o  1051.06  112.145   18.400   3.6338   18.812   4.4933   17.623   6.1781  1045.52  140.832  960.068  211.247 85.45392 253.8877 
1 1 1  -24    8   42 o  1139.49  107.618   21.669   3.7944   21.365   4.6296   22.291   6.6227  1111.76  135.812  1076.89  203.868 34.86804 244.9635 
1 1 1  -24    8   44 o  1216.83  108.221   25.071   4.0804   23.290   4.9221   28.986   7.2962  1144.26  140.314  1210.01  199.526 -65.74609 243.9234 
1 1 1  -24    8   46 o  367.396  144.943   2.0126   2.4585   2.0987   3.5143   1.9301   3.4406  398.843  167.172  392.131  164.938 6.711914 234.8428 
1 1 1  -24    8   48 f  1088.67  100.682   20.999   3.3933   19.152   4.8694   22.743   4.7311  946.114  170.647  1071.47  144.717 -125.3614 223.7486 
1 1 1  -24    8   50 o  548.526  157.380   6.9456   2.8441   10.698   4.1300   3.5615   3.9223  629.196  192.053  399.107  172.208 230.0891 257.9538 
1 1 1  -24    8   52 o  641.225  147.749   9.5511   2.9056   6.1809   3.9046   13.733   4.3494  438.936  179.318  677.295  194.709 -238.3594 264.7012 
1 1 1  -24    8   54 o  1633.74   93.664   51.689   4.7715   49.378   6.6442   54.150   6.8566  1385.79  155.822  1465.57  151.604 -79.78149 217.4034 
1 1 1  -24    8   56 o  462.123  185.067   10.500   4.0660   13.134   5.0568   5.6827   6.8389  451.756  195.228  319.694  160.152 132.0623 252.5129 
1 1 1  -24    8   58 o  413.962  201.149   32.533   8.2404   0.0000   0.0000   32.533   8.2404  ?   ?   413.962  201.149 0.000000 201.1492 
1 1 1  -24    9    1 o  479.839  121.829   3.8395   1.8338   5.7476   2.8883   2.5510   2.3735  583.232  155.368  417.659  146.624 165.5734 213.6296 
1 1 1  -24    9    3 o  526.442  121.946   4.6247   1.9707   4.8863   2.9984   4.4258   2.6148  542.056  163.239  515.974  151.738 26.08185 222.8710 
1 1 1  -24    9    5 o  421.342  151.432   2.5049   2.5454   2.3627   3.9673   2.6044   3.3184  468.586  184.357  453.064  171.108 15.52127 251.5264 
1 1 1  -24    9    7 o  410.105  136.854   2.5969   2.0614   11.131   3.9475  -0.6026   2.4171  811.717  160.997  299.150  131.986 512.5676 208.1839 
1 1 1  -24    9    9 o  1052.58   96.363   17.781   3.1408   16.217   5.6646   18.476   3.7740  970.631  193.172  1067.80  114.669 -97.17194 224.6431 
1 1 1  -24    9   11 o  548.711  133.197   5.0577   2.2655   4.0489   4.3046   5.4442   2.6643  533.242  196.141  567.678  148.270 -34.43610 245.8772 
1 1 1  -24    9   13 o  896.632   90.244   12.907   2.4992   12.223   3.6887   13.488   3.3981  856.801  142.495  907.577  122.722 -50.77600 188.0571 
1 1 1  -24    9   15 o  316.275  124.155   0.9911   1.7955   0.3401   2.8431   1.4230   2.3157  352.930  149.270  363.631  141.487 -10.70059 205.6697 
1 1 1  -24    9   17 o  1228.84   80.833   24.059   3.0929   19.910   4.4749   27.853   4.2797  1100.96  132.466  1315.14  104.796 -214.1807 168.9066 
1 1 1  -24    9   19 o  850.941   97.134   11.702   2.5418   8.9597   3.8516   13.818   3.3830  720.695  172.891  918.390  120.555 -197.6943 210.7722 
1 1 1  -24    9   21 o  484.012  134.380   3.9259   2.1089   3.8177   3.3228   3.9988   2.7290  497.995  173.559  494.198  156.940 3.796478 233.9933 
1 1 1  -24    9   23 o  1288.91   80.088   26.464   3.2163   33.804   4.7447   20.223   4.3747  1448.74  105.313  1110.61  128.150 338.1345 165.8710 
1 1 1  -24    9   25 o  1342.36   82.238   28.724   3.4400   30.500   5.1280   27.272   4.6386  1369.58  120.815  1296.66  115.454 72.92200 167.1108 
1 1 1  -24    9   27 o  1657.10   80.284   43.608   4.1657   39.210   5.9753   47.766   5.8107  1551.80  124.007  1721.24  108.366 -169.4327 164.6843 
1 1 1  -24    9   29 o  3410.07   99.308  186.270   10.604  195.857   15.044  176.805   14.949  3459.57  138.877  3280.02  145.549 179.5505 201.1746 
1 1 1  -24    9   31 o  2395.31   98.877   92.069   7.4161   84.861   12.863   95.657   9.0765  2225.96  186.262  2428.05  119.382 -202.0984 221.2371 
1 1 1  -24    9   33 o  1132.32   85.642   20.601   3.0140   21.239   4.3164   19.994   4.2105  1134.56  123.494  1100.05  124.426 34.51501 175.3072 
1 1 1  -24    9   35 o  1624.87   81.798   42.312   4.1485   47.623   5.8981   37.111   5.8361  1707.93  110.887  1498.15  125.566 209.7732 167.5194 
1 1 1  -24    9   37 o  1029.39  131.462   17.824   4.1406   14.784   5.8086   20.964   5.9040  889.520  211.618  1087.42  179.669 -197.8976 277.6025 
1 1 1  -24    9   39 o  1778.89   96.792   51.486   5.3712   52.954   6.5767   48.545   9.3076  1787.84  118.145  1650.07  183.238 137.7710 218.0239 
1 1 1  -24    9   41 o  2306.00  102.069   87.185   7.3700   84.641   9.0642   92.146   12.660  2238.21  129.892  2261.00  180.326 -22.79224 222.2370 
1 1 1  -24    9   43 o  2553.11   90.985  106.874   7.2738  111.326   10.321  102.480   10.253  2544.37  129.974  2432.19  135.163 112.1831 187.5159 
1 1 1  -24    9   45 o  1084.07   99.486   19.955   3.3394   22.159   4.7096   17.727   4.7357  1103.65  139.390  962.593  162.932 141.0524 214.4205 
1 1 1  -24    9   47 o  1424.42   92.553   34.831   4.1057   34.857   5.7750   34.805   5.8382  1355.35  138.001  1350.89  140.054 4.461182 196.6201 
1 1 1  -24    9   49 o  883.800  120.299   14.887   3.2426   12.597   4.5131   17.330   4.6621  700.622  197.317  870.753  177.021 -170.1313 265.0860 
1 1 1  -24    9   51 o  1551.30  112.908   46.661   5.4469   45.932   6.5883   48.236   9.6823  1446.08  147.567  1121.63  277.262 324.4497 314.0862 
1 1 1  -24    9   53 o  1380.43  162.957   48.149   6.9079   48.237   10.012   48.069   9.5433  870.750  301.395  945.262  292.523 -74.51178 420.0104 
1 1 1  -24    9   55 o  531.235  196.561   12.253   4.3341   11.765   5.5517   13.016   6.9354  435.189  195.488  405.231  193.736 29.95862 275.2259 
1 1 1  -24    9   57 o  811.919  164.087   20.429   4.0281   20.167   4.7178   21.132   7.7376  662.379  205.789  391.259  191.174 271.1198 280.8856 
1 1 1  -24   10    2 o  675.652  155.113   7.7043   3.2123   5.6375   4.6740   9.5543   4.4221  598.438  205.998  745.722  189.106 -147.2845 279.6361 
1 1 1  -24   10    4 o  509.733  135.993   4.3390   2.2107   7.4107   4.2481   3.1981   2.5889  659.978  193.214  455.463  153.364 204.5151 246.6826 
1 1 1  -24   10    6 o  1609.49   88.888   41.217   4.4623   48.193   7.9205   37.974   5.4011  1716.97  148.794  1537.03  113.015 179.9391 186.8478 
1 1 1  -24   10    8 o  782.161  107.437   9.9380   2.5618   8.6805   4.8253   10.432   3.0230  709.728  205.391  796.762  125.307 -87.03455 240.5978 
1 1 1  -24   10   10 o  903.543   87.516   13.069   2.4450   10.524   3.5040   15.484   3.4132  793.816  146.364  977.370  113.652 -183.5543 185.3081 
1 1 1  -24   10   12 o  1018.54   87.142   16.578   2.7525   14.859   4.1028   17.984   3.7117  947.763  142.673  1053.81  114.316 -106.0490 182.8216 
1 1 1  -24   10   14 o  537.109  117.150   4.8003   1.9148   5.5808   3.0185   4.2747   2.4769  574.916  161.178  506.806  147.298 68.10989 218.3455 
1 1 1  -24   10   16 o  710.075  103.520   8.2087   2.2340   3.9973   3.3560   11.560   2.9936  508.082  174.574  841.282  116.793 -333.1991 210.0395 
1 1 1  -24   10   18 o  250.784  111.904  -0.6709   1.7872   0.7295   2.8714  -1.5565   2.2834  367.331  152.297  264.059  121.221 103.2719 194.6502 
1 1 1  -24   10   20 o  453.487  136.744   3.3732   2.1031   3.8590   3.3852   3.0678   2.6838  502.880  175.186  450.739  156.044 52.14029 234.6058 
1 1 1  -24   10   22 o  1168.58   81.858   21.753   2.9763   21.609   4.4322   21.872   4.0167  1151.74  124.901  1163.31  111.642 -11.56458 167.5242 
1 1 1  -24   10   24 o  936.222   90.517   14.064   2.6204   17.375   3.9339   11.423   3.5134  1031.35  124.321  828.297  140.483 203.0529 187.5929 
1 1 1  -24   10   26 o  1076.32   84.929   18.510   2.8390   20.036   4.1459   17.162   3.8958  1108.92  121.381  1024.49  123.965 84.42590 173.4954 
1 1 1  -24   10   28 f  984.296   94.335   15.590   2.8719   11.561   4.1329   19.352   3.9935  822.537  166.184  1089.50  118.996 -266.9660 204.3946 
1 1 1  -24   10   30 o  2022.76   95.521   65.425   6.0500   63.447   10.607   66.379   7.3658  1937.26  176.805  2024.04  116.715 -86.77954 211.8545 
1 1 1  -24   10   32 f  3671.72  104.678  217.078   12.035  231.755   17.094  202.653   16.947  3745.47  145.753  3490.42  155.059 255.0520 212.8077 
1 1 1  -24   10   34 o  2063.70   96.692   68.472   6.2482   66.427   7.6263   72.648   10.897  2014.27  121.484  2064.60  170.077 -50.32544 209.0084 
1 1 1  -24   10   36 o  2557.89  103.109  105.899   8.2584   99.024   10.042  120.264   14.515  2445.47  131.629  2639.45  176.644 -193.9783 220.2935 
1 1 1  -24   10   38 o  1674.48  125.780   46.551   6.5467   48.974   9.1050   43.958   9.4199  1673.26  176.441  1565.57  196.486 107.6865 264.0801 
1 1 1  -24   10   40 o  849.820  112.649   12.062   2.9237   10.872   4.0872   13.309   4.1840  775.279  172.780  867.894  159.851 -92.61499 235.3832 
1 1 1  -24   10   42 o  2956.77   96.237  143.345   8.9100  133.692   12.620  152.939   12.582  2772.88  145.858  2990.73  134.352 -217.8540 198.3057 
1 1 1  -24   10   44 o  3705.96  111.860  233.776   12.981  232.068   18.341  235.490   18.373  3525.84  166.131  3555.52  165.031 -29.68628 234.1685 
1 1 1  -24   10   46 o  1226.27  112.583   26.541   4.2746   26.688   5.2319   26.245   7.4135  1190.07  143.281  1046.52  232.297 143.5547 272.9311 
1 1 1  -24   10   48 o  2068.74  106.747   76.834   6.8912   76.424   8.4770   77.633   11.833  1982.34  137.415  1758.56  219.693 223.7902 259.1288 
1 1 1  -24   10   50 o  1555.89  145.248   50.929   6.9945   54.184   9.8230   47.581   9.9618  1343.70  242.384  1157.55  278.276 186.1516 369.0359 
1 1 1  -24   10   52 o  606.973  207.379   12.620   4.7344   18.617   6.5026   5.8555   6.9065  641.164  240.064  402.469  192.662 238.6942 307.8134 
1 1 1  -24   10   54 o  507.855  178.364   8.5993   3.5126   8.4294   4.3253   8.9284   6.0195  451.422  187.020  408.042  190.584 43.37933 267.0179 
1 1 1  -24   10   56 o  1356.38  127.882   44.031   5.3672   43.941   6.4621   44.234   9.6377  1178.16  180.952  583.685  260.200 594.4714 316.9352 
1 1 1  -24   11    1 o  1250.99   95.540   24.959   3.7141   15.320   6.6180   29.391   4.4875  937.742  227.669  1355.21  106.610 -417.4649 251.3937 
1 1 1  -24   11    3 o  832.239  108.273   11.205   2.7547   16.029   4.7612   8.7774   3.3774  982.209  160.344  723.533  153.814 258.6757 222.1911 
1 1 1  -24   11    5 o  754.800  115.128   9.2910   2.6349   6.0412   4.9260   10.593   3.1185  618.439  211.531  803.506  128.260 -185.0672 247.3787 
1 1 1  -24   11    7 o  275.938  116.318   0.1628   1.7172   0.7134   2.5894  -0.2696   2.2943  352.798  145.295  301.699  130.939 51.09946 195.5900 
1 1 1  -24   11    9 o  362.793  129.163   1.8402   1.8476   4.9830   2.9740  -0.1354   2.3579  547.912  162.023  310.123  133.667 237.7886 210.0437 
1 1 1  -24   11   11 o  1612.26   78.468   41.094   3.9614   45.503   5.7828   37.195   5.4376  1685.28  110.190  1521.41  114.992 163.8671 159.2640 
1 1 1  -24   11   13 o  1268.27   80.809   25.547   3.1924   25.848   4.6047   25.269   4.4299  1265.86  117.512  1252.49  114.209 13.37292 163.8685 
1 1 1  -24   11   15 o  956.941   86.215   14.624   2.5556   15.973   3.7358   13.437   3.5037  990.892  123.053  906.495  126.918 84.39783 176.7776 
1 1 1  -24   11   17 o  1066.85   84.656   18.138   2.8048   20.296   4.0116   16.075   3.9230  1120.64  116.002  992.091  129.363 128.5516 173.7560 
1 1 1  -24   11   19 o  1757.22   79.884   48.855   4.3955   46.438   6.2893   51.163   6.1454  1698.56  119.004  1786.58  110.393 -88.01904 162.3223 
1 1 1  -24   11   21 o  1305.18   81.116   27.067   3.2986   25.421   4.7153   28.645   4.6163  1253.20  121.698  1334.32  111.509 -81.12476 165.0597 
1 1 1  -24   11   23 o  1085.93  101.887   18.952   3.4239   20.937   4.2484   15.272   5.7838  1135.99  121.310  938.999  202.656 196.9918 236.1895 
1 1 1  -24   11   25 o  2190.41   94.981   76.355   6.5145   83.473   11.303   72.815   7.9717  2251.08  161.428  2125.54  120.268 125.5420 201.3044 
1 1 1  -24   11   27 o  1725.65   81.336   47.226   4.3950   49.051   6.3941   45.591   6.0509  1742.85  117.858  1680.94  115.666 61.90759 165.1336 
1 1 1  -24   11   29 o  1916.18   93.626   58.565   5.6176   62.360   9.9070   56.767   6.8200  1934.23  165.158  1873.65  116.828 60.58850 202.3017 
1 1 1  -24   11   31 o  1058.32  105.835   18.163   3.4602   20.562   4.3822   14.192   5.6391  1118.37  127.413  893.099  205.866 225.2692 242.1054 
1 1 1  -24   11   33 o  1094.09  102.201   19.403   3.4607   17.632   4.3612   22.415   5.6869  1027.78  139.089  1148.66  162.660 -120.8802 214.0193 
1 1 1  -24   11   35 f  2536.53  103.667  103.833   8.2337  105.037   10.085  101.428   14.258  2528.92  127.776  2418.35  189.814 110.5640 228.8143 
1 1 1  -24   11   37 f  1773.83   85.446   50.399   4.7459   46.916   6.6053   54.116   6.8235  1685.24  126.087  1814.32  120.799 -129.0775 174.6151 
1 1 1  -24   11   39 o  1746.22  102.124   49.720   5.5597   55.436   9.6884   46.913   6.7887  1776.91  176.462  1675.26  130.445 101.6512 219.4414 
1 1 1  -24   11   41 o  1507.62   89.320   37.003   4.1978   36.125   5.8532   37.933   6.0235  1459.47  129.423  1495.30  129.940 -35.83435 183.3974 
1 1 1  -24   11   43 o  1241.81  137.267   27.181   5.2483   27.181   5.2483   0.0000   0.0000  1241.81  137.267  ?   ?  0.000000 137.2666 
1 1 1  -24   11   45 f  524.641  169.328   5.5354   3.1670   8.9467   3.6195  -5.6076   6.5416  664.315  172.479  369.734  179.557 294.5804 248.9778 
1 1 1  -24   11   47 o  692.110  199.445   11.380   4.5586   9.7481   6.6914   12.794   6.2273  573.860  234.625  663.992  237.047 -90.13208 333.5274 
1 1 1  -24   11   49 o  518.948  198.325   7.4347   4.4916   17.524   6.4727  -1.9358   6.2379  733.125  242.405  361.923  175.666 371.2022 299.3636 
1 1 1  -24   11   51 o  376.880  160.640   3.0971   3.3365   0.5427   4.0683   8.3453   5.8313  332.418  155.718  473.210  207.003 -140.7921 259.0335 
1 1 1  -24   11   53 o  539.872  178.861   8.7596   3.5233   6.9843   4.1846   13.083   6.5304  443.905  183.933  490.148  216.567 -46.24359 284.1349 
1 1 1  -24   11   55 o  1181.98  133.960   32.839   4.8704   37.645   5.8638   22.148   8.7458  1178.41  163.304  453.765  217.108 724.6404 271.6690 
1 1 1  -24   12    2 o  992.849  105.972   15.820   3.2436   11.582   5.8012   17.748   3.9123  820.926  220.849  1048.43  121.421 -227.5002 252.0260 
1 1 1  -24   12    4 o  1606.04   81.665   40.831   4.0933   39.166   5.8540   42.424   5.7258  1562.76  120.561  1629.14  112.941 -66.37231 165.1991 
1 1 1  -24   12    6 o  476.659  142.759   3.6988   2.2979   6.1801   2.8356  -1.0482   3.9221  607.658  149.945  378.400  167.480 229.2582 224.7959 
1 1 1  -24   12    8 f  1038.17   88.617   17.172   2.8531   16.543   4.0744   17.776   3.9966  1008.21  132.250  1047.91  124.219 -39.70087 181.4405 
1 1 1  -24   12   10 o  1254.04   79.407   24.930   3.1020   29.704   4.4837   20.546   4.2961  1363.12  105.877  1127.54  123.714 235.5802 162.8349 
1 1 1  -24   12   12 o  953.895   87.266   14.512   2.5776   13.784   3.7182   15.186   3.5765  918.294  133.199  968.156  120.592 -49.86151 179.6788 
1 1 1  -24   12   14 o  1515.05   79.131   36.349   3.7409   39.026   5.3941   33.868   5.1926  1561.64  111.035  1453.05  115.069 108.5876 159.9049 
1 1 1  -24   12   16 f  1881.78   80.018   55.947   4.7149   58.060   6.6755   53.844   6.6603  1905.47  112.381  1833.27  116.631 72.19800 161.9641 
1 1 1  -24   12   18 o  1775.37   80.192   49.812   4.4580   52.358   6.3775   47.379   6.2340  1808.52  113.188  1718.90  116.512 89.61768 162.4399 
1 1 1  -24   12   20 o  1734.73   80.111   47.570   4.3515   45.252   6.2215   49.790   6.0886  1678.28  119.164  1763.78  110.807 -85.49316 162.7214 
1 1 1  -24   12   22 o  833.702  114.644   11.300   2.9136   8.5279   3.6270   16.343   4.8922  709.412  166.193  989.671  163.585 -280.2594 233.1955 
1 1 1  -24   12   24 o  1981.56   81.490   62.153   5.0562   61.994   7.2464   62.305   7.0584  1963.84  118.396  1970.25  114.910 -6.409546 164.9907 
1 1 1  -24   12   26 o  1543.10   83.961   37.857   4.0416   36.696   5.8908   38.890   5.5553  1504.84  126.181  1553.84  114.994 -49.00391 170.7199 
1 1 1  -24   12   28 o  2211.34  119.723   78.918   8.2590   82.175   11.922   75.913   11.452  2221.45  172.757  2134.66  172.814 86.78442 244.3554 
1 1 1  -24   12   30 o  918.196  112.008   13.737   3.1536   13.405   4.0740   14.233   4.9812  893.163  151.059  908.451  181.461 -15.28760 236.1077 
1 1 1  -24   12   32 o  2737.46  103.432  120.273   8.8658  129.940   10.973  102.092   15.048  2830.36  123.809  2436.88  198.939 393.4805 234.3183 
1 1 1  -24   12   34 o  2337.03   86.716   87.163   6.3457   85.577   8.9725   88.749   8.9758  2288.93  125.670  2332.85  123.315 -43.92749 176.0670 
1 1 1  -24   12   36 o  2434.05   88.721   94.833   6.7619   88.975   9.5643  100.688   9.5614  2323.84  131.985  2483.15  122.970 -159.3127 180.3930 
1 1 1  -24   12   38 o  3350.10  118.078  183.867   12.386  188.244   15.187  175.168   21.407  3352.72  144.661  3095.68  222.323 257.0308 265.2438 
1 1 1  -24   12   40 o  1088.50  114.383   19.736   3.8403   15.792   4.7216   27.443   6.6007  942.102  166.128  1239.90  174.871 -297.7955 241.2022 
1 1 1  -24   12   42 o  3302.56  153.253  193.346   15.848  193.346   15.848   0.0000   0.0000  3302.56  153.253  ?   ?  0.000000 153.2526 
1 1 1  -24   12   44 o  2148.59  133.469   82.238   8.9350   74.512   12.410   90.556   12.875  1876.15  215.125  2112.07  196.958 -235.9187 291.6697 
1 1 1  -24   12   46 o  1223.36  150.898   28.863   5.6578   26.105   7.5887   32.315   8.4897  1020.78  241.240  1133.12  246.306 -112.3411 344.7659 
1 1 1  -24   12   48 o  1659.52  109.977   49.776   5.6824   46.978   6.8175   56.144   10.285  1544.50  142.577  1476.64  229.915 67.86169 270.5352 
1 1 1  -24   12   50 o  1261.06  120.975   30.716   4.7183   28.497   5.5895   36.214   8.8003  1137.23  161.506  1017.47  271.270 119.7617 315.7083 
1 1 1  -24   12   52 o  1604.08  114.607   50.684   5.7185   49.099   6.7619   54.664   10.716  1484.57  147.411  1083.24  303.684 401.3326 337.5707 
1 1 1  -24   12   54 o  1347.63  128.338   39.869   5.3501   34.511   6.3743   52.642   9.8416  1074.42  196.719  972.220  296.405 102.2021 355.7444 
1 1 1  -24   13    1 o  508.795  151.767   4.2153   2.6009   3.0700   3.3353   5.9925   4.1548  475.772  173.007  609.101  193.669 -133.3293 259.6900 
1 1 1  -24   13    3 o  531.697  131.960   4.6879   2.1866   4.6142   3.1941   4.7529   2.9998  536.736  169.717  540.202  163.409 -3.465881 235.5977 
1 1 1  -24   13    5 o  328.753  129.794   0.9838   1.9728   1.0871   2.8747   0.8919   2.7124  382.812  154.796  367.384  149.698 15.42838 215.3398 
1 1 1  -24   13    7 o  393.478  146.695   1.9256   2.4230   3.7953   2.9271  -2.1447   4.3188  494.300  162.990  377.103  170.624 117.1977 235.9626 
1 1 1  -24   13    9 o  1117.33   86.401   19.833   2.9994   18.585   4.2631   21.056   4.2207  1071.59  129.691  1144.16  119.577 -72.57056 176.4040 
1 1 1  -24   13   11 o  801.688   96.297   10.316   2.3690   7.7107   3.3184   13.023   3.3830  678.477  158.976  895.776  123.930 -217.2987 201.5741 
1 1 1  -24   13   13 o  985.437   87.454   15.464   2.6705   15.598   3.8404   15.338   3.7159  980.475  128.157  973.006  124.844 7.468689 178.9143 
1 1 1  -24   13   15 o  2055.86   80.457   66.713   5.1793   63.579   7.3556   69.795   7.2942  1994.30  118.320  2092.11  111.751 -97.80798 162.7507 
1 1 1  -24   13   17 o  475.423  134.933   3.7177   2.1020   8.4649   3.1391  -0.1414   2.8303  713.397  145.458  340.367  146.575 373.0304 206.4999 
1 1 1  -24   13   19 o  1691.08   80.202   45.163   4.2468   42.557   6.0215   47.741   5.9905  1629.12  118.863  1728.41  111.278 -99.28845 162.8226 
1 1 1  -24   13   21 o  1840.98   95.981   53.898   5.5137   50.167   6.7562   61.336   9.5408  1767.18  122.860  1939.18  158.513 -171.9984 200.5516 
1 1 1  -24   13   23 o  1386.98   81.949   30.528   3.5432   32.959   5.1091   28.275   4.9181  1432.32  114.883  1324.44  119.890 107.8749 166.0473 
1 1 1  -24   13   25 o  1947.46   94.168   60.242   5.7423   59.034   7.1030   62.520   9.7561  1916.26  118.966  1951.40  161.106 -35.14612 200.2703 
1 1 1  -24   13   27 o  2246.76   97.028   80.358   6.8261   83.900   8.4372   73.646   11.614  2283.74  118.394  2104.06  177.947 179.6804 213.7339 
1 1 1  -24   13   29 o  2153.97   97.323   73.972   6.5641   73.930   8.1686   74.048   11.028  2138.97  122.472  2112.06  168.148 26.90063 208.0218 
1 1 1  -24   13   31 o  2497.06  100.370   99.696   7.8479  103.065   9.7091   93.346   13.329  2525.91  122.756  2355.14  182.166 170.7644 219.6668 
1 1 1  -24   13   33 o  1026.77  118.833   17.242   3.7499   14.369   4.6163   22.816   6.4298  917.371  166.854  1152.04  184.468 -234.6658 248.7340 
1 1 1  -24   13   35 o  1474.98  103.696   35.157   4.7588   33.296   5.8568   38.772   8.1633  1420.99  133.184  1507.02  176.327 -86.02966 220.9734 
1 1 1  -24   13   37 f  2306.76  124.247   87.416   8.9413   87.416   8.9413   0.0000   0.0000  2306.76  124.247  ?   ?  0.000000 124.2473 
1 1 1  -24   13   39 o  786.242  145.653   10.717   3.4538   12.358   4.1683   7.1211   6.1691  834.908  165.291  632.702  234.428 202.2064 286.8412 
1 1 1  -24   13   41 o  781.901  182.508   11.534   4.3870   3.1139   6.1460   20.281   6.2641  515.609  218.848  1026.29  202.117 -510.6819 297.9025 
1 1 1  -24   13   43 o  1917.15  131.527   64.524   7.8479   58.845   11.293   69.827   10.914  1680.14  219.949  1896.49  186.180 -216.3539 288.1676 
1 1 1  -24   13   45 o  2370.61  106.429   96.768   7.9002   90.446   9.6321  109.763   13.809  2218.91  139.340  2293.26  194.132 -74.34473 238.9617 
1 1 1  -24   13   47 o  760.268  165.011   11.971   3.8155   12.647   4.5825   10.445   6.8889  742.320  194.726  588.675  239.071 153.6442 308.3397 
1 1 1  -24   13   49 o  428.865  174.133   4.0370   3.6539   7.1911   4.1537  -6.7540   7.6831  524.817  192.730  353.003  175.727 171.8143 260.8157 
1 1 1  -24   13   51 o  1088.14  138.353   24.602   4.6074   19.587   5.3007   40.099   9.3185  856.754  201.046  1013.10  282.902 -156.3436 347.0634 
1 1 1  -24   13   53 o  430.312  172.231   5.5533   3.5194   2.8214   3.9080   17.278   8.0960  356.748  161.778  512.833  232.671 -156.0847 283.3863 
1 1 1  -24   13   55 o  1471.26  126.583   48.436   5.7747   46.151   6.8464   54.072   10.750  1278.09  175.722  759.071  301.934 519.0192 349.3457 
1 1 1  -24   14    2 o  1522.16   82.948   36.637   3.9386   36.458   5.5424   36.820   5.5980  1510.79  118.098  1518.18  118.703 -7.390259 167.4442 
1 1 1  -24   14    4 o  751.287  109.428   9.1257   2.4986   3.5762   3.5013   14.885   3.5668  501.296  177.875  960.559  121.292 -459.2628 215.2935 
1 1 1  -24   14    6 o  239.578  109.631  -1.2534   1.8472   1.1509   2.7837  -3.1450   2.4691  380.818  152.909  245.263  116.796 135.5548 192.4122 
1 1 1  -24   14    8 o  816.366  118.408   10.798   2.9385   12.686   3.6401   7.2660   4.9786  881.878  136.211  668.075  211.957 213.8023 251.9512 
1 1 1  -24   14   10 o  939.507   91.397   14.071   2.6547   12.700   3.7653   15.427   3.7434  880.943  141.275  976.876  125.266 -95.93262 188.8128 
1 1 1  -24   14   12 o  900.717   97.874   12.982   2.7160   17.055   3.7798   8.6334   3.9052  1029.08  119.528  716.736  175.427 312.3456 212.2771 
1 1 1  -24   14   14 o  434.232  138.812   2.9606   2.1323  -1.2955   3.0261   7.1576   3.0050  322.347  144.596  655.321  149.720 -332.9738 208.1445 
1 1 1  -24   14   16 o  1354.45   83.770   29.067   3.5353   31.209   4.9534   26.843   5.0474  1396.74  114.258  1291.48  126.435 105.2634 170.4136 
1 1 1  -24   14   18 o  792.990  108.657   10.165   2.6270   10.878   3.8017   9.5135   3.6343  808.950  155.737  754.616  158.835 54.33362 222.4471 
1 1 1  -24   14   20 f  923.031  109.306   13.726   3.0979   15.061   3.8278   11.192   5.2738  962.027  130.435  808.107  207.383 153.9196 244.9919 
1 1 1  -24   14   22 o  418.405  147.284   2.5164   2.3959  -0.8838   3.0872   7.6662   3.7993  335.286  148.484  672.991  177.678 -337.7045 231.5534 
1 1 1  -24   14   24 o  2161.17   96.683   74.148   6.5427   74.361   8.0809   73.743   11.148  2152.99  120.349  2119.35  169.398 33.64746 207.7968 
1 1 1  -24   14   26 o  2416.29  100.476   92.897   7.6020   93.140   9.3422   92.422   13.079  2406.22  124.418  2364.31  177.972 41.91431 217.1492 
1 1 1  -24   14   28 o  927.816  115.438   13.986   3.2812   12.628   4.2359   16.023   5.1883  866.118  162.149  972.602  176.876 -106.4842 239.9534 
1 1 1  -24   14   30 o  1360.49   98.496   29.653   4.1675   28.297   5.2103   32.060   6.9439  1318.68  127.787  1388.76  162.771 -70.07629 206.9393 
1 1 1  -24   14   32 o  1294.23  105.726   26.990   4.2472   24.261   5.2636   32.083   7.1901  1213.15  141.207  1382.90  169.599 -169.7516 220.6886 
1 1 1  -24   14   34 o  932.484  132.469   14.411   3.7591   13.033   4.6135   17.133   6.4843  868.676  175.650  978.176  217.348 -109.5001 279.4510 
1 1 1  -24   14   36 o  2444.52  103.789   96.353   7.9444   93.919   9.7929  101.038   13.587  2389.58  131.385  2428.72  179.941 -39.13525 222.8016 
1 1 1  -24   14   38 o  1795.65  124.715   53.474   6.9688   58.316   9.9892   48.882   9.7267  1825.56  176.973  1656.39  191.037 169.1689 260.4128 
1 1 1  -24   14   40 o  2047.21  127.170   70.806   8.1117   68.263   11.505   73.320   11.438  1920.46  193.983  2005.54  184.205 -85.08606 267.5088 
1 1 1  -24   14   42 o  297.117  136.307  -1.3212   2.8807  -2.5265   3.3587   2.0322   5.6024  299.120  140.556  469.774  204.249 -170.6538 247.9385 
1 1 1  -24   14   44 o  1326.16  111.574   30.366   4.5901   28.534   5.6406   33.958   7.8976  1243.55  147.750  1276.51  204.488 -32.96106 252.2808 
1 1 1  -24   14   46 o  679.958  168.881   9.5197   3.5794   5.8868   4.2579   18.274   6.6094  517.378  194.151  845.406  239.030 -328.0279 307.9447 
1 1 1  -24   14   48 o  867.229  150.649   15.109   3.9424   13.830   4.6737   18.263   7.3407  769.203  194.057  748.083  258.122 21.12067 322.9320 
1 1 1  -24   14   50 o  1263.98  124.153   30.820   4.8504   27.539   5.8251   38.237   8.7586  1102.88  174.484  1110.61  256.960 -7.728149 310.6018 
1 1 1  -24   14   52 o  1487.94  119.020   43.763   5.4988   37.479   6.6043   57.966   9.9285  1243.18  174.461  1340.43  245.601 -97.25745 301.2579 
1 1 1  -24   14   54 o  786.424  180.931   17.116   4.3627   15.200   5.2224   21.543   7.9370  614.573  217.327  554.555  242.073 60.01807 325.3160 
1 1 1  -24   15    1 o  448.797  144.761   3.1379   2.3150   0.7416   3.1400   5.9912   3.4265  386.048  159.594  602.458  172.712 -216.4107 235.1586 
1 1 1  -24   15    3 o  388.752  141.194   1.9990   2.2205   1.1481   3.1165   2.8764   3.1646  398.041  161.097  463.362  168.517 -65.32062 233.1309 
1 1 1  -24   15    5 o  776.093  111.557   9.7306   2.6331   4.8179   3.7087   14.724   3.7389  556.362  183.467  954.065  128.417 -397.7033 223.9436 
1 1 1  -24   15    7 o  457.746  139.506   3.3597   2.1804   4.0168   2.9568   2.5764   3.2281  506.260  163.634  453.958  169.306 52.30188 235.4582 
1 1 1  -24   15    9 o  713.548  136.365   8.3756   2.9357   11.451   3.6028   2.2981   5.0644  835.853  142.783  514.551  206.373 321.3013 250.9516 
1 1 1  -24   15   11 f  654.611  120.826   7.0152   2.3854   10.154   3.5270   4.3691   3.2383  784.337  149.060  527.579  171.315 256.7579 227.0850 
1 1 1  -24   15   13 o  1071.70   91.236   18.265   3.0325   16.410   4.3475   20.024   4.2321  1003.95  142.279  1115.68  123.198 -111.7319 188.2051 
1 1 1  -24   15   15 o  783.752  108.072   9.9145   2.5817   5.6738   3.5505   14.672   3.7606  588.670  177.712  951.168  129.642 -362.4986 219.9742 
1 1 1  -24   15   17 o  305.141  130.391  -0.0188   2.2083  -0.6513   3.1516   0.5913   3.0953  346.076  151.764  378.202  157.572 -32.12662 218.7722 
1 1 1  -24   15   19 o  774.802  155.811   9.9927   3.6491   9.9927   3.6491   0.0000   0.0000  774.802  155.811  ?   ?  0.000000 155.8111 
1 1 1  -24   15   21 o  502.156  154.050   4.0855   2.6532   4.0779   3.2492   4.1008   4.5965  513.333  171.817  549.127  202.574 -35.79395 265.6263 
1 1 1  -24   15   23 o  844.358  123.659   11.617   3.1725   9.1278   3.9090   16.422   5.4302  734.857  172.788  988.410  182.166 -253.5524 251.0781 
1 1 1  -24   15   25 o  1397.79   99.360   31.176   4.3205   30.998   5.4345   31.483   7.1224  1385.70  126.650  1381.12  168.165 4.576050 210.5229 
1 1 1  -24   15   27 o  1327.02   98.148   28.129   4.0493   30.689   5.0680   23.607   6.7341  1380.38  118.397  1183.73  187.964 196.6465 222.1445 
1 1 1  -24   15   29 o  2271.79  101.178   82.185   7.1973   80.406   8.9047   85.536   12.223  2232.52  127.915  2275.68  172.827 -43.15479 215.0146 
1 1 1  -24   15   31 o  948.869  125.458   14.732   3.6361   16.191   4.4021   11.600   6.4507  988.079  146.740  808.320  238.507 179.7596 280.0322 
1 1 1  -24   15   33 o  2449.96  104.002   96.134   7.9784   94.916   9.7609   98.586   13.849  2416.45  129.473  2418.07  184.298 -1.625244 225.2309 
1 1 1  -24   15   35 o  1803.92  128.095   53.327   7.1884   50.854   10.211   55.757   10.122  1713.78  193.678  1805.43  181.499 -91.65503 265.4303 
1 1 1  -24   15   37 o  1381.73  135.100   31.940   5.7703   32.605   8.0162   31.224   8.3129  1351.80  195.023  1310.56  209.637 41.24451 286.3242 
1 1 1  -24   15   39 o  2564.45  107.446  108.116   8.6278  106.570   10.588  111.172   14.886  2508.53  135.292  2466.37  194.323 42.16528 236.7812 
1 1 1  -24   15   41 o  1896.28  134.196   62.160   7.9167   58.717   11.206   65.591   11.186  1729.64  211.296  1854.62  195.572 -124.9818 287.9140 
1 1 1  -24   15   43 o  1061.82  126.971   19.812   4.1378   20.926   5.0903   17.642   7.1043  1061.81  157.909  866.696  248.758 195.1162 294.6457 
1 1 1  -24   15   45 o  936.081  137.322   16.108   3.9054   10.099   4.5858   31.970   7.4510  675.213  201.546  1231.06  200.170 -555.8461 284.0577 
1 1 1  -24   15   47 f  840.454  159.193   14.174   4.0361   14.376   4.8101   13.694   7.4191  801.922  193.730  660.284  254.266 141.6380 319.6597 
1 1 1  -24   15   49 o  1804.46  112.613   59.435   6.3311   54.690   7.6303   69.921   11.343  1644.55  149.819  1649.90  225.457 -5.351440 270.6961 
1 1 1  -24   15   51 o  411.606  172.789   3.9210   3.7639   0.0560   4.4267   14.008   7.1514  341.212  160.655  575.216  239.570 -234.0044 288.4505 
1 1 1  -24   16    2 o  633.148  176.788   6.6442   3.6391   0.0000   0.0000   6.6442   3.6391  ?   ?   633.148  176.788 0.000000 176.7876 
1 1 1  -24   16    4 o  668.110  142.691   7.3785   2.8944   10.925   4.6684   5.1639   3.6890  807.042  188.199  570.623  182.600 236.4188 262.2246 
1 1 1  -24   16    6 o  325.581  139.022  -0.0159   2.5070  -6.5432   3.9966   4.2189   3.2191  291.474  141.271  521.362  170.880 -229.8881 221.7148 
1 1 1  -24   16    8 o  908.994  156.109   13.575   4.2832   17.116   5.5544   8.3787   6.7276  1016.35  181.177  730.183  247.218 286.1720 306.4993 
1 1 1  -24   16   10 o  1562.55   99.698   38.735   4.8525   42.609   5.8613   30.296   8.6513  1635.62  115.180  1348.72  211.834 286.8982 241.1228 
1 1 1  -24   16   12 o  870.095  124.724   12.264   3.3009   10.304   3.9383   16.892   6.0517  787.005  165.085  1003.49  199.620 -216.4827 259.0390 
1 1 1  -24   16   14 o  1629.25   98.784   42.114   5.0157   44.135   6.0685   37.757   8.9105  1663.62  117.246  1514.49  192.224 149.1216 225.1592 
1 1 1  -24   16   16 o  817.760  125.574   10.875   3.1127   10.939   3.8037   10.746   5.4157  813.090  155.058  795.862  213.081 17.22821 263.5269 
1 1 1  -24   16   18 o  749.929  169.837   9.4228   3.8955   9.4228   3.8955   0.0000   0.0000  749.929  169.837  ?   ?  0.000000 169.8366 
1 1 1  -24   16   20 o  396.341  154.504   1.6089   2.7654   1.3504   3.4769   2.0539   4.5623  420.861  170.218  487.408  195.739 -66.54773 259.3987 
1 1 1  -24   16   22 o  2167.66  100.678   74.474   6.8335   82.916   8.3722   57.623   11.828  2279.26  117.710  1861.16  206.438 418.1062 237.6390 
1 1 1  -24   16   24 o  1228.17  104.502   24.114   3.9806   22.761   4.8536   26.895   6.9572  1185.33  133.068  1273.55  179.436 -88.21887 223.3924 
1 1 1  -24   16   26 o  3751.37  153.959  227.528   18.085  208.651   25.651  246.186   25.501  3513.78  234.481  3842.47  212.782 -328.6892 316.6349 
1 1 1  -24   16   28 o  1249.01  105.671   25.000   4.0940   25.443   5.0247   24.126   7.0614  1252.83  129.976  1194.71  195.526 58.12183 234.7858 
1 1 1  -24   16   30 f  2509.74  103.346  100.391   8.1216  100.919   9.9116   99.314   14.168  2502.17  126.921  2441.98  186.707 60.19019 225.7619 
1 1 1  -24   16   32 o  2278.10  129.413   84.181   9.1934   70.432   13.017   97.864   12.986  2028.31  207.888  2425.16  172.127 -396.8481 269.8986 
1 1 1  -24   16   34 o  1414.74  133.314   32.942   5.8360   29.703   8.4590   35.884   8.0621  1293.66  216.473  1448.15  181.803 -154.4927 282.6888 
1 1 1  -24   16   36 o  910.064  132.283   13.909   3.6592   12.671   4.4588   16.465   6.4038  848.065  173.751  940.581  221.154 -92.51605 281.2443 
1 1 1  -24   16   38 o  839.556  149.311   12.285   3.7813   12.146   4.4980   12.621   6.9823  816.401  180.729  787.846  251.124 28.55530 309.3961 
1 1 1  -24   16   40 o  1012.96  130.075   17.641   4.0304   15.509   4.7684   22.976   7.5422  919.640  171.911  1062.89  233.041 -143.2485 289.5885 
1 1 1  -24   16   42 o  1248.61  150.725   28.074   5.7737   24.074   7.8469   32.796   8.5258  1050.08  243.397  1259.31  224.445 -209.2284 331.0853 
1 1 1  -24   16   44 o  1310.30  113.998   29.686   4.6306   24.119   5.4621   43.912   8.7309  1133.25  158.245  1475.23  193.689 -341.9838 250.1142 
1 1 1  -24   16   46 o  566.249  184.566   6.9074   3.7573   4.6883   4.6183   11.252   6.4619  486.148  196.335  649.031  240.036 -162.8825 310.1045 
1 1 1  -24   16   48 o  971.584  154.578   18.855   4.5451   14.095   5.4104   30.269   8.3786  745.266  218.011  1041.85  258.151 -296.5851 337.8917 
1 1 1  -24   16   50 f  908.989  166.612   17.956   4.5675   20.054   5.4153   12.786   8.5017  913.690  195.209  553.808  245.776 359.8817 313.8674 
1 1 1  -24   17    1 o  359.171  152.037   0.1850   2.9534   0.1850   2.9534   0.0000   0.0000  359.171  152.037  ?   ?  0.000000 152.0366 
1 1 1  -24   17    3 o  526.347  191.061   3.7529   4.0652  -1.7263   5.4072   10.876   6.1651  439.924  195.584  805.220  231.913 -365.2962 303.3755 
1 1 1  -24   17    5 o  652.066  177.188   7.0585   3.7121   6.9412   4.3871   7.3543   6.9653  652.036  197.700  706.695  250.870 -54.65820 319.4070 
1 1 1  -24   17    7 o  822.392  154.117   11.135   3.8229   5.4915   4.7111   22.014   6.5413  603.617  206.866  1155.23  187.243 -551.6129 279.0223 
1 1 1  -24   17    9 o  1025.49  145.167   17.077   4.5311   16.614   5.9493   17.716   6.9923  997.361  197.489  1023.32  224.398 -25.95898 298.9254 
1 1 1  -24   17   11 o  651.914  175.262   7.0681   3.6549   5.2667   4.5738   10.251   6.0793  592.394  203.785  783.071  231.675 -190.6774 308.5478 
1 1 1  -24   17   13 o  1182.00  136.598   22.525   4.9625   21.992   6.6999   23.174   7.3864  1151.88  192.554  1178.14  207.821 -26.26221 283.3131 
1 1 1  -24   17   15 o  937.563  149.904   14.381   4.2526   14.216   5.5375   14.617   6.6394  919.598  198.153  925.818  230.043 -6.219788 303.6191 
1 1 1  -24   17   17 o  351.241  153.522  -0.5896   3.2016  -0.7628   3.9980  -0.2799   5.3457  390.724  171.148  464.669  200.768 -73.94540 263.8166 
1 1 1  -24   17   19 f  1249.06  126.056   25.064   4.8628   19.162   6.6073   32.039   7.1827  1067.41  205.137  1401.53  166.954 -334.1169 264.4899 
1 1 1  -24   17   21 o  907.269  133.410   13.398   3.6769   14.231   4.4269   11.546   6.6021  929.054  157.821  823.350  240.820 105.7040 287.9269 
1 1 1  -24   17   23 o  812.339  142.031   10.857   3.4812   11.800   4.1226   8.5131   6.4986  842.411  162.175  726.345  242.989 116.0661 292.1375 
1 1 1  -24   17   25 o  326.793  151.708  -3.0716   3.7228  -2.1763   5.0890  -4.1023   5.4601  413.785  186.399  399.054  184.713 14.73120 262.4189 
1 1 1  -24   17   27 o  2256.05  126.771   81.683   8.9191   84.406   12.574   78.925   12.654  2266.69  178.604  2186.78  186.583 79.91162 258.2878 
1 1 1  -24   17   29 o  2273.48  128.251   83.259   9.0927   97.220   12.966   69.748   12.755  2431.13  171.421  2037.81  202.574 393.3181 265.3705 
1 1 1  -24   17   31 o  2666.65  132.314  114.989   11.048  119.431   15.616  110.538   15.633  2669.49  188.017  2560.05  196.520 109.4351 271.9749 
1 1 1  -24   17   33 o  2861.41  109.155  131.778   9.7801  126.087   11.912  143.549   17.132  2777.29  136.974  2903.32  189.489 -126.0217 233.8113 
1 1 1  -24   17   35 o  1028.26  125.539   17.542   3.9581   20.722   4.8193   10.952   6.9379  1110.51  141.834  762.599  250.907 347.9131 288.2209 
1 1 1  -24   17   37 o  1219.65  118.828   24.703   4.4804   25.039   5.3466   23.910   8.2106  1212.53  143.613  1105.98  243.667 106.5542 282.8395 
1 1 1  -24   17   39 o  752.510  165.448   10.266   3.7923   13.701   4.4444   1.0689   7.2722  869.920  169.253  511.069  227.036 358.8504 283.1819 
1 1 1  -24   17   41 o  1060.98  133.213   19.560   4.3280   16.743   5.1072   26.738   8.1520  944.533  179.240  1132.89  237.403 -188.3541 297.4682 
1 1 1  -24   17   43 f  781.253  213.221   12.941   5.3617   11.918   7.3064   14.136   7.8927  701.706  255.926  748.811  266.917 -47.10522 369.7879 
1 1 1  -24   17   45 o  672.065  181.983   9.2940   3.9239   8.6420   4.5871   11.072   7.5758  626.944  203.910  647.586  254.766 -20.64215 326.3202 
1 1 1  -24   17   47 o  432.470  176.175   3.2603   3.7555   3.1152   4.2191   3.8139   8.2410  435.313  182.851  493.685  227.956 -58.37152 292.2301 
1 1 1  -24   17   49 o  1153.21  136.602   25.602   4.8368   26.893   5.6768   22.180   9.2392  1138.46  163.977  743.549  284.375 394.9081 328.2650 
1 1 1  -24   18    2 o  523.929  171.035   4.2502   3.2262   2.2619   3.6019   12.316   7.2549  458.764  177.025  857.422  252.921 -398.6580 308.7176 
1 1 1  -24   18    4 o  392.734  173.875  -1.2707   4.2303  -5.8143   5.2521   7.1212   7.1379  367.608  173.661  705.349  253.577 -337.7412 307.3423 
1 1 1  -24   18    6 o  985.504  130.156   15.661   3.9182   12.261   4.4597   27.163   8.2038  860.860  171.469  1279.85  212.138 -418.9932 272.7709 
1 1 1  -24   18    8 o  801.274  149.276   10.541   3.6075   12.622   4.1443   4.0345   7.3291  876.977  156.670  632.974  250.085 244.0032 295.1062 
1 1 1  -24   18   10 o  606.415  177.196   6.0189   3.5760   6.0189   3.5760   0.0000   0.0000  606.415  177.196  ?   ?  0.000000 177.1957 
1 1 1  -24   18   12 o  358.083  152.883  -0.0067   3.0312  -3.3723   3.4493   11.406   6.3517  306.749  143.595  823.815  234.813 -517.0660 275.2390 
1 1 1  -24   18   14 o  1141.89  142.330   21.067   4.9786   23.795   6.3763   16.806   7.9684  1206.09  173.859  990.704  255.279 215.3873 308.8600 
1 1 1  -24   18   16 o  1094.12  146.869   19.416   4.9047   21.831   6.1344   15.136   8.1660  1153.40  175.378  940.433  265.618 212.9638 318.2927 
1 1 1  -24   18   18 o  756.602  185.072   9.5983   4.3484   10.811   5.6957   7.9043   6.7326  800.400  220.308  716.571  247.203 83.82941 331.1265 
1 1 1  -24   18   20 o  1434.44  135.208   33.058   6.0013   45.968   8.2743   18.729   8.7172  1686.19  158.576  1039.23  266.586 646.9620 310.1846 
1 1 1  -24   18   22 o  1710.81  124.426   46.796   6.6198   41.151   8.9547   53.598   9.8300  1584.07  183.961  1813.82  175.261 -229.7555 254.0826 
1 1 1  -24   18   24 o  816.049  250.504   11.309   7.0147   0.0000   0.0000   11.309   7.0147  ?   ?   816.049  250.504 0.000000 250.5036 
1 1 1  -24   18   26 o  1705.65  189.727   48.163   9.9612   0.0000   0.0000   48.163   9.9612  ?   ?   1705.65  189.727 0.000000 189.7267 
1 1 1  -24   18   28 o  841.822  247.380   12.431   6.9522   0.0000   0.0000   12.431   6.9522  ?   ?   841.822  247.380 0.000000 247.3796 
1 1 1  -24   18   30 o  625.281  197.548   6.5660   4.3282   7.9826   5.7752   4.7507   6.5376  688.751  229.031  610.011  237.625 78.73975 330.0313 
1 1 1  -24   18   32 o  2200.76  129.494   78.956   8.8843   72.861   12.397   85.392   12.738  2063.93  194.106  2246.02  182.712 -182.0891 266.5721 
1 1 1  -24   18   34 o  768.341  166.534   10.281   3.8910   5.7333   4.6782   20.489   7.0084  587.694  205.873  1061.32  218.179 -473.6295 299.9768 
1 1 1  -24   18   36 o  1298.01  117.354   27.813   4.7181   24.366   5.7080   35.247   8.3830  1190.70  156.919  1402.56  196.255 -211.8640 251.2758 
1 1 1  -24   18   38 o  1161.91  128.601   22.789   4.6003   21.192   5.4881   26.563   8.4361  1095.43  165.131  1160.72  240.036 -65.28918 291.3512 
1 1 1  -24   18   40 o  1616.18  111.392   43.568   5.6028   41.369   6.6834   48.767   10.277  1548.42  139.337  1592.99  211.234 -44.56763 253.0509 
1 1 1  -24   18   42 o  883.559  177.561   14.789   4.7420   14.789   4.7420   0.0000   0.0000  883.559  177.561  ?   ?  0.000000 177.5606 
1 1 1  -24   18   44 o  562.434  214.088   6.4805   5.2208   10.310   6.9678   1.5786   7.8834  656.915  247.980  496.927  227.048 159.9881 336.2208 
1 1 1  -24   18   46 o  665.553  192.871   9.5340   4.2523   8.9200   4.8390   11.616   8.9101  625.592  209.676  634.306  266.042 -8.713623 338.7365 
1 1 1  -24   18   48 o  440.778  180.670   3.6025   3.9803   2.2902   4.4694   8.6333   8.7508  415.218  181.440  549.600  246.257 -134.3820 305.8807 
1 1 1  -24   19    1 o  553.791  181.844   4.7341   3.6449   4.5184   3.9368   6.0285   9.6450  551.966  189.102  736.967  288.197 -185.0016 344.6986 
1 1 1  -24   19    3 o  837.951  162.272   11.561   4.1039   14.097   4.4796  -1.6852   10.237  928.069  159.923  621.308  272.966 306.7614 316.3638 
1 1 1  -24   19    5 o  406.645  181.191  -1.6876   4.6674  -4.1800   5.6288   3.7977   8.3504  409.678  188.896  658.444  264.675 -248.7659 325.1680 
1 1 1  -24   19    7 o  437.510  171.894   1.8221   3.4445   4.4517   3.7142 -14.3379   9.2075  544.037  183.692  445.012  215.369 99.02530 283.0669 
1 1 1  -24   19    9 o  1225.16  120.849   23.971   4.5757   25.090   5.1598   19.848   9.9011  1251.02  133.793  1075.19  288.216 175.8389 317.7558 
1 1 1  -24   19   11 f  1284.92  118.870   26.334   4.7284   26.621   5.4009   25.392   9.7850  1288.34  135.932  1221.37  263.590 66.97888 296.5754 
1 1 1  -24   19   13 o  1612.94  110.171   41.294   5.5309   39.287   6.3538   47.573   11.238  1568.70  130.537  1701.07  215.834 -132.3691 252.2388 
1 1 1  -24   19   15 o  1995.30  106.634   63.070   6.6381   62.387   7.7996   64.866   12.643  1979.73  126.481  1992.69  205.586 -12.95496 241.3774 
1 1 1  -24   19   17 o  311.428  145.943  -3.5503   3.5795  -3.5503   3.5795   0.0000   0.0000  311.428  145.943  ?   ?  0.000000 145.9429 
1 1 1  -24   19   19 o  2551.78  107.052  103.001   8.5537   97.033   10.256  116.636   15.502  2466.39  133.300  2682.18  185.723 -215.7905 228.6081 
1 1 1  -24   19   21 o  503.849  213.964   0.5448   5.8794   0.5448   5.8794   0.0000   0.0000  503.849  213.964  ?   ?  0.000000 213.9636 
1 1 1  -24   19   23 o  1125.61  256.937   22.013   8.8565   0.0000   0.0000   22.013   8.8565  ?   ?   1125.61  256.937 0.000000 256.9371 
1 1 1  -24   19   25 o  1010.34  263.184   18.006   8.4093   0.0000   0.0000   18.006   8.4093  ?   ?   1010.34  263.184 0.000000 263.1844 
1 1 1  -24   19   27 o  1289.69  137.775   27.060   5.4777   27.511   7.1535   26.420   8.5170  1282.63  183.330  1235.76  228.526 46.86707 292.9745 
1 1 1  -24   19   29 o  528.779  188.417   4.1700   3.9325   1.9920   4.8273   8.4672   6.7806  489.305  199.580  714.616  247.994 -225.3114 318.3291 
1 1 1  -24   19   31 o  372.201  166.808  -1.3385   4.0176  -6.0632   5.0905   6.4651   6.5422  348.623  166.480  648.221  241.169 -299.5973 293.0499 
1 1 1  -24   19   33 o  1020.03  173.080   17.940   5.3305   31.661   7.0814  -0.0000   8.0973  1363.35  169.542  544.801  240.911 818.5523 294.5890 
1 1 1  -24   19   35 o  670.959  195.173   8.1237   4.3471  -0.5958   5.4297   23.691   7.2551  441.907  196.251  1141.60  210.724 -699.6904 287.9565 
1 1 1  -24   19   37 o  407.755  178.243   0.0880   4.3167   3.3316   5.4594  -5.3220   7.0506  522.201  212.536  425.821  201.176 96.37982 292.6491 
1 1 1  -24   19   39 o  1359.99  150.518   32.104   6.3023   26.191   8.4625   39.468   9.4435  1140.74  244.284  1440.27  216.063 -299.5371 326.1255 
1 1 1  -24   19   41 o  478.974  190.786   3.3161   4.2977   3.4498   5.1825   3.0218   7.6904  501.958  206.001  542.725  237.558 -40.76703 314.4362 
1 1 1  -24   19   43 o  477.760  196.639   3.2443   4.7392   2.8742   5.8980   3.9187   7.9616  492.899  211.921  546.005  240.283 -53.10654 320.3845 
1 1 1  -24   19   45 o  887.115  294.111   22.437   9.5262   0.0000   0.0000   22.437   9.5262  ?   ?   887.115  294.111 0.000000 294.1111 
1 1 1  -24   19   47 o  555.813  214.152   7.1305   5.2651   12.597   6.6130  -2.3342   8.7015  685.834  244.338  442.825  213.080 243.0091 324.1979 
1 1 1  -24   20    2 o  599.932  193.822   5.6466   4.1488   5.6466   4.1488   0.0000   0.0000  599.932  193.822  ?   ?  0.000000 193.8219 
1 1 1  -24   20    4 o  1117.36  148.131   20.173   5.0549   20.173   5.0549   0.0000   0.0000  1117.36  148.131  ?   ?  0.000000 148.1310 
1 1 1  -24   20    6 o  905.208  265.814   13.739   8.0295   13.739   8.0295   0.0000   0.0000  905.208  265.814  ?   ?  0.000000 265.8139 
1 1 1  -24   20    8 o  888.076  160.394   12.935   4.2961   10.979   4.6320   24.971   11.490  812.077  186.141  1202.20  304.808 -390.1275 357.1505 
1 1 1  -24   20   10 o  747.578  177.310   9.2934   4.0877   9.4745   4.4092   8.1854   10.905  754.032  187.530  807.553  308.931 -53.52112 361.3945 
1 1 1  -24   20   12 f  616.570  174.815   6.2459   3.5301   5.9362   3.7662   8.4870   10.131  605.560  183.079  797.879  299.468 -192.3185 350.9976 
1 1 1  -24   20   14 o  601.000  186.344   5.8010   3.8706   7.7352   4.2555  -3.4618   9.3125  683.385  191.303  565.063  253.551 118.3217 317.6241 
1 1 1  -24   20   16 o  1426.21  135.411   32.600   5.9747   32.600   5.9747   0.0000   0.0000  1426.21  135.411  ?   ?  0.000000 135.4109 
1 1 1  -24   20   18 o  613.492  218.558   5.4084   5.2911   8.0152   6.6194   0.7951   8.8056  718.591  245.212  611.473  260.809 107.1180 357.9807 
1 1 1  -24   20   20 o  861.979  205.027   12.570   5.4532   12.613   7.1900   12.511   8.3671  860.774  251.184  863.430  274.866 -2.655273 372.3501 
1 1 1  -24   20   22 o  647.822  199.459   6.9015   4.4434   10.153   5.3507  -0.3241   7.9758  773.370  213.804  561.260  243.864 212.1094 324.3173 
1 1 1  -24   20   24 o  881.488  149.530   12.831   3.9798   15.551   4.5285   3.6051   8.3406  971.037  154.084  641.084  262.010 329.9539 303.9591 
1 1 1  -24   20   26 o  1366.65  111.292   29.972   4.7212   24.321   5.4919   45.975   9.2416  1218.83  146.857  1665.18  180.113 -446.3547 232.3949 
1 1 1  -24   20   28 o  849.695  158.060   12.134   4.0506   11.516   4.5905   14.308   8.6081  818.955  183.556  888.518  278.291 -69.56287 333.3750 
1 1 1  -24   20   30 o  672.896  184.506   7.8438   4.0038   6.9995   4.6965   10.090   7.6599  641.694  206.106  761.515  263.622 -119.8215 334.6286 
1 1 1  -24   20   32 o  953.546  184.892   15.829   5.3212   9.7640   6.6489   26.635   8.8748  738.346  245.757  1205.15  243.560 -466.7990 346.0029 
1 1 1  -24   20   34 o  323.060  153.789  -4.7581   4.2731  -9.6319   5.2682   4.6146   7.3058  314.837  154.638  606.047  246.171 -291.2094 290.7115 
1 1 1  -24   20   36 o  619.055  208.560   6.7959   4.7878   2.4507   6.0360   14.169   7.8624  521.473  218.857  841.356  266.301 -319.8823 344.6945 
1 1 1  -24   20   38 o  985.344  185.650   17.602   5.5178   14.972   6.9904   21.948   8.9874  862.780  246.480  1022.16  274.844 -159.3809 369.1772 
1 1 1  -24   20   40 o  625.712  214.852   7.4498   5.0829   8.8953   6.3915   4.9628   8.3837  670.063  240.053  598.570  254.874 71.49347 350.1231 
1 1 1  -24   20   42 o  1334.78  154.357   31.737   6.3324   31.072   8.1024   32.782   10.150  1256.01  213.669  1210.64  274.135 45.36951 347.5697 
1 1 1  -24   20   44 o  724.424  209.274   10.990   5.0134   9.8949   6.0603   13.365   8.9235  666.737  234.277  719.824  278.391 -53.08691 363.8501 
1 1 1  -24   21    1 o  995.591  164.155   16.234   4.9390   18.792   5.4256   3.8603   11.933  1072.09  167.065  750.159  310.699 321.9355 352.7665 
1 1 1  -24   21    3 o  469.520  185.883   2.0119   4.0567   2.0119   4.0567   0.0000   0.0000  469.520  185.883  ?   ?  0.000000 185.8828 
1 1 1  -24   21    5 o  365.734  163.996  -1.6858   3.8887  -1.6858   3.8887   0.0000   0.0000  365.734  163.996  ?   ?  0.000000 163.9960 
1 1 1  -24   21    9 o  493.643  184.150   3.0252   3.8194   3.0252   3.8194   0.0000   0.0000  493.643  184.150  ?   ?  0.000000 184.1500 
1 1 1  -24   21   11 o  296.544  138.834  -3.1793   3.2261  -3.1793   3.2261   0.0000   0.0000  296.544  138.834  ?   ?  0.000000 138.8344 
1 1 1  -24   21   13 o  352.904  160.185  -2.1655   3.8430  -2.1655   3.8430   0.0000   0.0000  352.904  160.185  ?   ?  0.000000 160.1853 
1 1 1  -24   21   15 o  659.209  254.323   5.1009   7.4332   5.1009   7.4332   0.0000   0.0000  659.209  254.323  ?   ?  0.000000 254.3233 
1 1 1  -24   21   17 o  435.800  195.863  -2.3431   5.5810  -6.7420   7.0638   4.9644   9.1044  435.818  204.484  696.496  277.606 -260.6777 344.7878 
1 1 1  -24   21   19 o  402.880  172.172   0.0531   3.8510  -0.2664   4.2554   1.4984   9.0499  415.001  179.219  627.840  265.971 -212.8387 320.7183 
1 1 1  -24   21   21 o  1386.68  149.947   31.210   6.4071   33.304   8.1731   27.872   10.320  1418.97  188.622  1262.71  269.228 156.2687 328.7279 
1 1 1  -24   21   23 o  568.605  190.960   5.0566   4.0137   2.7387   4.6046   12.390   8.1903  507.059  198.894  849.380  272.112 -342.3205 337.0515 
1 1 1  -24   21   25 o  1430.86  121.258   32.971   5.3817   35.138   6.1945   26.302   10.868  1472.31  135.900  1201.20  291.831 271.1075 321.9226 
1 1 1  -24   21   27 o  526.085  189.258   4.0386   3.9768   1.5704   4.5496   12.031   8.1867  468.757  192.767  827.686  272.566 -358.9290 333.8435 
1 1 1  -24   21   29 o  668.167  192.048   7.6986   4.2317   10.728   4.9090  -1.0624   8.3483  783.354  199.572  547.229  243.170 236.1245 314.5797 
1 1 1  -24   21   31 o  771.359  173.555   10.285   4.0905   9.4905   4.5667   13.510   9.2000  734.597  195.206  852.428  289.096 -117.8308 348.8294 
1 1 1  -24   21   33 o  1540.77  117.330   38.683   5.6181   32.373   6.5115   57.059   11.113  1390.40  152.041  1811.13  199.254 -420.7297 250.6364 
1 1 1  -24   21   35 o  724.804  179.178   9.3302   4.0434   8.3230   4.4888   13.664   9.3110  679.966  198.481  831.067  290.481 -151.1012 351.8157 
1 1 1  -24   21   37 o  593.598  195.104   6.2298   4.1954   3.5887   4.7907   14.920   8.6902  515.320  202.638  850.722  280.854 -335.4015 346.3253 
1 1 1  -24   21   39 o  955.879  164.894   16.169   4.7571   17.564   5.5201   12.144   9.3777  982.150  186.311  762.130  287.688 220.0203 342.7476 
1 1 1  -24   21   41 o  844.575  181.535   13.245   4.6579   13.705   5.3793   11.868   9.3118  840.745  205.960  734.585  284.303 106.1600 351.0669 
1 1 1  -24   21   43 o  476.784  192.519   3.2701   4.4397   2.0182   4.9857   8.0645   9.7571  458.655  195.953  639.933  273.782 -181.2778 336.6810 
1 1 1  -24   22    2 o  1465.50  126.100   34.313   5.7302   39.247   6.5069   17.266   12.094  1566.10  133.979  1011.18  331.207 554.9208 357.2793 
1 1 1  -24   22    4 o  666.528  192.616   7.3304   4.2464   7.7279   4.5993   5.0348   11.053  684.713  201.210  747.891  303.144 -63.17767 363.8434 
1 1 1  -24   22    6 o  949.780  161.429   14.794   4.6291   12.370   5.0281   28.272   11.857  860.208  191.589  1274.62  301.747 -414.4168 357.4318 
1 1 1  -24   22    8 o  874.795  169.536   12.652   4.4762   11.538   4.8703   18.709   11.360  830.434  191.246  1042.95  318.551 -212.5198 371.5503 
1 1 1  -24   22   10 o  379.857  182.031  -8.4227   6.2020   2.6617   7.3496 -35.8388   11.559  602.565  246.074  395.871  199.587 206.6936 316.8400 
1 1 1  -24   22   12 o  429.565  200.236  -5.7281   6.5923  -5.7281   6.5923   0.0000   0.0000  429.565  200.236  ?   ?  0.000000 200.2365 
1 1 1  -24   22   14 o  986.155  276.293   16.782   8.8728   16.782   8.8728   0.0000   0.0000  986.155  276.293  ?   ?  0.000000 276.2928 
1 1 1  -24   22   16 o  595.287  198.469   5.5093   4.3357   5.5093   4.3357   0.0000   0.0000  595.287  198.469  ?   ?  0.000000 198.4685 
1 1 1  -24   22   18 o  1003.22  169.635   16.639   5.1388   16.639   5.1388   0.0000   0.0000  1003.22  169.635  ?   ?  0.000000 169.6355 
1 1 1  -24   22   20 o  594.864  204.820   5.3998   4.6208   5.3998   4.6208   0.0000   0.0000  594.864  204.820  ?   ?  0.000000 204.8197 
1 1 1  -24   22   22 o  432.526  185.594   0.0528   4.5075   0.0528   4.5075   0.0000   0.0000  432.526  185.594  ?   ?  0.000000 185.5935 
1 1 1  -24   22   24 o  744.532  200.421   9.4911   4.7759   9.4911   4.7759   0.0000   0.0000  744.532  200.421  ?   ?  0.000000 200.4211 
1 1 1  -24   22   26 o  728.437  185.074   9.0848   4.2299   6.6310   4.6807   20.014   9.8783  634.360  205.962  1043.52  291.234 -409.1552 356.7036 
1 1 1  -24   22   28 o  432.002  180.830   0.9086   4.1036   0.9086   4.1036   0.0000   0.0000  432.002  180.830  ?   ?  0.000000 180.8303 
1 1 1  -24   22   30 f  1165.79  161.664   22.758   5.7425   22.758   5.7425   0.0000   0.0000  1165.79  161.664  ?   ?  0.000000 161.6642 
1 1 1  -24   22   32 o  1351.03  130.263   29.939   5.4424   31.973   6.2021   23.129   11.348  1389.34  144.688  1074.88  316.110 314.4607 347.6495 
1 1 1  -24   22   34 o  1023.26  154.110   17.729   4.7846   12.022   5.4822   35.973   9.8014  813.837  212.745  1409.38  230.035 -595.5440 313.3313 
1 1 1  -24   22   36 f  921.559  176.185   14.911   4.8987   20.919   5.5321  -6.9139   10.544  1101.82  165.458  521.169  246.159 580.6495 296.5989 
1 1 1  -24   22   38 o  1150.83  155.740   22.805   5.4680   25.498   6.1428   12.528   11.999  1210.27  166.504  790.305  317.419 419.9635 358.4385 
1 1 1  -24   22   40 o  834.449  193.900   12.986   4.9698   12.376   5.5813   15.320   10.920  798.479  217.388  818.841  310.119 -20.36121 378.7234 
1 1 1  -24   23    1 o  1010.34  181.796   16.907   5.5399   16.907   5.5399   0.0000   0.0000  1010.34  181.796  ?   ?  0.000000 181.7956 
1 1 1  -24   23    3 o  475.457  187.306   2.1789   4.1002   2.7382   4.3780  -1.8132   11.696  503.249  194.894  658.462  290.438 -155.2130 349.7682 
1 1 1  -24   23    5 o  641.767  197.137   6.6927   4.3434   2.7166   4.7478   27.096   10.755  516.040  202.091  1251.92  281.226 -735.8782 346.3076 
1 1 1  -24   23    7 o  744.972  253.743   8.6531   7.0878   0.5983   9.2680   20.001   11.000  623.060  266.704  1071.96  310.088 -448.9038 409.0059 
1 1 1  -24   23    9 o  890.635  255.054   13.473   7.4761   19.136   9.5490   4.5057   12.017  1051.06  283.591  759.295  312.891 291.7700 422.2844 
1 1 1  -24   23   11 o  627.089  244.061   4.3925   6.8919   6.3833   8.7220   1.0834   11.245  718.435  275.936  686.011  293.717 32.42352 403.0015 
1 1 1  -24   23   13 o  921.509  188.652   14.195   5.2602   14.195   5.2602   0.0000   0.0000  921.509  188.652  ?   ?  0.000000 188.6518 
1 1 1  -24   23   15 o  403.798  175.727  -0.5436   4.1546   1.8721   4.4576 -16.5236   11.465  479.776  193.195  500.138  241.616 -20.36157 309.3582 
1 1 1  -24   23   17 o  806.667  177.683   10.907   4.3668   11.655   4.7969   7.2886   10.551  831.987  188.497  770.847  301.433 61.14038 355.5176 
1 1 1  -24   23   19 o  540.799  202.757   3.7468   4.6417   3.7468   4.6417   0.0000   0.0000  540.799  202.757  ?   ?  0.000000 202.7572 
1 1 1  -24   23   21 o  291.146  142.124  -7.6518   4.2476  -7.6518   4.2476   0.0000   0.0000  291.146  142.124  ?   ?  0.000000 142.1242 
1 1 1  -24   23   23 o  590.460  207.394   5.2567   4.7490   5.2567   4.7490   0.0000   0.0000  590.460  207.394  ?   ?  0.000000 207.3943 
1 1 1  -24   23   25 o  878.265  202.317   13.263   5.4492   13.263   5.4492   0.0000   0.0000  878.265  202.317  ?   ?  0.000000 202.3168 
1 1 1  -24   23   27 o  760.224  206.381   10.009   5.0390   10.009   5.0390   0.0000   0.0000  760.224  206.381  ?   ?  0.000000 206.3814 
1 1 1  -24   23   29 o  1369.29  236.856   33.014   9.7879   33.014   9.7879   0.0000   0.0000  1369.29  236.856  ?   ?  0.000000 236.8563 
1 1 1  -24   23   31 o  1004.36  200.091   17.574   6.0716   17.574   6.0716   0.0000   0.0000  1004.36  200.091  ?   ?  0.000000 200.0908 
1 1 1  -24   23   33 o  659.003  212.689   7.5195   4.9967   7.5195   4.9967   0.0000   0.0000  659.003  212.689  ?   ?  0.000000 212.6893 
1 1 1  -24   23   35 o  863.232  186.868   13.155   4.9045   13.506   5.4313   11.601   11.416  866.761  203.584  804.140  313.799 62.62091 374.0540 
1 1 1  -24   23   37 o  534.608  210.814   3.7874   5.1987   3.7874   5.1987   0.0000   0.0000  534.608  210.814  ?   ?  0.000000 210.8140 
1 1 1  -24   24    2 o  553.814  204.915   4.0026   4.7103   4.0026   4.7103   0.0000   0.0000  553.814  204.915  ?   ?  0.000000 204.9155 
1 1 1  -24   24    4 o  682.278  287.362   2.1098   10.466   2.1098   10.466   0.0000   0.0000  682.278  287.362  ?   ?  0.000000 287.3622 
1 1 1  -24   24    6 o  599.543  250.325   1.7798   7.8356   4.4093   9.9806  -2.4449   12.650  709.596  287.905  677.088  300.179 32.50806 415.9292 
1 1 1  -24   24    8 o  444.581  184.636   0.9073   4.2306   5.1664   4.5542 -25.9067   11.427  588.763  203.302  439.413  217.999 149.3509 298.0858 
1 1 1  -24   24   10 o  775.482  223.258   10.073   5.7146   14.871   6.3051 -12.0070   13.524  937.414  218.792  600.860  282.248 336.5543 357.1189 
1 1 1  -24   24   12 o  670.283  221.600   7.0930   5.4094   7.0930   5.4094   0.0000   0.0000  670.283  221.600  ?   ?  0.000000 221.5997 
1 1 1  -24   24   14 o  884.406  196.911   13.158   5.3129   13.158   5.3129   0.0000   0.0000  884.406  196.911  ?   ?  0.000000 196.9109 
1 1 1  -24   24   16 o  312.278  148.874  -5.1339   4.0351  -4.5513   4.3339  -8.9269   11.059  337.345  158.873  553.661  258.504 -216.3163 303.4226 
1 1 1  -24   24   18 o  544.190  207.840   3.5426   4.9310   3.5426   4.9310   0.0000   0.0000  544.190  207.840  ?   ?  0.000000 207.8404 
1 1 1  -24   24   20 o  660.555  204.588   7.1856   4.6670   5.9753   5.0521   14.229   12.188  623.274  214.189  930.686  331.692 -307.4116 394.8372 
1 1 1  -24   24   22 o  509.104  234.912  -5.6211   8.7291  -5.6211   8.7291   0.0000   0.0000  509.104  234.912  ?   ?  0.000000 234.9123 
1 1 1  -24   24   24 o  536.763  217.824   2.4468   5.7142   1.1519   9.0011   3.3209   7.3956  613.382  262.706  608.224  247.439 5.157227 360.8882 
1 1 1  -24   24   26 o  885.078  238.560   13.761   6.7613   11.024   9.8755   16.176   9.2765  823.316  297.956  948.263  287.474 -124.9471 414.0276 
1 1 1  -24   24   28 f  537.265  240.181  -1.9071   8.2739  -1.9071   8.2739   0.0000   0.0000  537.265  240.181  ?   ?  0.000000 240.1812 
1 1 1  -24   24   30 o  602.867  261.269   0.9699   9.1081   0.9699   9.1081   0.0000   0.0000  602.867  261.269  ?   ?  0.000000 261.2686 
1 1 1  -24   24   32 o  435.544  207.052  -7.8979   7.6933  -7.8979   7.6933   0.0000   0.0000  435.544  207.052  ?   ?  0.000000 207.0522 
1 1 1  -24   24   34 o  1051.53  281.751   21.315   9.4644   21.315   9.4644   0.0000   0.0000  1051.53  281.751  ?   ?  0.000000 281.7513 
1 1 1  -24   25    1 o  625.981  269.805   0.1232   9.6066   5.3755   12.176  -8.5358   15.634  778.170  317.141  690.156  316.963 88.01392 448.3786 
1 1 1  -24   25    3 o  829.620  326.633   8.0125   12.462   8.0125   12.462   0.0000   0.0000  829.620  326.633  ?   ?  0.000000 326.6327 
1 1 1  -24   25    5 f  887.142  294.746   12.833   9.5655   19.708   12.361   2.5693   15.103  1068.49  333.289  801.885  341.780 266.6084 477.3838 
1 1 1  -24   25    7 o  632.268  210.237   6.2153   4.8663   5.8116   5.2280   8.8335   13.314  625.796  217.725  859.577  337.875 -233.7817 401.9499 
1 1 1  -24   25   11 o  555.509  211.834   3.6487   5.1173   2.6978   5.5245   9.3951   13.581  542.820  216.280  872.134  341.723 -329.3135 404.4150 
1 1 1  -24   25   13 o  874.096  191.540   12.803   5.0977   16.624   5.5896  -6.0814   12.427  1000.59  185.228  627.170  285.974 373.4197 340.7205 
1 1 1  -24   25   15 o  825.537  259.481   11.354   7.4763   11.093   9.3724   11.810   12.397  838.177  291.523  894.331  332.137 -56.15387 441.9284 
1 1 1  -24   25   17 o  409.698  197.834 -11.4131   7.6653 -19.6556   9.3807   5.1488   13.297  408.938  201.906  792.460  328.079 -383.5214 385.2298 
1 1 1  -24   25   19 o  616.469  285.683  -8.5918   13.117   0.0000   0.0000  -8.5918   13.117  ?   ?   616.469  285.683 0.000000 285.6827 
1 1 1  -24   25   21 o  679.112  251.879   6.4274   7.1252   0.6897   8.8314   17.127   12.060  605.346  259.767  992.652  331.008 -387.3065 420.7671 
1 1 1  -24   25   23 o  1075.29  216.770   19.726   7.0466   22.847   10.916   17.497   9.2263  1126.07  302.957  993.877  282.904 132.1923 414.5089 
1 1 1  -24   25   25 o  1033.48  218.132   18.356   6.8372   14.547   10.481   21.178   9.0211  915.865  308.573  1092.62  266.139 -176.7595 407.4896 
1 1 1  -24   25   27 f  795.882  287.128   10.181   9.1604   10.181   9.1604   0.0000   0.0000  795.882  287.128  ?   ?  0.000000 287.1275 
1 1 1  -24   25   29 o  672.857  239.251   7.1093   6.3376   4.2939   8.9797   9.9035   8.9457  662.094  271.376  781.500  283.465 -119.4051 392.4252 
1 1 1  -24   25   31 o  723.160  255.620   8.6249   7.2242   5.9117   10.231   11.323   10.203  712.615  290.592  820.036  301.917 -107.4217 419.0432 
1 1 1  -24   26    2 o  855.349  217.801   12.326   5.8490   11.947   6.2129   15.276   17.344  842.235  229.381  1028.37  390.508 -186.1339 452.8926 
1 1 1  -24   26    4 o  755.326  227.008   9.4175   5.8029   9.5759   6.1771   8.2277   16.931  763.666  235.181  916.870  373.849 -153.2040 441.6715 
1 1 1  -24   26    6 f  512.754  213.139   1.2463   5.6448   1.2463   5.6448   0.0000   0.0000  512.754  213.139  ?   ?  0.000000 213.1395 
1 1 1  -24   26    8 o  1130.78  294.460   22.159   10.529   17.414   13.869   28.612   16.175  1029.88  354.834  1265.74  378.682 -235.8651 518.9484 
1 1 1  -24   26   10 o  977.635  299.122   16.252   10.011   11.830   13.166   22.315   15.415  912.059  341.569  1136.46  373.997 -224.3977 506.5015 
1 1 1  -24   26   12 o  1058.74  335.755   19.273   12.494   19.273   12.494   0.0000   0.0000  1058.74  335.755  ?   ?  0.000000 335.7547 
1 1 1  -24   26   14 o  968.078  275.622   16.080   8.7564   28.205   11.765   1.0237   13.110  1270.60  300.446  733.659  315.705 536.9438 435.8184 
1 1 1  -24   26   16 o  591.570  246.761   1.8000   7.6038 -18.9751   9.7954   33.300   12.062  428.578  210.576  1386.01  287.354 -957.4340 356.2510 
1 1 1  -24   26   18 o  521.946  252.353 -18.1814   12.567   0.0000   0.0000 -18.1814   12.567  ?   ?   521.946  252.353 0.000000 252.3531 
1 1 1  -24   26   20 o  914.835  269.735   14.404   8.2533   9.0603   10.942   21.455   12.570  813.784  309.898  1097.44  335.069 -283.6519 456.4076 
1 1 1  -24   26   22 o  599.855  266.078  -1.9383   9.9521  -1.9383   9.9521   0.0000   0.0000  599.855  266.078  ?   ?  0.000000 266.0781 
1 1 1  -24   26   24 o  671.852  245.257   6.5316   6.7121  -2.4785   9.4886   15.556   9.4960  575.943  257.359  942.456  291.820 -366.5140 389.0917 
1 1 1  -24   26   26 o  753.435  290.872   7.6595   9.7282   7.6595   9.7282   0.0000   0.0000  753.435  290.872  ?   ?  0.000000 290.8719 
1 1 1  -24   26   28 o  1207.51  207.016   24.817   7.5456   32.813   10.676   16.837   10.666  1364.58  259.349  965.326  310.657 399.2499 404.6846 
1 1 1  -24   27    1 f  431.385  194.292  -2.5447   5.5261  -3.8489   5.8767   7.4168   16.242  425.909  195.133  895.309  365.734 -469.4006 414.5339 
1 1 1  -24   27    3 o  819.480  352.935   1.3663   16.413   0.0000   0.0000   1.3663   16.413  ?   ?   819.480  352.935 0.000000 352.9352 
1 1 1  -24   27    5 o  966.739  377.253   11.860   16.500   0.0000   0.0000   11.860   16.500  ?   ?   966.739  377.253 0.000000 377.2526 
1 1 1  -24   27    7 o  664.873  303.702  -7.3496   14.093  -7.3496   14.093   0.0000   0.0000  664.873  303.702  ?   ?  0.000000 303.7018 
1 1 1  -24   27    9 o  633.597  292.424  -8.9015   13.538   0.0000   0.0000  -8.9015   13.538  ?   ?   633.597  292.424 0.000000 292.4244 
1 1 1  -24   27   11 o  839.567  334.534   7.5868   13.218   7.5868   13.218   0.0000   0.0000  839.567  334.534  ?   ?  0.000000 334.5338 
1 1 1  -24   27   13 o  691.874  301.785  -0.7358   12.315  -0.7358   12.315   0.0000   0.0000  691.874  301.785  ?   ?  0.000000 301.7847 
1 1 1  -24   27   15 o  617.116  278.293  -4.4306   11.379  -4.4306   11.379   0.0000   0.0000  617.116  278.293  ?   ?  0.000000 278.2929 
1 1 1  -24   27   19 o  423.800  203.205 -10.3613   7.7534  -8.9916   10.690 -11.8815   11.262  542.431  253.563  533.020  252.548 9.410278 357.8746 
1 1 1  -24   27   21 o  587.958  249.306   1.1014   7.9631  -5.0473   10.930   8.0561   11.625  592.042  269.277  807.350  316.208 -215.3080 415.3287 
1 1 1  -24   27   23 o  595.314  252.071   1.3170   8.1224  -4.0976   10.882   8.1278   12.205  600.039  271.227  815.715  322.583 -215.6757 421.4544 
1 1 1  -24   28    4 o  435.933  214.715 -21.2440   10.391  -3.8866   14.474 -39.7093   14.928  713.740  318.472  475.042  237.773 238.6982 397.4421 
1 1 1  -24   28    6 o  1075.09  379.412   18.494   15.909   0.0000   0.0000   18.494   15.909  ?   ?   1075.09  379.412 0.000000 379.4118 
1 1 1  -24   28    8 o  716.847  320.996  -4.4396   14.844   0.0000   0.0000  -4.4396   14.844  ?   ?   716.847  320.996 0.000000 320.9965 
1 1 1  -24   28   12 o  831.373  341.275   5.6913   14.228   0.0000   0.0000   5.6913   14.228  ?   ?   831.373  341.275 0.000000 341.2747 
1 1 1  -23    0    1 o  166.455  112.474  -0.7969   1.7159  -0.7969   1.7159  -0.7969   1.7159  166.455  112.474  166.455  112.474 -0.000000 0.000000 
1 1 1  -23    0    3 o  466.286  194.459   4.9018   2.8381   4.9018   2.8381   4.9018   2.8381  466.286  194.459  466.286  194.459 -0.000000 0.000000 
1 1 1  -23    0    5 o  3157.44  125.704  158.867   12.383  158.867   12.383  158.867   12.383  3157.44  125.704  3157.44  125.704 -0.000000 0.000000 
1 1 1  -23    0    7 o  381.588  177.197   3.4012   2.3463   3.4012   2.3463   3.4012   2.3463  381.588  177.197  381.588  177.197 -0.000000 0.000000 
1 1 1  -23    0    9 o  1348.09  109.162   29.281   4.5384   29.281   4.5384   29.281   4.5384  1348.09  109.162  1348.09  109.162 -0.000000 0.000000 
1 1 1  -23    0   11 o  1078.03  115.673   19.007   3.7911   19.007   3.7911   19.007   3.7911  1078.03  115.673  1078.03  115.673 -0.000000 0.000000 
1 1 1  -23    0   13 o  1789.12  109.503   51.172   6.0819   51.172   6.0819   51.172   6.0819  1789.12  109.503  1789.12  109.503 -0.000000 0.000000 
1 1 1  -23    0   15 o  1246.26  114.706   25.191   4.3890   25.191   4.3890   25.191   4.3890  1246.26  114.706  1246.26  114.706 -0.000000 0.000000 
1 1 1  -23    0   17 o  167.774  117.553  -2.3857   2.3259  -2.3857   2.3259  -2.3857   2.3259  167.774  117.553  167.774  117.553 -0.000000 0.000000 
1 1 1  -23    0   19 o  1404.36  114.682   31.843   4.9656   31.843   4.9656   31.843   4.9656  1404.36  114.682  1404.36  114.682 -0.000000 0.000000 
1 1 1  -23    0   21 o  268.081  163.369   1.0712   2.5823   1.0712   2.5823   1.0712   2.5823  268.081  163.369  268.081  163.369 -0.000000 0.000000 
1 1 1  -23    0   23 o  1424.68  110.725   32.725   4.8709   32.725   4.8709   32.725   4.8709  1424.68  110.725  1424.68  110.725 -0.000000 0.000000 
1 1 1  -23    0   25 o  350.188  202.044   2.5851   3.5737   2.5851   3.5737   2.5851   3.5737  350.188  202.044  350.188  202.044 -0.000000 0.000000 
1 1 1  -23    0   27 o  2494.98  179.881  102.376   13.885  102.376   13.885  102.376   13.885  2494.98  179.881  2494.98  179.881 -0.000000 0.000000 
1 1 1  -23    0   29 o  1979.43  170.901   64.608   10.411   64.608   10.411   64.608   10.411  1979.43  170.901  1979.43  170.901 -0.000000 0.000000 
1 1 1  -23    0   31 o  3342.48  204.440  184.289   21.214  184.289   21.214  184.289   21.214  3342.48  204.440  3342.48  204.440 -0.000000 0.000000 
1 1 1  -23    0   33 o  838.271  152.143   12.224   3.6035   12.224   3.6035   12.224   3.6035  838.271  152.143  838.271  152.143 -0.000000 0.000000 
1 1 1  -23    0   35 o  1885.55  117.458   56.973   6.8732   56.973   6.8732   56.973   6.8732  1885.55  117.458  1885.55  117.458 -0.000000 0.000000 
1 1 1  -23    0   37 o  751.370  233.112   11.370   4.8033   11.370   4.8033   11.370   4.8033  751.370  233.112  751.370  233.112 -0.000000 0.000000 
1 1 1  -23    0   39 o  1687.92  115.565   45.746   6.0422   45.746   6.0422   45.746   6.0422  1687.92  115.565  1687.92  115.565 -0.000000 0.000000 
1 1 1  -23    0   41 o  351.198  194.614   2.7779   3.1431   2.7779   3.1431   2.7779   3.1431  351.198  194.614  351.198  194.614 -0.000000 0.000000 
1 1 1  -23    0   43 o  599.315  208.875   7.5326   3.5438   7.5326   3.5438   7.5326   3.5438  599.315  208.875  599.315  208.875 -0.000000 0.000000 
1 1 1  -23    0   45 o  459.350  212.296   4.9824   3.3662   4.9824   3.3662   4.9824   3.3662  459.350  212.296  459.350  212.296 -0.000000 0.000000 
1 1 1  -23    0   47 o  998.683  138.946   16.768   4.1046   16.768   4.1046   16.768   4.1046  998.683  138.946  998.683  138.946 -0.000000 0.000000 
1 1 1  -23    0   49 o  295.741  175.717   1.6278   2.8389   1.6278   2.8389   1.6278   2.8389  295.741  175.717  295.741  175.717 -0.000000 0.000000 
1 1 1  -23    0   51 o  386.652  201.757   3.6475   3.1946   3.6475   3.1946   3.6475   3.1946  386.652  201.757  386.652  201.757 -0.000000 0.000000 
1 1 1  -23    0   53 o  365.799  195.627   3.2630   3.0629   3.2630   3.0629   3.2630   3.0629  365.799  195.627  365.799  195.627 -0.000000 0.000000 
1 1 1  -23    0   55 o  215.840  145.205  -0.9630   2.8014  -0.9630   2.8014  -0.9630   2.8014  215.840  145.205  215.840  145.205 -0.000000 0.000000 
1 1 1  -23    0   57 o  2408.45  125.840   94.754   9.4310   94.754   9.4310   94.754   9.4310  2408.45  125.840  2408.45  125.840 -0.000000 0.000000 
1 1 1  -23    0   59 o  2598.21  130.134  110.809   10.527  110.809   10.527  110.809   10.527  2598.21  130.134  2598.21  130.134 -0.000000 0.000000 
1 1 1  -23    0   61 o  1448.06  130.030   35.051   5.7865   35.051   5.7865   35.051   5.7865  1448.06  130.030  1448.06  130.030 -0.000000 0.000000 
1 1 1  -23    1    2 o  1285.16   85.231   26.285   3.4104   28.678   4.3112   22.284   5.5746  1337.55  103.750  1159.81  157.582 177.7417 188.6696 
1 1 1  -23    1    4 o  907.219   87.713   13.168   2.4606   16.351   3.1249   7.9721   3.9918  1008.83  100.251  682.754  182.995 326.0709 208.6566 
1 1 1  -23    1    6 o  920.477   80.528   13.507   2.2977   12.134   3.1725   15.023   3.3322  862.161  120.834  963.316  112.593 -101.1555 165.1609 
1 1 1  -23    1    8 o  838.796   81.910   11.242   2.1239   9.9325   3.0021   12.555   3.0052  776.488  127.928  879.722  111.606 -103.2344 169.7689 
1 1 1  -23    1   10 o  1562.57   75.090   38.598   3.6740   34.641   5.1386   42.736   5.2549  1467.48  112.689  1634.16  103.227 -166.6771 152.8225 
1 1 1  -23    1   12 o  803.550   84.599   10.346   2.0966   9.9167   3.0791   10.717   2.8629  774.214  131.731  810.085  116.191 -35.87152 175.6508 
1 1 1  -23    1   14 o  756.830   89.754   9.2229   2.0856   8.9410   2.9697   9.4972   2.9295  733.070  134.326  757.940  127.995 -24.87091 185.5431 
1 1 1  -23    1   16 o  675.518  100.589   7.4347   2.0628   7.3671   3.0037   7.4950   2.8377  659.617  148.952  667.639  140.203 -8.022400 204.5572 
1 1 1  -23    1   18 o  2868.01   89.113  130.927   8.0028  141.102   11.397  121.028   11.240  2955.42  123.151  2731.28  131.430 224.1404 180.1110 
1 1 1  -23    1   20 o  942.760   83.753   14.244   2.4466   17.750   3.5537   11.085   3.3735  1045.02  110.267  814.350  137.173 230.6688 175.9978 
1 1 1  -23    1   22 o  1854.24   79.940   54.704   4.6414   58.288   6.5483   51.085   6.5795  1897.24  110.708  1770.99  119.343 126.2488 162.7858 
1 1 1  -23    1   24 o  1744.16   92.228   48.924   5.0190   46.935   8.8040   49.881   6.1090  1655.19  172.398  1750.28  112.055 -95.08459 205.6151 
1 1 1  -23    1   26 o  789.040  150.016   10.740   3.5709   8.3230   4.9233   13.423   5.1872  674.602  210.327  858.953  197.049 -184.3508 288.2113 
1 1 1  -23    1   28 o  487.912  159.477   4.0215   2.8045   4.0895   3.8945   3.9482   4.0421  509.431  186.688  507.633  189.427 1.798462 265.9608 
1 1 1  -23    1   30 o  1538.36  116.384   39.111   5.5647   40.266   7.7038   37.850   8.0469  1522.73  164.167  1462.40  179.498 60.33472 243.2495 
1 1 1  -23    1   32 o  1828.77   93.265   54.186   5.3229   53.849   6.5070   54.870   9.2543  1806.89  115.616  1774.86  168.541 32.03162 204.3848 
1 1 1  -23    1   34 o  2132.83   96.715   73.721   6.4591   76.193   7.9520   68.928   11.073  2147.17  118.736  1974.89  181.084 172.2847 216.5400 
1 1 1  -23    1   36 o  2003.66   94.691   65.096   5.9409   64.738   10.241   65.278   7.2936  1918.26  172.335  1984.87  117.881 -66.61230 208.7950 
1 1 1  -23    1   38 o  1981.14   95.898   63.953   5.9490   62.283   7.2904   67.281   10.292  1929.58  121.279  1946.71  170.555 -17.13318 209.2785 
1 1 1  -23    1   40 o  2161.03   84.689   75.773   5.7306   69.951   8.0535   81.745   8.1562  2028.89  127.414  2205.29  118.550 -176.3965 174.0362 
1 1 1  -23    1   42 f  1933.04   82.727   60.803   5.0073   59.808   6.9863   61.853   7.1806  1876.10  119.548  1906.26  120.925 -30.16431 170.0430 
1 1 1  -23    1   44 o  2610.23   90.698  112.337   7.4130  107.166   10.409  117.659   10.560  2472.49  134.954  2603.99  129.514 -131.4976 187.0468 
1 1 1  -23    1   46 o  458.023  140.217   3.8773   2.1995   4.5698   2.9239   2.9748   3.3381  488.906  162.984  429.726  169.095 59.18008 234.8554 
1 1 1  -23    1   48 o  2667.55   93.655  121.340   7.8228  116.086   10.982  126.754   11.147  2478.75  142.079  2605.59  137.103 -126.8440 197.4424 
1 1 1  -23    1   50 o  1406.93  101.147   35.765   4.4262   40.457   5.4264   26.437   7.6512  1458.34  119.895  890.642  258.890 567.6953 285.3048 
1 1 1  -23    1   52 o  1742.30   89.048   55.435   4.8419   50.517   6.6898   60.846   7.0168  1502.23  143.983  1680.49  134.474 -178.2554 197.0138 
1 1 1  -23    1   54 o  467.590  151.447   6.1370   2.5318   11.794   3.4613  -0.3725   3.7130  633.859  170.618  278.821  135.376 355.0389 217.8011 
1 1 1  -23    1   56 o  1191.03  102.123   30.531   3.7717   32.567   5.1951   28.263   5.4848  1031.68  166.486  823.140  211.625 208.5369 269.2629 
1 1 1  -23    1   58 o  2610.78  143.626  207.380   11.696  202.243   16.453  212.629   16.631  892.253  366.709  986.566  380.472 -94.31317 528.4261 
1 1 1  -23    1   60 o  ?   ?   583.744   28.423  562.616   40.167  604.934   40.225  ?   ?   ?   ?  0.000000      ? 
1 1 1  -23    2    1 o  1381.38   84.930   30.351   3.6558   32.270   4.5516   26.864   6.1369  1419.35  103.117  1275.11  157.020 144.2362 187.8523 
1 1 1  -23    2    3 o  1271.44   86.147   25.735   3.4094   26.020   4.2555   25.226   5.6973  1272.58  107.809  1238.33  149.990 34.25720 184.7155 
1 1 1  -23    2    5 o  822.995   82.252   10.826   2.0913   12.193   3.0140   9.5574   2.9041  866.284  113.872  762.013  126.121 104.2715 169.9214 
1 1 1  -23    2    7 o  1473.24   75.957   34.397   3.4920   37.123   4.9724   31.744   4.9052  1522.49  104.943  1404.94  112.444 117.5490 153.8076 
1 1 1  -23    2    9 o  851.162   85.628   11.595   2.2512   10.438   3.2123   12.712   3.1557  794.606  133.866  883.744  116.908 -89.13806 177.7291 
1 1 1  -23    2   11 f  908.463   82.298   13.177   2.3156   12.370   3.3088   13.951   3.2419  868.929  125.226  927.016  114.091 -58.08795 169.4060 
1 1 1  -23    2   13 o  1030.42   79.745   16.911   2.5529   16.414   3.5654   17.435   3.6572  1005.79  115.290  1037.20  114.518 -31.40326 162.4995 
1 1 1  -23    2   15 o  704.891   94.019   8.0417   2.0234   5.1137   2.9588   10.614   2.7733  551.745  161.171  806.413  112.928 -254.6685 196.7965 
1 1 1  -23    2   17 o  1420.85   78.005   32.089   3.4572   30.385   4.9052   33.771   4.8734  1370.30  115.394  1447.84  108.280 -77.54553 158.2415 
1 1 1  -23    2   19 o  1539.03   78.657   37.680   3.7779   37.707   5.3261   37.653   5.3596  1527.25  112.159  1525.79  112.984 1.460205 159.2011 
1 1 1  -23    2   21 o  1337.09   79.646   28.514   3.3195   32.447   4.8204   24.967   4.5779  1415.39  109.620  1236.46  119.741 178.9309 162.3411 
1 1 1  -23    2   23 o  863.630  103.987   12.175   2.7555   16.633   5.4152   10.618   3.2009  974.544  184.208  795.352  133.241 179.1913 227.3447 
1 1 1  -23    2   25 o  845.547  110.163   11.783   2.8474   5.8989   5.1664   14.350   3.4125  596.327  215.555  930.320  119.937 -333.9931 246.6756 
1 1 1  -23    2   27 o  741.191  156.220   9.6013   3.5113   12.063   4.8720   6.9410   5.0651  812.983  194.073  624.571  214.475 188.4119 289.2473 
1 1 1  -23    2   29 o  1487.65  118.426   36.606   5.4708   40.855   7.9354   32.758   7.5527  1532.21  168.163  1359.33  182.014 172.8787 247.8064 
1 1 1  -23    2   31 o  1769.08  112.577   51.460   6.2037   62.702   8.9761   41.179   8.5837  1918.24  150.651  1523.08  183.693 395.1683 237.5688 
1 1 1  -23    2   33 o  794.639  111.858   10.508   2.7062   13.169   3.4242   6.0821   4.4169  883.906  127.399  587.342  200.305 296.5645 237.3874 
1 1 1  -23    2   35 o  1066.64  123.339   19.042   4.0434   19.744   5.9969   18.456   5.4752  1042.88  190.672  1015.99  178.624 26.88837 261.2707 
1 1 1  -23    2   37 o  3252.69   99.059  172.376   10.089  173.284   14.285  171.471   14.251  3194.66  142.807  3177.14  143.249 17.52246 202.2724 
1 1 1  -23    2   39 o  2458.23  101.779   99.233   7.8343  100.823   9.6669   96.190   13.373  2444.18  126.744  2290.81  188.088 153.3667 226.8062 
1 1 1  -23    2   41 o  2659.52   90.652  115.619   7.5492  111.114   10.691  120.100   10.662  2540.39  134.880  2655.03  128.245 -114.6404 186.1164 
1 1 1  -23    2   43 o  965.911   94.541   15.516   2.8227   15.028   4.0369   15.983   3.9485  915.717  145.668  951.980  136.355 -36.26288 199.5288 
1 1 1  -23    2   45 o  1518.53   82.537   37.901   3.9098   33.437   5.4713   42.559   5.5892  1381.20  127.961  1576.23  114.012 -195.0349 171.3847 
1 1 1  -23    2   47 o  2448.16   90.230  100.514   6.9169  100.595   9.7528  100.433   9.8113  2357.85  132.637  2353.44  133.691 4.415283 188.3242 
1 1 1  -23    2   49 f  1983.81  102.644   69.725   6.3542   65.692   7.7873   77.759   10.992  1848.09  135.515  1846.92  192.908 1.164429 235.7497 
1 1 1  -23    2   51 o  3510.17  121.232  243.157   13.325  244.109   18.812  242.199   18.877  3025.66  199.681  2997.83  202.281 27.82446 284.2360 
1 1 1  -23    2   53 o  1836.22   90.587   63.246   5.2084   54.878   7.2079   72.390   7.5346  1483.59  157.572  1790.95  135.357 -307.3595 207.7264 
1 1 1  -23    2   55 o  2343.35  104.696  115.675   7.6822  112.110   10.767  119.372   10.964  1843.48  189.204  1930.33  183.613 -86.85205 263.6511 
1 1 1  -23    2   57 o  2330.00  115.582  131.015   8.4326  122.298   11.825  140.033   12.028  1400.37  279.478  1706.04  231.110 -305.6726 362.6573 
1 1 1  -23    2   59 o  555.774  180.860   15.443   3.6085   16.090   4.2162   13.671   6.9771  463.185  187.406  288.065  146.251 175.1198 237.7193 
1 1 1  -23    2   61 o  1014.84  191.473   53.737   5.8614   55.320   6.9790   49.946   10.799  607.271  242.720  ?   ?  0.000000 242.7201 
1 1 1  -23    3    2 o  886.177   90.969   12.591   2.4884   12.720   3.0828   12.349   4.2159  884.992  113.888  856.553  163.144 28.43866 198.9637 
1 1 1  -23    3    4 o  906.875   92.254   13.186   2.5832   15.045   3.2310   9.8944   4.3006  965.088  108.819  759.853  182.946 205.2352 212.8634 
1 1 1  -23    3    6 o  630.995  102.285   6.4949   1.9518   4.6449   2.8103   8.2185   2.7127  529.446  157.720  705.021  127.575 -175.5754 202.8570 
1 1 1  -23    3    8 o  457.401  114.227   3.4760   1.6311   2.4528   2.3781   4.3850   2.2414  413.574  146.610  512.298  137.047 -98.72406 200.6897 
1 1 1  -23    3   10 o  1595.97   72.488   40.237   3.6225   42.479   5.1731   38.081   5.0743  1629.75  101.883  1541.46  105.771 88.28674 146.8589 
1 1 1  -23    3   12 o  1141.96   76.373   20.717   2.7152   19.976   3.8994   21.414   3.7829  1111.56  113.632  1153.55  105.913 -41.98865 155.3381 
1 1 1  -23    3   14 o  2599.36   86.350  107.243   7.0282  107.770   9.9699  106.722   9.9091  2587.67  123.046  2575.14  122.890 12.52148 173.9029 
1 1 1  -23    3   16 o  464.415  120.844   3.6005   1.7742   2.3811   2.6905   4.5387   2.3600  420.364  155.000  519.656  141.308 -99.29141 209.7453 
1 1 1  -23    3   18 o  1092.80   82.077   19.064   2.7880   15.779   4.0430   22.042   3.8498  976.922  135.846  1168.23  106.409 -191.3043 172.5600 
1 1 1  -23    3   20 o  2217.73   80.748   78.156   5.6073   81.116   7.9600   75.240   7.9003  2240.45  113.839  2155.38  117.502 85.07227 163.6032 
1 1 1  -23    3   22 o  733.494  116.489   8.9059   2.5860   7.5779   5.0843   9.3694   3.0036  658.494  214.699  746.960  133.307 -88.46674 252.7185 
1 1 1  -23    3   24 o  751.992  116.989   9.3947   2.6652   9.8630   5.2807   9.2346   3.0872  734.032  215.570  737.291  138.817 -3.259033 256.3988 
1 1 1  -23    3   26 o  797.064  135.311   10.774   3.2563   12.240   4.9531   9.6574   4.3215  820.603  195.542  731.230  187.768 89.37360 271.0971 
1 1 1  -23    3   28 o  2004.36   96.291   64.932   6.0434   60.075   7.4893   73.996   10.232  1903.08  126.399  2080.61  158.239 -177.5249 202.5246 
1 1 1  -23    3   30 o  1605.16   91.882   41.679   4.5990   45.408   5.7065   34.769   7.7681  1664.14  110.134  1402.80  181.077 261.3434 211.9398 
1 1 1  -23    3   32 o  2330.17  122.729   89.751   8.9232   93.740   12.811   85.992   12.436  2315.68  178.047  2213.77  180.982 101.9165 253.8801 
1 1 1  -23    3   34 o  1283.95  122.258   27.410   4.8558   20.923   6.9578   33.570   6.7801  1056.38  217.590  1396.12  157.867 -339.7352 268.8259 
1 1 1  -23    3   36 o  2375.88   99.508   91.777   7.4029   99.523   9.0847   76.469   12.772  2455.54  118.154  2048.67  201.709 406.8691 233.7664 
1 1 1  -23    3   38 o  2653.78   90.274  114.186   7.5015  116.156   10.656  112.251   10.562  2629.28  129.426  2579.78  131.189 49.50024 184.2868 
1 1 1  -23    3   40 o  951.069   96.780   14.951   2.8420   15.454   4.1103   14.491   3.9339  938.373  144.526  909.289  142.877 29.08386 203.2281 
1 1 1  -23    3   42 o  1694.93   83.285   46.732   4.4201   44.648   6.3563   48.684   6.1507  1613.62  126.824  1696.71  116.476 -83.09375 172.1951 
1 1 1  -23    3   44 o  2525.38   89.175  104.877   7.0516  103.959   9.9866  105.790   9.9584  2445.14  130.911  2469.77  129.219 -24.63062 183.9436 
1 1 1  -23    3   46 o  680.861  116.555   8.1667   2.3955   4.0156   3.2973   12.807   3.4862  466.997  171.682  839.276  137.413 -372.2798 219.9028 
1 1 1  -23    3   48 o  1232.82  101.315   26.440   3.8764   25.249   4.7076   28.947   6.8317  1166.84  131.117  1148.35  197.090 18.49695 236.7196 
1 1 1  -23    3   50 o  545.585  136.808   6.1450   2.3329   6.4222   3.1959   5.8288   3.4133  516.904  170.303  485.279  175.239 31.62439 244.3601 
1 1 1  -23    3   52 o  3687.05  134.909  293.795   15.575  284.645   21.985  303.015   22.069  2795.31  253.945  2985.92  238.018 -190.6152 348.0531 
1 1 1  -23    3   54 o  729.259  123.206   11.797   2.7132   9.5433   3.6899   14.449   4.0032  514.425  182.596  676.492  184.078 -162.0673 259.2798 
1 1 1  -23    3   56 o  660.409  156.064   12.846   3.1761   10.762   3.8194   17.517   5.7185  480.112  183.027  474.262  206.277 5.850037 275.7698 
1 1 1  -23    3   58 o  1059.18  134.071   31.573   4.3470   32.507   5.2255   29.475   7.8327  882.312  194.390  392.597  191.937 489.7151 273.1801 
1 1 1  -23    3   60 o  1539.56  164.541   94.778   7.8092   91.034   9.4445  102.870   13.885  781.837  289.986  ?   ?  0.000000 289.9861 
1 1 1  -23    4    1 o  1899.62   87.979   57.239   5.2331   61.376   6.4785   49.473   8.8774  1958.63  106.028  1730.84  165.828 227.7842 196.8270 
1 1 1  -23    4    3 o  1301.85   89.940   27.014   3.6439   27.240   4.5617   26.616   6.0568  1300.66  113.135  1270.24  155.527 30.41882 192.3235 
1 1 1  -23    4    5 o  484.966  111.115   3.9025   1.6511   3.8502   2.3892   3.9503   2.2844  484.384  145.681  488.607  141.299 -4.222260 202.9494 
1 1 1  -23    4    7 o  357.600  117.270   1.9738   1.5160   2.9997   2.1414   0.9429   2.1466  434.480  139.132  335.723  134.461 98.75745 193.4871 
1 1 1  -23    4    9 o  1435.51   74.460   32.649   3.3354   31.318   4.7748   33.918   4.6613  1396.05  110.123  1455.48  102.942 -59.43042 150.7447 
1 1 1  -23    4   11 o  1052.29   78.704   17.617   2.5745   15.570   3.6360   19.676   3.6458  977.938  121.345  1105.37  106.660 -127.4286 161.5578 
1 1 1  -23    4   13 o  452.400  126.946   3.3918   1.8716   3.0269   2.8420   3.6712   2.4870  454.013  160.345  475.818  149.674 -21.80563 219.3462 
1 1 1  -23    4   15 o  560.345  111.206   5.1975   1.8823   5.1293   2.7362   5.2587   2.5936  551.580  153.040  558.153  146.535 -6.573425 211.8814 
1 1 1  -23    4   17 o  2113.14   80.796   70.837   5.3460   71.112   7.5955   70.566   7.5259  2099.80  115.970  2092.05  115.332 7.753906 163.5558 
1 1 1  -23    4   19 f  387.852  136.996   2.1902   2.0746   1.9213   4.2027   2.2768   2.3855  460.859  186.881  403.413  146.373 57.44629 237.3807 
1 1 1  -23    4   21 o  1122.60   93.871   20.285   3.2694   23.221   5.7971   18.916   3.9591  1171.84  162.349  1074.64  119.690 97.20361 201.6998 
1 1 1  -23    4   23 o  1016.27   98.622   16.745   3.0988   13.767   5.8402   17.912   3.6559  868.126  215.782  1045.76  113.467 -177.6371 243.7965 
1 1 1  -23    4   25 o  200.109   97.511  -3.4331   1.9745  -2.9603   3.1474  -3.7399   2.5355  288.851  135.837  236.058  113.936 52.79330 177.2938 
1 1 1  -23    4   27 o  1362.41   96.129   30.083   4.0746   31.001   5.0798   28.428   6.8231  1370.64  119.558  1275.90  175.427 94.73889 212.2939 
1 1 1  -23    4   29 o  491.782  144.085   4.1533   2.3616   6.0738   3.0989   1.4928   3.6473  586.813  162.887  418.422  172.395 168.3906 237.1752 
1 1 1  -23    4   31 o  3179.07  113.513  165.196   11.300  168.841   13.873  158.012   19.476  3180.18  139.320  2953.93  211.968 226.2478 253.6541 
1 1 1  -23    4   33 f  2922.17  134.155  141.975   12.275  151.772   17.480  132.443   17.242  2929.87  191.593  2715.43  204.277 214.4351 280.0665 
1 1 1  -23    4   35 f  1901.68   96.876   58.689   5.7495   59.087   7.1071   57.935   9.7809  1889.93  120.727  1820.68  173.671 69.25244 211.5102 
1 1 1  -23    4   37 o  3294.52   99.412  176.712   10.255  184.183   14.583  169.402   14.424  3299.75  141.141  3156.46  145.942 143.2903 203.0265 
1 1 1  -23    4   39 o  4040.48  114.728  271.089   14.515  252.347   20.512  289.886   20.543  3760.53  174.200  4066.15  161.345 -305.6108 237.4400 
1 1 1  -23    4   41 f  1395.44   84.102   31.711   3.6576   34.838   5.2546   28.771   5.0944  1436.86  117.827  1297.53  127.018 139.3286 173.2539 
1 1 1  -23    4   43 o  3194.77  100.327  169.197   10.036  169.137   14.237  169.255   14.151  3097.57  146.782  3101.15  145.726 -3.572510 206.8356 
1 1 1  -23    4   45 o  1531.61   84.318   38.612   4.0282   38.104   5.5366   39.184   5.8716  1485.03  120.095  1498.69  126.298 -13.66187 174.2811 
1 1 1  -23    4   47 o  1584.03   85.295   41.909   4.2150   40.710   5.8167   43.234   6.1165  1509.77  124.140  1551.65  127.004 -41.87488 177.5969 
1 1 1  -23    4   49 o  2825.24   98.510  140.370   8.7147  136.689   12.244  144.150   12.407  2601.13  150.976  2681.64  148.331 -80.50610 211.6498 
1 1 1  -23    4   51 o  2883.83  104.608  155.803   9.4461  150.840   13.322  160.820   13.396  2520.62  169.781  2637.66  162.990 -117.0364 235.3530 
1 1 1  -23    4   53 o  2014.72  112.442   82.923   7.0652   82.455   8.5931   83.898   12.412  1852.72  149.394  1233.56  318.976 619.1563 352.2278 
1 1 1  -23    4   55 o  1568.67  114.565   54.306   5.5884   50.321   6.8361   62.335   9.7029  1302.31  171.837  985.602  292.936 316.7053 339.6172 
1 1 1  -23    4   57 o  2052.26  141.146  118.082   9.0151  122.638   11.062  109.070   15.557  1673.99  216.082  479.564  240.429 1194.429 323.2607 
1 1 1  -23    4   59 o  1918.41  112.654   94.936   6.7374   94.710   9.4326   95.170   9.6267  1161.15  265.245  1092.30  280.121 68.85461 385.7754 
1 1 1  -23    5    2 o  871.713   96.011   12.220   2.5772   13.976   3.2600   9.2937   4.2084  928.072  114.616  736.059  183.292 192.0138 216.1780 
1 1 1  -23    5    4 f  624.111   91.006   6.3058   1.7261   7.5263   2.4370   5.0770   2.4453  676.046  119.492  550.143  141.232 125.9023 184.9999 
1 1 1  -23    5    6 o  881.993   83.475   12.425   2.2779   12.512   3.2005   12.337   3.2430  876.109  119.804  869.063  122.575 7.045532 171.3992 
1 1 1  -23    5    8 o  1569.75   75.004   38.941   3.6866   39.843   5.2358   38.054   5.1918  1576.97  106.661  1540.44  108.325 36.52551 152.0231 
1 1 1  -23    5   10 o  1701.50   75.735   45.770   4.0351   45.468   5.6886   46.076   5.7244  1684.06  108.454  1695.35  108.401 -11.29395 153.3399 
1 1 1  -23    5   12 o  1754.19   77.075   48.682   4.2336   52.593   6.0779   44.996   5.9003  1811.39  107.642  1672.87  113.310 138.5247 156.2880 
1 1 1  -23    5   14 o  2307.27   80.789   84.352   5.8367   86.692   8.3161   82.079   8.1940  2325.25  114.218  2258.85  116.243 66.39771 162.9664 
1 1 1  -23    5   16 o  1637.80   76.611   42.481   3.9289   47.205   5.6830   38.156   5.4377  1714.33  106.393  1537.78  113.736 176.5465 155.7411 
1 1 1  -23    5   18 o  1943.34   91.618   60.181   5.5751   61.837   9.9185   59.417   6.7407  1925.86  166.101  1919.35  112.652 6.510132 200.6986 
1 1 1  -23    5   20 o  843.018  102.993   11.557   2.6622   11.131   4.7505   11.753   3.2143  794.818  192.844  842.831  125.634 -48.01306 230.1576 
1 1 1  -23    5   22 o  1569.92   90.618   39.538   4.4357   42.348   8.0405   38.309   5.3181  1582.78  164.646  1535.89  111.337 46.88074 198.7565 
1 1 1  -23    5   24 o  1991.18   93.907   63.659   5.8550   60.167   7.1564   70.730   10.182  1917.63  119.783  2045.88  160.227 -128.2533 200.0519 
1 1 1  -23    5   26 o  263.945  118.116  -0.7195   2.0065   1.2347   2.6922  -3.1615   3.0095  370.325  149.781  276.688  130.937 93.63699 198.9445 
1 1 1  -23    5   28 o  749.681  119.166   9.3961   2.7037   11.419   3.4691   6.2656   4.3152  818.891  140.342  597.953  197.934 220.9385 242.6391 
1 1 1  -23    5   30 o  1031.82  102.323   17.385   3.2623   18.991   3.9856   14.125   5.6790  1070.36  121.045  874.302  210.061 196.0563 242.4404 
1 1 1  -23    5   32 o  781.170  123.591   10.232   2.9225   10.116   3.6555   10.437   4.8651  761.675  158.434  754.192  201.973 7.483337 256.6991 
1 1 1  -23    5   34 o  606.015  172.079   6.5259   3.4179   4.3987   5.1314   8.2222   4.5822  546.752  211.205  670.266  201.786 -123.5138 292.1043 
1 1 1  -23    5   36 o  428.651  150.471   2.8920   2.4997  -0.1298   3.4237   6.3419   3.6582  362.573  158.609  594.233  180.610 -231.6597 240.3679 
1 1 1  -23    5   38 o  1200.94   87.899   23.432   3.2824   23.115   4.8862   23.692   4.4312  1163.80  136.688  1188.99  120.695 -25.19275 182.3478 
1 1 1  -23    5   40 o  1477.42  100.000   35.953   4.5989   37.584   5.7009   32.912   7.7821  1492.06  123.123  1329.94  192.471 162.1224 228.4828 
1 1 1  -23    5   42 o  2483.68   89.190  100.716   6.9363  100.660   9.8243  100.772   9.7945  2425.34  129.835  2427.50  129.323 -2.154053 183.2524 
1 1 1  -23    5   44 o  1356.08   87.160   30.244   3.6814   32.635   5.2207   27.880   5.1920  1377.74  122.288  1262.32  133.376 115.4215 180.9514 
1 1 1  -23    5   46 o  1161.15   89.134   22.508   3.2161   22.687   4.3634   22.296   4.7587  1132.90  125.088  1107.30  140.402 25.60596 188.0418 
1 1 1  -23    5   48 o  2475.77   91.087  104.536   7.0613   98.386   9.9094  110.881   10.065  2277.34  139.638  2439.74  132.242 -162.3962 192.3197 
1 1 1  -23    5   50 o  886.164  125.652   15.366   3.3889   15.156   4.0577   15.850   6.1622  827.876  162.331  681.927  236.427 145.9493 286.7915 
1 1 1  -23    5   52 o  1688.73  106.247   55.292   5.5895   55.208   6.7462   55.476   9.9825  1591.77  136.678  1164.58  277.663 427.1835 309.4791 
1 1 1  -23    5   54 o  1305.31  116.385   36.550   4.7070   35.330   5.5984   39.493   8.6945  1165.70  157.403  745.536  277.895 420.1642 319.3765 
1 1 1  -23    5   56 o  738.585  135.504   13.909   3.0183   10.551   4.0025   18.337   4.5959  460.098  183.842  649.173  203.346 -189.0748 274.1303 
1 1 1  -23    5   58 o  1717.10  104.392   68.584   5.5861   58.207   7.6790   80.249   8.1413  996.300  247.302  1439.64  184.874 -443.3364 308.7663 
1 1 1  -23    5   60 o  250.203  119.504   2.7605   2.6257   0.6369   3.3678   6.0520   4.1929  222.819  111.731  266.025  131.991 -43.20595 172.9320 
1 1 1  -23    6    1 o  429.898  118.194   3.0561   1.6405   3.4403   2.0773   2.4196   2.6739  457.640  135.435  422.608  154.717 35.03128 205.6213 
1 1 1  -23    6    3 o  866.354   80.403   11.977   2.1563   12.549   2.9237   11.294   3.1929  880.440  108.338  829.480  126.973 50.95984 166.9112 
1 1 1  -23    6    5 o  386.408  117.121   2.4097   1.5399   3.6304   2.0727   0.9058   2.3005  468.714  134.316  343.097  138.567 125.6170 192.9811 
1 1 1  -23    6    7 o  237.196  101.092   0.0090   1.3211  -0.6516   1.7931   0.7935   1.9540  252.227  112.352  317.978  127.957 -65.75056 170.2819 
1 1 1  -23    6    9 o  870.634   85.313   12.124   2.2959   13.281   3.4760   11.228   3.0578  900.834  126.733  828.494  121.479 72.34088 175.5522 
1 1 1  -23    6   11 o  1344.21   78.637   28.688   3.2955   25.474   4.7895   31.577   4.5413  1253.45  123.641  1403.39  104.086 -149.9465 161.6200 
1 1 1  -23    6   13 o  1291.68   75.370   26.477   3.0352   28.740   4.4297   24.474   4.1670  1337.17  106.685  1232.56  109.097 104.6144 152.5899 
1 1 1  -23    6   15 o  441.917  134.778   3.1884   2.0346   4.9781   4.0658   2.5905   2.3500  560.521  192.176  418.191  145.946 142.3295 241.3129 
1 1 1  -23    6   17 f  963.399   93.505   14.924   2.7852   15.628   5.0525   14.616   3.3382  956.863  175.083  947.061  114.922 9.802185 209.4301 
1 1 1  -23    6   19 o  601.160  158.282   6.1912   3.0204   2.3201   4.6328   9.0532   3.9835  486.994  196.654  721.723  177.500 -234.7289 264.9134 
1 1 1  -23    6   21 o  1843.88  113.710   55.134   6.5331   53.981   9.2724   56.271   9.2064  1789.08  167.467  1830.80  162.277 -41.72339 233.1933 
1 1 1  -23    6   23 o  1407.98   94.064   31.918   4.1232   33.207   5.1623   29.648   6.8524  1425.84  116.646  1316.71  170.184 109.1323 206.3222 
1 1 1  -23    6   25 o  2573.05  101.691  106.793   8.1931  107.319   10.055  105.754   14.133  2559.81  125.446  2474.71  183.699 85.10791 222.4460 
1 1 1  -23    6   27 o  2881.12  106.033  134.394   9.5658  138.332   11.755  126.673   16.459  2899.64  129.467  2685.82  197.080 213.8210 235.8016 
1 1 1  -23    6   29 o  997.953  106.924   16.298   3.2892   18.185   4.2009   13.308   5.2876  1043.73  131.456  856.381  200.688 187.3459 239.9094 
1 1 1  -23    6   31 o  937.867  110.463   14.453   3.1818   15.161   4.0899   13.368   5.0640  946.838  142.353  863.043  192.309 83.79547 239.2635 
1 1 1  -23    6   33 o  1439.40  115.383   33.992   5.1567   40.701   7.4243   27.739   7.1679  1548.36  155.223  1253.21  188.499 295.1486 244.1848 
1 1 1  -23    6   35 o  1866.88  118.176   57.384   6.8725   62.161   9.6727   52.514   9.7664  1901.18  164.090  1727.76  183.324 173.4155 246.0349 
1 1 1  -23    6   37 o  1649.70   83.800   43.877   4.3145   43.130   6.2038   44.577   6.0044  1608.22  124.158  1640.14  117.698 -31.92139 171.0791 
1 1 1  -23    6   39 o  2355.91   87.410   89.823   6.4482   93.632   9.1920   86.132   9.0479  2363.29  124.657  2262.09  128.266 101.1975 178.8621 
1 1 1  -23    6   41 o  1248.03  104.682   25.855   4.0531   26.018   5.0457   25.558   6.8050  1231.15  132.998  1167.35  192.909 63.79846 234.3125 
1 1 1  -23    6   43 o  2128.88   85.914   73.876   5.7270   70.971   8.1261   76.744   8.0727  2034.95  128.184  2125.16  121.822 -90.20642 176.8382 
1 1 1  -23    6   45 o  1681.48   85.004   46.544   4.4610   45.623   6.2598   47.495   6.3591  1620.59  124.305  1654.50  123.641 -33.90649 175.3253 
1 1 1  -23    6   47 o  3226.34  102.771  178.865   10.382  159.213   14.616  198.882   14.751  2851.38  164.398  3264.01  144.330 -412.6326 218.7641 
1 1 1  -23    6   49 o  1600.54  101.144   45.630   5.0429   43.956   5.9966   49.674   9.3200  1518.87  127.260  1398.25  220.148 120.6147 254.2838 
1 1 1  -23    6   51 o  1228.04  107.257   28.640   4.0830   27.073   4.7935   32.782   7.7931  1132.82  137.988  965.400  254.274 167.4210 289.3024 
1 1 1  -23    6   53 o  320.318  140.248   2.0691   2.6821   2.4862   3.0275   0.5474   5.7825  333.834  147.480  327.809  161.210 6.024902 218.4928 
1 1 1  -23    6   55 o  2024.04   97.590   82.878   6.1850   82.058   8.6715   83.727   8.8243  1691.45  165.861  1698.00  168.180 -6.550415 236.2076 
1 1 1  -23    6   57 o  1538.89   99.869   51.492   4.7863   44.543   6.5560   59.424   7.0040  1047.68  207.184  1347.77  169.729 -300.0909 267.8304 
1 1 1  -23    6   59 o  517.371  178.654   13.667   3.5168   14.691   4.0954   10.790   6.8630  455.016  184.492  282.708  143.679 172.3088 233.8391 
1 1 1  -23    7    2 o  890.664  114.800   12.894   3.1271   12.894   3.1271   0.0000   0.0000  890.664  114.800  ?   ?  0.000000 114.8000 
1 1 1  -23    7    4 o  561.818  120.226   5.2448   2.0511   5.8307   2.4583   3.9027   3.7208  589.949  135.881  514.709  183.288 75.24011 228.1621 
1 1 1  -23    7    6 o  1172.72   87.776   21.925   3.1998   23.513   3.9256   18.782   5.5238  1210.23  104.619  1057.59  172.768 152.6389 201.9753 
1 1 1  -23    7    8 o  1151.85   92.120   21.197   3.2947   25.418   4.1637   14.128   5.3884  1257.91  106.717  905.899  195.681 352.0067 222.8892 
1 1 1  -23    7   10 f  538.005  139.533   4.8555   2.3705   5.9629   2.9912   2.9857   3.8867  593.964  158.054  486.584  184.838 107.3806 243.1999 
1 1 1  -23    7   12 o  1623.50   91.895   42.016   4.6524   42.775   5.7424   40.566   7.9368  1630.71  113.160  1564.98  164.422 65.73120 199.5993 
1 1 1  -23    7   14 o  1278.19  117.710   26.448   4.6582   28.681   6.8106   24.486   6.3853  1309.19  170.161  1206.46  174.061 102.7313 243.4169 
1 1 1  -23    7   16 o  1141.18  117.516   21.157   4.1392   20.797   6.0480   21.473   5.6769  1105.06  181.057  1130.59  165.235 -25.52710 245.1213 
1 1 1  -23    7   18 o  1000.53  121.614   16.392   3.7317   16.100   5.3979   16.659   5.1646  965.226  185.335  987.744  173.306 -22.51819 253.7406 
1 1 1  -23    7   20 o  896.887  112.233   13.154   3.0829   11.422   3.8531   16.235   5.1396  819.093  155.925  971.325  175.440 -152.2318 234.7162 
1 1 1  -23    7   22 o  461.948  143.631   3.5308   2.2977   2.5246   2.7940   5.6331   4.0385  426.968  157.852  578.469  191.483 -151.5013 248.1598 
1 1 1  -23    7   24 o  450.111  146.743   3.2926   2.3751   4.7791   3.1515   1.3383   3.6135  532.018  168.621  416.817  171.647 115.2006 240.6151 
1 1 1  -23    7   26 f  2297.42   96.253   84.789   6.9242   95.238   8.5660   65.091   11.761  2423.33  112.888  1929.16  197.487 494.1748 227.4749 
1 1 1  -23    7   28 o  709.178  136.655   8.5274   2.9245   4.9378   3.6740   14.735   4.8316  544.331  182.701  919.740  174.144 -375.4088 252.4001 
1 1 1  -23    7   30 o  2883.05  107.546  134.369   9.7088  131.719   11.921  139.588   16.731  2829.39  134.556  2841.96  189.097 -12.57227 232.0843 
1 1 1  -23    7   32 o  335.002  142.845   0.2420   2.6401  -1.0419   3.9715   1.2587   3.5340  372.213  166.399  409.871  169.365 -37.65735 237.4300 
1 1 1  -23    7   34 o  637.399  144.658   7.0197   2.8210   4.5182   3.5000   11.658   4.7659  521.976  178.307  803.097  192.105 -281.1211 262.1028 
1 1 1  -23    7   36 f  2251.03   84.534   81.356   5.9584   85.879   8.4933   76.973   8.3612  2282.19  119.267  2155.54  124.407 126.6467 172.3417 
1 1 1  -23    7   38 o  486.472  144.299   4.1082   2.3561   4.0481   3.3855   4.1645   3.2811  494.796  174.980  497.862  172.526 -3.065796 245.7303 
1 1 1  -23    7   40 o  950.747  102.247   14.964   2.9961   17.686   4.3661   12.541   4.1188  1010.81  141.851  835.796  163.238 175.0124 216.2601 
1 1 1  -23    7   42 o  833.447  133.044   12.056   3.3553   12.274   4.0970   11.612   5.8473  820.444  165.192  750.963  228.363 69.48181 281.8479 
1 1 1  -23    7   44 o  1417.03   87.813   33.011   3.8771   34.661   5.5369   31.425   5.4309  1417.26  126.083  1344.60  130.639 72.65808 181.5585 
1 1 1  -23    7   46 o  1772.59   99.260   53.183   5.4872   52.105   6.6954   55.387   9.5757  1716.84  125.414  1660.26  187.479 56.58337 225.5597 
1 1 1  -23    7   48 o  2146.90  101.797   80.675   6.8433   72.415   8.3046   98.148   12.079  1950.86  136.815  2131.08  182.783 -180.2217 228.3153 
1 1 1  -23    7   50 o  1840.68  101.685   61.809   5.8380   54.461   7.0404   77.983   10.445  1630.97  139.191  1784.99  189.788 -154.0135 235.3589 
1 1 1  -23    7   52 o  1721.84   91.795   54.634   4.9313   55.472   6.8239   53.718   7.1342  1592.19  138.247  1525.55  151.347 66.64307 204.9828 
1 1 1  -23    7   54 o  1095.91  103.017   24.195   3.4936   22.608   4.6779   26.198   5.2534  904.624  171.419  942.129  184.681 -37.50507 251.9751 
1 1 1  -23    7   56 o  1424.69  119.633   47.202   5.2875   44.689   6.3306   53.000   9.6152  1196.94  174.005  692.653  282.001 504.2848 331.3642 
1 1 1  -23    7   58 o  1077.23  138.624   32.951   4.5674   32.958   5.4174   32.934   8.4932  878.999  201.176  402.874  197.568 476.1255 281.9660 
1 1 1  -23    8    1 o  1360.41   85.694   29.464   3.6317   24.190   4.3831   41.014   6.4864  1223.46  115.791  1589.38  131.515 -365.9215 175.2249 
1 1 1  -23    8    3 f  600.703  141.874   6.0685   2.6260   6.0685   2.6260   0.0000   0.0000  600.703  141.874  ?   ?  0.000000 141.8738 
1 1 1  -23    8    5 o  710.864  114.449   8.2770   2.4610   9.6031   3.1970   6.3481   3.8557  759.803  139.518  614.247  185.139 145.5553 231.8224 
1 1 1  -23    8    7 o  448.247  138.607   3.2537   2.1431   1.3274   2.6188   7.1595   3.7291  376.081  149.204  648.265  178.190 -272.1841 232.4080 
1 1 1  -23    8    9 o  1209.41   94.158   23.384   3.5376   22.556   4.4262   24.848   5.8861  1179.57  121.578  1225.30  157.028 -45.72144 198.5931 
1 1 1  -23    8   11 o  669.468  148.580   7.5568   3.0333   9.8821   4.3654   5.3861   4.2179  757.341  185.545  579.831  195.751 177.5097 269.7132 
1 1 1  -23    8   13 o  704.444  149.397   8.3704   3.1932   5.7328   4.9319   10.274   4.1900  603.322  211.382  773.757  176.803 -170.4350 275.5750 
1 1 1  -23    8   15 o  579.838  164.027   5.7039   3.1115   7.4699   4.7033   4.3294   4.1493  660.422  205.520  538.056  193.346 122.3661 282.1727 
1 1 1  -23    8   17 f  579.353  159.646   5.7172   2.9889   2.6791   4.7490   7.7100   3.8463  502.076  200.376  667.472  179.938 -165.3956 269.3108 
1 1 1  -23    8   19 o  610.112  142.237   6.3216   2.6672   10.407   3.4223  -0.0000   4.2568  786.122  144.349  412.861  178.770 373.2611 229.7722 
1 1 1  -23    8   21 o  1263.29   93.970   25.649   3.6906   23.802   4.5571   29.167   6.2909  1205.90  122.383  1319.67  155.206 -113.7687 197.6523 
1 1 1  -23    8   23 o  586.852  141.990   5.8776   2.5809   6.4331   3.3488   5.0650   4.0503  609.366  169.392  557.554  191.771 51.81213 255.8707 
1 1 1  -23    8   25 o  1522.73   95.849   37.297   4.5468   36.110   5.6298   39.522   7.7105  1486.02  122.069  1530.17  163.454 -44.15051 204.0055 
1 1 1  -23    8   27 o  1471.14   92.146   34.750   4.2233   38.283   5.2252   28.092   7.1723  1536.78  109.299  1274.90  185.075 261.8849 214.9398 
1 1 1  -23    8   29 o  1704.22   95.199   46.669   5.0598   45.968   6.1998   48.068   8.7558  1679.51  118.654  1685.24  168.174 -5.728882 205.8188 
1 1 1  -23    8   31 o  928.190  134.259   14.387   3.7887   14.720   5.4575   14.077   5.2639  908.891  197.415  889.911  194.348 18.98010 277.0269 
1 1 1  -23    8   33 o  1389.02   96.287   31.159   4.1620   29.110   5.1472   35.028   7.0739  1328.47  125.216  1436.26  160.012 -107.7913 203.1821 
1 1 1  -23    8   35 o  784.760  107.383   10.166   2.5695   11.788   3.6811   8.6253   3.5883  828.926  147.213  698.763  166.387 130.1622 222.1628 
1 1 1  -23    8   37 o  1906.22   82.404   58.310   4.9186   57.718   6.9477   58.906   6.9642  1868.50  119.372  1888.52  118.368 -20.02222 168.1093 
1 1 1  -23    8   39 o  2399.42   86.510   92.910   6.4997   92.199   9.2209   93.612   9.1632  2348.72  125.836  2368.90  123.964 -20.18018 176.6405 
1 1 1  -23    8   41 o  1427.13   85.717   33.066   3.8127   40.651   5.4540   25.816   5.3319  1563.61  112.140  1223.07  141.859 340.5411 180.8297 
1 1 1  -23    8   43 o  3120.76  115.456  163.469   11.282  162.160   13.827  166.078   19.515  3050.09  144.777  2908.72  215.803 141.3733 259.8683 
1 1 1  -23    8   45 o  2753.84  110.549  128.861   9.5326  120.215   11.679  146.119   16.500  2585.78  144.823  2712.23  195.600 -126.4500 243.3781 
1 1 1  -23    8   47 o  1031.38  119.616   19.146   3.7913   20.036   4.7113   17.510   6.3862  1016.38  152.761  830.664  234.994 185.7174 280.2820 
1 1 1  -23    8   49 o  1701.12   89.940   50.435   4.7738   47.315   6.7229   53.608   6.7796  1539.01  141.079  1662.06  131.340 -123.0470 192.7523 
1 1 1  -23    8   51 o  1470.04   93.930   39.349   4.3011   37.434   5.9454   41.452   6.2298  1308.75  147.661  1380.41  146.360 -71.66199 207.9068 
1 1 1  -23    8   53 o  2520.10  126.834  136.907   9.9765  127.718   12.126  156.156   17.551  2147.51  182.046  1585.85  361.476 561.6615 404.7296 
1 1 1  -23    8   55 o  1790.03  115.143   69.945   6.4195   62.931   7.7801   84.908   11.363  1467.53  172.607  1203.97  301.951 263.5630 347.8042 
1 1 1  -23    8   57 o  1158.89  174.670   44.231   6.1416   35.854   8.1121   55.480   9.4006  529.452  237.174  676.435  277.505 -146.9827 365.0488 
1 1 1  -23    8   59 o  773.281  216.605   32.748   5.4539   34.305   7.3049   30.786   8.1980  449.886  210.068  362.007  180.420 87.87903 276.9113 
1 1 1  -23    9    2 o  2104.22   80.508   70.110   5.3045   64.992   7.5128   75.199   7.4907  2008.91  119.981  2165.72  110.830 -156.8170 163.3364 
1 1 1  -23    9    4 o  406.723  154.334   2.0084   2.7078   2.0084   2.7078   0.0000   0.0000  406.723  154.334  ?   ?  0.000000 154.3338 
1 1 1  -23    9    6 o  1423.65   89.822   32.297   3.9836   28.080   4.9172   40.348   6.7948  1317.69  120.511  1573.59  139.342 -255.9034 184.2264 
1 1 1  -23    9    8 o  529.096  158.830   4.6425   2.8420   0.2375   4.0675   8.8439   3.9725  413.465  176.828  718.476  177.590 -305.0119 250.6119 
1 1 1  -23    9   10 o  209.497  102.143  -3.8906   2.1751  -6.9383   3.1342  -1.0590   3.0210  234.244  115.848  325.488  145.346 -91.24394 185.8660 
1 1 1  -23    9   12 o  363.711  147.766   0.9898   2.6330   2.2914   3.6906  -0.3594   3.7575  455.523  178.235  383.018  166.893 72.50485 244.1746 
1 1 1  -23    9   14 o  1346.77  114.691   29.312   4.7905   25.347   6.7558   33.322   6.7941  1223.17  181.929  1418.85  155.470 -195.6808 239.3095 
1 1 1  -23    9   16 o  717.755  132.437   8.5903   2.8668   6.7489   3.6435   11.583   4.6451  627.349  177.505  817.479  185.697 -190.1294 256.8879 
1 1 1  -23    9   18 o  1457.58   92.070   33.992   4.1805   38.671   5.2392   25.791   6.9358  1548.66  108.730  1228.07  186.207 320.5886 215.6278 
1 1 1  -23    9   20 o  1940.60   93.606   60.115   5.6880   62.187   7.0332   56.197   9.6706  1961.14  115.036  1829.51  170.786 131.6296 205.9158 
1 1 1  -23    9   22 o  1788.99   94.529   51.269   5.2765   51.364   6.5293   51.091   8.9583  1779.58  117.841  1745.73  165.874 33.85046 203.4716 
1 1 1  -23    9   24 o  1009.70  126.475   16.779   3.9109   16.779   3.9109   0.0000   0.0000  1009.70  126.475  ?   ?  0.000000 126.4753 
1 1 1  -23    9   26 o  1191.30   99.224   22.871   3.6676   21.032   4.5507   26.278   6.1954  1130.18  131.024  1249.63  162.156 -119.4558 208.4750 
1 1 1  -23    9   28 o  2286.89   82.436   83.189   5.9031   81.889   8.3471   84.489   8.3493  2247.02  119.059  2283.74  117.152 -36.72241 167.0319 
1 1 1  -23    9   30 o  3243.53  111.228  169.729   11.297  168.248   19.640  170.460   13.810  3120.39  202.094  3226.26  136.699 -105.8694 243.9847 
1 1 1  -23    9   32 o  823.070  103.673   11.065   2.6126   13.630   3.7878   8.7380   3.6083  901.407  138.641  708.780  165.575 192.6275 215.9541 
1 1 1  -23    9   34 o  404.452  134.382   2.6052   1.9883   2.2971   2.8905   2.8819   2.7394  419.135  159.356  438.333  157.145 -19.19879 223.8054 
1 1 1  -23    9   36 f  1785.37   96.492   51.593   5.3743   62.610   9.3773   46.204   6.5582  1916.84  157.631  1669.89  126.359 246.9495 202.0254 
1 1 1  -23    9   38 o  891.553  102.240   13.076   2.8026   12.944   4.1135   13.190   3.8287  859.541  158.684  875.388  144.739 -15.84723 214.7785 
1 1 1  -23    9   40 o  2472.99  101.195   99.809   7.8361   96.262   9.6398  106.717   13.454  2395.69  128.980  2453.69  176.289 -58.00488 218.4345 
1 1 1  -23    9   42 o  1669.10   96.248   45.703   5.0089   45.643   6.1472   45.821   8.6407  1647.47  119.988  1589.51  176.592 57.95752 213.4986 
1 1 1  -23    9   44 o  1137.78  109.310   21.913   3.8464   22.960   4.6491   19.642   6.8477  1145.86  131.989  960.303  230.630 185.5548 265.7273 
1 1 1  -23    9   46 o  690.020  127.522   8.6643   2.6538   8.5819   3.6825   8.7534   3.8277  644.846  177.002  647.078  181.536 -2.231567 253.5449 
1 1 1  -23    9   48 o  978.448  127.165   18.013   3.8039   19.974   4.5879   13.700   6.8041  997.756  151.621  652.307  245.305 345.4497 288.3809 
1 1 1  -23    9   50 o  1361.22  112.374   34.941   4.7469   36.153   5.8715   32.654   8.0657  1314.48  145.068  995.538  256.989 318.9465 295.1067 
1 1 1  -23    9   52 o  2208.32  116.103   97.476   8.0001   99.458   9.7824   93.473   13.901  2081.46  151.123  1364.49  329.162 716.9678 362.1956 
1 1 1  -23    9   54 o  930.271  178.483   24.414   5.0099   26.876   6.5226   20.871   7.8239  772.987  242.268  507.623  229.668 265.3638 333.8281 
1 1 1  -23    9   56 o  1181.55  174.479   42.849   6.2610   34.850   8.4621   52.524   9.3069  560.807  247.219  775.820  287.845 -215.0126 379.4361 
1 1 1  -23    9   58 o  1418.33  219.872   92.162   9.4488   89.235   13.047   95.391   13.702  507.539  248.043  494.846  244.267 12.69278 348.1260 
1 1 1  -23   10    1 o  509.170  121.131   4.3213   1.9032   2.8189   2.7581   5.6868   2.6294  442.930  157.798  581.297  144.954 -138.3672 214.2705 
1 1 1  -23   10    3 o  1079.40   80.906   18.544   2.7146   21.002   3.9397   16.321   3.7458  1141.10  111.692  1001.65  121.948 139.4511 165.3672 
1 1 1  -23   10    5 o  374.969  134.003   1.9677   1.9905   2.4635   2.6360   1.3100   3.0363  423.194  153.817  395.827  159.428 27.36661 221.5331 
1 1 1  -23   10    7 o  836.029  101.320   11.289   2.5982   10.413   4.6007   11.699   3.1483  777.100  190.535  845.549  122.478 -68.44867 226.5044 
1 1 1  -23   10    9 o  522.289  130.057   4.5649   2.1189  -0.2427   4.1752   6.2325   2.4590  406.903  176.618  610.559  132.435 -203.6563 220.7554 
1 1 1  -23   10   11 o  850.323  100.770   11.677   2.6309   11.384   4.8763   11.797   3.1247  810.695  194.570  849.216  120.924 -38.52057 229.0857 
1 1 1  -23   10   13 o  262.572  112.685  -0.0545   1.6621  -3.3464   2.5842   2.2685   2.1708  248.304  118.586  396.564  140.128 -148.2603 183.5710 
1 1 1  -23   10   15 o  590.320  117.356   5.7832   2.0929   8.2632   3.1164   3.7458   2.8246  700.233  146.824  485.262  160.115 214.9704 217.2417 
1 1 1  -23   10   17 o  1353.77   90.569   29.282   3.8171   27.730   6.8124   29.991   4.6084  1283.53  173.988  1364.17  108.791 -80.64429 205.2004 
1 1 1  -23   10   19 o  480.861  123.936   3.8712   1.8778   4.5025   2.8989   3.4148   2.4649  521.239  161.210  461.352  149.434 59.88690 219.8163 
1 1 1  -23   10   21 o  909.044   89.792   13.273   2.5225   10.235   3.7360   15.818   3.4196  776.045  159.090  986.451  112.733 -210.4058 194.9831 
1 1 1  -23   10   23 o  1575.70   93.241   39.700   4.5800   40.719   5.5544   37.535   8.0951  1588.45  112.399  1492.69  176.618 95.75879 209.3498 
1 1 1  -23   10   25 o  2264.02   83.547   81.409   5.9228   86.897   8.4844   76.192   8.2719  2320.51  117.146  2169.63  122.258 150.8838 169.3228 
1 1 1  -23   10   27 o  1248.57   83.206   24.872   3.2344   26.561   4.6488   23.286   4.5029  1278.97  117.392  1195.14  122.038 83.83508 169.3345 
1 1 1  -23   10   29 o  2624.56  102.521  110.387   8.4254  104.410   14.643  113.345   10.302  2478.36  190.133  2645.16  124.375 -166.8037 227.2001 
1 1 1  -23   10   31 o  1861.32   80.535   55.099   4.6938   56.462   6.6862   53.774   6.5908  1866.00  114.993  1820.21  116.245 45.79517 163.5127 
1 1 1  -23   10   33 o  388.049  136.967   2.2304   2.0734   4.7910   3.1287   0.2254   2.7686  532.396  167.932  342.484  146.164 189.9123 222.6324 
1 1 1  -23   10   35 o  1112.30   93.624   20.013   3.2305   20.183   4.5162   19.834   4.6228  1099.13  133.996  1086.95  139.010 12.18274 193.0772 
1 1 1  -23   10   37 o  1425.42  125.638   33.714   5.5503   33.953   7.7205   33.458   7.9848  1389.61  181.793  1371.79  191.081 17.82544 263.7439 
1 1 1  -23   10   39 o  988.654  112.201   16.194   3.4119   17.823   4.1038   12.547   6.1403  1028.28  130.383  802.869  231.506 225.4079 265.6969 
1 1 1  -23   10   41 o  806.998  126.347   11.104   3.0879   11.448   3.8018   10.439   5.2934  802.921  156.843  731.545  216.112 71.37604 267.0281 
1 1 1  -23   10   43 o  1365.93  105.700   31.152   4.4856   32.303   5.5099   28.888   7.7242  1369.74  130.025  1211.55  211.292 158.1953 248.0948 
1 1 1  -23   10   45 o  1794.44  100.909   54.449   5.6469   54.160   6.8953   55.036   9.8401  1753.35  126.441  1651.05  194.037 102.3060 231.5986 
1 1 1  -23   10   47 o  1226.75  109.799   26.678   4.1730   27.152   5.1549   25.776   7.1083  1195.51  140.376  1030.56  226.461 164.9504 266.4395 
1 1 1  -23   10   49 o  1110.29  120.085   23.293   4.1084   23.709   4.9775   22.405   7.2771  1066.64  153.446  824.833  255.470 241.8094 298.0110 
1 1 1  -23   10   51 o  320.719  151.237  -0.0488   3.9505  -2.4649   5.7764   2.0745   5.4150  329.200  161.739  373.817  176.515 -44.61691 239.4096 
1 1 1  -23   10   53 o  1083.67  173.287   30.525   5.6819   32.266   7.8911   28.651   8.1881  809.897  267.643  683.157  265.985 126.7396 377.3336 
1 1 1  -23   10   55 o  1308.81  178.096   50.296   7.1092   42.368   10.053   58.226   10.055  604.771  267.883  910.408  302.173 -305.6372 403.8190 
1 1 1  -23   10   57 o  335.953  149.633   4.5570   3.1797   1.9173   3.6025   13.865   6.7646  283.543  136.598  368.181  179.647 -84.63831 225.6819 
1 1 1  -23   11    2 f  352.150  128.844   1.6325   1.8539   0.8840   2.6327   2.3688   2.6111  361.082  147.347  418.802  152.957 -57.71973 212.3840 
1 1 1  -23   11    4 o  485.024  140.169   3.8856   2.2487   8.7157   4.1175   1.8327   2.6844  714.019  183.247  399.320  153.150 314.6991 238.8189 
1 1 1  -23   11    6 o  1190.18   93.163   22.618   3.4442   21.025   6.1969   23.331   4.1431  1116.66  183.615  1204.01  111.149 -87.35620 214.6357 
1 1 1  -23   11    8 o  577.696  131.397   5.5757   2.3232   7.1132   4.3092   4.9458   2.7584  648.799  195.762  544.065  154.625 104.7336 249.4627 
1 1 1  -23   11   10 o  739.374   99.128   8.8455   2.2372   7.7331   3.4493   9.6532   2.9393  674.858  164.684  765.625  127.059 -90.76697 208.0017 
1 1 1  -23   11   12 o  1133.06   81.495   20.428   2.8720   17.410   4.1331   23.247   3.9938  1032.13  130.824  1202.35  107.207 -170.2207 169.1395 
1 1 1  -23   11   14 f  373.553  125.590   2.1190   1.7361   3.8743   2.5713   0.6483   2.3536  487.800  151.985  336.162  138.492 151.6385 205.6199 
1 1 1  -23   11   16 o  564.989  122.509   5.3179   2.1049   4.1135   3.0911   6.3592   2.8742  508.089  167.493  613.352  150.728 -105.2621 225.3283 
1 1 1  -23   11   18 o  2072.22   79.997   68.002   5.1907   70.564   7.3965   65.516   7.2863  2096.20  113.106  2018.41  115.771 77.78235 161.8516 
1 1 1  -23   11   20 o  1403.27   79.876   31.283   3.4952   31.659   5.0117   30.926   4.8770  1400.88  115.276  1385.12  113.443 15.75366 161.7336 
1 1 1  -23   11   22 o  1731.29   94.055   47.812   5.0797   49.355   6.2735   44.875   8.6561  1751.15  115.051  1642.80  170.771 108.3591 205.9116 
1 1 1  -23   11   24 o  1600.65   81.117   40.699   4.0523   37.045   5.7773   44.238   5.6855  1512.68  123.038  1659.11  110.065 -146.4358 165.0835 
1 1 1  -23   11   26 o  785.902   98.858   9.9961   2.3789   11.396   3.5746   8.8828   3.1873  826.555  143.307  727.086  145.080 99.46881 203.9241 
1 1 1  -23   11   28 o  637.901  117.198   6.7386   2.2547   7.7146   3.3837   5.9591   3.0238  671.417  162.660  591.552  159.573 79.86584 227.8634 
1 1 1  -23   11   30 o  1927.18   93.189   59.270   5.6234   67.788   10.001   55.333   6.8002  2019.26  159.474  1848.07  118.131 171.1855 198.4616 
1 1 1  -23   11   32 o  3834.20  108.792  236.898   13.061  234.760   18.512  239.018   18.431  3759.07  157.275  3796.06  155.061 -36.99219 220.8605 
1 1 1  -23   11   34 o  2417.47  101.749   94.093   7.7021   92.223   9.4484   97.796   13.297  2371.65  127.701  2391.71  178.851 -20.06421 219.7616 
1 1 1  -23   11   36 f  3144.29  113.673  160.841   11.192  154.805   13.719  172.850   19.350  3050.67  143.620  3137.68  197.968 -87.01318 244.5773 
1 1 1  -23   11   38 o  1103.73  136.167   20.496   4.6062   21.759   6.5251   19.242   6.5033  1098.93  196.858  1022.76  210.098 76.17126 287.9133 
1 1 1  -23   11   40 o  1905.12   98.588   59.120   5.8610   60.929   7.1319   55.358   10.287  1916.94  119.411  1754.36  190.309 162.5824 224.6693 
1 1 1  -23   11   42 o  2533.71  103.331  105.793   8.1980   97.712   9.9891  122.466   14.348  2392.06  133.902  2599.37  177.338 -207.3152 222.2128 
1 1 1  -23   11   44 o  2728.44  110.573  126.199   9.4467  122.593   11.533  133.550   16.467  2625.25  140.816  2571.96  206.207 53.28540 249.7004 
1 1 1  -23   11   46 o  512.675  173.548   5.4339   3.3154   5.0370   3.9247   6.4229   6.1954  494.149  186.211  532.646  222.508 -38.49783 290.1453 
1 1 1  -23   11   48 o  1516.71  137.981   44.554   6.4813   33.073   9.0118   56.855   9.3284  1028.72  274.624  1582.49  192.201 -553.7739 335.2004 
1 1 1  -23   11   50 o  370.461  166.632   2.0278   4.0490  -1.8790   5.9877   5.3195   5.4962  349.878  170.342  442.051  196.820 -92.17310 260.2971 
1 1 1  -23   11   52 o  1570.41  149.510   55.610   7.2632   63.879   10.245   47.254   10.299  1380.92  245.946  951.340  305.172 429.5762 391.9425 
1 1 1  -23   11   54 o  1098.68  135.226   27.377   4.5539   27.295   5.5462   27.548   7.9779  966.682  190.005  633.649  257.296 333.0321 319.8482 
1 1 1  -23   11   56 o  394.807  168.165   6.5934   3.6518   9.1663   4.3057  -0.0002   6.8929  428.261  182.512  298.527  150.913 129.7339 236.8234 
1 1 1  -23   12    1 o  1493.40   92.577   35.455   4.3078   32.958   7.5769   36.647   5.2364  1412.36  175.083  1513.36  111.283 -101.0072 207.4560 
1 1 1  -23   12    3 o  711.300  117.996   8.2763   2.5360   11.107   4.7671   7.1589   2.9949  806.760  191.566  653.703  149.555 153.0577 243.0313 
1 1 1  -23   12    5 o  636.716  124.291   6.6972   2.3891  -0.7717   4.1662   10.357   2.9162  396.382  174.141  796.716  120.672 -400.3340 211.8655 
1 1 1  -23   12    7 o  910.363   89.136   13.246   2.5083   13.808   3.6308   12.732   3.4692  919.614  129.691  882.493  129.389 37.12128 183.1979 
1 1 1  -23   12    9 o  1059.13   84.962   17.860   2.7940   20.591   4.0405   15.358   3.8677  1130.12  115.815  970.223  130.630 159.8991 174.5778 
1 1 1  -23   12   11 o  1589.56   77.671   39.917   3.8659   47.024   5.5888   33.396   5.3532  1716.05  104.508  1440.45  119.773 275.5992 158.9574 
1 1 1  -23   12   13 o  998.874   83.941   15.896   2.6011   16.567   3.6497   15.203   3.7080  1011.80  117.381  966.425  125.495 45.37067 171.8349 
1 1 1  -23   12   15 o  456.733  129.988   3.4380   1.9480   3.2460   2.8106   3.6154   2.7024  464.243  159.746  478.656  156.550 -14.41293 223.6661 
1 1 1  -23   12   17 o  986.442   86.137   15.523   2.6339   18.599   3.7759   12.607   3.6760  1073.49  114.080  874.576  138.874 198.9119 179.7227 
1 1 1  -23   12   19 o  1929.58   80.104   58.877   4.8398   56.518   6.8751   61.193   6.8145  1876.39  117.609  1955.02  111.782 -78.63342 162.2558 
1 1 1  -23   12   21 o  1978.24   94.234   62.136   5.8372   65.071   7.1901   56.463   9.9972  2014.73  114.445  1847.56  174.888 167.1650 209.0061 
1 1 1  -23   12   23 o  1391.75   80.594   30.748   3.4972   27.450   4.9744   33.972   4.9176  1302.52  123.441  1455.15  108.712 -152.6310 164.4866 
1 1 1  -23   12   25 o  2516.04   86.561  100.392   6.8195  103.207   9.6910   97.631   9.5983  2535.11  122.082  2461.32  124.950 73.78662 174.6896 
1 1 1  -23   12   27 o  3236.71   96.262  166.832   9.7560  161.723   13.841  171.876   13.754  3157.23  140.004  3259.00  134.779 -101.7788 194.3359 
1 1 1  -23   12   29 o  960.308   91.811   14.812   2.7271   13.274   4.0643   16.071   3.6779  889.614  151.324  991.879  120.922 -102.2655 193.7037 
1 1 1  -23   12   31 o  912.183  116.140   13.614   3.2420   13.533   4.1680   13.739   5.1587  895.407  154.223  886.691  191.411 8.716675 245.8106 
1 1 1  -23   12   33 o  1487.68   95.985   35.574   4.4474   41.924   5.5069   23.666   7.5413  1609.14  109.953  1150.90  217.227 458.2386 243.4688 
1 1 1  -23   12   35 o  2150.42   99.024   74.324   6.6678   74.359   8.1769   74.255   11.519  2132.94  122.953  2084.25  178.216 48.68530 216.5143 
1 1 1  -23   12   37 o  3824.67  127.877  240.259   15.314  231.548   18.764  257.637   26.503  3702.96  161.832  3775.59  225.204 -72.63770 277.3205 
1 1 1  -23   12   39 o  849.938  164.990   12.707   4.2327   12.268   5.9566   13.156   6.0156  800.203  227.152  829.502  225.625 -29.29816 320.1638 
1 1 1  -23   12   41 o  861.106  155.882   13.133   4.0484   13.133   4.0484   0.0000   0.0000  861.106  155.882  ?   ?  0.000000 155.8821 
1 1 1  -23   12   43 o  1264.62  110.667   27.057   4.3381   27.447   5.1854   26.146   7.9191  1252.36  134.330  1110.95  234.988 141.4102 270.6725 
1 1 1  -23   12   45 o  668.498  196.187   9.6299   4.3751   8.5597   6.3029   10.625   6.0779  597.768  233.192  657.466  234.243 -59.69739 330.5273 
1 1 1  -23   12   47 o  486.925  189.506   5.2259   4.1551   0.9062   5.5090   10.926   6.3281  406.859  187.333  616.078  235.415 -209.2195 300.8550 
1 1 1  -23   12   49 o  582.207  205.004   9.3448   4.6422   10.736   6.2795   7.6683   6.8934  566.951  228.949  495.976  220.654 70.97479 317.9707 
1 1 1  -23   12   51 o  1231.46  128.464   30.561   4.8807   28.728   5.7441   35.321   9.2561  1107.09  171.225  884.868  289.745 222.2241 336.5568 
1 1 1  -23   12   53 o  1806.40  119.516   66.820   6.7220   65.127   8.0256   70.799   12.304  1650.16  157.224  1094.39  330.914 555.7704 366.3655 
1 1 1  -23   12   55 o  2839.56  159.374  212.869   14.113  208.126   17.193  222.668   24.712  2248.99  248.281  725.683  351.613 1523.304 430.4363 
1 1 1  -23   13    2 o  1362.56   96.052   29.524   4.0718   25.764   7.1398   31.337   4.9570  1244.50  189.179  1399.62  114.100 -155.1204 220.9242 
1 1 1  -23   13    4 o  1672.94   80.165   44.156   4.1994   39.539   5.8859   48.944   5.9932  1571.10  120.563  1752.13  109.793 -181.0313 163.0641 
1 1 1  -23   13    6 o  237.541  109.641  -1.4906   1.9037   0.6321   2.2899  -6.2406   3.4254  333.383  136.888  261.235  127.547 72.14835 187.0999 
1 1 1  -23   13    8 f  1049.33   85.259   17.508   2.7771   12.787   3.8965   22.382   3.9592  881.167  146.356  1182.28  108.145 -301.1108 181.9766 
1 1 1  -23   13   10 o  1844.93   80.478   53.731   4.6491   52.129   6.5986   55.309   6.5514  1805.31  117.367  1861.22  112.949 -55.90833 162.8879 
1 1 1  -23   13   12 o  397.684  133.439   2.3915   1.9599   5.3834   2.7171  -0.8537   2.8297  568.008  150.395  320.613  142.064 247.3943 206.8837 
1 1 1  -23   13   14 o  1265.14   82.633   25.388   3.2555   24.416   4.6627   26.313   4.5474  1230.99  122.597  1280.55  114.623 -49.56018 167.8342 
1 1 1  -23   13   16 o  993.693   87.577   15.735   2.6971   16.072   3.9978   15.453   3.6539  993.703  131.729  976.682  122.150 17.02100 179.6475 
1 1 1  -23   13   18 o  2477.34   85.713   97.051   6.6489  101.444   9.4492   92.743   9.3574  2520.90  119.708  2405.42  124.664 115.4824 172.8326 
1 1 1  -23   13   20 o  1210.64   99.565   23.417   3.7408   20.124   4.5608   30.185   6.5392  1112.49  133.600  1357.17  156.762 -244.6758 205.9687 
1 1 1  -23   13   22 o  505.884  134.469   4.2579   2.1666   11.004   3.2471  -1.1555   2.9088  818.626  131.101  317.292  142.086 501.3343 193.3290 
1 1 1  -23   13   24 o  1955.47   81.312   60.486   4.9788   63.776   7.0776   57.262   7.0051  1995.19  113.759  1888.15  119.094 107.0376 164.6956 
1 1 1  -23   13   26 o  3078.49   94.243  150.600   9.0845  157.831   12.898  143.482   12.797  3129.64  131.619  2980.37  137.129 149.2676 190.0737 
1 1 1  -23   13   28 o  2041.63   95.062   66.349   6.0772   70.310   7.5778   59.210   10.173  2090.24  116.238  1885.85  174.251 204.3817 209.4632 
1 1 1  -23   13   30 o  419.010  150.342   2.5057   2.5079   3.4399   3.2315   1.0910   3.9768  481.110  170.866  429.891  178.813 51.21976 247.3245 
1 1 1  -23   13   32 f  2766.78  105.519  122.803   9.1416  128.760   11.244  111.189   15.701  2817.58  127.447  2550.69  198.137 266.8940 235.5866 
1 1 1  -23   13   34 o  1379.41  102.069   30.694   4.3774   31.555   5.4840   29.183   7.2666  1387.42  127.666  1303.96  183.011 83.45654 223.1401 
1 1 1  -23   13   36 o  1567.65  102.020   39.707   4.9806   39.922   6.1325   39.289   8.5366  1558.98  126.723  1508.33  184.600 50.65039 223.9101 
1 1 1  -23   13   38 o  2365.39  103.229   90.574   7.6458   91.100   9.3921   89.542   13.165  2348.49  128.205  2262.81  187.490 85.67358 227.1323 
1 1 1  -23   13   40 o  477.746  183.684   3.2983   3.8675   0.0000   5.6839   6.1418   5.2775  453.610  201.152  592.239  217.280 -138.6283 296.0956 
1 1 1  -23   13   42 f  3792.54  168.337  260.281   19.991  244.337   28.256  276.259   28.286  3324.65  273.859  3618.64  251.195 -293.9917 371.6150 
1 1 1  -23   13   44 f  2443.97  135.903  106.443   10.359   98.411   14.612  114.560   14.689  2152.04  219.924  2377.90  199.110 -225.8545 296.6674 
1 1 1  -23   13   46 o  1540.62  133.568   43.657   6.3797   36.454   8.8599   51.414   9.1939  1229.00  238.833  1556.30  192.790 -327.3035 306.9352 
1 1 1  -23   13   48 o  2194.87  109.644   86.347   7.5355   77.720   9.1792  104.178   13.196  1976.49  149.422  2115.08  201.699 -138.5901 251.0167 
1 1 1  -23   13   50 o  2040.06  111.947   77.554   7.1237   71.445   8.5251   91.690   12.968  1850.80  148.351  1793.98  236.637 56.81799 279.2939 
1 1 1  -23   13   52 o  1608.24  119.098   51.290   5.9549   44.909   7.0331   67.447   11.192  1377.93  166.373  1362.48  271.854 15.44995 318.7238 
1 1 1  -23   13   54 o  786.942  181.165   17.240   4.3717   16.220   5.0118   20.486   8.9401  667.599  212.752  490.711  230.178 176.8880 313.4406 
1 1 1  -23   14    1 o  439.108  153.061   2.7861   2.5843   4.8251   4.4978   1.7812   3.1575  573.438  201.805  421.319  164.859 152.1189 260.5836 
1 1 1  -23   14    3 o  1100.74   88.435   19.245   3.0224   19.184   4.2629   19.307   4.2857  1090.71  127.208  1094.19  127.475 -3.482422 180.0884 
1 1 1  -23   14    5 o  768.197  103.718   9.5077   2.4311   9.3128   3.4697   9.6957   3.4072  749.098  153.095  765.990  147.405 -16.89191 212.5238 
1 1 1  -23   14    7 o  795.398  150.073   10.456   3.6007   9.5409   4.9169   11.515   5.2875  751.249  203.833  823.386  205.683 -72.13770 289.5743 
1 1 1  -23   14    9 o  1380.26   82.185   30.152   3.5359   31.033   5.0369   29.296   4.9649  1392.88  116.558  1352.62  118.418 40.26672 166.1585 
1 1 1  -23   14   11 o  972.597   89.415   15.065   2.6926   11.559   3.7965   18.613   3.8194  836.869  150.410  1076.56  115.086 -239.6884 189.3885 
1 1 1  -23   14   13 o  1290.84   82.967   26.399   3.3357   23.402   4.6563   29.558   4.7809  1205.71  125.158  1359.55  113.338 -153.8434 168.8486 
1 1 1  -23   14   15 o  1779.58   80.497   49.959   4.4855   45.694   6.3012   54.340   6.3867  1690.17  119.839  1846.54  110.974 -156.3721 163.3298 
1 1 1  -23   14   17 o  1657.39   81.850   43.356   4.2478   47.061   6.0371   39.723   5.9779  1717.01  112.920  1574.19  122.233 142.8130 166.4091 
1 1 1  -23   14   19 o  848.558  113.012   11.646   2.9281   10.858   3.5178   13.423   5.2833  811.081  143.777  888.995  195.149 -77.91345 242.3941 
1 1 1  -23   14   21 o  764.690  120.853   9.5464   2.7976   7.6707   3.4468   13.167   4.7891  674.927  164.578  883.992  179.152 -209.0652 243.2721 
1 1 1  -23   14   23 o  1664.55   92.575   44.039   4.8061   47.466   5.9751   37.758   8.0888  1722.65  111.368  1512.08  174.015 210.5702 206.6014 
1 1 1  -23   14   25 o  693.440  130.563   7.9605   2.7309   9.7093   3.4960   5.2225   4.3742  761.741  151.897  579.249  199.290 182.4924 250.5774 
1 1 1  -23   14   27 o  1407.33  120.005   31.968   5.2377   34.168   7.6253   30.002   7.2069  1432.85  173.494  1340.40  175.961 92.44751 247.1081 
1 1 1  -23   14   29 o  1629.59   94.067   42.378   4.7795   42.326   5.9295   42.475   8.0755  1620.00  117.697  1601.68  163.304 18.32385 201.2976 
1 1 1  -23   14   31 o  2556.84  102.368  104.468   8.1957  100.384   10.035  112.648   14.203  2488.45  129.232  2599.68  175.501 -111.2354 217.9483 
1 1 1  -23   14   33 o  1535.12  101.707   37.868   4.8612   36.778   5.9689   40.015   8.3773  1501.52  128.183  1539.71  176.978 -38.19116 218.5223 
1 1 1  -23   14   35 o  1694.60  100.837   46.220   5.3265   41.783   6.6220   54.352   8.9649  1594.41  133.878  1801.84  160.579 -207.4280 209.0672 
1 1 1  -23   14   37 o  1287.69  109.069   27.028   4.3564   26.518   5.3438   28.040   7.5224  1260.99  137.570  1258.84  197.325 2.142578 240.5463 
1 1 1  -23   14   39 o  2272.63  129.205   86.131   9.1564   89.978   13.042   82.392   12.858  2250.17  186.792  2143.44  193.672 106.7397 269.0729 
1 1 1  -23   14   41 o  1024.34  159.024   18.768   4.9352   18.313   7.0751   19.198   6.8876  938.112  239.909  972.310  229.854 -34.19843 332.2490 
1 1 1  -23   14   43 o  1147.22  150.809   23.918   5.2862   19.162   7.8734   27.822   7.1329  891.313  263.639  1180.84  200.054 -289.5293 330.9487 
1 1 1  -23   14   45 o  1217.30  117.842   26.078   4.4355   22.104   5.3568   34.745   7.9106  1066.25  165.836  1279.72  204.283 -213.4706 263.1223 
1 1 1  -23   14   47 o  1292.46  116.604   30.051   4.6682   24.396   5.6231   42.592   8.3736  1090.03  170.320  1387.06  198.452 -297.0355 261.5185 
1 1 1  -23   14   49 o  1040.38  133.971   21.042   4.2630   18.038   5.1341   27.709   7.6495  876.660  192.320  974.250  249.625 -97.59021 315.1185 
1 1 1  -23   14   51 o  1425.59  112.452   38.438   4.9790   32.398   5.9153   53.117   9.2215  1210.30  160.012  1392.35  218.723 -182.0558 271.0047 
1 1 1  -23   14   53 o  950.310  149.290   20.457   4.2959   17.832   5.1209   26.691   7.8926  760.786  208.687  725.135  265.763 35.65131 337.9053 
1 1 1  -23   15    2 o  917.573   98.040   13.449   2.7732   14.606   3.8827   12.244   3.9624  948.857  134.442  862.907  152.213 85.94922 203.0853 
1 1 1  -23   15    4 o  1037.39   90.863   17.108   2.9218   15.647   4.1052   18.609   4.1593  981.926  137.271  1075.12  125.937 -93.19061 186.2886 
1 1 1  -23   15    6 o  429.055  139.843   2.8403   2.1571   2.9934   2.9051   2.6522   3.2202  459.340  162.129  456.601  169.334 2.739746 234.4352 
1 1 1  -23   15    8 o  925.244  115.457   13.779   3.2722   14.665   3.9537   11.852   5.8299  949.978  136.863  835.444  219.868 114.5342 258.9858 
1 1 1  -23   15   10 o  1649.84   95.517   43.142   4.9134   40.503   8.3685   44.530   6.0696  1576.79  172.300  1671.29  116.716 -94.50439 208.1099 
1 1 1  -23   15   12 o  922.688   98.178   13.607   2.7930   13.159   3.9806   14.042   3.9197  896.023  146.975  928.305  139.136 -32.28168 202.3873 
1 1 1  -23   15   14 o  1264.93   98.797   25.457   3.8821   24.249   4.7000   28.050   6.8869  1228.72  123.848  1308.05  172.341 -79.32544 212.2256 
1 1 1  -23   15   16 o  1427.94   97.652   32.402   4.3400   34.630   5.3276   28.005   7.4832  1471.95  116.543  1300.26  189.359 171.6879 222.3487 
1 1 1  -23   15   18 o  1018.18  106.654   16.614   3.3498   15.040   4.1210   19.680   5.7513  959.648  141.381  1090.16  174.359 -130.5073 224.4764 
1 1 1  -23   15   20 o  632.930  137.706   6.6539   2.6515   6.6625   3.2281   6.6362   4.6488  630.524  162.486  638.974  205.039 -8.449463 261.6157 
1 1 1  -23   15   22 o  416.471  151.909   2.3197   2.5743   0.6001   3.0684   6.4071   4.7306  376.253  156.833  630.708  207.168 -254.4557 259.8369 
1 1 1  -23   15   24 o  2157.79   95.791   73.832   6.4722   75.748   7.9847   70.161   11.051  2175.64  117.645  2068.20  172.215 107.4338 208.5630 
1 1 1  -23   15   26 o  3460.97  144.918  193.460   15.705  190.248   22.322  196.608   22.100  3367.76  212.768  3430.10  206.734 -62.33765 296.6634 
1 1 1  -23   15   28 o  2472.95  101.425   97.343   7.8538  100.143   9.7431   92.147   13.271  2497.87  124.569  2358.29  181.099 139.5854 219.8051 
1 1 1  -23   15   30 o  2280.99  100.281   82.892   7.1624   85.215   8.7267   78.096   12.537  2300.47  121.580  2161.61  187.069 138.8604 223.1066 
1 1 1  -23   15   32 o  1356.94  100.645   29.540   4.2459   24.721   5.1111   40.270   7.6267  1228.62  135.087  1559.81  158.349 -331.1896 208.1412 
1 1 1  -23   15   34 o  1511.85  103.521   36.790   4.8712   34.159   5.9563   42.105   8.4647  1443.64  133.269  1580.38  173.933 -136.7418 219.1194 
1 1 1  -23   15   36 o  485.969  186.566   3.1113   3.9860   6.9201   5.7283  -0.4643   5.5502  641.027  227.510  453.089  199.950 187.9384 302.8871 
1 1 1  -23   15   38 o  2118.64  127.127   74.443   8.3946   75.581   11.770   73.265   11.976  2074.20  183.106  2033.32  190.310 40.87939 264.0944 
1 1 1  -23   15   40 o  2570.15  135.231  112.350   10.845  108.458   15.476  116.104   15.201  2399.97  208.001  2508.61  195.051 -108.6404 285.1474 
1 1 1  -23   15   42 o  2009.88  105.599   67.602   6.6225   59.728   8.1011   83.464   11.498  1842.62  141.488  2120.21  174.753 -277.5885 224.8499 
1 1 1  -23   15   44 o  540.192  180.843   5.8316   3.5996   5.5042   4.3689   6.5235   6.3517  526.356  196.834  560.152  228.757 -33.79614 301.7837 
1 1 1  -23   15   46 o  475.502  171.344   4.5187   3.2608   5.2249   3.7829   2.4766   6.4327  500.868  183.927  460.725  208.367 40.14334 277.9318 
1 1 1  -23   15   48 o  644.040  174.927   9.1054   3.6190   10.407   4.2188   5.4788   7.0414  668.192  191.670  488.445  219.717 179.7473 291.5699 
1 1 1  -23   15   50 o  560.404  187.251   7.9649   3.8591   3.3830   4.6086   18.716   7.0596  414.603  182.623  731.165  253.084 -316.5628 312.0938 
1 1 1  -23   15   52 o  2475.40  120.346  120.301   9.3281  111.863   11.328  138.076   16.441  2195.97  165.968  1977.48  272.786 218.4974 319.3076 
1 1 1  -23   16    1 o  442.809  152.169   2.8748   2.5499   0.6118   4.0093   4.4120   3.3043  426.087  178.572  531.641  173.072 -105.5539 248.6806 
1 1 1  -23   16    3 o  734.946  137.529   8.8654   3.0486   8.1078   3.5726   10.895   5.8473  697.551  165.972  803.992  223.955 -106.4415 278.7517 
1 1 1  -23   16    5 o  988.014  113.551   15.654   3.4491   15.102   4.1063   16.978   6.3556  964.237  140.105  1004.94  208.797 -40.70282 251.4472 
1 1 1  -23   16    7 o  550.665  156.490   4.9778   2.8255   3.1338   3.3465   9.5553   5.2727  480.115  173.494  755.170  213.486 -275.0556 275.0939 
1 1 1  -23   16    9 o  1020.41  111.855   16.678   3.5154   15.337   4.2176   19.731   6.3623  970.924  143.013  1089.39  193.606 -118.4706 240.6992 
1 1 1  -23   16   11 o  238.543  114.237  -3.3823   2.4338  -4.5908   2.7973   0.3819   4.9368  244.376  118.379  462.096  196.138 -217.7203 229.0938 
1 1 1  -23   16   13 o  1190.75  104.110   22.597   3.8428   21.392   4.6344   25.248   6.8745  1152.40  130.748  1238.07  182.831 -85.67493 224.7708 
1 1 1  -23   16   15 o  960.042  116.515   14.832   3.4308   14.644   4.1596   15.234   6.0677  946.979  144.885  948.473  209.863 -1.493530 255.0183 
1 1 1  -23   16   17 o  1588.11   97.366   40.027   4.8184   40.360   5.8591   39.331   8.4693  1589.60  118.566  1550.27  177.679 39.33496 213.6064 
1 1 1  -23   16   19 f  1010.62  113.009   16.410   3.5150   18.542   4.3667   12.489   5.9239  1069.98  133.220  854.489  220.066 215.4954 257.2480 
1 1 1  -23   16   21 o  1252.50  105.778   25.055   4.1097   21.990   5.0153   31.319   7.1700  1163.84  140.462  1381.96  169.230 -218.1208 219.9283 
1 1 1  -23   16   23 o  2830.93  106.547  127.263   9.4447  133.514   11.603  114.990   16.258  2890.53  128.200  2639.38  198.170 251.1567 236.0221 
1 1 1  -23   16   25 o  1164.78  138.453   22.067   4.9508   18.725   6.9276   25.556   7.0777  1043.58  218.984  1236.28  188.822 -192.6986 289.1507 
1 1 1  -23   16   27 o  2189.57  100.056   76.140   6.8599   81.617   8.3641   64.885   11.990  2257.51  118.742  1973.53  196.646 283.9818 229.7156 
1 1 1  -23   16   29 o  3816.98  125.187  233.652   14.962  231.986   18.340  236.969   25.871  3779.50  154.974  3745.17  221.599 34.33203 270.4126 
1 1 1  -23   16   31 o  538.875  162.909   4.8163   2.9821   6.9458   3.5987   0.1493   5.3275  638.651  174.842  465.720  200.825 172.9307 266.2718 
1 1 1  -23   16   33 o  2277.84  124.985   84.043   8.8804   87.171   12.584   80.941   12.534  2281.95  177.515  2193.06  184.226 88.89258 255.8335 
1 1 1  -23   16   35 o  323.793  151.009  -3.0645   3.7570  -4.5984   5.3501  -1.5721   5.2770  378.122  177.588  423.072  190.269 -44.94992 260.2691 
1 1 1  -23   16   37 o  948.176  164.339   15.639   4.7024   15.226   6.4061   16.121   6.9244  896.841  227.706  915.749  238.956 -18.90717 330.0762 
1 1 1  -23   16   39 o  684.644  163.203   8.4419   3.4493   7.8751   4.0529   9.9310   6.5694  650.721  188.213  706.084  244.154 -55.36334 308.2774 
1 1 1  -23   16   41 o  1248.23  222.695   31.184   8.3848   31.184   8.3848   0.0000   0.0000  1248.23  222.695  ?   ?  0.000000 222.6954 
1 1 1  -23   16   43 o  1667.21  109.557   47.151   5.6875   46.140   6.9150   49.266   9.9994  1613.26  138.225  1556.32  210.600 56.94275 251.9099 
1 1 1  -23   16   45 o  1215.78  118.266   25.948   4.4453   26.079   5.2813   25.631   8.2329  1188.03  144.976  1015.14  258.356 172.8951 296.2534 
1 1 1  -23   16   47 o  438.737  172.457   3.6151   3.4686   2.6211   4.0202   6.5102   6.8612  417.555  177.101  524.860  227.113 -107.3047 288.0019 
1 1 1  -23   16   49 o  2008.27  110.555   72.712   6.9253   64.067   8.2776   92.881   12.643  1792.86  148.793  1973.12  207.759 -180.2643 255.5449 
1 1 1  -23   16   51 o  1315.00  125.485   33.633   5.1042   32.083   6.0454   37.481   9.5255  1206.91  164.233  986.999  289.431 219.9155 332.7803 
1 1 1  -23   17    2 o  1119.21  138.952   20.217   4.7648   18.653   6.0647   22.740   7.7020  1061.06  189.491  1164.95  219.186 -103.8958 289.7405 
1 1 1  -23   17    4 o  1048.49  144.750   17.824   4.6255   23.062   5.9008   9.4755   7.4496  1190.36  162.563  773.837  260.155 416.5244 306.7693 
1 1 1  -23   17    6 o  842.140  200.688   11.918   5.2169   11.918   5.2169   0.0000   0.0000  842.140  200.688  ?   ?  0.000000 200.6882 
1 1 1  -23   17    8 o  824.721  171.458   11.297   4.2833   16.105   5.5131   3.9765   6.8034  984.982  185.559  615.208  241.620 369.7737 304.6516 
1 1 1  -23   17   10 o  1068.54  112.402   18.264   3.7044   20.607   4.3895   12.466   6.9054  1132.83  125.875  858.292  244.901 274.5331 275.3562 
1 1 1  -23   17   12 o  1017.13  118.175   16.611   3.6936   11.978   4.3250   29.094   7.0993  849.960  168.462  1334.98  173.967 -485.0176 242.1646 
1 1 1  -23   17   14 o  1682.06   99.035   44.849   5.1931   46.288   6.2681   41.699   9.2735  1704.55  118.167  1595.75  189.283 108.8002 223.1401 
1 1 1  -23   17   16 o  446.689  157.727   2.8222   2.7498   6.0494   3.2193  -5.8859   5.2881  603.978  165.375  367.220  173.715 236.7581 239.8450 
1 1 1  -23   17   18 o  718.196  145.539   8.5304   3.1609   8.3883   3.7461   8.8817   5.8896  707.920  170.930  733.934  230.242 -26.01392 286.7554 
1 1 1  -23   17   20 o  466.023  164.880   3.0868   3.0063   5.1270   3.5832  -1.7636   5.5249  565.953  179.843  442.562  197.169 123.3910 266.8691 
1 1 1  -23   17   22 o  3184.87  113.310  161.093   11.300  156.411   13.837  170.467   19.580  3125.94  141.364  3226.75  194.698 -100.8142 240.6062 
1 1 1  -23   17   24 o  1072.93  144.888   18.779   4.7432   20.678   6.5489   16.683   6.8789  1109.99  195.567  984.430  227.694 125.5640 300.1515 
1 1 1  -23   17   26 o  3065.82  110.521  149.445   10.610  144.530   12.994  159.276   18.377  3002.04  138.234  3114.30  189.353 -112.2607 234.4423 
1 1 1  -23   17   28 o  473.297  164.983   3.3100   3.0026   1.4993   3.5436   7.9195   5.6539  427.018  172.146  692.834  226.433 -265.8163 284.4400 
1 1 1  -23   17   30 o  2927.59  134.509  138.083   12.330  141.590   17.499  134.624   17.378  2916.37  192.708  2840.02  196.623 76.34741 275.3122 
1 1 1  -23   17   32 o  3093.02  139.686  155.368   13.529  154.445   19.062  156.304   19.203  3019.09  202.816  3036.94  203.113 -17.84546 287.0356 
1 1 1  -23   17   34 o  1481.79  107.073   35.493   4.9346   31.328   5.9965   44.229   8.6850  1375.75  141.204  1615.29  174.484 -239.5437 224.4618 
1 1 1  -23   17   36 o  1191.61  119.009   23.397   4.3811   21.039   5.2998   28.487   7.7858  1109.51  156.927  1260.21  204.302 -150.6976 257.6145 
1 1 1  -23   17   38 o  641.883  171.225   7.4424   3.5049   11.821   4.2639  -1.6800   6.1547  810.667  173.232  442.268  201.507 368.3982 265.7331 
1 1 1  -23   17   40 o  927.991  138.554   14.963   3.9027   14.519   4.6142   16.079   7.3157  891.505  171.519  865.709  253.584 25.79510 306.1430 
1 1 1  -23   17   42 o  920.253  189.077   16.375   5.2661   11.381   7.2661   21.899   7.6429  705.555  255.541  1002.59  245.435 -297.0301 354.3153 
1 1 1  -23   17   44 o  963.887  141.456   16.834   4.1424   19.820   4.8832   9.1729   7.8224  1032.67  155.871  622.600  254.016 410.0667 298.0269 
1 1 1  -23   17   46 o  661.217  184.958   9.2443   3.9795   9.2321   4.7156   9.2746   7.4177  637.108  206.722  597.570  245.986 39.53833 321.3146 
1 1 1  -23   17   48 o  657.850  188.005   9.7409   4.0663   9.1809   4.7997   11.165   7.6538  608.592  208.792  598.303  248.401 10.28876 324.4950 
1 1 1  -23   17   50 o  2744.75  121.885  140.966   10.475  129.262   12.718  165.660   18.473  2462.05  165.937  2439.05  245.202 22.99634 296.0726 
1 1 1  -23   18    1 o  396.223  159.256   1.2042   3.0230  -0.5505   3.3929   7.9608   6.6578  364.192  158.643  720.019  245.921 -355.8271 292.6514 
1 1 1  -23   18    3 o  882.072  176.654   12.891   4.7090   14.378   6.1803   10.831   7.2711  924.049  217.255  812.683  255.967 111.3660 335.7367 
1 1 1  -23   18    5 o  1139.82  140.995   20.950   4.9249   23.006   6.1132   17.150   8.3128  1188.09  169.096  1002.08  261.982 186.0037 311.8139 
1 1 1  -23   18    7 o  486.760  180.186   3.0166   3.6428  -1.1843   4.4789   11.226   6.2613  407.118  179.643  818.445  233.084 -411.3265 294.2786 
1 1 1  -23   18    9 f  645.273  188.858   6.8356   4.0592   12.523   5.1803  -2.2113   6.5337  864.953  195.824  480.360  214.182 384.5933 290.2086 
1 1 1  -23   18   11 o  1196.50  142.483   23.087   5.2332   25.651   6.7954   19.350   8.2036  1252.41  178.318  1065.04  250.236 187.3701 307.2705 
1 1 1  -23   18   13 o  1304.77  132.524   27.309   5.3392   33.147   7.0394   19.402   8.1926  1431.58  159.762  1065.86  249.825 365.7174 296.5407 
1 1 1  -23   18   15 o  794.253  168.771   10.483   4.0679   14.509   5.1433   3.7584   6.6475  934.393  182.337  605.196  238.470 329.1968 300.1912 
1 1 1  -23   18   17 o  403.978  174.215  -0.2528   4.0098  -0.2528   4.0098   0.0000   0.0000  403.978  174.215  ?   ?  0.000000 174.2148 
1 1 1  -23   18   19 o  1190.43  194.360   23.501   6.9948   23.501   6.9948   0.0000   0.0000  1190.43  194.360  ?   ?  0.000000 194.3602 
1 1 1  -23   18   21 o  678.080  161.078   7.6695   3.3694   8.8654   3.9385   4.4057   6.5067  727.474  175.029  615.008  237.757 112.4669 295.2351 
1 1 1  -23   18   23 o  1428.38  134.002   32.818   5.9233   40.975   8.1514   23.691   8.6221  1586.72  166.548  1175.45  242.309 411.2677 294.0270 
1 1 1  -23   18   25 o  1956.57  102.416   60.822   6.2527   60.715   7.6009   61.046   10.997  1947.83  125.287  1929.32  184.274 18.50818 222.8316 
1 1 1  -23   18   27 o  1563.55  133.475   39.426   6.4721   44.697   9.1979   34.257   9.1088  1646.03  181.473  1426.14  210.288 219.8975 277.7646 
1 1 1  -23   18   29 o  1834.90  127.634   54.255   7.2876   57.777   10.214   50.604   10.401  1870.18  176.511  1739.81  194.232 130.3757 262.4542 
1 1 1  -23   18   31 o  2170.12  102.004   75.157   6.9314   72.463   8.4190   80.825   12.212  2116.07  127.658  2201.80  178.667 -85.72998 219.5874 
1 1 1  -23   18   33 o  1550.57  105.639   38.781   5.0984   33.263   6.1397   51.040   9.1507  1419.73  139.930  1741.45  169.980 -321.7245 220.1673 
1 1 1  -23   18   35 o  913.619  139.355   14.062   3.8604   13.956   4.5884   14.318   7.1421  895.628  169.828  864.808  249.770 30.81964 302.0371 
1 1 1  -23   18   37 o  659.627  173.958   7.8200   3.6445   11.350   4.3128  -0.9962   6.8161  794.687  177.768  477.882  215.456 316.8049 279.3253 
1 1 1  -23   18   39 o  1998.03  106.951   65.779   6.6670   67.599   8.0795   61.895   11.802  2002.57  129.543  1813.38  211.849 189.1963 248.3173 
1 1 1  -23   18   41 o  1020.22  137.862   18.143   4.2913   18.354   4.9613   17.513   8.5509  1007.00  162.906  864.638  278.146 142.3658 322.3407 
1 1 1  -23   18   43 o  1545.82  148.749   42.882   7.1111   45.981   9.8425   39.499   10.285  1504.62  215.028  1333.44  255.637 171.1743 334.0474 
1 1 1  -23   18   45 o  386.143  172.440   0.3417   4.2528   0.3417   4.2528   0.0000   0.0000  386.143  172.440  ?   ?  0.000000 172.4398 
1 1 1  -23   18   47 o  274.863  133.344  -4.2623   3.5823  -3.2850   4.1106  -7.3480   7.3044  311.134  148.859  369.742  181.703 -58.60822 234.8936 
1 1 1  -23   18   49 o  1867.70  116.206   63.134   6.7623   52.329   7.9807   90.640   12.734  1605.43  160.923  1965.58  210.154 -360.1489 264.6901 
1 1 1  -23   19    2 o  375.253  154.622   0.7091   2.9344   4.0020   3.1341 -22.6907   8.3546  511.456  168.654  356.153  178.208 155.3025 245.3622 
1 1 1  -23   19    4 o  430.774  185.062  -0.1783   4.4913   3.0260   5.5169  -6.4752   7.7338  553.310  217.494  468.692  217.941 84.61810 307.8992 
1 1 1  -23   19    6 o  575.094  176.335   5.3076   3.4770   3.3614   3.8922   12.998   7.7366  508.265  186.576  881.851  261.457 -373.5865 321.2014 
1 1 1  -23   19    8 o  549.916  174.768   4.7649   3.3837   4.1738   3.7862   7.1103   7.5417  535.008  185.335  714.686  260.112 -179.6777 319.3858 
1 1 1  -23   19   10 o  960.227  136.440   14.910   3.9870   15.229   4.4957   13.733   8.6285  966.721  153.660  906.911  277.736 59.81073 317.4090 
1 1 1  -23   19   12 o  647.497  168.253   6.9490   3.4424   6.5729   3.9145   8.2325   7.2305  633.670  185.460  737.992  256.089 -104.3216 316.1917 
1 1 1  -23   19   14 o  550.972  193.094   4.3818   4.1156   5.0062   5.0763   3.1843   7.0305  597.081  213.931  605.112  242.991 -8.031006 323.7454 
1 1 1  -23   19   16 o  749.646  217.888   9.3366   5.4198   9.3366   5.4198   0.0000   0.0000  749.646  217.888  ?   ?  0.000000 217.8876 
1 1 1  -23   19   18 o  371.215  164.897  -1.2748   3.8356  -1.2748   3.8356   0.0000   0.0000  371.215  164.897  ?   ?  0.000000 164.8970 
1 1 1  -23   19   20 o  1783.71  128.345   50.798   7.1205   45.399   9.4490   57.892   10.832  1668.54  183.911  1885.62  185.870 -217.0826 261.4783 
1 1 1  -23   19   22 o  2939.42  137.069  137.759   12.616  137.453   17.527  138.087   18.173  2904.36  193.842  2906.90  200.891 -2.534180 279.1629 
1 1 1  -23   19   24 o  1193.20  241.523   24.423   8.7142   0.0000   0.0000   24.423   8.7142  ?   ?   1193.20  241.523 0.000000 241.5230 
1 1 1  -23   19   26 o  1141.73  232.331   22.440   8.0233   0.0000   0.0000   22.440   8.0233  ?   ?   1141.73  232.331 0.000000 232.3312 
1 1 1  -23   19   28 o  369.630  161.761  -0.5719   3.5643  -1.9144   4.3122   2.3230   6.3323  379.324  171.164  552.175  227.286 -172.8518 284.5279 
1 1 1  -23   19   30 f  814.745  186.318   11.441   4.6499   11.404   6.1497   11.492   7.1054  802.925  231.729  805.478  252.927 -2.552734 343.0316 
1 1 1  -23   19   32 o  1442.67  110.579   33.655   4.9572   34.454   5.9250   31.790   9.0506  1450.22  131.921  1339.76  223.625 110.4607 259.6366 
1 1 1  -23   19   34 o  1236.60  119.567   25.075   4.5720   28.809   5.4519   16.228   8.3930  1318.88  133.870  912.507  272.729 406.3730 303.8129 
1 1 1  -23   19   36 o  1842.67  105.090   55.245   6.0384   49.563   7.2524   68.086   10.903  1723.71  135.460  1979.67  177.776 -255.9607 223.5037 
1 1 1  -23   19   38 o  1201.24  126.108   24.206   4.6726   23.298   5.4213   26.831   9.2147  1160.73  152.881  1149.56  261.846 11.16846 303.2096 
1 1 1  -23   19   40 o  1410.45  117.029   33.319   5.1219   29.661   6.1108   41.959   9.3907  1301.19  152.898  1488.90  207.028 -187.7159 257.3682 
1 1 1  -23   19   42 o  1670.11  109.989   46.769   5.7197   43.514   6.7916   54.707   10.607  1580.54  138.631  1677.05  206.352 -96.50867 248.5956 
1 1 1  -23   19   44 o  504.790  206.682   4.1674   5.2017   5.8121   6.9605   2.0869   7.8285  561.528  235.310  509.073  230.083 52.45499 329.1032 
1 1 1  -23   19   46 o  570.915  189.992   6.8364   3.9739   5.8095   4.5306   10.261   8.2743  530.858  200.065  625.081  258.793 -94.22363 327.1085 
1 1 1  -23   20    1 o  860.701  165.924   12.191   4.3097   13.343   4.6212   4.4983   11.940  900.499  170.125  765.048  313.174 135.4509 356.3994 
1 1 1  -23   20    3 o  793.589  187.681   10.479   4.5905   10.479   4.5905   0.0000   0.0000  793.589  187.681  ?   ?  0.000000 187.6806 
1 1 1  -23   20    5 o  917.084  214.574   14.081   6.0523   13.796   7.2182   14.754   11.107  905.894  247.461  955.286  317.614 -49.39197 402.6360 
1 1 1  -23   20    7 o  666.122  203.824   7.1719   4.6482   9.3048   5.2053  -1.2235   10.327  749.698  212.180  632.041  276.004 117.6575 348.1364 
1 1 1  -23   20    9 o  563.283  175.103   5.0512   3.4152   4.8886   3.6409   6.2417   9.8526  560.474  181.624  747.701  291.589 -187.2266 343.5274 
1 1 1  -23   20   11 o  887.943  156.362   12.902   4.1886   13.393   4.5688   10.312   10.489  902.529  167.845  845.529  306.901 57.00000 349.8001 
1 1 1  -23   20   13 o  912.246  146.750   13.545   4.0497   13.500   4.4192   13.779   10.117  907.376  161.456  920.275  303.005 -12.89893 343.3364 
1 1 1  -23   20   15 o  642.795  195.279   6.7055   4.2772   6.7055   4.2772   0.0000   0.0000  642.795  195.279  ?   ?  0.000000 195.2786 
1 1 1  -23   20   17 o  1092.40  151.245   19.360   5.0346   19.360   5.0346   0.0000   0.0000  1092.40  151.245  ?   ?  0.000000 151.2451 
1 1 1  -23   20   19 o  2249.81  132.539   80.704   9.2958   80.377   12.848   81.064   13.466  2225.98  186.031  2231.89  194.640 -5.905518 269.2445 
1 1 1  -23   20   21 f  818.991  209.214   11.343   5.3846   12.136   6.8432   10.053   8.7252  845.915  244.538  803.561  281.177 42.35321 372.6381 
1 1 1  -23   20   25 o  447.084  184.247   1.2165   4.1673   0.5470   5.1180   2.5336   7.1784  470.566  199.718  586.863  241.830 -116.2967 313.6387 
1 1 1  -23   20   27 o  1321.36  139.969   28.419   5.7030   21.434   7.1514   40.621   9.4521  1117.78  212.083  1555.30  198.623 -437.5211 290.5683 
1 1 1  -23   20   29 o  874.472  187.739   13.144   4.9870   11.904   6.4429   14.997   7.8764  819.512  237.385  909.701  262.168 -90.18921 353.6714 
1 1 1  -23   20   31 o  592.437  206.550   5.6221   4.7063   6.0629   5.8421   4.8071   7.9434  625.911  228.762  637.838  257.526 -11.92694 344.4585 
1 1 1  -23   20   33 o  1295.89  152.317   28.140   6.0628   33.537   8.1023   21.274   9.1391  1391.52  190.990  1050.18  274.759 341.3386 334.6183 
1 1 1  -23   20   35 o  475.400  195.522   2.0742   4.6812   4.1978   5.7576  -2.0676   8.0409  560.568  221.600  507.548  230.891 53.02029 320.0264 
1 1 1  -23   20   37 o  662.920  214.579   8.0949   5.0831   8.8648   6.3359   6.7044   8.5150  689.264  239.694  656.193  266.036 33.07092 358.0904 
1 1 1  -23   20   39 o  1301.01  160.728   29.617   6.4085   33.664   8.2624   23.507   10.153  1349.75  201.682  1023.67  298.417 326.0739 360.1778 
1 1 1  -23   20   41 o  317.240  152.068  -4.8040   4.3352   1.9074   5.2326 -19.4953   7.7417  470.339  200.840  329.281  165.672 141.0580 260.3534 
1 1 1  -23   20   43 o  713.244  215.043   10.521   5.2013   4.2155   6.6040   20.824   8.4411  537.510  227.426  942.941  271.303 -405.4311 354.0173 
1 1 1  -23   20   45 o  2403.57  147.542  104.441   11.051  102.587   15.441  106.388   15.822  2190.38  228.495  2225.89  230.338 -35.51660 324.4465 
1 1 1  -23   21    2 o  404.792  174.778  -0.3537   4.0457  -0.3537   4.0457   0.0000   0.0000  404.792  174.778  ?   ?  0.000000 174.7784 
1 1 1  -23   21    4 o  499.772  191.424   2.7866   4.1903   2.7866   4.1903   0.0000   0.0000  499.772  191.424  ?   ?  0.000000 191.4239 
1 1 1  -23   21    6 o  603.979  252.474   1.5646   7.9841   1.5646   7.9841   0.0000   0.0000  603.979  252.474  ?   ?  0.000000 252.4744 
1 1 1  -23   21    8 o  561.463  195.107   4.5808   4.1976   4.5808   4.1976   0.0000   0.0000  561.463  195.107  ?   ?  0.000000 195.1075 
1 1 1  -23   21   10 o  508.845  187.794   3.3160   3.9511   4.0924   4.1801  -3.1912   12.102  543.319  194.188  657.828  292.523 -114.5088 351.1107 
1 1 1  -23   21   12 o  478.137  175.457   2.9595   3.4417   1.9745   3.6192   12.266   11.125  450.283  176.415  897.111  317.201 -446.8282 362.9584 
1 1 1  -23   21   14 o  609.763  192.778   5.9182   4.1212   5.9182   4.1212   0.0000   0.0000  609.763  192.778  ?   ?  0.000000 192.7778 
1 1 1  -23   21   16 o  1350.12  166.479   29.572   6.8889   35.936   8.7371   19.113   11.200  1482.10  192.834  1053.28  315.108 428.8145 369.4297 
1 1 1  -23   21   18 o  772.861  220.045   10.009   5.5811   3.8664   6.9578   21.092   9.3464  616.785  243.674  1104.93  271.975 -488.1431 365.1673 
1 1 1  -23   21   20 o  1190.40  184.406   23.398   6.6513   19.156   8.8404   28.931   10.097  1050.50  267.917  1298.88  257.361 -248.3790 371.5029 
1 1 1  -23   21   22 o  991.688  138.304   16.005   4.1778   13.440   4.6495   26.753   9.5188  898.262  171.562  1244.89  252.822 -346.6287 305.5361 
1 1 1  -23   21   24 o  754.012  170.852   9.5739   3.9405   10.645   4.3705   4.9184   9.1100  793.638  180.008  686.648  276.296 106.9892 329.7610 
1 1 1  -23   21   26 o  1100.72  164.958   20.109   5.5104   20.109   5.5104   0.0000   0.0000  1100.72  164.958  ?   ?  0.000000 164.9585 
1 1 1  -23   21   28 o  1042.49  167.822   18.216   5.2923   18.216   5.2923   0.0000   0.0000  1042.49  167.822  ?   ?  0.000000 167.8215 
1 1 1  -23   21   30 o  889.355  168.380   13.447   4.5173   14.394   5.1855   10.466   9.1999  913.075  187.643  786.511  287.130 126.5646 343.0070 
1 1 1  -23   21   32 f  1347.07  122.664   29.612   5.1173   25.541   5.8925   42.102   10.321  1235.00  155.846  1545.99  219.363 -310.9979 269.0877 
1 1 1  -23   21   34 o  1104.73  180.058   21.156   6.0140   21.856   7.5634   19.951   9.9172  1092.83  228.384  996.615  296.141 96.21515 373.9768 
1 1 1  -23   21   36 o  1130.88  173.913   22.266   5.9611   13.184   7.4692   38.200   9.8935  821.861  259.494  1441.16  226.729 -619.3022 344.5912 
1 1 1  -23   21   38 o  774.689  218.093   11.415   5.5146   6.0830   6.7876   21.768   9.4587  615.941  241.518  1015.05  285.581 -399.1063 374.0157 
1 1 1  -23   21   40 o  457.402  196.027   1.3619   5.0175   0.6532   5.9787   3.0500   9.2269  472.687  208.115  587.156  258.526 -114.4692 331.8844 
1 1 1  -23   21   42 o  535.527  212.080   4.6149   5.2823   4.6645   6.3344   4.5018   9.5710  553.354  227.495  597.201  263.108 -43.84723 347.8217 
1 1 1  -23   21   44 o  265.140  132.976 -11.7812   4.7807 -13.5977   5.5928  -6.8535   9.2118  285.074  143.090  446.682  215.988 -161.6078 259.0858 
1 1 1  -23   22    1 o  488.305  187.307   2.6607   4.0157   3.3842   4.2951  -2.3626   11.318  521.909  195.166  643.337  284.633 -121.4274 345.1170 
1 1 1  -23   22    3 o  415.324  173.208   0.6445   3.7453   3.3540   3.9698 -21.3017   11.298  510.283  188.255  464.728  227.894 45.55444 295.5938 
1 1 1  -23   22    5 o  514.589  189.068   3.4462   3.9981   1.5346   4.2670   17.194   11.443  464.554  188.331  1011.76  321.380 -547.2102 372.4967 
1 1 1  -23   22    7 o  626.152  252.472   3.2749   7.6237   3.2749   7.6237   0.0000   0.0000  626.152  252.472  ?   ?  0.000000 252.4722 
1 1 1  -23   22    9 o  1149.12  158.357   21.421   5.5466   21.421   5.5466   0.0000   0.0000  1149.12  158.357  ?   ?  0.000000 158.3565 
1 1 1  -23   22   11 o  337.401  156.505  -3.3201   3.9502  -3.3201   3.9502   0.0000   0.0000  337.401  156.505  ?   ?  0.000000 156.5050 
1 1 1  -23   22   13 o  570.014  235.939   1.8272   6.8752   1.8272   6.8752   0.0000   0.0000  570.014  235.939  ?   ?  0.000000 235.9393 
1 1 1  -23   22   15 o  338.413  165.958 -11.6147   5.9933 -11.6147   5.9933   0.0000   0.0000  338.413  165.958  ?   ?  0.000000 165.9576 
1 1 1  -23   22   17 o  844.468  170.302   11.846   4.3478   16.240   4.8618  -5.7001   9.7148  994.801  161.628  547.141  250.754 447.6599 298.3306 
1 1 1  -23   22   19 o  557.875  190.458   4.7120   3.9933   6.0831   4.4338  -1.1778   9.1895  617.904  200.447  589.185  258.742 28.71826 327.3018 
1 1 1  -23   22   21 o  521.573  190.857   3.6891   4.0682   2.6294   4.4838   8.6243   9.6759  501.272  196.369  779.393  292.638 -278.1206 352.4170 
1 1 1  -23   22   23 o  1400.72  128.078   31.599   5.5553   34.460   6.4143   23.011   11.113  1458.64  142.249  1126.69  306.745 331.9475 338.1230 
1 1 1  -23   22   25 o  921.536  168.452   14.216   4.6816   13.843   5.3182   15.502   9.8682  900.772  194.266  933.027  298.664 -32.25494 356.2856 
1 1 1  -23   22   27 o  445.516  179.512   1.7187   3.8512   3.1952   4.2499  -5.0618   9.1075  506.150  193.039  522.721  240.749 -16.57062 308.5845 
1 1 1  -23   22   29 o  658.160  234.871   6.8466   6.1129   8.4019   7.9582   4.6083   9.5469  727.138  266.810  675.619  278.702 51.51910 385.8264 
1 1 1  -23   22   31 o  406.842  188.547  -3.9080   5.7145  -0.2132   7.4474  -9.1984   8.9114  530.110  232.861  464.505  221.389 65.60541 321.3053 
1 1 1  -23   22   33 o  852.409  227.473   13.244   6.1844   12.331   7.8797   14.710   9.9798  815.161  267.357  875.702  301.034 -60.54065 402.6179 
1 1 1  -23   22   35 o  834.707  233.127   12.988   6.3273   14.743   8.0439   10.139   10.247  872.144  268.341  763.831  297.511 108.3132 400.6488 
1 1 1  -23   22   37 o  1169.27  196.642   24.463   6.9441   27.617   8.9110   19.587   11.081  1204.65  244.588  950.768  317.294 253.8860 400.6227 
1 1 1  -23   22   39 o  897.027  239.520   15.849   6.8542   17.586   8.9406   13.372   10.675  908.656  283.454  795.990  305.378 112.6661 416.6557 
1 1 1  -23   22   41 o  1000.67  233.544   19.971   7.1843   12.298   9.0996   32.670   11.706  753.537  283.621  1189.19  310.881 -435.6513 420.8181 
1 1 1  -23   23    2 o  1041.06  156.754   17.663   4.9514   20.731   5.5158   4.9304   11.236  1128.53  160.625  750.729  305.157 377.7988 344.8499 
1 1 1  -23   23    4 f  435.070  182.655   0.5685   4.2066   0.5685   4.2066   0.0000   0.0000  435.070  182.655  ?   ?  0.000000 182.6546 
1 1 1  -23   23    6 o  893.071  173.454   13.190   4.6757   14.038   5.1146   8.8742   11.536  919.526  184.057  830.258  317.714 89.26813 367.1771 
1 1 1  -23   23    8 o  452.803  206.972  -4.0212   6.5595  -6.1112   8.3703  -0.6948   10.560  496.570  229.446  643.339  280.063 -146.7693 362.0505 
1 1 1  -23   23   10 o  712.674  247.437   7.6773   6.7506  -3.4339   8.7950   23.609   10.531  546.970  245.846  1167.40  289.520 -620.4335 379.8186 
1 1 1  -23   23   12 o  984.802  280.167   16.643   9.0512   16.643   9.0512   0.0000   0.0000  984.802  280.167  ?   ?  0.000000 280.1670 
1 1 1  -23   23   14 o  448.875  187.167   0.8350   4.3722   0.8350   4.3722   0.0000   0.0000  448.875  187.167  ?   ?  0.000000 187.1665 
1 1 1  -23   23   16 o  1009.99  172.770   16.839   5.2675   16.839   5.2675   0.0000   0.0000  1009.99  172.770  ?   ?  0.000000 172.7699 
1 1 1  -23   23   18 o  1494.46  216.189   37.261   9.8226   37.261   9.8226   0.0000   0.0000  1494.46  216.189  ?   ?  0.000000 216.1886 
1 1 1  -23   23   22 o  408.212  194.336  -8.0289   6.8254  -8.0289   6.8254   0.0000   0.0000  408.212  194.336  ?   ?  0.000000 194.3358 
1 1 1  -23   23   24 o  587.056  245.162   2.1098   7.5179   2.1098   7.5179   0.0000   0.0000  587.056  245.162  ?   ?  0.000000 245.1618 
1 1 1  -23   23   26 o  495.573  215.833  -0.3266   6.2775   4.0791   8.0700  -7.0775   9.9894  639.130  259.036  530.040  246.876 109.0895 357.8371 
1 1 1  -23   23   28 o  376.853  180.774  -7.9705   6.1513  -8.7299   7.8956  -6.7979   9.8117  438.338  208.771  524.360  244.377 -86.02213 321.4121 
1 1 1  -23   23   30 o  1136.63  325.272   25.172   12.163   0.0000   0.0000   25.172   12.163  ?   ?   1136.63  325.272 0.000000 325.2716 
1 1 1  -23   23   32 o  569.900  241.459   2.0343   7.4603   2.0343   7.4603   0.0000   0.0000  569.900  241.459  ?   ?  0.000000 241.4593 
1 1 1  -23   23   34 o  1080.35  225.388   21.092   7.3778   20.663   9.7644   21.663   11.263  1026.94  290.591  1033.65  317.444 -6.703003 430.3649 
1 1 1  -23   23   36 o  722.872  278.115   8.8689   8.8699   8.8689   8.8699   0.0000   0.0000  722.872  278.115  ?   ?  0.000000 278.1154 
1 1 1  -23   23   38 o  746.135  244.029   10.618   6.5664   16.197   8.1651   0.4049   11.048  896.700  269.225  607.409  274.037 289.2909 384.1595 
1 1 1  -23   24    1 o  798.139  191.942   10.671   4.7382   12.874   5.1818  -0.5624   11.703  877.099  193.837  676.688  294.706 200.4106 352.7382 
1 1 1  -23   24    3 o  535.983  197.194   3.7709   4.3512   4.0365   4.6715   2.0302   11.958  554.338  204.265  721.308  305.658 -166.9704 367.6290 
1 1 1  -23   24    5 o  810.019  301.559   9.0831   10.232   9.0831   10.232   0.0000   0.0000  810.019  301.559  ?   ?  0.000000 301.5594 
1 1 1  -23   24    7 o  861.619  303.207   11.465   10.153   11.465   10.153   0.0000   0.0000  861.619  303.207  ?   ?  0.000000 303.2069 
1 1 1  -23   24    9 o  1090.79  239.278   20.189   7.9479   21.279   10.397   18.656   12.327  1107.15  294.709  1044.65  333.747 62.49329 445.2422 
1 1 1  -23   24   11 o  948.519  233.851   15.289   6.9014   8.0315   9.0528   25.361   10.664  763.741  283.784  1209.46  286.073 -445.7185 402.9532 
1 1 1  -23   24   13 o  344.434  169.831 -13.7957   6.5593  -9.2654   8.2488 -21.5863   10.817  454.784  215.670  445.618  219.405 9.166321 307.6557 
1 1 1  -23   24   15 o  1145.00  218.713   22.057   7.5555   20.637   9.8944   24.043   11.702  1087.84  286.504  1166.54  313.594 -78.70203 424.7650 
1 1 1  -23   24   17 o  469.089  221.004  -8.3535   8.4014  -8.3535   8.4014   0.0000   0.0000  469.089  221.004  ?   ?  0.000000 221.0043 
1 1 1  -23   24   19 o  614.905  277.511  -4.0629   11.341   0.0000   0.0000  -4.0629   11.341  ?   ?   614.905  277.511 0.000000 277.5109 
1 1 1  -23   24   21 o  1121.78  212.714   21.302   7.1983   26.880   8.8796   10.608   12.294  1254.51  234.675  860.236  328.265 394.2754 403.5227 
1 1 1  -23   24   23 o  958.376  270.939   16.182   8.4924   16.182   8.4924   0.0000   0.0000  958.376  270.939  ?   ?  0.000000 270.9394 
1 1 1  -23   24   25 o  484.767  225.861  -6.4354   8.3718  -6.4354   8.3718   0.0000   0.0000  484.767  225.861  ?   ?  0.000000 225.8612 
1 1 1  -23   24   27 o  1051.05  274.725   19.963   9.1425   19.963   9.1425   0.0000   0.0000  1051.05  274.725  ?   ?  0.000000 274.7254 
1 1 1  -23   24   29 f  540.262  243.940  -2.7732   8.7750  -2.7732   8.7750   0.0000   0.0000  540.262  243.940  ?   ?  0.000000 243.9404 
1 1 1  -23   24   31 o  644.686  260.475   4.7051   8.1325   4.7051   8.1325   0.0000   0.0000  644.686  260.475  ?   ?  0.000000 260.4750 
1 1 1  -23   24   33 o  577.024  247.100   1.6794   7.9615   1.6794   7.9615   0.0000   0.0000  577.024  247.100  ?   ?  0.000000 247.1000 
1 1 1  -23   24   35 o  683.355  250.168   7.7630   6.9907   12.938   8.3804  -4.0757   12.676  829.016  275.905  612.130  282.671 216.8864 395.0016 
1 1 1  -23   24   37 o  658.518  271.008   5.7085   9.0007   5.7085   9.0007   0.0000   0.0000  658.518  271.008  ?   ?  0.000000 271.0076 
1 1 1  -23   25    2 o  1295.57  324.917   29.511   13.158   29.511   13.158   0.0000   0.0000  1295.57  324.917  ?   ?  0.000000 324.9165 
1 1 1  -23   25    4 o  503.093  232.559  -6.3106   8.6126   4.0432   11.338 -20.4342   13.242  738.558  304.084  529.275  256.676 209.2826 397.9315 
1 1 1  -23   25    6 o  665.732  288.413  -0.2121   11.091  -0.2121   11.091   0.0000   0.0000  665.732  288.413  ?   ?  0.000000 288.4130 
1 1 1  -23   25    8 o  809.613  311.419   8.2514   11.120   8.2514   11.120   0.0000   0.0000  809.613  311.419  ?   ?  0.000000 311.4189 
1 1 1  -23   25   10 o  469.178  218.519  -6.6142   7.8251  -6.3414   10.196  -7.0051   12.205  557.494  256.012  612.793  280.924 -55.29932 380.0796 
1 1 1  -23   25   12 o  867.203  268.953   12.566   8.0624  -2.7509   10.612   33.479   12.400  614.887  273.650  1390.28  294.027 -775.3947 401.6671 
1 1 1  -23   25   14 o  959.026  250.047   15.737   7.5861   15.066   9.5768   16.867   12.429  942.345  293.269  1002.40  336.040 -60.05212 446.0155 
1 1 1  -23   25   16 o  817.537  261.842   11.037   7.5842   9.1822   9.8768   13.702   11.839  801.782  296.715  926.540  327.265 -124.7578 441.7491 
1 1 1  -23   25   18 o  900.486  332.584   12.244   12.397   0.0000   0.0000   12.244   12.397  ?   ?   900.486  332.584 0.000000 332.5842 
1 1 1  -23   25   20 o  651.695  273.029   2.3918   9.3671   2.3918   9.3671   0.0000   0.0000  651.695  273.029  ?   ?  0.000000 273.0290 
1 1 1  -23   25   22 o  687.648  241.385   7.2373   6.4328   8.6213   9.4514   6.0429   8.7804  775.088  289.576  705.746  275.255 69.34222 399.5237 
1 1 1  -23   25   24 o  407.905  188.992  -4.3511   5.7362   10.867   8.8519 -15.3676   7.5315  816.410  283.349  369.379  182.102 447.0306 336.8197 
1 1 1  -23   25   26 o  602.246  263.088  -0.2337   9.3906  -0.2337   9.3906   0.0000   0.0000  602.246  263.088  ?   ?  0.000000 263.0881 
1 1 1  -23   25   28 o  425.492  194.718  -3.3169   5.8287   2.6412   8.1708  -9.4902   8.3171  613.012  255.758  447.846  213.567 165.1662 333.2018 
1 1 1  -23   25   30 o  585.094  260.003  -1.2254   9.5449  -1.2254   9.5449   0.0000   0.0000  585.094  260.003  ?   ?  0.000000 260.0034 
1 1 1  -23   25   32 o  794.839  287.133   10.741   9.1652   10.741   9.1652   0.0000   0.0000  794.839  287.133  ?   ?  0.000000 287.1333 
1 1 1  -23   26    1 o  668.363  284.810   1.0562   10.483   16.684   13.908 -19.5044   15.953  1017.26  355.050  611.729  292.827 405.5306 460.2266 
1 1 1  -23   26    3 o  644.678  279.690  -0.4647   10.460  -1.3464   14.052   0.6310   15.665  730.531  320.405  793.149  343.188 -62.61768 469.5077 
1 1 1  -23   26    5 o  833.355  299.615   10.261   9.9652   17.660   13.916   2.4741   14.276  1037.51  355.541  785.453  333.471 252.0562 487.4554 
1 1 1  -23   26    7 o  862.353  302.104   11.460   10.074   20.077   13.438   0.4058   15.220  1084.75  348.665  780.091  337.906 304.6617 485.5388 
1 1 1  -23   26    9 o  1231.87  341.921   26.743   13.655   26.743   13.655   0.0000   0.0000  1231.87  341.921  ?   ?  0.000000 341.9210 
1 1 1  -23   26   11 o  712.096  303.928   1.3376   11.972   1.3376   11.972   0.0000   0.0000  712.096  303.928  ?   ?  0.000000 303.9276 
1 1 1  -23   26   13 o  669.695  264.932   4.6050   8.2349   23.899   11.301 -17.2361   12.024  1170.18  305.240  514.845  248.402 655.3397 393.5419 
1 1 1  -23   26   15 o  656.024  283.781  -0.0000   10.706  -0.0000   10.706   0.0000   0.0000  656.024  283.781  ?   ?  0.000000 283.7807 
1 1 1  -23   26   17 o  1008.02  339.660   17.105   12.699   0.0000   0.0000   17.105   12.699  ?   ?   1008.02  339.660 0.000000 339.6604 
1 1 1  -23   26   19 o  358.083  176.895 -15.5708   7.2356  -3.6418   9.4119 -32.8090   11.314  562.365  253.397  400.480  201.339 161.8844 323.6471 
1 1 1  -23   26   21 o  772.755  264.465   9.4967   7.6998   9.2009   10.299   9.8716   11.595  805.508  302.014  840.226  319.231 -34.71790 439.4550 
1 1 1  -23   26   23 o  441.342  201.294  -3.4491   6.1620   6.3054   8.4644 -14.4480   8.9880  705.087  271.568  431.773  209.867 273.3138 343.2102 
1 1 1  -23   26   25 o  826.724  292.602   10.981   9.4687   10.981   9.4687   0.0000   0.0000  826.724  292.602  ?   ?  0.000000 292.6022 
1 1 1  -23   26   27 o  657.981  240.898   6.3001   6.4824   7.3819   9.1806   5.2244   9.1544  736.561  283.050  691.503  277.420 45.05768 396.3318 
1 1 1  -23   26   29 o  1342.89  190.676   30.272   7.7926   31.732   11.543   29.050   10.563  1323.71  286.792  1272.86  273.190 50.85071 396.0834 
1 1 1  -23   27    2 o  660.014  308.181 -12.6621   15.722   0.0000   0.0000 -12.6621   15.722  ?   ?   660.014  308.181 0.000000 308.1812 
1 1 1  -23   27    4 o  915.342  368.423   8.6808   16.203   0.0000   0.0000   8.6808   16.203  ?   ?   915.342  368.423 0.000000 368.4226 
1 1 1  -23   27    6 o  923.714  316.633   13.527   11.037   13.877   15.247   13.141   15.998  983.814  367.746  981.688  374.504 2.125916 524.8724 
1 1 1  -23   27    8 o  584.230  261.692  -3.5084   9.8740  -6.8143   14.221  -0.4313   13.720  674.576  306.946  735.117  319.625 -60.54059 443.1428 
1 1 1  -23   27   10 f  926.042  350.362   11.754   13.929   11.754   13.929   0.0000   0.0000  926.042  350.362  ?   ?  0.000000 350.3620 
1 1 1  -23   27   12 o  1070.79  288.442   19.732   9.8880   29.904   13.563   8.1916   14.446  1304.85  331.341  873.355  349.162 431.4979 481.3535 
1 1 1  -23   27   14 o  714.084  305.377   1.1810   12.130   1.1810   12.130   0.0000   0.0000  714.084  305.377  ?   ?  0.000000 305.3773 
1 1 1  -23   27   18 o  663.671  287.336  -0.0000   10.994  -0.0000   10.994   0.0000   0.0000  663.671  287.336  ?   ?  0.000000 287.3358 
1 1 1  -23   27   20 o  1190.17  315.063   25.091   11.926   25.091   11.926   0.0000   0.0000  1190.17  315.063  ?   ?  0.000000 315.0634 
1 1 1  -23   27   22 o  643.218  260.293   3.6828   8.1351  -9.2692   10.953   19.617   12.149  546.586  255.873  1055.55  330.608 -508.9623 418.0582 
1 1 1  -23   27   24 o  636.976  253.326   4.2060   7.5662  -4.9490   9.6596   18.741   12.171  551.003  251.588  1030.55  331.877 -479.5419 416.4603 
1 1 1  -23   28    1 o  694.426  289.308   2.5848   10.434   1.4993   14.952   3.6151   14.567  791.559  338.790  811.348  340.224 -19.78912 480.1368 
1 1 1  -23   28    3 o  655.215  302.856  -9.9947   14.602   0.0000   0.0000  -9.9947   14.602  ?   ?   655.215  302.856 0.000000 302.8558 
1 1 1  -23   28    5 o  713.159  320.126  -4.9356   14.860   0.0000   0.0000  -4.9356   14.860  ?   ?   713.159  320.126 0.000000 320.1256 
1 1 1  -23   28    7 o  812.028  342.823   3.0167   14.953   0.0000   0.0000   3.0167   14.953  ?   ?   812.028  342.823 0.000000 342.8227 
1 1 1  -23   28   11 o  697.354  284.273   3.7750   9.7864  -7.9466   13.621   16.281   14.070  646.995  296.666  1014.82  356.943 -367.8198 464.1323 
1 1 1  -23   28   13 o  530.972  256.882 -19.6424   13.072   0.0000   0.0000 -19.6424   13.072  ?   ?   530.972  256.882 0.000000 256.8819 
1 1 1  -23   28   15 o  503.849  245.695 -21.4527   12.599   0.0000   0.0000 -21.4527   12.599  ?   ?   503.849  245.695 0.000000 245.6949 
1 1 1  -23   28   17 o  610.382  260.524   0.6399   8.7974   9.8101   12.032  -9.8942   12.896  856.207  325.223  604.150  281.095 252.0572 429.8655 
1 1 1  -22    0    2 o  403.180  194.200   3.8441   2.8417   3.8441   2.8417   3.8441   2.8417  403.180  194.200  403.180  194.200 -0.000000 0.000000 
1 1 1  -22    0    4 o  1362.05  152.988   30.642   6.3133   30.642   6.3133   30.642   6.3133  1362.05  152.988  1362.05  152.988 -0.000000 0.000000 
1 1 1  -22    0    6 o  352.524  187.646   2.8896   2.8056   2.8896   2.8056   2.8896   2.8056  352.524  187.646  352.524  187.646 -0.000000 0.000000 
1 1 1  -22    0    8 o  481.948  196.967   5.1888   2.9272   5.1888   2.9272   5.1888   2.9272  481.948  196.967  481.948  196.967 -0.000000 0.000000 
1 1 1  -22    0   10 o  2406.84  170.045   94.102   12.668   94.102   12.668   94.102   12.668  2406.84  170.045  2406.84  170.045 -0.000000 0.000000 
1 1 1  -22    0   12 o  638.384  206.923   8.2799   3.6572   8.2799   3.6572   8.2799   3.6572  638.384  206.923  638.384  206.923 -0.000000 0.000000 
1 1 1  -22    0   14 o  919.483  120.138   14.040   3.2955   14.040   3.2955   14.040   3.2955  919.483  120.138  919.483  120.138 -0.000000 0.000000 
1 1 1  -22    0   16 o  1852.96  109.924   54.846   6.3265   54.846   6.3265   54.846   6.3265  1852.96  109.924  1852.96  109.924 -0.000000 0.000000 
1 1 1  -22    0   18 o  2108.95  169.289   72.594   11.014   72.594   11.014   72.594   11.014  2108.95  169.289  2108.95  169.289 -0.000000 0.000000 
1 1 1  -22    0   20 o  2104.34  114.122   70.707   7.4692   70.707   7.4692   70.707   7.4692  2104.34  114.122  2104.34  114.122 -0.000000 0.000000 
1 1 1  -22    0   22 o  1274.65  109.267   26.257   4.2874   26.257   4.2874   26.257   4.2874  1274.65  109.267  1274.65  109.267 -0.000000 0.000000 
1 1 1  -22    0   24 o  1047.52  117.111   18.024   3.7183   18.024   3.7183   18.024   3.7183  1047.52  117.111  1047.52  117.111 -0.000000 0.000000 
1 1 1  -22    0   26 o  1091.00  117.335   19.521   3.8912   19.521   3.8912   19.521   3.8912  1091.00  117.335  1091.00  117.335 -0.000000 0.000000 
1 1 1  -22    0   28 o  879.159  137.333   13.168   3.5055   13.168   3.5055   13.168   3.5055  879.159  137.333  879.159  137.333 -0.000000 0.000000 
1 1 1  -22    0   30 o  4666.28  259.796  369.185   37.690  369.185   37.690  369.185   37.690  4666.28  259.796  4666.28  259.796 -0.000000 0.000000 
1 1 1  -22    0   32 o  180.119  127.393  -3.5674   2.9393  -3.5674   2.9393  -3.5674   2.9393  180.119  127.393  180.119  127.393 -0.000000 0.000000 
1 1 1  -22    0   34 o  2834.16  186.730  131.468   16.406  131.468   16.406  131.468   16.406  2834.16  186.730  2834.16  186.730 -0.000000 0.000000 
1 1 1  -22    0   38 o  1773.53  113.717   50.391   6.2556   50.391   6.2556   50.391   6.2556  1773.53  113.717  1773.53  113.717 -0.000000 0.000000 
1 1 1  -22    0   40 o  1416.77  116.365   32.423   5.0821   32.423   5.0821   32.423   5.0821  1416.77  116.365  1416.77  116.365 -0.000000 0.000000 
1 1 1  -22    0   42 o  449.622  204.701   4.7377   3.1247   4.7377   3.1247   4.7377   3.1247  449.622  204.701  449.622  204.701 -0.000000 0.000000 
1 1 1  -22    0   44 o  1834.11  115.660   53.919   6.5819   53.919   6.5819   53.919   6.5819  1834.11  115.660  1834.11  115.660 -0.000000 0.000000 
1 1 1  -22    0   46 o  1652.22  115.189   43.869   5.8928   43.869   5.8928   43.869   5.8928  1652.22  115.189  1652.22  115.189 -0.000000 0.000000 
1 1 1  -22    0   48 o  125.001   91.411  -5.4696   2.2240  -5.4696   2.2240  -5.4696   2.2240  125.001   91.411  125.001   91.411 -0.000000 0.000000 
1 1 1  -22    0   50 o  600.090  263.280   8.6408   5.1680   8.6408   5.1680   8.6408   5.1680  600.090  263.280  600.090  263.280 -0.000000 0.000000 
1 1 1  -22    0   52 o  3214.00  140.180  167.701   14.046  167.701   14.046  167.701   14.046  3214.00  140.180  3214.00  140.180 -0.000000 0.000000 
1 1 1  -22    0   54 o  680.595  191.356   9.1451   3.5302   9.1451   3.5302   9.1451   3.5302  680.595  191.356  680.595  191.356 -0.000000 0.000000 
1 1 1  -22    0   56 o  2209.23  122.428   79.487   8.4097   79.487   8.4097   79.487   8.4097  2209.23  122.428  2209.23  122.428 -0.000000 0.000000 
1 1 1  -22    0   58 o  6325.80  245.404  715.492   48.443  715.492   48.443  715.492   48.443  6325.80  245.404  6325.80  245.404 -0.000000 0.000000 
1 1 1  -22    0   60 o  5616.40  218.259  554.669   38.252  554.669   38.252  554.669   38.252  5616.40  218.259  5616.40  218.259 -0.000000 0.000000 
1 1 1  -22    1    1 o  1781.50  107.099   50.785   5.9465   48.184   8.4484   53.340   8.3715  1712.88  159.346  1807.91  149.213 -95.03809 218.3013 
1 1 1  -22    1    3 o  2434.76  117.558   94.875   8.9624  101.493   12.692   88.293   12.658  2488.24  163.813  2312.02  176.170 176.2253 240.5631 
1 1 1  -22    1    5 o  2965.42  128.717  141.343   11.952  150.485   16.950  132.302   16.856  3017.99  180.185  2819.17  192.090 198.8230 263.3734 
1 1 1  -22    1    7 o  664.574  120.988   7.2835   2.4249   7.1988   3.4725   7.3641   3.3879  651.193  168.876  658.999  164.652 -7.806519 235.8587 
1 1 1  -22    1    9 o  723.946  119.026   8.6004   2.6044   6.7583   3.7240   10.364   3.6436  631.499  179.726  786.254  153.504 -154.7552 236.3573 
1 1 1  -22    1   11 o  1104.38  105.747   19.623   3.6121   20.678   5.1239   18.581   5.0928  1119.38  149.956  1056.92  158.795 62.46301 218.4097 
1 1 1  -22    1   13 o  747.211  108.532   9.0947   2.4651   8.7762   4.7750   9.2104   2.8783  712.792  203.739  746.808  127.671 -34.01648 240.4362 
1 1 1  -22    1   15 f  2190.91   79.502   76.022   5.4540   76.605   7.7273   75.443   7.6991  2183.69  113.401  2166.78  113.877 16.90283 160.7100 
1 1 1  -22    1   17 o  1027.69   78.902   16.829   2.5197   22.188   3.6147   11.765   3.5141  1175.38   99.141  841.671  138.130 333.7073 170.0258 
1 1 1  -22    1   19 f  1140.64   78.066   20.720   2.7715   18.588   3.9931   22.702   3.8497  1067.07  121.684  1186.45  104.698 -119.3831 160.5266 
1 1 1  -22    1   21 o  1477.09   76.362   34.698   3.5198   33.853   5.0067   35.524   4.9493  1446.36  111.407  1483.56  107.265 -37.20264 154.6520 
1 1 1  -22    1   23 o  322.657  119.153   1.3650   1.5911   2.4489   2.5373   0.6626   2.0425  415.214  150.912  315.779  129.428 99.43521 198.8112 
1 1 1  -22    1   25 o  1624.40   78.501   42.042   3.9929   38.901   5.7107   45.046   5.5850  1541.11  119.270  1665.65  107.661 -124.5325 160.6738 
1 1 1  -22    1   27 o  723.964   98.464   8.6088   2.1742   8.0373   3.1668   9.1184   2.9903  678.880  152.676  731.311  135.578 -52.43103 204.1849 
1 1 1  -22    1   29 o  1938.92  116.032   62.004   7.0123   71.558   9.9995   52.759   9.8361  2040.72  157.712  1722.43  185.290 318.2906 243.3213 
1 1 1  -22    1   31 o  1250.59  121.447   26.115   4.6958   24.694   6.5518   27.616   6.7337  1170.39  184.920  1244.52  177.854 -74.12830 256.5684 
1 1 1  -22    1   33 o  2106.28  119.680   73.624   7.8607   78.059   11.231   69.364   11.006  2107.71  171.658  1976.00  179.850 131.7035 248.6206 
1 1 1  -22    1   35 f  1149.44  177.650   23.605   6.1878   0.0000   0.0000   23.605   6.1878  ?   ?   1149.44  177.650 0.000000 177.6499 
1 1 1  -22    1   37 o  2088.07  120.041   72.595   7.8156   72.595   7.8156   0.0000   0.0000  2088.07  120.041  ?   ?  0.000000 120.0406 
1 1 1  -22    1   39 o  1478.36   93.231   35.738   4.2936   40.765   5.2904   26.036   7.3494  1567.72  108.437  1167.24  208.743 400.4762 235.2282 
1 1 1  -22    1   41 o  2412.29   86.115   94.757   6.5047   93.287   9.1559   96.255   9.2429  2341.10  125.355  2379.43  124.488 -38.32935 176.6668 
1 1 1  -22    1   43 o  355.294  132.740   1.8566   1.9860   2.8046   2.6229   0.5828   3.0403  416.329  153.112  352.961  151.957 63.36816 215.7179 
1 1 1  -22    1   45 o  692.971  114.857   8.3590   2.4050   10.724   3.2535   5.5102   3.5708  769.158  140.257  532.251  180.110 236.9065 228.2798 
1 1 1  -22    1   47 f  733.602  111.462   9.4428   2.4798   8.5589   3.3237   10.553   3.7243  659.300  162.128  730.592  166.508 -71.29120 232.4013 
1 1 1  -22    1   49 o  1931.44  100.870   65.298   6.0792   64.742   7.3985   66.455   10.666  1866.00  127.386  1696.64  204.926 169.3601 241.2923 
1 1 1  -22    1   51 f  947.947  103.994   16.694   3.0361   16.215   4.2559   17.191   4.3326  837.969  168.046  867.914  165.463 -29.94519 235.8335 
1 1 1  -22    1   53 o  1481.49   90.385   40.997   4.1729   43.142   5.8077   38.709   5.9995  1390.06  135.139  1260.65  155.268 129.4019 205.8421 
1 1 1  -22    1   55 o  1008.32  105.233   21.391   3.2736   22.486   4.6348   20.300   4.6242  854.493  178.959  772.984  191.933 81.50958 262.4202 
1 1 1  -22    1   57 o  2520.28  120.001  156.998   9.4700  152.382   13.339  161.689   13.447  1536.97  287.745  1687.51  263.057 -150.5389 389.8666 
1 1 1  -22    1   59 o  1662.43  106.568   68.506   5.5181   65.766   7.7650   71.300   7.8432  996.086  249.495  1128.70  229.733 -132.6100 339.1536 
1 1 1  -22    1   61 o  1066.24  120.379   34.718   3.9487   32.313   5.4445   37.387   5.7354  497.960  208.352  548.248  219.714 -50.28790 302.7943 
1 1 1  -22    2    2 o  1628.67  103.498   42.405   5.2507   49.673   7.4955   35.402   7.3577  1749.71  137.928  1464.84  163.186 284.8787 213.6680 
1 1 1  -22    2    4 o  384.031  126.822   2.2720   1.7719   4.2998   2.5967   0.5051   2.4240  510.389  151.506  335.672  139.612 174.7177 206.0232 
1 1 1  -22    2    6 o  591.376  126.134   5.8173   2.2644   4.4085   3.3092   7.0577   3.1052  526.279  173.292  646.613  155.314 -120.3333 232.7071 
1 1 1  -22    2    8 o  1279.36  100.111   26.194   3.9785   33.739   5.7672   19.344   5.4954  1443.31  128.969  1075.82  168.679 367.4961 212.3341 
1 1 1  -22    2   10 o  1202.89  105.087   23.235   3.9184   24.745   5.6053   21.791   5.4798  1226.80  148.974  1147.36  156.620 79.44177 216.1551 
1 1 1  -22    2   12 o  597.365  100.685   5.8313   1.8163   8.0862   2.4891   3.2628   2.6565  701.603  117.452  459.987  155.350 241.6160 194.7524 
1 1 1  -22    2   14 o  996.495   79.447   15.818   2.4584   17.350   3.5836   14.456   3.3788  1035.46  112.327  942.802  116.963 92.66315 162.1654 
1 1 1  -22    2   16 o  733.849   89.335   8.6776   2.0104   9.6437   3.0038   7.8936   2.7058  763.068  130.401  688.789  130.229 74.27856 184.2934 
1 1 1  -22    2   18 o  874.133   78.817   12.206   2.1341   13.513   2.9842   10.837   3.0532  913.047  106.373  811.140  124.161 101.9073 163.4972 
1 1 1  -22    2   20 o  1314.81   75.257   27.483   3.0854   29.113   4.4237   25.938   4.3056  1343.54  106.014  1266.42  109.660 77.12024 152.5267 
1 1 1  -22    2   22 o  2379.77   83.967   90.157   6.2570   96.945   8.8805   83.465   8.8172  2449.56  115.780  2264.17  124.849 185.3955 170.2712 
1 1 1  -22    2   24 o  1453.03   77.879   33.685   3.5304   34.779   5.0618   32.649   4.9265  1462.44  111.375  1416.42  111.991 46.02014 157.9442 
1 1 1  -22    2   26 o  1101.73   85.657   19.545   2.9317   20.845   4.2487   18.364   4.0506  1122.09  122.935  1051.26  125.538 70.83752 175.7061 
1 1 1  -22    2   28 o  703.959  153.454   8.6731   3.2871   2.0107   4.8634   14.276   4.4600  474.518  197.591  902.564  163.847 -428.0466 256.6864 
1 1 1  -22    2   30 o  1726.04   91.674   48.270   4.9369   44.990   8.7821   49.785   5.9694  1593.55  179.104  1740.16  110.121 -146.6097 210.2491 
1 1 1  -22    2   32 o  1144.62  122.210   21.914   4.3124   20.898   6.1976   22.868   6.0042  1070.36  191.970  1133.93  174.714 -63.57336 259.5714 
1 1 1  -22    2   34 o  835.665  140.614   12.014   3.5488   13.916   5.1902   10.345   4.8632  867.240  195.770  741.637  203.339 125.6033 282.2634 
1 1 1  -22    2   36 o  2291.47   98.361   85.405   7.0575   84.161   8.6922   87.812   12.090  2247.31  124.004  2231.38  174.425 15.92773 214.0117 
1 1 1  -22    2   38 o  2085.00  119.738   72.533   7.7844   72.533   7.7844   0.0000   0.0000  2085.00  119.738  ?   ?  0.000000 119.7377 
1 1 1  -22    2   40 o  2774.33  107.486  127.492   9.3374  128.441   11.456  125.614   16.118  2744.46  133.304  2579.33  201.153 165.1252 241.3140 
1 1 1  -22    2   42 o  1969.17   82.374   63.068   5.0792   60.995   7.1756   65.150   7.1905  1892.18  121.757  1960.98  117.646 -68.80811 169.3083 
1 1 1  -22    2   44 o  2977.23   96.101  147.059   8.9590  145.708   12.648  148.419   12.692  2872.68  140.607  2901.38  139.708 -28.69897 198.2135 
1 1 1  -22    2   46 o  1050.37   91.345   18.464   2.9744   17.861   4.0645   19.160   4.3644  998.319  133.357  1028.94  139.020 -30.62524 192.6414 
1 1 1  -22    2   48 o  2758.40   94.446  129.383   8.1575  123.230   11.423  135.787   11.653  2562.35  142.944  2704.94  138.044 -142.5972 198.7192 
1 1 1  -22    2   50 o  1216.54   90.841   25.929   3.4354   23.906   4.8121   28.031   4.9061  1084.63  145.345  1195.93  133.280 -111.2939 197.2025 
1 1 1  -22    2   52 o  2701.69  101.873  137.987   8.6181  132.670   12.127  143.412   12.250  2333.95  167.043  2464.75  159.577 -130.7976 231.0158 
1 1 1  -22    2   54 o  2140.67   96.617   89.828   6.4762   90.195   9.1152   89.454   9.2029  1856.78  158.292  1831.64  162.137 25.14722 226.5933 
1 1 1  -22    2   56 o  962.867  109.456   20.620   3.2414   20.666   4.3708   20.564   4.8319  779.860  182.265  686.396  207.338 93.46399 276.0606 
1 1 1  -22    2   58 o  2248.25  117.284  128.342   8.2280  130.561   11.515  126.027   11.761  1464.88  260.592  1261.74  301.755 203.1375 398.7029 
1 1 1  -22    2   60 o  1978.17  272.019  313.597   16.403  303.955   23.139  323.338   23.257  ?   ?   ?   ?  0.000000      ? 
1 1 1  -22    3    1 o  1250.91  150.090   25.705   5.7615   25.705   5.7615   0.0000   0.0000  1250.91  150.090  ?   ?  0.000000 150.0900 
1 1 1  -22    3    3 f  425.065  133.656   2.8883   1.9834   3.9229   2.8521   1.9194   2.7601  495.914  160.754  406.072  155.400 89.84274 223.5869 
1 1 1  -22    3    5 o  474.382  127.967   3.7370   1.9446   0.7628   2.8195   6.4352   2.6855  366.863  151.411  619.585  141.523 -252.7225 207.2537 
1 1 1  -22    3    7 o  1223.94   99.366   23.973   3.7753   30.192   5.5224   18.517   5.1728  1364.32  130.875  1055.04  161.739 309.2797 208.0573 
1 1 1  -22    3    9 o  1275.88   84.663   25.893   3.3631   26.273   4.1818   25.198   5.6589  1279.80  105.286  1238.56  148.899 41.24780 182.3625 
1 1 1  -22    3   11 o  1769.35   74.834   49.473   4.1460   43.686   5.8301   55.393   5.8972  1649.05  113.602  1862.36  101.509 -213.3099 152.3462 
1 1 1  -22    3   13 o  393.064  110.428   2.5392   1.4153   1.9127   2.0097   3.1556   1.9935  372.830  134.491  440.070  133.233 -67.23956 189.3116 
1 1 1  -22    3   15 o  1769.14   75.793   49.513   4.1986   49.391   5.9519   49.634   5.9238  1754.20  108.895  1758.84  108.085 -4.637573 153.4291 
1 1 1  -22    3   17 f  873.625   79.699   12.192   2.1562   12.256   3.0314   12.126   3.0676  866.979  114.462  861.641  116.702 5.338257 163.4656 
1 1 1  -22    3   19 o  216.523   97.812  -0.7240   1.4127  -1.7738   2.3133  -0.0996   1.7841  260.615  120.491  269.838  116.287 -9.223206 167.4540 
1 1 1  -22    3   21 o  1297.49   77.387   26.805   3.1297   24.548   4.4648   28.986   4.3884  1228.01  117.550  1340.06  105.435 -112.0546 157.9066 
1 1 1  -22    3   23 o  1522.43   76.680   36.917   3.6437   40.436   5.2599   33.670   5.0523  1581.10  106.870  1439.39  113.006 141.7091 155.5368 
1 1 1  -22    3   25 o  1141.39   93.678   21.044   3.3185   20.911   6.2303   21.097   3.9210  1089.12  189.577  1135.57  111.718 -46.45361 220.0463 
1 1 1  -22    3   27 o  729.676  153.052   9.2601   3.3853   8.9820   5.1608   9.4702   4.4850  696.725  215.031  720.583  194.327 -23.85840 289.8303 
1 1 1  -22    3   29 o  1119.42   96.235   20.417   3.3404   20.294   5.9930   20.472   4.0234  1062.34  186.992  1110.54  117.485 -48.20276 220.8365 
1 1 1  -22    3   31 o  475.567  143.035   3.8890   2.3032   1.2577   4.8451   4.6573   2.6179  453.430  193.431  516.468  151.813 -63.03799 245.8918 
1 1 1  -22    3   33 o  2336.53   99.735   88.697   7.2968   90.930   8.9745   84.340   12.534  2341.23  122.849  2178.30  185.525 162.9270 222.5110 
1 1 1  -22    3   35 o  1284.43   95.289   26.858   3.8051   28.828   4.6901   23.066   6.5085  1319.87  114.622  1127.89  191.113 191.9851 222.8506 
1 1 1  -22    3   37 o  2740.37  106.119  123.015   9.1059  127.390   11.169  114.342   15.726  2759.29  129.266  2495.02  203.053 264.2688 240.7083 
1 1 1  -22    3   39 o  2072.91  122.311   72.135   7.9037   72.135   7.9037   0.0000   0.0000  2072.91  122.311  ?   ?  0.000000 122.3108 
1 1 1  -22    3   41 o  1201.65  101.537   23.984   3.7847   27.390   4.6885   17.612   6.4124  1271.28  119.173  931.213  222.883 340.0618 252.7433 
1 1 1  -22    3   43 o  469.367  136.553   3.9468   2.1278   5.2674   3.0406   2.6795   2.9787  531.188  165.238  420.533  161.317 110.6557 230.9260 
1 1 1  -22    3   45 o  1214.13   85.068   24.315   3.2136   27.047   4.5034   21.481   4.5873  1254.29  115.976  1098.80  136.251 155.4840 178.9265 
1 1 1  -22    3   47 o  2678.59   92.824  120.468   7.7854  115.725   10.993  125.241   11.027  2517.06  140.037  2634.14  134.137 -117.0720 193.9153 
1 1 1  -22    3   49 o  2209.01   87.835   83.265   6.0755   84.564   8.5599   81.945   8.6246  2124.62  129.282  2081.48  133.022 43.13940 185.4959 
1 1 1  -22    3   51 o  3909.56  133.142  311.141   16.299  296.065   23.020  326.295   23.080  3114.50  237.849  3404.81  217.623 -290.3123 322.3845 
1 1 1  -22    3   53 o  1664.05   89.875   51.632   4.6656   49.659   6.5691   53.641   6.6277  1455.42  146.117  1534.92  139.419 -79.49463 201.9602 
1 1 1  -22    3   55 o  1771.25   94.646   62.725   5.2303   58.800   7.3088   66.845   7.4879  1431.25  166.178  1575.75  153.718 -144.5004 226.3715 
1 1 1  -22    3   57 o  2335.50  111.100  127.398   8.1247  112.358   11.419  142.817   11.562  1345.05  280.230  1910.69  196.033 -565.6351 341.9911 
1 1 1  -22    3   59 o  1674.98  147.004   91.758   7.6320   91.617   9.2541   92.058   13.495  1156.73  261.621  ?   ?  0.000000 261.6215 
1 1 1  -22    3   61 o  1204.57  306.468  166.165   11.587  163.070   14.104  172.592   20.326  428.952  216.761  ?   ?  0.000000 216.7607 
1 1 1  -22    4    2 o  624.445  107.752   6.3845   2.0307   6.7868   2.6002   5.7556   3.2515  638.017  134.400  585.715  168.341 52.30133 215.4114 
1 1 1  -22    4    4 o  1112.12   88.903   19.725   3.0700   21.359   3.8146   16.721   5.1723  1153.01  106.873  998.308  171.652 154.7023 202.2042 
1 1 1  -22    4    6 o  1015.16   88.566   16.454   2.7871   18.283   3.4823   13.194   4.6487  1066.31  105.688  883.406  174.246 182.9088 203.7935 
1 1 1  -22    4    8 o  520.534  115.287   4.4956   1.8296   4.3724   2.3409   4.6891   2.9327  512.260  141.336  533.231  161.634 -20.97095 214.7124 
1 1 1  -22    4   10 f  860.864   80.414   11.824   2.1425   12.828   3.0539   10.851   3.0066  889.516  112.137  814.427  121.623 75.08978 165.4295 
1 1 1  -22    4   12 o  698.397   88.451   7.8552   1.8909   8.1667   2.7356   7.5702   2.6167  702.168  129.183  675.627  128.383 26.54102 182.1280 
1 1 1  -22    4   14 o  2110.80   79.054   70.524   5.2250   72.574   7.4042   68.491   7.3744  2127.09  111.556  2064.90  114.504 62.19263 159.8617 
1 1 1  -22    4   16 f  1105.89   74.782   19.432   2.5743   20.529   3.6874   18.389   3.5956  1128.84  105.546  1066.82  109.177 62.02527 151.8538 
1 1 1  -22    4   18 o  379.779  120.938   2.2909   1.6197   3.9408   2.6005   1.2453   2.0703  490.228  152.865  343.368  133.730 146.8599 203.1043 
1 1 1  -22    4   20 o  1699.10   76.123   45.766   4.0500   45.801   5.8116   45.732   5.6470  1684.81  110.778  1684.95  107.593 -0.1367188 154.4281 
1 1 1  -22    4   22 o  942.036   84.179   14.236   2.4569   14.741   3.6401   13.814   3.3298  945.101  126.153  917.103  118.741 27.99878 173.2451 
1 1 1  -22    4   24 o  2776.25  103.897  124.226   9.0319  128.392   15.774  122.194   11.017  2733.84  185.359  2732.59  128.754 1.245117 225.6888 
1 1 1  -22    4   26 o  863.687  140.583   12.654   3.6712   15.437   5.4579   10.355   4.9612  926.607  194.319  751.625  205.089 174.9816 282.5269 
1 1 1  -22    4   28 o  2626.45  101.371  111.837   8.3368  126.758   14.624  104.654   10.147  2704.09  173.631  2510.90  129.503 193.1885 216.6072 
1 1 1  -22    4   30 o  690.209  112.183   7.9702   2.3412   5.2870   3.6151   9.9086   3.0727  550.794  181.112  762.019  133.649 -211.2254 225.0862 
1 1 1  -22    4   32 o  1077.14   98.310   18.945   3.2792   20.501   6.1978   18.340   3.8645  1063.31  193.268  1049.42  119.749 13.88757 227.3589 
1 1 1  -22    4   34 o  1280.22  118.176   27.157   4.6838   29.892   6.9371   24.865   6.3497  1303.81  174.284  1186.31  176.298 117.4962 247.9026 
1 1 1  -22    4   36 o  1196.10  102.661   23.456   3.8077   21.995   4.7414   26.110   6.3901  1139.36  135.561  1215.57  172.746 -76.21130 219.5858 
1 1 1  -22    4   38 o  1559.35   93.822   39.627   4.5597   43.565   5.6965   32.605   7.6071  1621.20  112.921  1339.96  186.350 281.2377 217.8930 
1 1 1  -22    4   40 o  872.061  113.310   12.821   3.0210   10.977   3.7033   16.489   5.2229  781.439  156.801  941.340  183.789 -159.9011 241.5884 
1 1 1  -22    4   42 o  2502.36  102.822  103.797   8.0566  106.156   9.9210   99.230   13.806  2491.20  127.611  2284.60  194.856 206.6025 232.9240 
1 1 1  -22    4   44 o  3754.72  109.532  237.267   12.878  222.055   18.143  252.710   18.281  3476.38  166.675  3743.17  155.970 -266.7896 228.2698 
1 1 1  -22    4   46 o  1790.11   82.859   52.731   4.6445   48.649   6.4322   57.177   6.7134  1666.81  124.131  1815.55  118.746 -148.7474 171.7822 
1 1 1  -22    4   48 o  333.124  133.311   1.5139   2.1081  -1.9157   2.7786   6.1662   3.2362  269.774  127.099  541.750  170.782 -271.9763 212.8864 
1 1 1  -22    4   50 o  1579.89   86.451   43.339   4.2606   42.730   5.9743   43.970   6.0777  1480.51  130.196  1500.94  130.620 -20.42688 184.4249 
1 1 1  -22    4   52 o  433.834  143.792   4.4589   2.2771   6.2685   3.1418   2.4564   3.3050  477.256  168.587  349.562  154.277 127.6931 228.5237 
1 1 1  -22    4   54 f  224.098  107.559  -1.1697   2.1844  -0.8650   2.8591  -1.5971   3.3856  253.802  122.129  258.244  126.240 -4.441864 175.6472 
1 1 1  -22    4   56 o  1525.42  117.097   53.814   5.5504   51.687   6.7378   58.306   9.7906  1286.86  171.480  739.383  290.023 547.4814 336.9255 
1 1 1  -22    4   58 o  1648.44  129.707   74.258   6.6410   74.265   8.0624   74.245   11.712  1320.06  201.434  473.515  232.168 846.5403 307.3722 
1 1 1  -22    4   60 o  312.034  142.192   6.6421   3.0663   6.2048   3.6756   7.6429   5.5606  279.344  135.414  259.225  131.501 20.11871 188.7578 
1 1 1  -22    5    1 o  382.503  120.046   2.3255   1.6009   1.8452   1.9894   3.2078   2.6964  369.035  133.705  459.104  156.505 -90.06888 205.8415 
1 1 1  -22    5    3 o  1305.30   86.050   27.098   3.4973   25.206   4.3181   30.705   5.9626  1252.09  111.299  1372.76  140.703 -120.6700 179.4014 
1 1 1  -22    5    5 o  1411.88   85.953   31.682   3.7818   31.134   4.6598   32.740   6.4732  1393.69  107.612  1415.05  148.298 -21.36316 183.2283 
1 1 1  -22    5    7 o  1326.72   85.545   27.987   3.5349   29.221   4.3789   25.679   5.9891  1350.81  104.336  1248.19  156.691 102.6141 188.2496 
1 1 1  -22    5    9 o  1107.21   74.305   19.448   2.5612   20.727   3.6042   18.143   3.6402  1136.73  102.355  1060.55  111.276 76.18921 151.1916 
1 1 1  -22    5   11 o  1245.78   74.523   24.605   2.8937   24.332   4.0719   24.884   4.1129  1230.79  106.713  1244.84  106.543 -14.04272 150.7948 
1 1 1  -22    5   13 o  832.901   81.230   11.084   2.0915   10.287   2.9513   11.889   2.9645  791.780  123.032  855.075  113.529 -63.29517 167.4089 
1 1 1  -22    5   15 o  446.135  105.804   3.3032   1.4556   4.1994   2.1160   2.4980   2.0056  501.095  132.743  403.182  134.989 97.91309 189.3221 
1 1 1  -22    5   17 o  989.456   79.999   15.613   2.4573   17.127   3.7090   14.429   3.2807  1026.26  117.538  942.166  113.489 84.09741 163.3855 
1 1 1  -22    5   19 f  1343.13   75.824   28.668   3.1759   32.503   4.6978   25.441   4.3099  1420.56  106.386  1254.32  110.877 166.2404 153.6611 
1 1 1  -22    5   21 o  1954.98   89.884   60.943   5.5023   60.323   9.6522   61.242   6.6970  1899.67  163.871  1948.04  110.242 -48.37109 197.5020 
1 1 1  -22    5   23 o  856.484  102.184   11.946   2.6863   10.842   4.7497   12.466   3.2574  780.413  194.939  867.828  123.342 -87.41473 230.6824 
1 1 1  -22    5   25 o  266.250  115.572  -0.1624   1.7879   2.4912   3.4743  -1.1182   2.0852  446.981  173.474  258.739  117.656 188.2416 209.6094 
1 1 1  -22    5   27 f  1448.20   90.188   33.823   4.0695   34.293   7.1656   33.599   4.9441  1411.66  165.235  1432.69  111.078 -21.02466 199.1005 
1 1 1  -22    5   29 o  1672.07   78.856   44.710   4.1286   48.068   5.9672   41.625   5.7183  1712.49  111.897  1590.74  115.593 121.7488 160.8810 
1 1 1  -22    5   31 o  1769.98   79.883   50.139   4.4273   50.825   6.3809   49.502   6.1480  1757.27  116.627  1736.25  113.713 21.01660 162.8881 
1 1 1  -22    5   33 o  3070.57  209.499  170.380   20.022   0.0000   0.0000  170.380   20.022  ?   ?   3070.57  209.499 0.000000 209.4992 
1 1 1  -22    5   35 o  812.722  117.630   11.042   2.9064   13.758   3.5524   5.5424   5.0546  903.239  129.294  577.012  212.497 326.2269 248.7409 
1 1 1  -22    5   37 o  1846.28   95.298   55.411   5.4905   56.154   6.8119   54.032   9.2764  1840.04  118.863  1753.69  171.111 86.35242 208.3449 
1 1 1  -22    5   39 o  2836.53  108.931  132.700   9.6751  133.134   11.870  131.840   16.699  2802.94  135.250  2664.49  201.649 138.4478 242.8064 
1 1 1  -22    5   41 o  1443.01   99.984   34.403   4.4898   35.974   5.5793   31.516   7.5634  1456.06  123.537  1295.36  192.307 160.6938 228.5683 
1 1 1  -22    5   43 o  1875.50   98.623   58.284   5.7715   62.003   7.0773   50.900   9.9719  1911.07  118.858  1620.89  200.772 290.1874 233.3169 
1 1 1  -22    5   45 o  1593.84   83.804   41.727   4.1677   46.575   5.7570   36.389   6.0414  1654.52  111.779  1434.58  136.122 219.9384 176.1354 
1 1 1  -22    5   47 o  449.866  140.990   3.7908   2.2091   0.4855   2.9641   7.9203   3.3131  337.667  147.650  629.672  165.766 -292.0054 221.9890 
1 1 1  -22    5   49 o  1254.94   89.219   27.129   3.4830   29.977   4.8077   23.984   5.0529  1270.41  122.372  1092.37  151.830 178.0391 195.0057 
1 1 1  -22    5   51 o  2611.10   98.058  124.510   8.0172  122.585   11.238  126.506   11.441  2361.47  152.798  2396.97  153.236 -35.50366 216.3991 
1 1 1  -22    5   53 o  485.963  163.800   6.6932   2.9533   4.1739   3.4064   14.319   5.9265  379.077  161.963  532.259  219.578 -153.1825 272.8488 
1 1 1  -22    5   55 o  563.739  168.091   9.9839   3.1910   10.574   3.7006   8.2734   6.3013  528.443  183.216  362.361  176.035 166.0818 254.0794 
1 1 1  -22    5   57 o  1728.14  125.859   75.568   6.7637   68.871   8.2515   89.281   11.808  1280.41  213.315  748.840  309.520 531.5740 375.9070 
1 1 1  -22    5   59 o  1474.99  105.905   53.142   4.8587   51.751   6.7593   54.630   6.9890  964.797  227.452  975.891  232.102 -11.09381 324.9709 
1 1 1  -22    5   61 o  1247.69  159.525   63.528   6.0897   66.319   7.4360   57.843   10.612  767.889  259.908  ?   ?  0.000000 259.9083 
1 1 1  -22    6    2 o  1463.71   86.336   34.050   3.9395   35.675   4.8628   30.946   6.7196  1493.23  104.663  1370.62  159.556 122.6101 190.8208 
1 1 1  -22    6    4 o  294.893  112.945   0.9592   1.4587  -0.3320   1.7957   3.4644   2.5013  263.360  115.047  466.918  150.459 -203.5576 189.4034 
1 1 1  -22    6    6 f  1259.11   75.447   25.128   2.9609   25.173   4.1675   25.082   4.2073  1252.49  107.301  1249.86  108.584 2.625977 152.6562 
1 1 1  -22    6    8 o  683.229   87.637   7.5131   1.8317   7.0963   2.5736   7.9408   2.6074  653.748  130.298  693.921  124.578 -40.17261 180.2701 
1 1 1  -22    6   10 o  832.577   80.639   11.066   2.0759   6.9320   2.9786   14.970   2.8948  641.499  150.824  965.901   97.024 -324.4020 179.3358 
1 1 1  -22    6   12 o  1852.43   77.265   54.259   4.4817   55.152   6.3628   53.380   6.3135  1855.18  110.025  1824.66  111.031 30.51624 156.3114 
1 1 1  -22    6   14 o  1063.24   80.547   17.998   2.6617   16.218   3.9424   19.490   3.6083  995.708  129.512  1100.19  106.054 -104.4873 167.3946 
1 1 1  -22    6   16 o  1322.56   76.790   27.774   3.1664   30.590   4.6217   25.284   4.3468  1379.06  107.890  1251.66  112.096 127.3978 155.5819 
1 1 1  -22    6   18 o  1735.22   76.998   47.700   4.1836   47.922   5.9874   47.487   5.8481  1724.93  111.450  1717.98  109.281 6.948486 156.0876 
1 1 1  -22    6   20 o  353.145  131.408   1.6057   1.9425   4.0742   3.8890   0.7851   2.2422  520.817  187.181  333.368  136.003 187.4485 231.3735 
1 1 1  -22    6   22 f  2979.94  104.518  142.764   9.7525  148.495   16.981  139.944   11.913  2954.17  184.498  2929.58  129.868 24.58862 225.6217 
1 1 1  -22    6   24 o  3475.07  114.568  195.950   12.466  209.136   21.672  189.429   15.241  3462.51  200.747  3382.63  143.890 79.88770 246.9888 
1 1 1  -22    6   26 o  704.519  102.818   8.1710   2.2014   7.8806   3.2882   8.4069   2.9635  671.910  158.804  701.523  139.817 -29.61273 211.5831 
1 1 1  -22    6   28 o  1951.20   80.991   60.867   4.9483   65.183   7.1047   56.801   6.8957  1996.08  114.146  1859.41  119.063 136.6714 164.9399 
1 1 1  -22    6   30 o  1000.31   86.422   16.157   2.6804   17.533   3.9872   15.023   3.6205  1025.12  126.927  948.873  124.889 76.25037 178.0669 
1 1 1  -22    6   32 o  1483.07  115.521   36.107   5.3223   35.191   7.6432   36.970   7.4157  1422.80  175.264  1467.32  164.219 -44.51941 240.1781 
1 1 1  -22    6   34 o  1200.81  119.418   23.849   4.4306   19.346   6.3737   28.060   6.1632  1029.17  204.983  1279.75  157.102 -250.5811 258.2616 
1 1 1  -22    6   36 f  1882.89   95.319   57.472   5.6015   52.717   6.8519   67.053   9.7263  1782.58  123.517  1976.48  158.492 -193.8994 200.9382 
1 1 1  -22    6   38 o  2337.82  101.093   89.176   7.4003   94.183   9.1018   79.411   12.712  2377.37  122.686  2086.43  196.898 290.9390 231.9929 
1 1 1  -22    6   40 o  2277.88  101.173   85.132   7.2163   86.341   8.8630   82.753   12.429  2263.55  125.539  2124.06  188.852 139.4861 226.7708 
1 1 1  -22    6   42 o  2506.25  102.881  103.827   8.0738  113.751   9.9126   84.268   13.916  2595.65  121.963  2072.21  217.726 523.4431 249.5587 
1 1 1  -22    6   44 o  2510.38  105.947  105.301   8.3281  106.745   10.199  102.412   14.426  2482.95  131.657  2286.52  203.616 196.4260 242.4725 
1 1 1  -22    6   46 o  726.630  117.330   9.2672   2.5786   4.2474   3.3781   16.276   3.9916  478.191  174.078  948.511  138.478 -470.3198 222.4395 
1 1 1  -22    6   48 o  2138.17   86.863   77.145   5.8156   73.352   8.1423   81.095   8.3093  1992.66  131.230  2106.57  126.558 -113.9025 182.3136 
1 1 1  -22    6   50 o  2527.57   94.489  113.275   7.4783  108.606   10.516  118.052   10.637  2289.34  147.485  2409.89  141.579 -120.5447 204.4424 
1 1 1  -22    6   52 o  2540.60  120.837  131.088   9.6129  127.839   11.703  137.827   16.855  2301.22  163.476  1675.31  333.029 625.9108 370.9885 
1 1 1  -22    6   54 o  608.956  166.200   10.495   3.2576   9.3784   3.8065   13.553   6.2976  506.478  184.724  461.020  207.546 45.45734 277.8459 
1 1 1  -22    6   56 o  1339.39   99.560   37.627   4.1456   34.219   5.6144   41.713   6.1474  1027.01  181.212  1146.86  176.871 -119.8462 253.2220 
1 1 1  -22    6   58 o  845.908  150.083   21.757   3.8297   20.188   4.4772   26.036   7.3935  635.986  200.917  401.025  193.808 234.9612 279.1583 
1 1 1  -22    6   60 o  1659.65  197.618  135.219   10.068  138.569   12.267  128.305   17.622  770.341  316.630  ?   ?  0.000000 316.6298 
1 1 1  -22    7    1 o  324.516  118.879   1.3724   1.5790   0.1136   1.9914   3.5037   2.5912  293.693  124.609  470.572  153.267 -176.8794 197.5308 
1 1 1  -22    7    3 o  1314.49   86.382   27.481   3.5357   26.903   4.4033   28.531   5.9321  1294.38  109.674  1320.97  145.848 -26.58740 182.4830 
1 1 1  -22    7    5 o  602.687   94.431   5.8979   1.7235   4.2491   2.4753   7.4496   2.4013  506.847  147.230  673.276  118.215 -166.4292 188.8166 
1 1 1  -22    7    7 o  475.206  104.419   3.7316   1.5113   4.5058   2.1330   2.9511   2.1417  519.632  131.098  432.254  139.218 87.37820 191.2282 
1 1 1  -22    7    9 o  484.079  108.904   3.8811   1.6108   2.4891   2.3689   5.0782   2.1968  415.343  146.423  551.573  129.424 -136.2304 195.4240 
1 1 1  -22    7   11 o  368.017  117.399   2.1312   1.5258   3.3885   2.3014   1.1452   2.0380  458.672  143.934  338.223  132.418 120.4485 195.5798 
1 1 1  -22    7   13 o  730.739   92.325   8.6095   2.0654   10.300   3.1071   7.2709   2.7646  790.326  130.080  659.303  138.327 131.0234 189.8821 
1 1 1  -22    7   15 o  863.567   87.986   11.955   2.3459   12.880   3.6600   11.311   3.0563  882.925  136.811  831.115  120.992 51.81067 182.6376 
1 1 1  -22    7   17 o  678.452  109.494   7.5463   2.2469   11.513   4.1391   5.8889   2.6754  822.791  166.374  590.035  145.681 232.7560 221.1409 
1 1 1  -22    7   19 o  1562.86   87.272   38.971   4.2538   41.961   7.6463   37.631   5.1190  1590.56  155.518  1528.23  107.663 62.32813 189.1484 
1 1 1  -22    7   21 o  1109.50   93.724   19.802   3.2256   15.310   5.9097   21.708   3.8496  927.099  208.616  1157.31  107.457 -230.2094 234.6646 
1 1 1  -22    7   23 o  481.973  126.156   3.9254   1.9261   4.9565   3.1483   3.3086   2.4350  540.795  168.125  452.605  148.632 88.19025 224.4046 
1 1 1  -22    7   25 o  1764.22   79.774   49.612   4.4069   49.357   6.3868   49.844   6.0884  1737.86  118.068  1750.31  111.671 -12.45801 162.5135 
1 1 1  -22    7   27 o  1694.14   78.989   45.773   4.1902   49.130   6.0747   42.727   5.7874  1735.76  112.372  1616.68  115.076 119.0736 160.8414 
1 1 1  -22    7   29 o  661.444  112.857   7.2878   2.2536   7.8859   3.4775   6.8548   2.9589  669.793  166.522  628.424  152.025 41.36871 225.4799 
1 1 1  -22    7   31 f  1080.13  121.341   19.275   4.0329   23.228   5.8659   15.732   5.5537  1162.34  165.874  936.731  195.656 225.6127 256.5060 
1 1 1  -22    7   33 o  582.379  147.381   5.8747   2.6899   6.9873   3.4706   4.2011   4.2567  628.948  171.503  525.263  194.710 103.6841 259.4707 
1 1 1  -22    7   35 o  385.038  157.985   1.2141   3.0474  -1.0796   4.3389   3.4469   4.2809  386.174  173.191  499.127  192.881 -112.9535 259.2260 
1 1 1  -22    7   37 o  1537.60   95.055   38.406   4.5541   40.474   5.6280   34.484   7.7507  1565.21  115.652  1392.19  182.166 173.0200 215.7775 
1 1 1  -22    7   39 o  1802.36   96.270   53.008   5.4135   54.683   6.6005   49.565   9.4621  1813.53  116.856  1655.45  185.743 158.0803 219.4440 
1 1 1  -22    7   41 o  1550.08  122.127   40.507   5.8796   40.507   5.8796   0.0000   0.0000  1550.08  122.127  ?   ?  0.000000 122.1266 
1 1 1  -22    7   43 o  476.498  154.647   4.0294   2.6390   3.1156   3.1790   6.0546   4.7328  445.283  167.631  568.191  206.170 -122.9080 265.7184 
1 1 1  -22    7   45 o  3585.48  108.331  216.796   12.162  212.658   17.209  220.926   17.192  3405.55  161.378  3482.79  157.642 -77.24048 225.5966 
1 1 1  -22    7   47 o  2771.75   94.866  129.881   8.2335  128.155   11.623  131.620   11.665  2635.08  141.376  2675.14  139.749 -40.05396 198.7889 
1 1 1  -22    7   49 o  883.591  127.653   14.869   3.4294   16.171   4.0686   11.674   6.3737  892.039  151.051  602.448  234.641 289.5917 279.0569 
1 1 1  -22    7   51 o  1486.90  104.564   41.380   4.8373   41.773   5.7706   40.453   8.8720  1432.38  130.078  1059.72  267.377 372.6626 297.3398 
1 1 1  -22    7   53 o  2446.35  124.391  127.309   9.4971  126.759   11.564  128.448   16.647  2215.48  167.937  1281.44  384.347 934.0393 419.4347 
1 1 1  -22    7   55 o  1298.59  117.547   37.274   4.7279   32.482   5.6327   48.699   8.6977  1038.06  179.805  901.344  279.317 136.7144 332.1862 
1 1 1  -22    7   57 o  1157.69  126.613   33.594   4.5149   36.465   5.4548   27.348   8.0453  1071.89  168.045  429.572  206.243 642.3198 266.0366 
1 1 1  -22    7   59 o  491.075  175.197   12.228   3.4011   7.6862   3.9822   24.471   6.5384  319.740  151.099  395.843  188.931 -76.10272 241.9216 
1 1 1  -22    8    2 o  321.217  116.197   1.3843   1.5017   2.8434   1.8061  -1.8833   2.7029  418.962  126.809  286.364  131.617 132.5986 182.7666 
1 1 1  -22    8    4 o  627.159   95.260   6.3806   1.8119   5.6155   2.5485   7.1625   2.5765  578.704  141.761  657.021  129.839 -78.31702 192.2349 
1 1 1  -22    8    6 o  1395.04   73.956   30.813   3.2190   27.555   4.5280   34.143   4.5772  1309.55  111.486  1461.94  100.602 -152.3967 150.1659 
1 1 1  -22    8    8 o  532.727  102.204   4.6616   1.6429   3.9798   2.3154   5.3528   2.3314  490.856  142.341  565.853  133.703 -74.99719 195.2883 
1 1 1  -22    8   10 o  924.230   81.934   13.621   2.3466   15.261   3.3573   12.055   3.2812  971.342  112.462  858.193  125.843 113.1496 168.7720 
1 1 1  -22    8   12 o  1369.80   76.804   29.757   3.2810   29.884   4.7582   29.642   4.5302  1362.86  112.505  1358.93  107.338 3.932251 155.4957 
1 1 1  -22    8   14 o  770.050  107.098   9.6407   2.5124   8.6215   4.9223   9.9998   2.9217  706.963  208.271  779.925  123.771 -72.96155 242.2725 
1 1 1  -22    8   16 o  1625.16   89.714   42.100   4.5477   41.361   8.2309   42.425   5.4561  1575.63  169.498  1625.06  107.837 -49.43066 200.8936 
1 1 1  -22    8   18 f  1762.96   89.530   49.583   4.9261   48.805   8.7856   49.940   5.9492  1711.03  166.073  1761.74  108.371 -50.71204 198.3044 
1 1 1  -22    8   20 o  878.390   97.345   12.479   2.6324   17.445   4.7691   10.303   3.1569  1018.91  154.309  786.068  133.001 232.8474 203.7168 
1 1 1  -22    8   22 o  962.024   86.629   14.871   2.5816   12.818   3.7984   16.633   3.5194  872.982  143.976  1009.10  113.341 -136.1179 183.2355 
1 1 1  -22    8   24 o  1298.53   96.070   27.180   3.8785   27.752   4.8590   26.176   6.4386  1301.65  120.587  1237.30  170.736 64.34875 209.0262 
1 1 1  -22    8   26 o  1883.42   95.406   57.059   5.6082   55.259   6.8762   60.635   9.6923  1839.19  120.058  1892.73  165.195 -53.54272 204.2136 
1 1 1  -22    8   28 o  1677.72   91.875   45.222   4.8082   43.152   5.8743   49.425   8.3694  1626.45  116.108  1712.94  157.815 -86.49011 195.9246 
1 1 1  -22    8   30 o  713.860  155.035   8.7867   3.3662   6.2170   4.8693   11.139   4.6588  607.372  210.189  790.857  190.413 -183.4854 283.6137 
1 1 1  -22    8   32 o  546.446  145.727   5.1308   2.5392   4.4617   3.0501   6.6414   4.5832  515.783  166.143  618.266  203.956 -102.4829 263.0616 
1 1 1  -22    8   34 o  1305.07   93.919   27.516   3.8123   32.271   4.7058   18.438   6.5028  1407.23  107.612  1003.34  213.540 403.8873 239.1222 
1 1 1  -22    8   36 o  3161.16  113.714  163.420   11.256  162.317   13.766  165.645   19.552  3114.78  141.143  3032.21  207.165 82.57324 250.6761 
1 1 1  -22    8   38 o  1044.72  108.565   18.035   3.4996   15.942   4.3064   22.103   6.0052  960.707  147.899  1112.33  178.449 -151.6269 231.7712 
1 1 1  -22    8   40 o  1834.59   97.001   54.994   5.5525   55.958   6.8208   53.100   9.5600  1830.97  119.628  1718.05  180.401 112.9183 216.4612 
1 1 1  -22    8   42 o  1296.00  126.258   28.544   5.0586   28.544   5.0586   0.0000   0.0000  1296.00  126.258  ?   ?  0.000000 126.2578 
1 1 1  -22    8   44 o  1849.23   84.533   55.774   4.8948   56.074   6.9178   55.474   6.9268  1811.44  122.687  1800.55  123.608 10.88623 174.1580 
1 1 1  -22    8   46 o  1773.07   99.548   53.097   5.5045   50.861   6.7510   57.532   9.5074  1695.47  128.109  1712.63  179.980 -17.16541 220.9183 
1 1 1  -22    8   48 o  343.539  144.576   1.4017   2.6458   0.6399   3.1004   3.4430   5.0750  337.296  149.117  444.422  193.795 -107.1264 244.5244 
1 1 1  -22    8   50 o  1693.04  105.160   52.576   5.5473   51.825   6.7236   54.175   9.8175  1608.06  134.773  1378.78  235.876 229.2786 271.6640 
1 1 1  -22    8   52 o  1823.01  109.247   64.646   6.2074   64.533   7.5179   64.889   11.003  1713.91  141.346  1259.66  285.556 454.2444 318.6234 
1 1 1  -22    8   54 o  1149.16  119.401   28.349   4.2337   26.631   5.0372   32.482   7.8135  1000.16  166.710  737.833  265.301 262.3321 313.3319 
1 1 1  -22    8   56 o  342.507  148.471   4.0918   2.9427   6.1345   3.3880  -2.1844   5.9386  384.546  162.811  275.431  139.311 109.1158 214.2773 
1 1 1  -22    8   58 o  1152.94  132.284   35.931   4.6892   38.005   5.5869   30.986   8.6254  1024.79  180.713  392.841  193.894 631.9478 265.0510 
1 1 1  -22    9    1 o  719.649  105.901   8.4238   2.3150   6.4055   2.7914   12.870   4.1432  616.949  146.651  877.406  156.548 -260.4571 214.5081 
1 1 1  -22    9    3 o  317.969  128.456   0.7550   1.9776   0.7550   1.9776   0.0000   0.0000  317.969  128.456  ?   ?  0.000000 128.4556 
1 1 1  -22    9    5 o  970.641   91.980   15.076   2.7622   14.464   3.3014   16.503   5.0434  945.154  113.841  992.793  168.243 -47.63837 203.1396 
1 1 1  -22    9    7 o  378.426  138.515   1.9003   2.1430  -1.0985   2.7013   6.9922   3.5200  305.105  136.756  642.131  171.731 -337.0263 219.5306 
1 1 1  -22    9    9 o  1113.23   96.133   19.831   3.3181   20.872   4.0842   17.812   5.6908  1136.70  116.391  1025.76  183.936 110.9346 217.6676 
1 1 1  -22    9   11 o  452.513  138.882   3.3245   2.1562   3.5927   2.8092   2.9399   3.3640  479.259  159.753  467.975  173.167 11.28320 235.6014 
1 1 1  -22    9   13 o  1457.22  110.984   34.144   5.0260   34.945   7.1681   33.370   7.0492  1454.22  160.069  1420.12  161.391 34.09546 227.3084 
1 1 1  -22    9   15 o  475.575  153.368   3.6317   2.5986   4.0926   3.8640   3.2512   3.5111  523.816  186.754  482.937  177.219 40.87900 257.4564 
1 1 1  -22    9   17 o  976.256  130.123   15.668   3.8787   13.222   5.5739   17.965   5.4007  866.398  208.075  1028.80  173.845 -162.4017 271.1406 
1 1 1  -22    9   19 o  1293.10   94.803   26.822   3.8118   25.384   4.6703   29.690   6.5972  1248.42  120.990  1331.99  161.476 -83.57471 201.7752 
1 1 1  -22    9   21 o  1179.82   93.523   22.364   3.4267   22.202   4.1949   22.689   5.9407  1167.47  116.300  1156.53  169.036 10.94153 205.1801 
1 1 1  -22    9   23 o  307.014  128.167   0.4137   2.0536   1.6815   2.5739  -1.8072   3.4066  384.658  149.306  328.645  149.806 56.01242 211.5045 
1 1 1  -22    9   25 o  2334.65   97.917   87.379   7.1581   91.754   8.7764   78.685   12.371  2379.99  117.767  2145.06  186.027 234.9326 220.1703 
1 1 1  -22    9   27 f  1485.16   93.749   35.420   4.3373   35.460   5.3524   35.342   7.4023  1475.94  116.768  1445.77  166.559 30.17383 203.4129 
1 1 1  -22    9   29 o  2033.50  118.857   67.222   7.5351   69.179   10.522   65.161   10.796  2027.11  167.260  1958.05  178.031 69.05774 244.2763 
1 1 1  -22    9   31 o  2476.40   99.780   98.493   7.7371   95.983   9.4358  103.644   13.517  2424.75  124.701  2470.92  175.849 -46.17139 215.5766 
1 1 1  -22    9   33 o  816.015  117.670   11.022   2.9197   11.089   3.5477   10.883   5.1399  807.560  145.658  774.081  207.728 33.47931 253.7065 
1 1 1  -22    9   35 o  1860.87   96.092   55.920   5.5800   56.841   6.8421   54.092   9.6422  1861.93  117.967  1768.11  176.520 93.81812 212.3103 
1 1 1  -22    9   37 o  1413.15   95.731   32.411   4.2110   31.286   5.1206   34.761   7.4013  1374.50  120.185  1411.89  170.893 -37.39441 208.9232 
1 1 1  -22    9   39 o  430.934  154.015   2.8932   2.6295   6.1595   3.2685  -3.0989   4.4270  585.805  168.901  350.547  163.633 235.2582 235.1665 
1 1 1  -22    9   41 o  532.605  157.268   5.0562   2.8038   5.5605   3.4535   4.0811   4.8024  555.143  176.576  519.600  203.315 35.54297 269.2878 
1 1 1  -22    9   43 o  1347.94  101.855   30.125   4.2673   27.215   5.2023   36.109   7.4607  1255.52  134.417  1407.31  172.947 -151.7870 219.0397 
1 1 1  -22    9   45 o  1387.37  101.579   32.367   4.3821   28.185   5.3281   41.111   7.7038  1259.31  137.347  1479.34  169.361 -220.0350 218.0540 
1 1 1  -22    9   47 o  853.460  163.296   14.494   4.2049   15.313   6.0615   13.734   5.8381  781.674  231.352  739.681  228.777 41.99298 325.3651 
1 1 1  -22    9   49 o  2028.68  105.244   74.060   6.6624   72.870   8.1137   76.522   11.673  1934.10  134.818  1727.83  220.813 206.2632 258.7164 
1 1 1  -22    9   51 o  1069.20  125.868   22.957   4.1333   20.495   5.0501   27.953   7.1937  905.708  184.339  909.609  246.446 -3.901184 307.7607 
1 1 1  -22    9   53 o  877.990  142.679   17.580   3.7879   15.451   4.5176   22.620   6.9510  707.263  196.792  663.853  248.272 43.40961 316.8062 
1 1 1  -22    9   55 o  858.398  145.140   18.366   3.7621   18.077   4.4455   19.095   7.0614  743.546  190.181  485.744  219.122 257.8018 290.1434 
1 1 1  -22    9   57 o  932.164  197.323   32.322   5.5800   33.443   7.4607   30.898   8.4063  585.242  244.301  459.207  217.753 126.0348 327.2604 
1 1 1  -22    9   59 o  565.843  210.039   22.371   4.9567   25.671   6.5249   17.867   7.6219  424.383  198.286  315.400  159.377 108.9835 254.3977 
1 1 1  -22   10    2 o  2234.69   94.090   79.326   6.5838   75.555   8.0393   87.006   11.473  2168.65  118.842  2304.40  159.988 -135.7520 199.2982 
1 1 1  -22   10    4 o  455.043  158.995   3.0636   2.7894   3.0636   2.7894   0.0000   0.0000  455.043  158.995  ?   ?  0.000000 158.9946 
1 1 1  -22   10    6 o  1302.40   89.336   27.022   3.6212   28.971   4.4582   23.241   6.2081  1343.93  106.823  1179.36  173.277 164.5691 203.5586 
1 1 1  -22   10    8 o  1135.10   92.828   20.587   3.2705   22.384   4.0781   17.349   5.4747  1178.73  111.830  1013.58  179.047 165.1520 211.1018 
1 1 1  -22   10   10 o  872.941  123.979   12.461   3.2936   8.4211   4.4734   17.243   4.8672  700.151  196.189  1017.94  157.808 -317.7902 251.7812 
1 1 1  -22   10   12 o  788.351  138.941   10.324   3.3045   9.5376   4.6440   11.130   4.7030  742.469  196.636  803.389  189.945 -60.92017 273.3954 
1 1 1  -22   10   14 o  565.713  161.606   5.3905   3.0051   7.0704   4.1619   3.5604   4.3438  644.115  191.946  518.741  195.801 125.3735 274.1922 
1 1 1  -22   10   16 o  1376.58   89.975   30.254   3.8570   33.208   4.7101   24.241   6.7197  1437.45  105.379  1193.89  185.793 243.5682 213.5975 
1 1 1  -22   10   18 o  901.500  104.265   13.166   2.8889   13.989   3.5779   11.625   4.8966  922.354  127.276  815.944  194.419 106.4095 232.3742 
1 1 1  -22   10   20 o  745.782  120.584   9.1832   2.7198   11.387   3.3938   5.2273   4.5472  827.158  135.743  576.023  202.889 251.1349 244.1110 
1 1 1  -22   10   22 o  1321.69   97.244   28.059   3.9962   26.782   4.8929   30.617   6.9257  1281.26  123.487  1348.99  167.570 -67.73267 208.1560 
1 1 1  -22   10   24 o  911.975  107.280   13.522   3.0049   13.756   3.5968   12.983   5.4680  912.446  129.525  855.503  206.480 56.94293 243.7429 
1 1 1  -22   10   26 o  2139.13   96.408   73.118   6.4575   71.833   7.9495   75.611   11.072  2104.86  121.125  2126.97  167.608 -22.10376 206.7943 
1 1 1  -22   10   28 o  651.367  134.658   7.1432   2.6557   7.1920   3.3707   7.0633   4.3126  646.059  165.792  639.700  196.425 6.359741 257.0404 
1 1 1  -22   10   30 o  5021.76  154.909  417.117   24.359  426.744   29.828  397.846   42.204  5012.14  190.059  4587.88  295.348 424.2568 351.2163 
1 1 1  -22   10   32 o  1841.02   95.141   54.423   5.4658   60.084   6.6788   42.943   9.5111  1925.95  111.222  1571.14  197.709 354.8157 226.8460 
1 1 1  -22   10   34 o  3104.91  111.752  156.314   10.865  156.219   13.285  156.504   18.880  3076.41  137.910  2986.17  203.128 90.24072 245.5197 
1 1 1  -22   10   36 o  1455.27   95.384   34.254   4.3224   37.545   5.3660   28.172   7.2945  1513.64  114.054  1260.85  190.720 252.7856 222.2219 
1 1 1  -22   10   38 o  881.032  126.041   13.050   3.3780   11.812   4.0678   15.801   6.0634  818.628  164.402  917.310  214.867 -98.68256 270.5473 
1 1 1  -22   10   40 o  1653.55   95.327   44.479   4.9148   42.090   5.9848   49.430   8.6133  1590.24  121.101  1682.20  165.671 -91.96277 205.2129 
1 1 1  -22   10   42 o  542.131  152.312   5.2644   2.6925   9.4040   3.3155  -2.7536   4.6143  727.094  150.582  360.775  167.955 366.3186 225.5743 
1 1 1  -22   10   44 o  1096.09  110.078   20.325   3.7270   18.525   4.6025   23.754   6.3520  1015.88  149.128  1112.03  189.197 -96.14764 240.9038 
1 1 1  -22   10   46 o  1428.82  103.820   34.988   4.6131   37.014   5.6478   30.927   7.9960  1440.38  126.506  1174.91  225.548 265.4692 258.6037 
1 1 1  -22   10   48 o  1622.91  103.895   46.540   5.2519   46.516   6.4222   46.588   9.1253  1569.46  131.905  1392.63  216.281 176.8344 253.3306 
1 1 1  -22   10   50 o  1994.52  108.032   73.593   6.7218   70.240   8.2044   80.440   11.723  1845.81  143.069  1710.43  224.297 135.3843 266.0414 
1 1 1  -22   10   52 o  3189.57  147.008  227.401   14.682  212.899   17.988  256.345   25.413  2649.35  218.791  1792.20  452.711 857.1515 502.8092 
1 1 1  -22   10   54 o  1698.10  161.095   74.241   8.4632   72.024   12.005   76.430   11.933  987.214  330.264  1104.41  323.964 -117.1982 462.6309 
1 1 1  -22   10   56 o  1439.62  171.259   61.904   7.5685   59.898   10.473   64.097   10.950  748.563  297.931  744.127  301.689 4.435913 424.0042 
1 1 1  -22   10   58 o  1552.33  223.958  111.161   10.571  105.409   14.636  117.434   15.284  505.394  250.019  521.170  257.393 -15.77548 358.8325 
1 1 1  -22   11    1 o  344.863  128.867   1.4737   1.8720   2.1089   2.2047  -0.1672   3.5436  390.907  140.886  378.173  163.429 12.73355 215.7729 
1 1 1  -22   11    3 o  622.944  109.010   6.3617   2.0489   6.6368   2.9709   6.1122   2.8294  627.405  152.672  602.475  150.439 24.93024 214.3377 
1 1 1  -22   11    5 o  645.610  124.164   6.8976   2.4189   7.9820   3.0370   5.0161   4.0004  690.394  145.094  563.818  190.637 126.5756 239.5721 
1 1 1  -22   11    7 o  905.916   99.990   13.207   2.7891   11.803   4.9769   13.850   3.3676  827.750  195.193  922.845  119.335 -95.09454 228.7816 
1 1 1  -22   11    9 o  1126.50   92.513   20.278   3.2345   24.545   5.7431   18.295   3.9142  1220.10  153.740  1062.27  119.769 157.8380 194.8856 
1 1 1  -22   11   11 o  914.759  101.710   13.485   2.8640   3.5713   5.1346   17.962   3.4506  543.810  210.935  1056.19  105.759 -512.3796 235.9628 
1 1 1  -22   11   13 o  802.050   87.721   10.323   2.1671   12.156   3.0885   8.5450   3.0416  863.547  117.254  715.078  140.850 148.4684 183.2685 
1 1 1  -22   11   15 f  658.287  103.287   7.0717   2.0589   6.2109   2.9343   7.9064   2.8897  605.534  154.310  687.316  139.047 -81.78180 207.7157 
1 1 1  -22   11   17 o  424.500  127.615   2.9425   1.8337   1.5160   2.8138   3.9956   2.4176  391.765  154.901  491.300  146.268 -99.53491 213.0461 
1 1 1  -22   11   19 o  534.780  143.886   4.8150   2.4623   4.7310   2.9570   5.0051   4.4466  533.342  162.443  568.763  200.599 -35.42072 258.1235 
1 1 1  -22   11   21 o  1897.99   92.467   57.341   5.4954   58.347   6.7242   55.318   9.5359  1903.64  113.320  1823.06  168.970 80.57202 203.4507 
1 1 1  -22   11   23 o  470.258  147.665   3.5987   2.4219   1.4869   2.9381   8.0760   4.2780  396.068  157.751  683.233  191.999 -287.1653 248.4938 
1 1 1  -22   11   25 o  1403.47   92.647   31.486   4.0485   34.526   5.0234   25.852   6.8388  1463.77  110.412  1234.80  182.362 228.9733 213.1818 
1 1 1  -22   11   27 o  263.811  120.433  -1.3475   2.2120  -1.1190   2.6631  -1.8560   3.9727  300.804  135.234  360.168  163.241 -59.36493 211.9809 
1 1 1  -22   11   29 o  359.366  141.343   1.3129   2.3313   0.6503   2.8246   2.7285   4.1289  361.223  150.513  482.928  188.642 -121.7053 241.3293 
1 1 1  -22   11   31 o  1840.08   80.695   53.812   4.6494   54.922   6.6678   52.761   6.4866  1840.99  116.266  1804.72  115.389 36.26440 163.8059 
1 1 1  -22   11   33 o  761.216  109.508   9.5249   2.5351   10.041   3.4951   8.9523   3.6825  767.072  150.889  717.731  166.997 49.34113 225.0678 
1 1 1  -22   11   35 o  3786.45  124.767  234.554   14.793  245.939   18.166  212.148   25.485  3838.88  151.127  3402.94  240.728 435.9387 284.2346 
1 1 1  -22   11   37 o  2364.48  126.471   92.232   9.3297   93.184   13.131   91.261   13.258  2314.14  182.697  2284.72  186.967 29.42554 261.4094 
1 1 1  -22   11   39 o  1211.83  103.264   24.013   3.8810   24.401   4.6305   23.096   7.1152  1210.60  123.900  1118.24  210.941 92.35669 244.6373 
1 1 1  -22   11   41 o  718.888  147.950   9.0823   3.2193   8.6563   3.8133   10.139   6.0066  687.662  176.274  716.663  233.348 -29.00128 292.4452 
1 1 1  -22   11   43 o  1565.90  102.845   40.697   5.0147   45.278   6.0687   30.835   8.9038  1636.29  119.266  1218.89  241.827 417.4066 269.6383 
1 1 1  -22   11   45 o  3371.26  122.561  197.818   12.938  184.016   15.792  225.990   22.563  3136.20  161.358  3243.91  223.491 -107.7090 275.6532 
1 1 1  -22   11   47 o  887.729  139.059   14.922   3.7385   17.217   4.5050   9.8481   6.6999  928.849  160.712  591.831  237.368 337.0176 286.6561 
1 1 1  -22   11   49 f  879.914  137.667   15.318   3.6687   16.283   4.4009   13.120   6.6423  864.397  168.651  616.091  239.651 248.3056 293.0456 
1 1 1  -22   11   51 o  2523.94  162.839  145.349   12.801  135.373   18.061  155.420   18.145  1671.01  356.068  2009.50  297.355 -338.4836 463.9009 
1 1 1  -22   11   53 o  2213.59  169.931  124.797   11.689  114.804   16.450  134.988   16.612  1172.43  386.378  1543.29  351.601 -370.8510 522.4091 
1 1 1  -22   11   55 o  2146.67  124.026  102.604   8.3012   91.115   10.094  126.610   14.591  1711.58  191.628  1428.81  332.398 282.7686 383.6791 
1 1 1  -22   11   57 o  1219.94  135.175   38.021   5.0768   33.721   6.1770   46.971   8.9121  871.965  224.800  665.975  271.356 205.9901 352.3766 
1 1 1  -22   12    2 o  1411.52   80.207   31.589   3.5304   28.902   5.0163   34.225   4.9694  1339.18  120.930  1461.78  109.362 -122.6003 163.0465 
1 1 1  -22   12    4 o  802.028  113.597   10.456   2.7730   10.281   4.8547   10.541   3.3785  773.303  199.252  798.085  140.314 -24.78174 243.6993 
1 1 1  -22   12    6 o  1127.38   94.576   20.305   3.3078   22.352   5.8475   19.341   4.0112  1160.79  165.572  1093.74  119.047 67.04541 203.9268 
1 1 1  -22   12    8 f  450.912  140.887   3.2688   2.2077  -0.0000   3.9553   4.7481   2.6608  403.474  173.511  534.077  151.891 -130.6031 230.6015 
1 1 1  -22   12   10 o  572.087  116.328   5.4130   2.0129   3.4546   2.8175   7.4544   2.8766  473.712  159.990  667.677  141.964 -193.9644 213.8937 
1 1 1  -22   12   12 o  362.028  127.631   1.8660   1.7998  -0.1859   2.6833   3.5442   2.4267  329.091  142.216  469.237  147.883 -140.1460 205.1703 
1 1 1  -22   12   14 o  802.727   91.304   10.352   2.2541   9.8737   3.2838   10.778   3.0998  770.602  141.298  810.362  126.277 -39.76007 189.5019 
1 1 1  -22   12   16 o  993.536   82.810   15.736   2.5528   22.436   3.7172   9.7545   3.5119  1182.90  101.335  762.396  152.437 420.5046 183.0458 
1 1 1  -22   12   18 o  2246.82   82.024   79.932   5.7707   81.581   8.1834   78.301   8.1387  2254.35  116.326  2207.59  118.168 46.75952 165.8179 
1 1 1  -22   12   20 o  2957.61  107.341  139.628   9.9408  140.701   12.158  137.466   17.266  2954.87  131.406  2868.32  193.365 86.54053 233.7901 
1 1 1  -22   12   22 o  305.927  122.299   0.7825   1.7722  -2.4045   2.6293   3.4359   2.3990  269.814  126.000  462.724  147.169 -192.9099 193.7384 
1 1 1  -22   12   24 o  1387.23   80.056   30.562   3.4627   28.339   4.9185   32.746   4.8757  1323.97  119.943  1427.37  109.936 -103.4017 162.7035 
1 1 1  -22   12   26 o  2035.97   81.632   65.678   5.2041   70.781   7.4158   60.726   7.3050  2099.27  113.236  1940.61  120.816 158.6638 165.5862 
1 1 1  -22   12   28 o  1283.82   93.455   26.370   3.7311   29.241   6.4916   24.954   4.5594  1326.44  159.494  1240.50  118.833 85.93555 198.8963 
1 1 1  -22   12   30 o  3064.86  134.157  152.652   12.875  161.350   18.424  144.352   17.999  3088.40  191.463  2912.58  198.538 175.8181 275.8176 
1 1 1  -22   12   32 o  1986.36   95.340   63.090   5.9299   60.612   7.2708   68.012   10.248  1931.43  120.830  2016.46  163.720 -85.03101 203.4803 
1 1 1  -22   12   34 o  829.071  120.274   11.368   3.0312   10.141   3.7838   13.564   5.0645  766.397  162.703  876.655  189.983 -110.2580 250.1315 
1 1 1  -22   12   36 o  3203.68  114.418  166.712   11.478  166.177   14.079  167.771   19.820  3167.85  141.931  3086.43  206.276 81.42090 250.3880 
1 1 1  -22   12   38 o  344.453  151.364  -0.3846   3.1492   5.3562   4.4513  -6.1376   4.4561  567.300  200.639  312.706  150.959 254.5936 251.0872 
1 1 1  -22   12   40 o  720.432  140.738   8.9701   3.0610   9.9772   3.6872   6.7371   5.4903  750.587  161.661  616.545  222.309 134.0420 274.8740 
1 1 1  -22   12   42 o  1061.83  113.825   18.917   3.7255   22.881   4.4813   10.048   6.7034  1160.86  125.271  697.766  246.279 463.0902 276.3078 
1 1 1  -22   12   44 o  1127.20  117.907   21.891   4.1000   17.479   4.9414   31.641   7.3455  960.967  170.461  1272.81  190.134 -311.8466 255.3583 
1 1 1  -22   12   46 o  1078.69  119.426   20.716   3.9661   21.174   4.6923   19.569   7.4215  1062.12  144.868  857.069  256.527 205.0471 294.6066 
1 1 1  -22   12   48 o  265.457  130.520  -5.2346   3.7840  -4.7614   5.1260  -5.8012   5.6094  318.984  155.805  323.372  158.979 -4.387482 222.5975 
1 1 1  -22   12   50 o  379.272  170.075   2.2112   4.1829   4.1698   5.6491  -0.1661   6.2236  426.860  193.931  374.611  180.244 52.24933 264.7585 
1 1 1  -22   12   52 o  1487.04  117.456   43.765   5.4246   39.869   6.5493   52.278   9.6810  1299.29  164.675  1210.62  262.915 88.67871 310.2294 
1 1 1  -22   12   54 o  430.064  171.389   5.9999   3.4698   2.6546   4.0391   15.420   6.7782  341.947  158.488  503.191  221.568 -161.2446 272.4164 
1 1 1  -22   12   56 o  1136.22  143.771   32.603   5.0006   25.603   5.8775   50.954   9.5162  754.034  228.877  782.342  290.904 -28.30786 370.1485 
1 1 1  -22   13    1 o  468.379  148.120   3.4940   2.4328  -0.6325   4.3665   5.3516   2.9297  410.260  179.305  567.245  158.706 -156.9844 239.4532 
1 1 1  -22   13    3 o  519.988  145.432   4.4764   2.4606   1.0107   4.3537   6.1029   2.9826  449.309  187.010  603.627  156.497 -154.3178 243.8529 
1 1 1  -22   13    5 f  636.175  126.821   6.6886   2.4376   6.4375   4.5786   6.7879   2.8797  629.305  203.646  637.118  147.293 -7.812988 251.3306 
1 1 1  -22   13    7 o  1138.22   94.128   20.662   3.3247   16.344   5.5232   23.115   4.1635  984.717  185.943  1199.95  112.108 -215.2307 217.1246 
1 1 1  -22   13    9 o  2117.13   81.939   70.823   5.4319   67.923   7.6853   73.719   7.6786  2059.39  119.697  2147.71  114.593 -88.32495 165.7073 
1 1 1  -22   13   11 o  510.455  127.302   4.3326   2.0278   4.5575   2.9437   4.1294   2.7975  528.448  162.287  505.867  158.680 22.58127 226.9720 
1 1 1  -22   13   13 o  652.065  114.256   6.9674   2.2478   6.7864   3.1948   7.1447   3.1632  634.846  160.599  651.725  156.891 -16.87903 224.5148 
1 1 1  -22   13   15 o  828.492   94.802   11.021   2.4151   14.009   3.4164   8.0357   3.4145  929.115  120.250  690.591  160.891 238.5243 200.8631 
1 1 1  -22   13   17 o  1083.49   84.642   18.679   2.8488   17.002   4.0455   20.328   4.0125  1022.36  129.258  1123.09  115.758 -100.7276 173.5157 
1 1 1  -22   13   19 o  1415.58   79.833   31.761   3.5242   34.307   5.1014   29.436   4.8742  1462.93  112.221  1353.31  116.151 109.6152 161.5071 
1 1 1  -22   13   21 o  764.183   98.835   9.4222   2.3096   8.1133   3.3190   10.651   3.2158  694.446  156.396  804.717  132.217 -110.2701 204.7951 
1 1 1  -22   13   23 o  362.942  136.970   1.5851   2.1254   1.4899   2.8073   1.7129   3.2533  392.078  154.819  420.387  166.451 -28.30896 227.3209 
1 1 1  -22   13   25 o  777.438  117.505   9.8753   2.7712   6.7236   3.5802   14.586   4.3771  629.953  175.157  936.302  154.701 -306.3483 233.6932 
1 1 1  -22   13   27 o  4020.28  162.099  264.652   20.406  240.547   28.971  288.383   28.746  3715.82  250.460  4110.75  224.174 -394.9207 336.1311 
1 1 1  -22   13   29 o  1876.56   95.431   56.233   5.5890   55.563   6.9298   57.481   9.4536  1854.87  119.956  1862.71  163.745 -7.846924 202.9824 
1 1 1  -22   13   31 o  3148.04  111.799  159.257   11.020  164.524   13.591  149.148   18.830  3179.64  136.511  2952.90  204.913 226.7358 246.2207 
1 1 1  -22   13   33 o  2027.56   98.260   65.808   6.2383   69.320   7.7124   59.162   10.610  2066.94  119.676  1864.93  184.087 202.0034 219.5686 
1 1 1  -22   13   35 o  1308.94  106.164   27.759   4.3138   25.735   5.3474   31.531   7.2996  1244.94  139.580  1358.10  175.777 -113.1606 224.4553 
1 1 1  -22   13   37 o  2432.71  102.407   95.421   7.8008   88.932   9.5979  108.049   13.389  2322.76  132.513  2520.25  170.675 -197.4902 216.0777 
1 1 1  -22   13   39 o  918.633  153.117   14.546   4.2493   12.294   5.9824   16.838   6.0368  803.374  227.502  955.983  207.617 -152.6096 307.9967 
1 1 1  -22   13   41 o  651.760  154.179   7.5865   3.0973   8.0741   3.7598   6.5567   5.4635  661.867  177.684  602.256  221.058 59.61182 283.6161 
1 1 1  -22   13   43 o  1438.64  103.506   34.615   4.6315   32.956   5.7554   37.663   7.8018  1372.96  135.649  1415.23  180.139 -42.26416 225.5011 
1 1 1  -22   13   45 o  2281.65  134.658   93.586   9.5779   86.112   13.570  101.006   13.520  1984.50  222.201  2216.14  196.883 -231.6444 296.8771 
1 1 1  -22   13   47 o  637.947  198.505   9.5285   4.3878   1.5954   6.2201   17.387   6.1907  432.955  199.241  826.404  230.521 -393.4497 304.6911 
1 1 1  -22   13   49 o  545.238  174.356   6.9230   3.3638   4.2503   4.0093   13.277   6.1820  439.266  180.837  644.784  235.374 -205.5184 296.8209 
1 1 1  -22   13   51 o  1786.06  113.897   60.751   6.3366   56.007   7.5663   71.895   11.596  1608.88  151.990  1503.57  255.435 105.3027 297.2344 
1 1 1  -22   13   53 o  1705.90  117.792   58.648   6.2534   52.045   7.4206   74.826   11.616  1462.71  164.895  1368.97  280.408 93.73621 325.2976 
1 1 1  -22   13   55 o  2522.09  131.111  144.154   10.318  123.690   12.432  189.469   18.500  1936.48  208.301  1702.15  358.426 234.3373 414.5580 
1 1 1  -22   14    2 o  766.914  122.824   9.5819   2.8499   10.639   5.0473   9.0873   3.4531  791.891  202.697  739.309  154.158 52.58154 254.6580 
1 1 1  -22   14    4 o  1116.76   86.411   19.803   2.9982   17.422   4.1828   22.319   4.2997  1037.08  131.782  1179.26  118.027 -142.1727 176.9097 
1 1 1  -22   14    6 o  939.708   91.052   14.082   2.6455   13.053   3.7939   15.056   3.6910  893.116  140.286  964.500  125.165 -71.38391 188.0068 
1 1 1  -22   14    8 o  548.132  123.859   4.9719   2.0758   4.7705   2.9000   5.1836   2.9726  539.638  160.092  560.204  160.945 -20.56628 227.0078 
1 1 1  -22   14   10 o  1011.83   88.733   16.297   2.7829   17.544   3.9091   15.016   3.9627  1042.76  122.030  960.228  135.566 82.53284 182.3995 
1 1 1  -22   14   12 o  931.536   91.049   13.847   2.6218   16.770   3.7743   11.121   3.6448  1019.44  120.571  820.701  147.240 198.7426 190.3082 
1 1 1  -22   14   14 o  793.049   99.375   10.114   2.4135   11.666   3.4402   8.6092   3.3869  844.242  134.662  718.112  155.156 126.1293 205.4438 
1 1 1  -22   14   16 o  272.442  120.851  -0.6778   2.0532  -3.0381   2.5496   3.6776   3.4634  252.689  119.852  502.591  177.062 -249.9021 213.8118 
1 1 1  -22   14   18 o  2719.44  102.904  117.338   8.7625  120.266   10.776  111.622   15.055  2744.36  125.397  2608.06  185.565 136.2964 223.9617 
1 1 1  -22   14   20 o  1669.48   94.765   44.286   4.9335   41.425   6.0839   49.780   8.4308  1606.75  121.831  1749.42  155.530 -142.6655 197.5663 
1 1 1  -22   14   22 o  1219.85  117.377   23.943   4.4280   26.151   6.2966   21.782   6.2282  1260.20  163.418  1142.37  180.081 117.8330 243.1763 
1 1 1  -22   14   24 o  1146.89   99.583   21.042   3.5407   20.528   4.5062   21.872   5.7243  1124.19  130.437  1149.54  163.650 -25.35193 209.2724 
1 1 1  -22   14   26 o  704.205  149.752   8.3214   3.2005   7.0555   4.7077   9.4093   4.3641  650.279  206.087  740.835  187.859 -90.55597 278.8601 
1 1 1  -22   14   28 o  1843.10   94.259   54.139   5.4217   53.530   6.6669   55.326   9.3163  1823.90  117.359  1831.15  164.226 -7.246460 201.8499 
1 1 1  -22   14   30 o  1694.77  120.679   46.422   6.3623   46.422   6.3623   0.0000   0.0000  1694.77  120.679  ?   ?  0.000000 120.6795 
1 1 1  -22   14   32 o  3038.13  111.206  148.213   10.579  141.925   12.996  160.566   18.215  2950.97  140.641  3085.25  189.468 -134.2744 235.9622 
1 1 1  -22   14   34 o  952.752  126.764   14.954   3.6879   15.242   4.6148   14.445   6.1349  948.312  161.179  896.483  220.156 51.82922 272.8504 
1 1 1  -22   14   36 o  1990.24   98.737   63.561   6.1532   67.670   7.6845   56.219   10.272  2038.04  120.957  1811.58  183.625 226.4534 219.8834 
1 1 1  -22   14   38 o  3138.86  114.200  160.443   11.224  154.393   13.788  172.328   19.325  3043.80  144.670  3129.76  198.214 -85.96460 245.3943 
1 1 1  -22   14   40 o  721.638  176.083   9.4734   3.9436   11.276   5.7223   7.8425   5.4425  760.760  224.683  647.384  222.320 113.3752 316.0837 
1 1 1  -22   14   42 o  2936.49  141.654  149.655   13.025  152.209   18.404  147.092   18.436  2794.38  211.912  2733.66  217.170 60.72021 303.4295 
1 1 1  -22   14   44 o  275.299  133.623  -4.7549   3.6097  -1.7749   5.2019  -7.5226   5.0131  383.169  178.362  306.698  150.682 76.47058 233.4913 
1 1 1  -22   14   46 o  1502.87  109.502   39.403   5.1176   41.373   6.1522   34.977   9.2203  1506.50  131.745  1175.08  257.685 331.4132 289.4102 
1 1 1  -22   14   48 o  1409.33  112.593   35.779   4.9272   36.778   5.9882   33.685   8.6699  1380.70  140.466  1102.58  256.032 278.1187 292.0327 
1 1 1  -22   14   50 o  803.415  161.681   14.015   3.9266   11.703   4.7844   18.784   6.8722  649.832  207.954  739.438  249.865 -89.60614 325.0800 
1 1 1  -22   14   52 o  2379.96  119.684  111.441   8.8907  102.940   10.854  128.773   15.498  2098.01  166.597  1944.95  261.072 153.0636 309.6983 
1 1 1  -22   14   54 o  660.923  186.715   12.854   4.0346   7.6042   4.7317   26.840   7.7228  442.051  189.930  693.914  261.264 -251.8631 323.0052 
1 1 1  -22   15    1 o  1407.31   98.151   31.442   4.2981   24.791   7.3986   34.830   5.2805  1220.87  200.499  1477.88  115.015 -257.0111 231.1454 
1 1 1  -22   15    3 o  1305.83   84.706   26.993   3.4448   28.149   4.8079   25.772   4.9381  1327.20  116.885  1267.34  126.112 59.86243 171.9486 
1 1 1  -22   15    5 f  401.193  147.689   2.0654   2.4412   3.3679   2.9514  -0.7560   4.3440  476.921  163.721  408.414  178.661 68.50708 242.3311 
1 1 1  -22   15    7 o  578.065  147.530   5.5467   2.6793   4.3318   3.2362   8.1945   4.7774  526.032  171.279  701.270  204.782 -175.2385 266.9686 
1 1 1  -22   15    9 o  1151.69   98.952   21.121   3.5338   18.817   4.2632   26.181   6.3173  1080.08  128.581  1266.69  163.060 -186.6072 207.6572 
1 1 1  -22   15   11 o  748.818  127.024   9.1594   2.8719   10.623   3.4300   5.7277   5.2528  804.353  141.344  620.713  218.111 183.6400 259.9043 
1 1 1  -22   15   13 o  1008.39  106.453   16.282   3.3105   16.858   4.1201   15.233   5.5610  1020.33  132.055  952.220  193.113 68.10846 233.9473 
1 1 1  -22   15   15 o  888.196  112.902   12.713   3.0690   11.727   3.7086   14.856   5.4666  844.674  145.469  939.890  192.230 -95.21533 241.0669 
1 1 1  -22   15   17 o  2424.62   99.786   93.067   7.5758   92.782   9.2953   93.631   13.074  2410.84  123.550  2398.80  175.278 12.03906 214.4455 
1 1 1  -22   15   19 o  1071.85  106.197   18.395   3.5173   19.557   4.3176   16.104   6.0645  1100.23  127.702  973.911  205.336 126.3200 241.8069 
1 1 1  -22   15   21 o  1268.01  100.163   25.639   3.9445   24.431   4.8482   28.004   6.7843  1230.58  127.680  1304.41  170.155 -73.82996 212.7319 
1 1 1  -22   15   23 o  1335.17   96.215   28.395   3.9955   28.441   4.9341   28.309   6.8099  1330.06  119.756  1310.03  170.023 20.03052 207.9649 
1 1 1  -22   15   25 o  3108.29  133.143  155.128   12.959  177.019   18.560  134.304   18.101  3281.34  181.338  2838.04  205.074 443.2996 273.7492 
1 1 1  -22   15   27 o  1000.53  108.495   16.137   3.3446   15.438   4.1605   17.413   5.6234  968.854  141.299  1014.80  183.736 -45.94904 231.7850 
1 1 1  -22   15   29 o  308.601  134.839  -0.4065   2.4679   2.1403   2.9090  -6.9467   4.6616  420.482  159.865  319.138  154.148 101.3431 222.0777 
1 1 1  -22   15   31 o  829.223  124.943   11.297   3.1435   9.7661   3.8505   14.355   5.4430  757.234  166.892  910.612  196.646 -153.3783 257.9202 
1 1 1  -22   15   33 o  2553.26  102.887  104.238   8.2257  102.846   10.040  107.079   14.346  2519.11  127.701  2526.67  182.553 -7.559326 222.7848 
1 1 1  -22   15   35 o  1350.65  106.409   29.475   4.4638   23.472   5.4673   41.477   7.7308  1185.75  150.654  1575.73  158.852 -389.9816 218.9301 
1 1 1  -22   15   37 o  1402.38  105.791   31.924   4.6113   34.698   5.6515   26.397   7.9762  1452.10  125.528  1207.28  219.063 244.8154 252.4794 
1 1 1  -22   15   39 o  1696.62  189.521   51.412   9.8963   51.412   9.8963   0.0000   0.0000  1696.62  189.521  ?   ?  0.000000 189.5208 
1 1 1  -22   15   41 o  1252.55  140.181   27.175   5.4037   22.523   7.9772   31.120   7.3457  1036.54  248.914  1296.58  186.284 -260.0374 310.9019 
1 1 1  -22   15   43 o  1282.92  113.081   28.052   4.4961   27.731   5.4560   28.733   7.9369  1247.00  142.278  1172.26  224.402 74.73926 265.7054 
1 1 1  -22   15   45 o  1262.13  115.397   27.792   4.5101   29.607   5.4243   23.729   8.1177  1275.81  137.979  968.209  261.576 307.6039 295.7367 
1 1 1  -22   15   47 o  1410.08  110.410   35.108   4.8360   35.237   5.8096   34.815   8.7267  1372.16  137.049  1176.53  244.849 195.6355 280.5949 
1 1 1  -22   15   49 o  1151.03  124.774   24.905   4.4251   22.249   5.2804   31.170   8.1099  1017.89  171.786  1051.47  249.986 -33.57526 303.3205 
1 1 1  -22   15   51 o  1041.58  142.787   22.382   4.5343   16.360   5.3278   38.205   8.6360  762.584  214.255  1102.02  255.279 -339.4382 333.2751 
1 1 1  -22   15   53 o  480.944  184.247   7.0727   3.8825   6.1289   4.4759   9.9406   7.8024  437.905  186.340  450.745  212.549 -12.84018 282.6653 
1 1 1  -22   16    2 o  508.748  200.131   2.5641   4.6746   2.5641   4.6746   0.0000   0.0000  508.748  200.131  ?   ?  0.000000 200.1307 
1 1 1  -22   16    4 o  805.147  151.077   10.672   3.6689   10.672   3.6689   0.0000   0.0000  805.147  151.077  ?   ?  0.000000 151.0773 
1 1 1  -22   16    6 o  448.691  152.987   2.9805   2.5765   2.0405   3.0013   5.6141   5.0238  424.836  162.176  614.098  213.443 -189.2619 268.0649 
1 1 1  -22   16    8 o  901.726  115.554   13.085   3.1876   11.803   3.7854   16.211   5.9103  848.365  147.874  984.016  198.663 -135.6519 247.6560 
1 1 1  -22   16   10 o  1333.28   96.334   28.210   3.9947   26.542   4.8058   31.939   7.1854  1288.06  120.557  1401.34  167.046 -113.2823 206.0058 
1 1 1  -22   16   12 o  267.155  122.912  -1.7561   2.3653  -1.3394   2.8469  -2.6849   4.2501  310.513  139.690  364.455  166.593 -53.94141 217.4090 
1 1 1  -22   16   14 o  781.743  125.956   9.9490   2.9784   7.5948   3.6777   14.436   5.0773  674.096  173.283  930.916  180.697 -256.8204 250.3571 
1 1 1  -22   16   16 o  1164.48  102.915   21.620   3.7139   22.883   4.5008   18.926   6.5745  1194.01  122.102  1060.87  205.340 133.1416 238.9003 
1 1 1  -22   16   18 o  1434.83  119.699   32.942   5.3288   32.942   5.3288   0.0000   0.0000  1434.83  119.699  ?   ?  0.000000 119.6989 
1 1 1  -22   16   20 o  825.752  122.795   11.082   3.0784   10.517   3.6881   12.379   5.5896  796.468  153.448  851.821  210.723 -55.35333 260.6732 
1 1 1  -22   16   22 o  2321.30   99.822   85.381   7.2556   81.511   8.8830   93.139   12.576  2256.73  126.214  2392.67  168.950 -135.9470 210.8887 
1 1 1  -22   16   24 o  531.820  175.695   4.4416   3.4006   3.4940   4.5380   5.6553   5.1356  527.824  199.913  612.201  215.618 -84.37659 294.0346 
1 1 1  -22   16   26 o  2346.30  100.726   87.409   7.4001   87.195   9.0608   87.837   12.824  2331.74  124.549  2311.81  178.546 19.93213 217.6948 
1 1 1  -22   16   28 o  514.976  162.729   4.2866   2.9369   4.8487   3.7316   3.3719   4.7605  553.243  184.108  528.855  203.669 24.38837 274.5485 
1 1 1  -22   16   30 f  3537.79  120.021  200.526   13.296  198.456   16.300  204.640   22.983  3498.12  148.809  3486.15  211.546 11.97852 258.6425 
1 1 1  -22   16   32 f  600.021  162.187   6.1047   3.1199   6.0060   3.7313   6.3341   5.6877  597.983  182.554  636.414  226.615 -38.43054 290.9984 
1 1 1  -22   16   34 o  2003.87  182.002   67.705   11.295   67.705   11.295   0.0000   0.0000  2003.87  182.002  ?   ?  0.000000 182.0019 
1 1 1  -22   16   36 o  1197.18  142.338   23.907   5.2312   25.424   7.3771   22.372   7.4192  1199.01  203.785  1112.38  220.795 86.63245 300.4643 
1 1 1  -22   16   38 o  1744.80  182.105   53.493   9.8025   53.493   9.8025   0.0000   0.0000  1744.80  182.105  ?   ?  0.000000 182.1048 
1 1 1  -22   16   40 o  1776.90  128.366   53.332   7.0941   53.782   9.8821   52.854   10.190  1717.24  186.794  1690.40  196.168 26.83984 270.8760 
1 1 1  -22   16   42 o  1446.69  110.724   35.252   4.9777   34.248   6.0451   37.366   8.7723  1397.11  140.069  1374.05  210.602 23.06396 252.9285 
1 1 1  -22   16   44 o  1131.38  124.454   22.446   4.3360   20.711   5.2653   26.102   7.6432  1044.94  166.510  1092.00  230.756 -47.05981 284.5596 
1 1 1  -22   16   46 o  675.998  172.762   9.3422   3.6706   9.5637   4.3486   8.7933   6.8453  659.163  196.155  588.664  238.576 70.49872 308.8614 
1 1 1  -22   16   48 o  316.860  146.608  -0.8786   3.4346   0.4462   4.0667  -4.1742   6.4140  364.158  165.095  364.779  177.300 -0.6208191 242.2635 
1 1 1  -22   16   50 o  1310.38  120.610   32.236   4.8932   28.020   5.8081   42.547   9.0830  1140.45  167.649  1239.40  242.731 -98.94983 294.9989 
1 1 1  -22   16   52 o  2843.03  129.588  162.089   11.536  154.302   14.054  178.172   20.198  2540.60  177.785  2078.37  320.679 462.2295 366.6639 
1 1 1  -22   17    1 o  771.272  168.168   9.8841   3.9468   9.4674   4.8543   10.697   6.7792  752.037  201.900  803.159  246.217 -51.12128 318.4128 
1 1 1  -22   17    3 o  780.505  136.008   9.9509   3.2031   8.8531   3.7311   13.027   6.2459  729.622  166.932  877.579  225.946 -147.9569 280.9235 
1 1 1  -22   17    5 o  553.980  166.357   4.9698   3.1173   4.9698   3.1173   0.0000   0.0000  553.980  166.357  ?   ?  0.000000 166.3570 
1 1 1  -22   17    7 o  306.720  134.164  -0.5112   2.4492  -1.2461   2.7393   2.4174   5.4686  306.103  137.423  534.050  214.359 -227.9465 254.6274 
1 1 1  -22   17    9 o  1168.45  128.389   21.922   4.6199   21.922   4.6199   0.0000   0.0000  1168.45  128.389  ?   ?  0.000000 128.3886 
1 1 1  -22   17   11 o  832.348  127.307   11.241   3.2125   12.270   3.7963   8.6436   6.0293  866.325  145.076  730.210  233.421 136.1149 274.8317 
1 1 1  -22   17   13 o  1082.81  111.454   18.750   3.7249   17.636   4.4690   21.286   6.7415  1043.30  140.361  1131.61  197.441 -88.30127 242.2481 
1 1 1  -22   17   15 o  728.947  142.996   8.7576   3.1473   7.8261   3.7760   10.877   5.6963  684.401  175.395  802.411  220.097 -118.0092 281.4354 
1 1 1  -22   17   17 o  1538.99  121.497   37.840   5.8073   37.840   5.8073   0.0000   0.0000  1538.99  121.497  ?   ?  0.000000 121.4968 
1 1 1  -22   17   19 o  1193.63  104.975   22.727   3.8836   20.851   4.6704   26.932   6.9913  1136.20  133.844  1279.33  179.464 -143.1327 223.8782 
1 1 1  -22   17   21 o  985.504  121.710   15.673   3.6760   14.567   4.4564   18.027   6.5025  940.420  156.863  1032.38  208.337 -91.95563 260.7880 
1 1 1  -22   17   23 o  1313.26  125.903   27.734   5.1139   27.817   6.9254   27.636   7.5835  1299.85  174.563  1288.39  193.995 11.46484 260.9717 
1 1 1  -22   17   25 o  1981.17   98.843   62.193   6.1318   61.276   7.4821   64.066   10.700  1956.60  122.746  1979.24  174.441 -22.64124 213.2985 
1 1 1  -22   17   27 o  2149.65   99.716   73.298   6.7120   71.110   8.1936   77.762   11.703  2106.15  124.798  2180.00  172.857 -73.84961 213.1996 
1 1 1  -22   17   29 o  3490.37  118.433  194.614   12.944  195.806   15.884  192.258   22.330  3483.31  145.635  3390.84  211.367 92.46631 256.6813 
1 1 1  -22   17   31 o  475.256  178.973   2.8981   3.6243   3.2666   5.2396   2.5599   5.0187  538.921  211.920  512.693  205.506 26.22760 295.1992 
1 1 1  -22   17   33 o  2633.76  129.121  112.180   10.649  119.468   15.105  104.978   15.014  2671.70  181.634  2492.66  193.889 179.0342 265.6768 
1 1 1  -22   17   35 o  594.446  197.223   5.9622   4.2833   14.912   6.0249  -3.1843   6.0907  908.997  215.039  429.775  197.547 479.2223 292.0045 
1 1 1  -22   17   37 o  1419.71  107.970   32.913   4.7638   31.760   5.7825   35.350   8.4041  1378.27  135.749  1409.34  195.723 -31.07104 238.1920 
1 1 1  -22   17   39 o  1004.55  124.348   17.014   3.8278   16.679   4.5018   17.888   7.2728  978.077  151.921  940.958  244.583 37.11896 287.9255 
1 1 1  -22   17   41 o  794.120  155.659   11.374   3.7322   13.620   4.4098   5.7045   7.0070  860.687  169.660  583.402  239.490 277.2853 293.4964 
1 1 1  -22   17   43 o  1092.96  128.901   20.869   4.3266   22.824   5.0210   15.232   8.5263  1128.12  145.535  772.568  277.208 355.5501 313.0889 
1 1 1  -22   17   45 o  1103.99  131.380   21.822   4.4524   19.368   5.3280   27.503   8.1067  990.460  178.353  1089.31  243.759 -98.84802 302.0404 
1 1 1  -22   17   47 o  587.050  187.395   7.5539   3.8870   12.696   4.6063  -5.1651   7.2443  763.522  192.668  384.902  187.387 378.6198 268.7657 
1 1 1  -22   17   49 o  2002.09  111.713   71.977   6.9754   66.802   8.4116   83.371   12.481  1845.79  146.750  1852.32  219.462 -6.532349 264.0063 
1 1 1  -22   17   51 o  460.694  182.884   5.2757   3.9368   6.9531   4.5881   0.5939   7.6652  500.672  197.852  404.046  195.785 96.62662 278.3472 
1 1 1  -22   18    2 o  591.078  183.993   5.5953   3.7693   6.6693   4.6033   3.4102   6.5662  645.292  203.714  596.036  236.324 49.25641 312.0070 
1 1 1  -22   18    4 o  915.335  164.764   13.774   4.5487   18.304   5.6633   5.5398   7.6357  1055.17  177.723  676.664  258.587 378.5056 313.7721 
1 1 1  -22   18    6 o  771.326  174.290   9.8959   4.1103   13.966   5.2341   3.3487   6.6389  916.155  188.738  596.703  237.299 319.4522 303.2040 
1 1 1  -22   18    8 o  526.104  175.471   4.2175   3.3890   3.4701   4.0890   5.8572   6.0569  517.762  191.052  646.432  233.436 -128.6692 301.6503 
1 1 1  -22   18   10 f  1090.18  145.664   19.239   4.8481   23.103   6.3096   13.668   7.5749  1188.67  174.737  898.583  256.532 290.0829 310.3896 
1 1 1  -22   18   12 o  1376.25  103.644   30.080   4.4336   31.097   5.3099   27.739   8.0569  1395.54  122.763  1294.55  205.637 100.9915 239.4939 
1 1 1  -22   18   14 o  1825.42  120.751   53.036   6.8630   53.036   6.8630   0.0000   0.0000  1825.42  120.751  ?   ?  0.000000 120.7514 
1 1 1  -22   18   16 o  496.796  176.916   3.4591   3.4666   3.4591   3.4666   0.0000   0.0000  496.796  176.916  ?   ?  0.000000 176.9157 
1 1 1  -22   18   18 o  517.931  160.420   4.2952   2.8694   4.6821   3.3008   3.0986   5.8050  543.146  172.613  561.772  222.372 -18.62561 281.5049 
1 1 1  -22   18   20 o  1392.52  105.909   30.861   4.5834   25.669   5.4384   43.589   8.5153  1261.19  140.078  1638.28  168.390 -377.0944 219.0370 
1 1 1  -22   18   22 o  1437.91  108.138   32.936   4.8332   35.123   5.7522   27.684   8.9135  1480.93  125.220  1278.49  231.163 202.4349 262.9005 
1 1 1  -22   18   24 o  642.191  163.477   6.8946   3.2958   12.008   3.8907  -6.0958   6.2015  853.432  151.125  405.782  190.777 447.6498 243.3814 
1 1 1  -22   18   26 o  941.581  124.816   14.368   3.5893   13.738   4.2246   16.003   6.8056  912.743  153.246  963.646  228.934 -50.90308 275.4908 
1 1 1  -22   18   28 o  2169.64  126.494   75.504   8.5563   92.482   12.199   59.066   12.004  2382.91  164.507  1879.99  207.364 502.9198 264.6930 
1 1 1  -22   18   30 o  2456.92  129.829   97.222   9.9525  102.757   14.126   91.764   14.025  2492.99  182.216  2348.09  192.444 144.8972 265.0238 
1 1 1  -22   18   32 o  2720.80  134.812  119.897   11.485  120.875   16.223  118.913   16.263  2678.27  194.776  2654.13  197.089 24.13965 277.0951 
1 1 1  -22   18   34 o  1847.14  102.382   54.919   5.8985   52.972   7.1511   59.062   10.433  1800.46  127.673  1863.46  181.083 -63.00098 221.5661 
1 1 1  -22   18   36 o  799.359  155.981   11.041   3.7640   11.042   4.5185   11.039   6.8037  785.381  186.512  763.552  248.336 21.82837 310.5763 
1 1 1  -22   18   38 o  682.513  171.650   8.3951   3.6648   8.2777   4.4033   8.6596   6.6109  668.554  196.994  678.432  244.023 -9.877625 313.6145 
1 1 1  -22   18   40 o  458.940  175.571   3.1295   3.5223   3.3203   4.1725   2.6564   6.5707  481.030  189.126  521.808  223.996 -40.77869 293.1600 
1 1 1  -22   18   42 o  480.668  196.937   3.1710   4.7268   7.7378   6.5164  -1.8998   6.8667  619.639  238.385  444.087  206.116 175.5523 315.1374 
1 1 1  -22   18   44 o  1108.47  135.277   21.831   4.5979   18.264   5.3713   31.614   8.8945  966.482  184.211  1189.49  246.890 -223.0089 308.0393 
1 1 1  -22   18   46 o  881.541  159.938   14.928   4.2522   10.846   5.0015   25.571   8.0767  693.782  211.254  1021.32  253.693 -327.5411 330.1342 
1 1 1  -22   18   48 o  879.596  165.141   15.598   4.3813   14.907   5.1389   17.438   8.3837  809.409  203.094  728.326  272.606 81.08325 339.9431 
1 1 1  -22   18   50 o  1779.83  117.497   58.257   6.5114   49.582   7.6705   80.632   12.319  1546.79  160.717  1780.02  226.120 -233.2354 277.4178 
1 1 1  -22   19    1 o  367.665  156.609   0.0364   3.1673  -0.1447   3.4983   0.8598   7.4596  381.060  163.506  572.150  241.877 -191.0898 291.9566 
1 1 1  -22   19    3 o  1020.82  171.338   17.072   5.2827   15.837   6.8131   18.934   8.3651  969.782  228.173  1055.78  255.740 -86.00049 342.7328 
1 1 1  -22   19    5 o  1088.22  124.410   18.977   4.1631   22.351   4.8105   8.9113   8.3086  1180.48  132.423  775.510  274.134 404.9689 304.4431 
1 1 1  -22   19    7 o  427.238  173.865   1.2012   3.6529  -3.9383   4.3576   13.351   6.6999  349.682  162.932  890.141  236.395 -540.4584 287.1053 
1 1 1  -22   19    9 o  382.988  164.563  -0.1778   3.5525  -1.1653   4.2548   2.0953   6.4554  396.556  175.031  562.547  230.277 -165.9915 289.2462 
1 1 1  -22   19   11 o  1525.09  129.076   37.115   6.1061   41.847   8.1011   30.891   9.2915  1611.50  162.776  1363.29  225.547 248.2054 278.1501 
1 1 1  -22   19   13 o  1487.34  130.072   35.336   5.9968   33.265   7.7808   38.364   9.4115  1430.51  177.523  1530.13  201.321 -99.61975 268.4114 
1 1 1  -22   19   15 o  647.178  202.913   6.7367   4.5751   6.7367   4.5751   0.0000   0.0000  647.178  202.913  ?   ?  0.000000 202.9135 
1 1 1  -22   19   17 o  825.175  175.768   11.322   4.4024   16.105   5.7145   4.3393   6.9051  983.753  192.406  627.532  244.278 356.2209 310.9528 
1 1 1  -22   19   19 o  1508.43  169.744   36.924   7.8782   36.924   7.8782   0.0000   0.0000  1508.43  169.744  ?   ?  0.000000 169.7439 
1 1 1  -22   19   21 o  671.179  188.370   7.4898   4.1205   7.4898   4.1205   0.0000   0.0000  671.179  188.370  ?   ?  0.000000 188.3705 
1 1 1  -22   19   23 f  1854.13  103.821   54.560   6.0033   60.619   7.2345   41.160   10.758  1950.66  119.013  1569.07  225.439 381.5934 254.9248 
1 1 1  -22   19   25 o  1299.35  141.033   27.303   5.6459   28.134   7.7527   26.363   8.2385  1300.63  196.488  1249.87  218.461 50.76465 293.8240 
1 1 1  -22   19   27 o  745.527  199.315   9.4536   4.7426   9.1443   6.1967   9.8910   7.3688  740.544  236.630  774.171  258.747 -33.62683 350.6335 
1 1 1  -22   19   29 o  1081.21  121.752   18.928   4.0502   17.522   4.6651   23.230   8.1618  1031.43  148.747  1154.66  233.762 -123.2350 277.0747 
1 1 1  -22   19   31 o  1177.49  124.463   22.556   4.5194   22.247   5.3495   23.328   8.4472  1159.30  150.945  1142.23  243.613 17.06409 286.5869 
1 1 1  -22   19   33 o  1346.18  111.537   29.367   4.6592   29.564   5.5588   28.903   8.5423  1340.73  134.214  1275.54  221.937 65.19360 259.3632 
1 1 1  -22   19   35 o  802.592  162.935   11.165   3.9549   7.3577   4.5923   22.095   7.7814  644.644  203.465  1090.53  234.824 -445.8831 310.7092 
1 1 1  -22   19   37 o  1756.24  107.257   50.376   5.8700   51.789   7.0525   47.189   10.591  1765.13  128.481  1603.48  216.463 161.6510 251.7213 
1 1 1  -22   19   39 o  1982.62  107.755   64.673   6.6644   66.767   8.0966   60.273   11.735  1992.36  130.504  1794.49  213.012 197.8662 249.8104 
1 1 1  -22   19   41 o  382.331  165.799   0.4628   3.6726  -1.3872   4.2099   6.3541   7.5126  365.164  166.484  606.316  248.332 -241.1521 298.9747 
1 1 1  -22   19   43 o  1875.59  140.986   61.838   8.2194   51.067   11.258   74.132   12.028  1559.75  238.057  1952.66  199.523 -392.9116 310.6135 
1 1 1  -22   19   45 o  911.070  165.712   15.779   4.5533   18.991   5.2525   6.0654   9.1332  990.729  175.752  572.963  254.487 417.7667 309.2770 
1 1 1  -22   19   47 o  1109.82  143.903   22.934   4.8831   21.660   5.6376   26.762   9.7704  1033.86  180.728  936.016  296.923 97.84717 347.5997 
1 1 1  -22   20    2 o  656.768  180.261   7.1097   3.8195   7.3582   4.1053   5.5089   10.420  668.770  188.137  747.733  297.313 -78.96283 351.8386 
1 1 1  -22   20    4 o  721.188  218.497   8.4662   5.3602  -1.4325   6.5140   29.225   9.4332  494.974  217.595  1325.29  235.967 -830.3104 320.9797 
1 1 1  -22   20    6 o  736.598  169.112   8.9847   3.8181   7.0351   4.2037   18.174   9.1263  656.383  192.212  1034.38  276.469 -377.9930 336.7204 
1 1 1  -22   20    8 o  835.221  151.675   11.413   3.8206   11.565   4.1639   10.601   9.6088  838.298  164.506  839.642  294.999 -1.343994 337.7669 
1 1 1  -22   20   10 o  861.786  167.156   12.226   4.3479   12.226   4.3479   0.0000   0.0000  861.786  167.156  ?   ?  0.000000 167.1557 
1 1 1  -22   20   12 o  633.137  177.135   6.5930   3.6497   10.860   4.0756 -10.6784   8.1998  811.150  166.053  440.688  210.680 370.4619 268.2532 
1 1 1  -22   20   14 o  491.492  183.432   2.9843   3.7905   2.9843   3.7905   0.0000   0.0000  491.492  183.432  ?   ?  0.000000 183.4321 
1 1 1  -22   20   16 o  680.365  198.260   7.6124   4.4821   15.680   5.4918  -8.4816   7.7567  973.013  187.047  445.602  210.670 527.4109 281.7241 
1 1 1  -22   20   18 o  592.070  199.031   5.3510   4.3602   8.3569   5.2338  -1.4679   7.8828  713.747  215.830  544.626  239.396 169.1208 322.3250 
1 1 1  -22   20   20 f  1184.26  152.845   22.736   5.5355   23.718   7.0326   21.138   8.9746  1198.10  194.099  1109.45  262.446 88.64319 326.4236 
1 1 1  -22   20   22 o  2396.09  197.356   93.707   14.675   0.0000   0.0000   93.707   14.675  ?   ?   2396.09  197.356 0.000000 197.3560 
1 1 1  -22   20   24 o  1792.53  206.033   53.146   11.354   0.0000   0.0000   53.146   11.354  ?   ?   1792.53  206.033 0.000000 206.0328 
1 1 1  -22   20   26 o  1340.56  235.046   30.761   9.5066   0.0000   0.0000   30.761   9.5066  ?   ?   1340.56  235.046 0.000000 235.0456 
1 1 1  -22   20   28 o  1430.08  143.242   33.298   6.3280   28.076   8.6006   39.463   9.3440  1277.67  223.094  1532.14  199.498 -254.4698 299.2833 
1 1 1  -22   20   30 o  869.787  188.168   13.023   4.9758   5.6696   6.2232   26.055   8.2850  627.334  234.856  1220.49  225.082 -593.1575 325.2988 
1 1 1  -22   20   32 o  2174.41  107.326   75.896   7.3074   72.577   8.7722   83.422   13.208  2108.41  133.563  2213.68  192.470 -105.2712 234.2729 
1 1 1  -22   20   34 o  693.937  177.476   8.4592   3.8717   4.1001   4.4219   22.778   8.0142  530.295  198.080  1111.14  237.542 -580.8470 309.2928 
1 1 1  -22   20   36 o  1539.69  113.215   38.783   5.4200   34.118   6.3558   51.220   10.377  1424.58  144.483  1699.58  198.748 -274.9999 245.7155 
1 1 1  -22   20   38 o  1317.72  121.771   28.880   4.9676   23.343   5.9034   42.311   9.1940  1153.63  168.387  1530.98  196.308 -377.3453 258.6330 
1 1 1  -22   20   40 o  763.748  181.089   10.782   4.2649   12.574   4.9105   5.2757   8.6052  817.198  194.677  610.746  259.077 206.4528 324.0682 
1 1 1  -22   20   42 o  1366.95  125.449   31.852   5.3096   31.934   6.1918   31.623   10.321  1346.55  149.368  1181.57  282.747 164.9761 319.7758 
1 1 1  -22   20   44 o  883.247  221.266   16.417   6.1066   13.304   7.9055   21.022   9.6158  738.994  266.716  892.055  295.478 -153.0611 398.0511 
1 1 1  -22   20   46 o  317.729  150.287  -2.8220   3.9560  -1.2194   4.4244  -9.2119   8.8344  362.805  167.349  404.843  199.126 -42.03778 260.1095 
1 1 1  -22   21    1 o  1418.27  145.099   32.224   6.3530   32.224   6.3530   0.0000   0.0000  1418.27  145.099  ?   ?  0.000000 145.0990 
1 1 1  -22   21    3 o  1551.76  139.147   38.439   6.6892   38.439   6.6892   0.0000   0.0000  1551.76  139.147  ?   ?  0.000000 139.1469 
1 1 1  -22   21    5 o  1028.20  332.935   17.436   12.236   0.0000   0.0000   17.436   12.236  ?   ?   1028.20  332.935 0.000000 332.9345 
1 1 1  -22   21    7 o  1318.65  131.049   27.771   5.3394   30.272   5.8675   15.720   12.877  1375.91  138.053  996.330  341.987 379.5795 368.8004 
1 1 1  -22   21    9 o  1129.72  141.078   20.529   4.8817   19.505   5.3567   25.548   11.859  1096.37  160.814  1218.83  310.000 -122.4664 349.2296 
1 1 1  -22   21   11 o  1152.98  132.284   21.311   4.6894   19.451   5.1929   29.530   10.917  1095.78  155.725  1320.48  273.051 -224.6997 314.3362 
1 1 1  -22   21   13 o  446.787  178.460   1.6535   3.7701   1.6535   3.7701   0.0000   0.0000  446.787  178.460  ?   ?  0.000000 178.4603 
1 1 1  -22   21   15 o  451.970  176.294   2.0473   3.6021   2.2101   3.8926   1.0768   9.5018  469.360  183.214  641.573  272.202 -172.2138 328.1176 
1 1 1  -22   21   17 o  1494.27  149.787   35.887   6.9140   33.426   8.8581   39.723   11.061  1425.80  204.245  1545.22  236.088 -119.4236 312.1758 
1 1 1  -22   21   19 o  873.810  215.139   12.884   5.8472   19.525   7.5742   3.0894   9.1988  1074.14  231.983  665.264  273.901 408.8740 358.9398 
1 1 1  -22   21   21 o  656.317  267.186   3.5737   8.6306   0.0000   0.0000   3.5737   8.6306  ?   ?   656.317  267.186 0.000000 267.1857 
1 1 1  -22   21   23 o  1388.55  117.082   30.838   5.0431   34.373   5.9185   21.470   9.6355  1462.86  130.581  1105.30  278.518 357.5607 307.6098 
1 1 1  -22   21   25 o  509.492  232.328  -4.1220   8.2030   0.0000   0.0000  -4.1220   8.2030  ?   ?   509.492  232.328 0.000000 232.3276 
1 1 1  -22   21   27 o  647.569  264.007   4.0180   8.4418   0.0000   0.0000   4.0180   8.4418  ?   ?   647.569  264.007 0.000000 264.0065 
1 1 1  -22   21   29 o  1751.61  217.419   52.585   11.668   0.0000   0.0000   52.585   11.668  ?   ?   1751.61  217.419 0.000000 217.4185 
1 1 1  -22   21   33 f  498.554  228.864  -3.5586   8.1386   0.0000   0.0000  -3.5586   8.1386  ?   ?   498.554  228.864 0.000000 228.8637 
1 1 1  -22   21   35 o  790.182  284.106   11.763   8.9603   0.0000   0.0000   11.763   8.9603  ?   ?   790.182  284.106 0.000000 284.1060 
1 1 1  -22   21   37 f  448.632  214.025  -7.6036   8.3695   0.0000   0.0000  -7.6036   8.3695  ?   ?   448.632  214.025 0.000000 214.0245 
1 1 1  -22   21   39 o  723.679  282.725   10.139   9.2753   0.0000   0.0000   10.139   9.2753  ?   ?   723.679  282.725 0.000000 282.7249 
1 1 1  -22   21   41 o  1213.98  285.529   32.307   10.672   0.0000   0.0000   32.307   10.672  ?   ?   1213.98  285.529 0.000000 285.5291 
1 1 1  -22   21   43 o  360.946  172.714  -5.1342   5.5378   0.2174   7.0839 -13.5446   8.8805  481.987  218.260  394.603  195.128 87.38297 292.7667 
1 1 1  -22   21   45 o  1313.22  185.071   33.297   7.3991   33.962   9.7682   32.401   11.333  1212.47  264.715  1087.49  314.789 124.9828 411.2984 
1 1 1  -22   22    2 o  1282.81  153.055   26.512   6.0265   26.512   6.0265   0.0000   0.0000  1282.81  153.055  ?   ?  0.000000 153.0548 
1 1 1  -22   22    4 o  334.927  156.020  -3.6287   3.9920  -3.6287   3.9920   0.0000   0.0000  334.927  156.020  ?   ?  0.000000 156.0204 
1 1 1  -22   22    6 o  448.651  210.007  -6.9862   7.3754  -6.9862   7.3754   0.0000   0.0000  448.651  210.007  ?   ?  0.000000 210.0070 
1 1 1  -22   22    8 o  947.018  180.098   14.781   5.1453   14.781   5.1453   0.0000   0.0000  947.018  180.098  ?   ?  0.000000 180.0976 
1 1 1  -22   22   10 o  627.289  197.785   6.2596   4.3403   6.2596   4.3403   0.0000   0.0000  627.289  197.785  ?   ?  0.000000 197.7850 
1 1 1  -22   22   12 o  1012.24  156.028   16.669   4.7865   19.971   5.3418   3.2173   10.781  1109.39  158.262  714.073  295.504 395.3160 335.2158 
1 1 1  -22   22   14 o  407.276  185.065  -2.9112   5.1471  -8.0621   6.1840   8.7031   9.2860  383.784  183.332  787.036  288.297 -403.2515 341.6519 
1 1 1  -22   22   16 o  1854.36  144.271   55.033   8.3111   50.166   10.759   62.234   13.088  1752.49  199.622  1946.67  218.488 -194.1836 295.9496 
1 1 1  -22   22   18 o  1208.63  225.438   24.553   8.2179   24.553   8.2179   0.0000   0.0000  1208.63  225.438  ?   ?  0.000000 225.4376 
1 1 1  -22   22   20 o  1126.62  279.717   22.157   9.8221   0.0000   0.0000   22.157   9.8221  ?   ?   1126.62  279.717 0.000000 279.7169 
1 1 1  -22   22   22 o  726.947  227.698   8.7566   5.7626   9.9984   7.2056   6.5530   9.5987  779.439  255.667  735.050  287.489 44.38947 384.7275 
1 1 1  -22   22   24 o  807.180  271.371   10.822   8.1058   10.822   8.1058   0.0000   0.0000  807.180  271.371  ?   ?  0.000000 271.3711 
1 1 1  -22   22   26 f  1207.85  176.754   24.295   6.4871   28.697   8.3318   17.519   10.338  1298.76  212.206  983.609  304.466 315.1553 371.1211 
1 1 1  -22   22   28 o  688.555  253.040   7.1950   7.1619   7.1950   7.1619   0.0000   0.0000  688.555  253.040  ?   ?  0.000000 253.0395 
1 1 1  -22   22   30 o  509.980  215.433   1.2798   5.9106   6.7195   7.5131  -7.5547   9.5746  677.524  257.079  505.391  237.428 172.1323 349.9453 
1 1 1  -22   22   32 o  1214.94  187.847   25.323   6.9157   27.113   9.2694   23.076   10.386  1218.73  251.249  1092.89  296.131 125.8483 388.3551 
1 1 1  -22   22   38 o  1062.53  309.158   24.449   10.906   0.0000   0.0000   24.449   10.906  ?   ?   1062.53  309.158 0.000000 309.1576 
1 1 1  -22   22   40 o  591.692  262.012   2.4873   9.6105   0.0000   0.0000   2.4873   9.6105  ?   ?   591.692  262.012 0.000000 262.0118 
1 1 1  -22   22   42 o  867.499  321.632   19.254   11.616   0.0000   0.0000   19.254   11.616  ?   ?   867.499  321.632 0.000000 321.6323 
1 1 1  -22   23    1 o  454.091  189.194   0.8359   4.4625   2.9470   4.8965  -9.5134   10.841  529.263  205.793  545.717  255.178 -16.45410 327.8211 
1 1 1  -22   23    3 o  897.016  180.966   13.329   4.9076   20.080   5.5367 -11.4175   10.600  1110.60  164.159  519.532  245.822 591.0723 295.5954 
1 1 1  -22   23    5 o  846.686  184.891   11.919   4.7644   15.882   5.3523  -3.2066   10.457  981.382  180.837  607.275  270.850 374.1072 325.6714 
1 1 1  -22   23    7 o  577.830  237.465   2.0919   6.8985   4.7688   9.0208  -1.6787   10.706  696.384  276.716  635.801  279.245 60.58276 393.1275 
1 1 1  -22   23    9 o  1257.32  268.738   26.909   10.259   26.909   10.259   0.0000   0.0000  1257.32  268.738  ?   ?  0.000000 268.7381 
1 1 1  -22   23   11 o  643.087  262.217   3.1128   8.3293   3.1128   8.3293   0.0000   0.0000  643.087  262.217  ?   ?  0.000000 262.2173 
1 1 1  -22   23   13 o  691.719  268.042   5.5109   8.2849   5.5109   8.2849   0.0000   0.0000  691.719  268.042  ?   ?  0.000000 268.0420 
1 1 1  -22   23   15 o  467.755  216.246  -5.5366   7.4494  -5.5366   7.4494   0.0000   0.0000  467.755  216.246  ?   ?  0.000000 216.2460 
1 1 1  -22   23   17 o  454.528  207.212  -3.7181   6.5200  -3.7181   6.5200   0.0000   0.0000  454.528  207.212  ?   ?  0.000000 207.2116 
1 1 1  -22   23   21 o  1151.29  204.747   22.261   7.1106   32.244   9.1493   7.0351   11.299  1385.35  218.132  778.980  309.646 606.3698 378.7636 
1 1 1  -22   23   23 o  547.329  239.038  -0.5925   7.7478  -0.5925   7.7478   0.0000   0.0000  547.329  239.038  ?   ?  0.000000 239.0376 
1 1 1  -22   23   25 o  614.764  220.682   5.5867   5.4042   1.6259   8.2650   8.5447   7.1425  599.941  254.166  731.167  254.482 -131.2256 359.6683 
1 1 1  -22   23   27 o  1672.27  151.143   45.639   7.8287   69.351   10.799   19.374   11.365  2053.97  169.423  1023.25  319.653 1030.716 361.7767 
1 1 1  -22   23   29 o  676.040  233.118   7.4409   5.9870   7.6135   7.4771   7.1324   9.9940  702.825  258.509  734.993  291.512 -32.16870 389.6226 
1 1 1  -22   23   31 o  635.210  230.730   6.2390   5.9298   5.3845   7.3903   7.7835   9.9357  641.918  251.918  739.395  291.481 -97.47699 385.2584 
1 1 1  -22   23   33 o  617.484  234.261   5.5608   6.2380   8.1274   7.6255   0.3687   10.846  706.055  260.828  628.424  278.306 77.63104 381.4256 
1 1 1  -22   23   35 o  708.477  273.533   8.0427   8.6035   8.0427   8.6035   0.0000   0.0000  708.477  273.533  ?   ?  0.000000 273.5334 
1 1 1  -22   23   37 f  832.245  243.229   13.192   6.7372   21.364   8.2417  -3.2687   11.697  1054.91  252.809  586.796  271.170 468.1177 370.7365 
1 1 1  -22   23   39 o  612.536  258.590   4.4047   8.5071   4.4047   8.5071   0.0000   0.0000  612.536  258.590  ?   ?  0.000000 258.5897 
1 1 1  -22   24    2 o  374.850  182.626 -12.0740   6.9163 -10.7156   9.6184 -13.5285   9.9526  491.775  233.117  477.641  229.340 14.13425 327.0172 
1 1 1  -22   24    4 o  406.874  195.100  -9.7735   7.1494   0.1940   9.5277 -22.6188   10.816  626.713  269.399  440.557  217.386 186.1554 346.1678 
1 1 1  -22   24    6 o  977.139  254.212   16.242   7.8522   30.731   10.437  -2.6570   11.920  1348.58  256.531  657.186  291.366 691.3991 388.2043 
1 1 1  -22   24    8 o  691.600  249.752   6.7611   6.9332  -0.5787   9.6521   14.585   9.9655  618.330  268.464  937.024  300.152 -318.6937 402.6961 
1 1 1  -22   24   10 o  443.544  212.617 -11.3695   8.4762 -11.3695   8.4762   0.0000   0.0000  443.544  212.617  ?   ?  0.000000 212.6171 
1 1 1  -22   24   12 o  975.217  293.353   16.203   9.6874   16.203   9.6874   0.0000   0.0000  975.217  293.353  ?   ?  0.000000 293.3532 
1 1 1  -22   24   14 o  619.526  240.302   4.3118   6.6638  -1.3544   8.6793   12.448   10.401  572.987  251.547  885.942  307.159 -312.9552 397.0170 
1 1 1  -22   24   16 o  702.279  272.215   5.8412   8.5469   5.8412   8.5469   0.0000   0.0000  702.279  272.215  ?   ?  0.000000 272.2154 
1 1 1  -22   24   20 o  646.390  264.434   3.3722   8.5059   3.3722   8.5059   0.0000   0.0000  646.390  264.434  ?   ?  0.000000 264.4341 
1 1 1  -22   24   22 o  1020.46  280.574   18.367   9.2440   18.367   9.2440   0.0000   0.0000  1020.46  280.574  ?   ?  0.000000 280.5743 
1 1 1  -22   24   24 o  552.845  237.628   0.4138   7.4120   0.4138   7.4120   0.0000   0.0000  552.845  237.628  ?   ?  0.000000 237.6283 
1 1 1  -22   24   26 o  1426.84  244.670   35.264   10.538   35.264   10.538   0.0000   0.0000  1426.84  244.670  ?   ?  0.000000 244.6696 
1 1 1  -22   24   28 o  796.777  270.866   10.768   8.0765   10.768   8.0765   0.0000   0.0000  796.777  270.866  ?   ?  0.000000 270.8658 
1 1 1  -22   24   30 o  654.394  268.427   4.2594   8.7941   4.2594   8.7941   0.0000   0.0000  654.394  268.427  ?   ?  0.000000 268.4266 
1 1 1  -22   24   32 o  648.340  268.299   4.1136   8.8875   4.1136   8.8875   0.0000   0.0000  648.340  268.299  ?   ?  0.000000 268.2991 
1 1 1  -22   24   34 o  358.939  176.623 -13.0715   6.9754 -13.0715   6.9754   0.0000   0.0000  358.939  176.623  ?   ?  0.000000 176.6233 
1 1 1  -22   24   36 o  791.607  276.170   11.653   8.4143   11.653   8.4143   0.0000   0.0000  791.607  276.170  ?   ?  0.000000 276.1704 
1 1 1  -22   24   38 o  681.330  252.015   8.0928   7.1234  -1.9364   9.1080   23.891   11.431  537.741  245.054  1054.07  319.024 -516.3315 402.2779 
1 1 1  -22   25    1 o  564.282  248.376  -1.6408   8.5108  -0.2055   11.516  -3.3679   12.633  678.447  293.905  668.031  297.844 10.41614 418.4391 
1 1 1  -22   25    3 o  1059.84  327.284   19.220   11.953   0.0000   0.0000   19.220   11.953  ?   ?   1059.84  327.284 0.000000 327.2841 
1 1 1  -22   25    5 o  763.902  307.519   5.4982   11.291   5.4982   11.291   0.0000   0.0000  763.902  307.519  ?   ?  0.000000 307.5190 
1 1 1  -22   25    7 o  570.651  245.457  -0.0297   7.9186  -4.6738   10.692   5.6125   11.785  594.793  268.851  776.867  313.670 -182.0746 413.1216 
1 1 1  -22   25    9 o  1587.70  261.563   42.440   12.551   42.440   12.551   0.0000   0.0000  1587.70  261.563  ?   ?  0.000000 261.5627 
1 1 1  -22   25   11 o  1344.43  285.197   31.085   11.634   31.085   11.634   0.0000   0.0000  1344.43  285.197  ?   ?  0.000000 285.1970 
1 1 1  -22   25   13 o  649.351  274.948   1.4248   9.6634   1.4248   9.6634   0.0000   0.0000  649.351  274.948  ?   ?  0.000000 274.9477 
1 1 1  -22   25   15 o  676.137  255.921   5.8083   7.4339   6.1310   9.5672   5.3168   11.810  732.892  286.913  768.234  312.623 -35.34222 424.3255 
1 1 1  -22   25   17 o  626.595  276.228  -1.6556   10.565   0.0000   0.0000  -1.6556   10.565  ?   ?   626.595  276.228 0.000000 276.2282 
1 1 1  -22   25   19 o  740.876  254.861   8.5763   7.1537   5.1873   9.4410   13.146   10.962  707.590  282.482  902.487  315.206 -194.8969 423.2617 
1 1 1  -22   25   21 o  775.997  247.486   9.9857   6.7808   14.262   8.4118   2.0514   11.458  909.969  273.276  700.802  298.175 209.1675 404.4598 
1 1 1  -22   25   23 o  1020.23  273.386   18.320   8.9103   18.320   8.9103   0.0000   0.0000  1020.23  273.386  ?   ?  0.000000 273.3857 
1 1 1  -22   25   25 o  564.643  244.716  -0.0004   7.9914  -0.0004   7.9914   0.0000   0.0000  564.643  244.716  ?   ?  0.000000 244.7159 
1 1 1  -22   25   27 f  923.408  299.500   15.073   9.8988   15.073   9.8988   0.0000   0.0000  923.408  299.500  ?   ?  0.000000 299.4996 
1 1 1  -22   25   29 o  762.099  289.239   8.5927   9.5119   8.5927   9.5119   0.0000   0.0000  762.099  289.239  ?   ?  0.000000 289.2393 
1 1 1  -22   25   31 o  1127.58  275.058   23.315   9.6250   23.315   9.6250   0.0000   0.0000  1127.58  275.058  ?   ?  0.000000 275.0583 
1 1 1  -22   25   33 o  466.896  218.492  -6.0732   7.9749  -6.0732   7.9749   0.0000   0.0000  466.896  218.492  ?   ?  0.000000 218.4921 
1 1 1  -22   25   35 o  1047.01  283.192   21.080   9.5083   21.080   9.5083   0.0000   0.0000  1047.01  283.192  ?   ?  0.000000 283.1916 
1 1 1  -22   26    2 f  739.525  291.168   5.8760   9.9027  -2.5854   13.579   15.488   14.473  704.238  311.667  1002.01  360.989 -297.7686 476.9166 
1 1 1  -22   26    4 o  1024.62  296.570   17.931   10.060   9.4405   13.866   27.366   14.616  885.021  345.704  1246.77  356.487 -361.7510 496.5824 
1 1 1  -22   26    6 o  932.170  290.519   14.498   9.3943   11.562   13.586   17.189   13.004  917.599  346.297  1022.02  343.720 -104.4232 487.9193 
1 1 1  -22   26    8 o  624.201  284.240  -6.2042   12.225  -6.2042   12.225   0.0000   0.0000  624.201  284.240  ?   ?  0.000000 284.2404 
1 1 1  -22   26   10 o  495.136  239.337 -16.9139   11.289 -16.9139   11.289   0.0000   0.0000  495.136  239.337  ?   ?  0.000000 239.3371 
1 1 1  -22   26   12 o  606.936  275.101  -5.1475   11.285  -5.1475   11.285   0.0000   0.0000  606.936  275.101  ?   ?  0.000000 275.1014 
1 1 1  -22   26   14 o  1201.47  239.149   24.377   8.6807   29.044   11.901   19.071   12.690  1292.59  299.841  1056.24  338.743 236.3459 452.3846 
1 1 1  -22   26   18 o  927.051  313.180   14.146   10.796   14.146   10.796   0.0000   0.0000  927.051  313.180  ?   ?  0.000000 313.1797 
1 1 1  -22   26   20 o  511.208  224.000  -1.0336   6.8536   9.6725   8.7130 -18.4079   11.100  793.290  280.693  474.877  231.357 318.4134 363.7512 
1 1 1  -22   26   22 o  947.387  247.616   15.489   7.4275   12.672   10.293   18.549   10.729  882.129  305.580  1026.86  308.676 -144.7301 434.3502 
1 1 1  -22   26   24 o  1121.71  235.969   21.618   8.0254   28.197   10.767   13.393   12.039  1266.11  279.092  911.887  329.135 354.2267 431.5351 
1 1 1  -22   26   26 o  610.253  237.092   4.4068   6.4952  -0.2304   8.5997   10.565   9.9101  580.479  252.719  821.576  298.301 -241.0964 390.9609 
1 1 1  -22   26   28 o  1059.46  236.405   19.575   7.6435  -3.3187   12.529   33.146   9.6465  646.974  291.864  1390.39  229.589 -743.4105 371.3427 
1 1 1  -22   26   30 o  506.235  240.344 -10.3120   10.301 -10.3120   10.301   0.0000   0.0000  506.235  240.344  ?   ?  0.000000 240.3442 
1 1 1  -22   27    1 o  646.722  280.649  -0.5936   10.537   2.9588   15.035  -4.0230   14.773  812.021  343.342  720.000  321.470 92.02191 470.3480 
1 1 1  -22   27    3 o  1146.30  377.347   22.275   15.691   0.0000   0.0000   22.275   15.691  ?   ?   1146.30  377.347 0.000000 377.3470 
1 1 1  -22   27    5 o  502.582  239.268 -12.3822   10.348 -17.8275   14.804  -7.1805   14.470  594.916  284.042  678.638  309.111 -83.72241 419.7967 
1 1 1  -22   27    7 o  1545.26  341.431   41.705   16.080   41.705   16.080   0.0000   0.0000  1545.26  341.431  ?   ?  0.000000 341.4309 
1 1 1  -22   27   11 o  704.211  281.496   4.7110   9.3880   2.2602   13.097   7.3010   13.464  756.211  320.137  841.953  336.912 -85.74121 464.7547 
1 1 1  -22   27   13 o  1484.52  308.814   38.091   13.887   38.091   13.887   0.0000   0.0000  1484.52  308.814  ?   ?  0.000000 308.8140 
1 1 1  -22   27   15 o  777.827  283.172   8.6451   8.9391   12.753   11.870   3.2636   13.586  913.729  327.165  779.702  327.846 134.0268 463.1628 
1 1 1  -22   27   17 o  663.898  293.809  -2.2906   12.067  -2.2906   12.067   0.0000   0.0000  663.898  293.809  ?   ?  0.000000 293.8087 
1 1 1  -22   27   19 o  1012.01  320.973   17.544   11.418   17.544   11.418   0.0000   0.0000  1012.01  320.973  ?   ?  0.000000 320.9727 
1 1 1  -22   27   21 o  914.027  266.782   14.299   8.1099   18.432   10.988   9.3530   12.020  1028.87  313.084  840.935  323.692 187.9324 450.3315 
1 1 1  -22   27   23 o  729.748  267.079   7.6760   7.9670  -0.7083   10.723   18.007   11.903  641.712  280.711  1017.16  328.267 -375.4450 431.9236 
1 1 1  -22   27   25 o  562.319  241.678   0.3455   7.6656  -6.4677   10.280   8.8800   11.505  552.708  254.995  815.763  315.936 -263.0544 406.0019 
1 1 1  -22   27   27 o  1067.67  281.693   20.310   9.5539   25.890   14.763   16.290   12.532  1176.12  363.813  970.783  337.126 205.3406 495.9977 
1 1 1  -22   28    2 o  681.942  306.461  -4.9304   13.660   0.0000   0.0000  -4.9304   13.660  ?   ?   681.942  306.461 0.000000 306.4613 
1 1 1  -22   28    4 o  881.886  351.843   8.1205   14.638   0.0000   0.0000   8.1205   14.638  ?   ?   881.886  351.843 0.000000 351.8433 
1 1 1  -22   28    6 o  625.709  275.151  -1.8888   10.423 -13.0743   15.397   7.5728   14.161  650.096  304.022  863.870  345.578 -213.7746 460.2751 
1 1 1  -22   28    8 o  828.553  352.690   2.3769   16.044   2.3769   16.044   0.0000   0.0000  828.553  352.690  ?   ?  0.000000 352.6901 
1 1 1  -22   28   10 f  628.133  271.045  -0.2184   9.7178   4.5257   13.759  -4.9405   13.727  807.136  333.907  682.996  307.048 124.1396 453.6211 
1 1 1  -22   28   12 o  1085.93  288.634   20.204   9.9827  -0.2389   14.081   40.859   14.154  747.829  324.474  1544.66  303.470 -796.8309 444.2720 
1 1 1  -22   28   14 f  660.920  275.118   2.3412   9.4240   6.7210   13.751  -1.5379   12.941  838.571  338.741  700.814  307.423 137.7571 457.4436 
1 1 1  -22   28   18 o  1253.32  246.170   26.561   9.3162   34.272   12.966   18.333   13.395  1405.45  303.507  1044.70  348.856 360.7507 462.4036 
1 1 1  -22   28   20 o  689.260  296.274   0.7359   11.523   0.7359   11.523   0.0000   0.0000  689.260  296.274  ?   ?  0.000000 296.2739 
1 1 1  -21    0    1 f  1959.05  109.102   61.191   6.6451   61.191   6.6451   61.191   6.6451  1959.05  109.102  1959.05  109.102 -0.000000 0.000000 
1 1 1  -21    0    3 o  3986.20  152.473  254.207   18.968  254.207   18.968  254.207   18.968  3986.20  152.473  3986.20  152.473 -0.000000 0.000000 
1 1 1  -21    0    5 o  3486.82  139.915  194.005   15.220  194.005   15.220  194.005   15.220  3486.82  139.915  3486.82  139.915 -0.000000 0.000000 
1 1 1  -21    0    7 o  364.503  167.462   3.0799   2.0933   3.0799   2.0933   3.0799   2.0933  364.503  167.462  364.503  167.462 -0.000000 0.000000 
1 1 1  -21    0    9 o  380.180  191.967   3.4146   2.8326   3.4146   2.8326   3.4146   2.8326  380.180  191.967  380.180  191.967 -0.000000 0.000000 
1 1 1  -21    0   11 o  241.953  147.869   0.8181   2.1293   0.8181   2.1293   0.8181   2.1293  241.953  147.869  241.953  147.869 -0.000000 0.000000 
1 1 1  -21    0   13 o  1083.04  155.909   19.774   4.9690   19.774   4.9690   19.774   4.9690  1083.04  155.909  1083.04  155.909 -0.000000 0.000000 
1 1 1  -21    0   15 o  2171.01  164.264   76.575   11.020   76.575   11.020   76.575   11.020  2171.01  164.264  2171.01  164.264 -0.000000 0.000000 
1 1 1  -21    0   17 o  2963.20  186.834  142.898   17.177  142.898   17.177  142.898   17.177  2963.20  186.834  2963.20  186.834 -0.000000 0.000000 
1 1 1  -21    0   19 o  2822.02  182.279  129.563   15.953  129.563   15.953  129.563   15.953  2822.02  182.279  2822.02  182.279 -0.000000 0.000000 
1 1 1  -21    0   21 o  2741.18  125.629  119.924   10.732  119.924   10.732  119.924   10.732  2741.18  125.629  2741.18  125.629 -0.000000 0.000000 
1 1 1  -21    0   23 f  1237.66  112.504   24.826   4.2772   24.826   4.2772   24.826   4.2772  1237.66  112.504  1237.66  112.504 -0.000000 0.000000 
1 1 1  -21    0   25 f  1576.54  110.049   39.903   5.3718   39.903   5.3718   39.903   5.3718  1576.54  110.049  1576.54  110.049 -0.000000 0.000000 
1 1 1  -21    0   27 o  2101.29  114.706   70.634   7.4959   70.634   7.4959   70.634   7.4959  2101.29  114.706  2101.29  114.706 -0.000000 0.000000 
1 1 1  -21    0   29 o  2482.34  177.965  101.172   13.670  101.172   13.670  101.172   13.670  2482.34  177.965  2482.34  177.965 -0.000000 0.000000 
1 1 1  -21    0   31 o  1826.23  115.012   53.587   6.5170   53.587   6.5170   53.587   6.5170  1826.23  115.012  1826.23  115.012 -0.000000 0.000000 
1 1 1  -21    0   33 o  2633.81  125.983  111.161   10.336  111.161   10.336  111.161   10.336  2633.81  125.983  2633.81  125.983 -0.000000 0.000000 
1 1 1  -21    0   35 o  2767.75  184.502  125.339   15.827  125.339   15.827  125.339   15.827  2767.75  184.502  2767.75  184.502 -0.000000 0.000000 
1 1 1  -21    0   37 o  489.147  232.307   5.7247   4.0517   5.7247   4.0517   5.7247   4.0517  489.147  232.307  489.147  232.307 -0.000000 0.000000 
1 1 1  -21    0   39 o  1745.15  164.324   50.008   8.7965   50.008   8.7965   50.008   8.7965  1745.15  164.324  1745.15  164.324 -0.000000 0.000000 
1 1 1  -21    0   41 o  5117.24  277.339  441.211   44.141  441.211   44.141  441.211   44.141  5117.24  277.339  5117.24  277.339 -0.000000 0.000000 
1 1 1  -21    0   43 o  616.440  184.094   7.4787   3.0942   7.4787   3.0942   7.4787   3.0942  616.440  184.094  616.440  184.094 -0.000000 0.000000 
1 1 1  -21    0   45 o  1857.53  115.354   55.282   6.6502   55.282   6.6502   55.282   6.6502  1857.53  115.354  1857.53  115.354 -0.000000 0.000000 
1 1 1  -21    0   47 o  3354.94  140.997  180.390   14.752  180.390   14.752  180.390   14.752  3354.94  140.997  3354.94  140.997 -0.000000 0.000000 
1 1 1  -21    0   49 o  1717.27  118.217   47.497   6.2876   47.497   6.2876   47.497   6.2876  1717.27  118.217  1717.27  118.217 -0.000000 0.000000 
1 1 1  -21    0   51 o  1561.23  116.907   39.489   5.6414   39.489   5.6414   39.489   5.6414  1561.23  116.907  1561.23  116.907 -0.000000 0.000000 
1 1 1  -21    0   53 o  1442.71  120.357   34.030   5.3500   34.030   5.3500   34.030   5.3500  1442.71  120.357  1442.71  120.357 -0.000000 0.000000 
1 1 1  -21    0   55 o  2913.50  134.160  138.329   12.180  138.329   12.180  138.329   12.180  2913.50  134.160  2913.50  134.160 -0.000000 0.000000 
1 1 1  -21    0   57 o  2551.10  128.965  106.290   10.242  106.290   10.242  106.290   10.242  2551.10  128.965  2551.10  128.965 -0.000000 0.000000 
1 1 1  -21    0   59 o  1732.80  122.202   49.324   6.5547   49.324   6.5547   49.324   6.5547  1732.80  122.202  1732.80  122.202 -0.000000 0.000000 
1 1 1  -21    0   61 o  791.581  190.290   12.043   4.0903   12.043   4.0903   12.043   4.0903  791.581  190.290  791.581  190.290 -0.000000 0.000000 
1 1 1  -21    1    2 o  818.042   80.446   10.679   2.0340   9.2373   2.8915   12.091   2.8616  749.130  127.858  864.799  108.033 -115.6694 167.3887 
1 1 1  -21    1    4 o  376.331  111.724   2.2915   1.4120   0.9832   1.9038   3.8911   2.1051  323.655  127.590  484.593  134.157 -160.9378 185.1416 
1 1 1  -21    1    6 o  594.329   94.093   5.7346   1.6928   6.5282   2.4907   5.0533   2.3076  626.702  131.136  550.084  134.982 76.61816 188.1936 
1 1 1  -21    1    8 o  834.005   90.492   11.148   2.3253   15.456   3.8538   8.6819   2.9158  973.490  129.652  724.419  133.462 249.0716 186.0691 
1 1 1  -21    1   10 o  2256.77  113.954   81.531   8.0265   87.518   11.409   75.664   11.294  2315.10  158.335  2145.46  169.500 169.6445 231.9489 
1 1 1  -21    1   12 o  1072.72  103.563   18.489   3.4354   19.500   4.9886   17.577   4.7378  1087.13  150.593  1030.99  151.258 56.14246 213.4417 
1 1 1  -21    1   14 o  1154.35  102.693   21.397   3.6731   22.011   5.2359   20.801   5.1542  1155.88  148.070  1122.34  150.450 33.53601 211.0918 
1 1 1  -21    1   16 o  1557.41  105.901   38.919   5.1337   37.475   7.3385   40.304   7.1842  1506.08  157.964  1567.21  148.155 -61.12830 216.5702 
1 1 1  -21    1   18 o  1278.09  106.002   26.299   4.2039   25.627   5.9542   26.967   5.9363  1241.80  156.611  1276.58  151.464 -34.77393 217.8727 
1 1 1  -21    1   20 o  2294.34   95.194   83.970   6.8389   87.482   11.793   82.190   8.3946  2294.55  165.243  2255.15  119.304 39.39917 203.8106 
1 1 1  -21    1   22 o  1474.01   74.870   34.534   3.4443   29.870   4.8557   39.257   4.8863  1356.44  115.421  1562.71  100.390 -206.2764 152.9711 
1 1 1  -21    1   24 o  1426.32   74.441   32.381   3.3132   35.325   4.6985   29.469   4.6726  1479.51  102.044  1346.65  111.825 132.8568 151.3856 
1 1 1  -21    1   26 o  1056.86   79.714   17.903   2.6185   16.768   3.6462   19.111   3.7629  1008.97  117.618  1079.92  112.949 -70.95471 163.0694 
1 1 1  -21    1   28 o  1856.75   92.770   55.551   5.3936   54.733   6.5573   57.263   9.4837  1825.88  115.285  1821.51  168.174 4.367554 203.8948 
1 1 1  -21    1   30 o  2796.08  105.636  127.721   9.2486  122.621   15.951  130.304   11.352  2604.36  197.057  2794.82  129.714 -190.4609 235.9178 
1 1 1  -21    1   32 o  2008.91   80.891   64.919   5.0883   65.269   7.2540   64.581   7.1393  1982.37  117.386  1973.12  116.065 9.252441 165.0778 
1 1 1  -21    1   34 o  1153.83   92.860   21.728   3.3266   33.578   6.0994   16.711   3.9688  1401.39  140.907  990.978  131.122 410.4144 192.4782 
1 1 1  -21    1   36 o  1691.63  116.243   47.530   6.1199   50.648   8.6893   44.461   8.6209  1698.12  165.523  1577.78  177.583 120.3345 242.7625 
1 1 1  -21    1   38 o  2040.02  119.673   69.506   7.6110   56.705   10.776   82.250   10.751  1747.41  200.577  2168.46  159.460 -421.0493 256.2400 
1 1 1  -21    1   40 o  3271.27  147.251  185.738   15.083  189.387   21.339  182.095   21.323  3117.95  219.980  3042.53  225.418 75.41870 314.9674 
1 1 1  -21    1   42 o  1646.14   93.250   44.675   4.7868   43.968   5.8481   46.109   8.3325  1610.35  116.771  1583.29  170.777 27.05884 206.8826 
1 1 1  -21    1   44 o  1340.25   96.137   29.952   4.0077   27.301   4.9078   35.260   6.9434  1251.49  126.999  1379.21  163.993 -127.7157 207.4187 
1 1 1  -21    1   46 o  1651.02   83.476   44.991   4.3015   45.188   5.9959   44.781   6.1745  1611.94  119.646  1598.33  124.352 13.61304 172.5641 
1 1 1  -21    1   48 o  2216.66   86.712   82.287   6.0186   75.911   8.4404   88.884   8.5846  2039.04  132.923  2228.34  123.517 -189.2955 181.4522 
1 1 1  -21    1   50 o  1850.04  102.290   60.979   5.9026   61.385   10.171   60.772   7.2477  1582.86  210.437  1779.97  130.958 -197.1116 247.8585 
1 1 1  -21    1   52 o  1621.50   85.869   47.021   4.3443   36.972   5.9780   58.268   6.3242  1282.19  151.848  1711.88  118.716 -429.6903 192.7462 
1 1 1  -21    1   54 o  2495.78  102.089  124.387   7.9781  126.857   11.282  121.916   11.283  2154.65  168.571  2079.48  174.908 75.16260 242.9182 
1 1 1  -21    1   56 o  2879.93  127.014  202.813   11.454  194.037   16.189  211.608   16.207  1729.74  310.303  2029.05  261.153 -299.3130 405.5720 
1 1 1  -21    1   58 o  1727.76  464.250  522.389   25.653  510.046   36.244  534.781   36.314  ?   ?   ?   ?  0.000000      ? 
1 1 1  -21    1   60 o  2056.27  251.345  300.337   15.846  284.000   22.377  316.771   22.444  ?   ?   ?   ?  0.000000      ? 
1 1 1  -21    1   62 o  1211.33  353.891  271.171   14.265  265.374   20.165  276.978   20.182  ?   ?   ?   ?  0.000000      ? 
1 1 1  -21    2    1 o  1183.44   74.105   22.198   2.7322   21.352   3.8636   23.044   3.8644  1152.59  108.323  1198.93  103.966 -46.33704 150.1423 
1 1 1  -21    2    3 o  2238.43   90.868   79.427   6.3690   77.817   10.940   80.253   7.8334  2181.63  161.291  2243.03  111.531 -61.39868 196.0970 
1 1 1  -21    2    5 o  274.028  108.068   0.6852   1.3663  -0.5789   2.0354   1.7219   1.8432  273.633  120.903  356.486  128.769 -82.85315 176.6323 
1 1 1  -21    2    7 o  476.316  119.475   3.7675   1.7788   4.3084   2.9018   3.4418   2.2515  515.432  161.600  461.224  141.976 54.20874 215.1085 
1 1 1  -21    2    9 o  1256.74  102.531   25.283   3.9996   27.458   5.6790   23.143   5.6339  1297.40  142.116  1185.09  155.583 112.3126 210.7201 
1 1 1  -21    2   11 o  1457.49  103.369   33.983   4.6869   32.443   6.6684   35.486   6.5889  1405.88  154.000  1474.91  144.526 -69.02856 211.1961 
1 1 1  -21    2   13 o  918.524  109.387   13.650   3.0842   15.435   4.4687   12.026   4.2622  963.759  153.206  843.810  167.225 119.9496 226.7957 
1 1 1  -21    2   15 o  2242.62  115.001   80.779   8.0484   78.684   11.366   82.885   11.398  2182.75  167.583  2243.39  163.381 -60.63647 234.0457 
1 1 1  -21    2   17 o  1059.66  103.799   18.096   3.3999   18.690   4.7343   17.462   4.8857  1062.82  146.123  1022.29  157.700 40.53369 214.9913 
1 1 1  -21    2   19 o  1492.98   84.601   35.506   3.9387   31.034   6.7079   37.858   4.8659  1365.59  159.902  1536.04  101.744 -170.4473 189.5268 
1 1 1  -21    2   21 o  1056.72   74.525   17.777   2.4501   15.289   3.4575   20.288   3.4726  967.766  116.432  1122.15   99.874 -154.3796 153.3994 
1 1 1  -21    2   23 o  907.638   79.104   13.185   2.2257   14.703   3.1566   11.684   3.1386  950.342  107.997  841.020  122.803 109.3217 163.5353 
1 1 1  -21    2   25 o  975.777   80.132   15.261   2.4267   13.887   3.4935   16.543   3.3734  915.285  125.177  1006.72  108.742 -91.43579 165.8137 
1 1 1  -21    2   27 o  1367.50   93.106   30.200   3.9631   28.880   4.8862   32.738   6.7751  1324.43  119.095  1385.28  159.080 -60.85010 198.7208 
1 1 1  -21    2   29 o  894.438   85.703   12.969   2.3709   14.172   3.4751   11.921   3.2429  919.151  123.900  840.351  127.220 78.79926 177.5843 
1 1 1  -21    2   31 o  1530.42   90.537   38.002   4.3193   39.735   7.5059   37.144   5.2814  1509.89  161.253  1498.22  113.421 11.67383 197.1462 
1 1 1  -21    2   33 o  1393.62   91.795   31.598   3.9833   25.163   7.0583   34.605   4.8251  1164.54  200.819  1448.99  107.105 -284.4590 227.5959 
1 1 1  -21    2   35 o  1482.70   92.317   35.747   4.2647   42.711   7.5465   32.479   5.1693  1569.97  155.558  1395.74  119.431 174.2339 196.1174 
1 1 1  -21    2   37 o  982.218  123.663   16.283   3.7190   18.344   5.5829   14.639   4.9865  1002.21  184.709  893.059  184.428 109.1465 261.0194 
1 1 1  -21    2   39 o  1627.51   94.456   43.319   4.7929   44.614   5.9071   40.824   8.1998  1634.10  116.204  1502.14  177.780 131.9579 212.3885 
1 1 1  -21    2   41 f  3026.38  111.950  153.019   10.609  159.395   13.025  140.455   18.284  3042.08  136.743  2663.87  221.204 378.2104 260.0577 
1 1 1  -21    2   43 o  1579.40   93.371   41.258   4.5971   39.093   5.6000   45.732   8.0504  1512.23  119.231  1577.59  165.432 -65.35803 203.9206 
1 1 1  -21    2   45 o  758.474  119.119   10.052   2.7358   10.831   3.3056   8.3595   4.8744  771.841  142.007  626.657  210.439 145.1835 253.8715 
1 1 1  -21    2   47 o  1732.15   82.816   49.609   4.4917   47.348   6.2631   52.004   6.4454  1637.62  123.040  1720.60  120.392 -82.97913 172.1421 
1 1 1  -21    2   49 f  2438.81   89.831  101.251   6.8599   97.640   9.6238  104.981   9.7810  2279.47  135.442  2373.19  132.147 -93.72095 189.2281 
1 1 1  -21    2   51 o  2165.17   89.643   82.771   6.0775   82.828   8.5075   82.712   8.6850  2024.55  134.974  2010.18  138.832 14.37183 193.6294 
1 1 1  -21    2   53 o  1764.97   88.179   57.368   4.8733   52.324   6.7676   62.801   7.0231  1503.93  145.532  1689.03  133.891 -185.0997 197.7530 
1 1 1  -21    2   55 o  1585.49   92.202   49.557   4.5576   48.166   6.3199   51.065   6.5788  1347.85  152.423  1377.56  155.224 -29.70825 217.5483 
1 1 1  -21    2   57 o  867.721  119.888   18.371   3.1704   16.342   4.1700   21.150   4.8806  596.155  194.443  638.901  210.455 -42.74561 286.5304 
1 1 1  -21    2   59 o  2489.33  162.058  225.779   12.563  214.532   17.668  237.283   17.868  562.754  277.710  667.873  316.925 -105.1197 421.3834 
1 1 1  -21    2   61 f  ?   ?   464.596   23.189  448.126   32.738  481.177   32.849  ?   ?   ?   ?  0.000000      ? 
1 1 1  -21    3    2 o  2025.19   89.941   65.010   5.7035   66.745   9.8122   64.125   7.0092  2021.85  156.201  2001.56  112.290 20.29016 192.3743 
1 1 1  -21    3    4 o  128.406   64.168  -2.9024   1.0675  -2.5291   1.7066  -3.1424   1.3681  196.289   94.430  154.157   76.293 42.13203 121.3991 
1 1 1  -21    3    6 o  1455.43   84.097   33.626   3.8162   35.247   6.5419   32.790   4.6986  1471.30  143.838  1431.51  105.567 39.79077 178.4203 
1 1 1  -21    3    8 o  1123.81   98.000   20.208   3.4140   28.085   5.0543   13.599   4.6299  1318.59  123.867  899.003  170.716 419.5912 210.9192 
1 1 1  -21    3   10 f  1496.18  103.954   35.803   4.8399   37.160   6.9106   34.497   6.7806  1508.35  148.232  1451.53  151.413 56.82324 211.8936 
1 1 1  -21    3   12 o  866.623  103.516   12.124   2.7534   11.497   3.8652   12.771   3.9234  828.895  154.608  876.781  148.187 -47.88538 214.1564 
1 1 1  -21    3   14 o  1103.50  101.355   19.555   3.4630   20.106   4.9010   19.007   4.8939  1104.99  145.159  1072.18  149.868 32.80884 208.6426 
1 1 1  -21    3   16 o  465.502  110.497   3.6028   1.5865   1.7306   2.4713   4.9152   2.0691  384.603  147.080  542.379  124.473 -157.7755 192.6811 
1 1 1  -21    3   18 o  2298.09   93.232   84.067   6.7089   85.301   11.542   83.437   8.2446  2271.62  163.363  2276.50  116.045 -4.878906 200.3844 
1 1 1  -21    3   20 o  400.457  111.441   2.6520   1.4486   2.3585   2.0586   2.9398   2.0387  396.458  136.699  427.402  135.638 -30.94427 192.5732 
1 1 1  -21    3   22 o  2480.73   83.735   97.880   6.5044   95.984   9.2098   99.768   9.1873  2436.10  120.737  2485.41  118.052 -49.31128 168.8595 
1 1 1  -21    3   24 o  1615.65   76.311   41.472   3.8606   43.040   5.5605   40.013   5.3641  1630.03  109.580  1571.36  109.709 58.67419 155.0609 
1 1 1  -21    3   26 o  1322.02   91.012   28.145   3.7446   31.284   4.6926   22.640   6.2131  1385.98  109.007  1140.00  180.032 245.9779 210.4614 
1 1 1  -21    3   28 o  482.730  119.938   3.9704   1.8049   5.3529   2.9081   3.1042   2.3018  553.175  159.267  436.082  144.574 117.0934 215.0989 
1 1 1  -21    3   30 o  1383.12   90.366   31.005   3.8922   39.080   6.9833   27.366   4.6878  1511.05  149.556  1283.82  117.931 227.2330 190.4595 
1 1 1  -21    3   32 o  1754.38   92.531   49.977   5.0651   44.297   8.9108   52.688   6.1564  1571.00  184.668  1787.98  110.504 -216.9827 215.2054 
1 1 1  -21    3   34 o  410.687  152.081   2.4603   2.5955   0.0000   0.0000   2.4603   2.5955  ?   ?   410.687  152.081 0.000000 152.0805 
1 1 1  -21    3   36 o  3310.31   99.795  178.497   10.344  180.422   14.659  176.589   14.599  3261.06  143.559  3224.44  144.591 36.62183 203.7543 
1 1 1  -21    3   38 o  2581.06  103.015  109.122   8.3257  105.172   10.216  116.937   14.368  2497.32  131.098  2553.24  180.882 -55.91113 223.3943 
1 1 1  -21    3   40 o  3662.98  126.371  226.643   14.494  228.725   17.763  222.496   25.074  3608.18  157.220  3314.12  243.324 294.0566 289.6977 
1 1 1  -21    3   42 o  1055.74  102.585   18.631   3.3484   18.252   4.0959   19.393   5.8139  1025.55  130.507  1004.62  191.815 20.92804 232.0024 
1 1 1  -21    3   44 o  5270.47  181.032  526.473   29.876  536.344   36.593  506.739   51.740  5048.03  231.503  3824.85  440.031 1223.176 497.2133 
1 1 1  -21    3   46 o  884.408  110.711   13.495   2.9987   13.215   3.6040   14.124   5.4061  852.920  139.792  811.328  210.863 41.59113 252.9921 
1 1 1  -21    3   48 o  1057.91   90.458   18.959   2.9677   20.131   4.1669   17.752   4.2275  1050.88  129.364  971.545  143.265 79.33954 193.0283 
1 1 1  -21    3   50 o  1550.59   85.361   41.363   4.1286   39.944   5.7251   42.901   5.9593  1446.41  127.721  1497.93  128.291 -51.52759 181.0280 
1 1 1  -21    3   52 o  967.779  101.286   17.637   3.0239   12.934   4.2171   22.614   4.3383  681.023  190.364  1027.37  138.376 -346.3481 235.3434 
1 1 1  -21    3   54 o  1837.40   90.647   64.313   5.2153   61.506   7.2625   67.302   7.4939  1577.11  148.823  1663.30  145.347 -86.19653 208.0242 
1 1 1  -21    3   56 o  985.080  110.813   21.622   3.3587   21.959   4.5055   21.201   5.0392  812.071  181.723  680.291  212.900 131.7792 279.9103 
1 1 1  -21    3   58 o  2108.83  112.023  108.577   7.3706  104.649   10.315  112.676   10.536  1332.57  256.515  1442.98  241.732 -110.4021 352.4689 
1 1 1  -21    3   60 o  206.465  101.466   0.0252   2.2783  -0.5629   3.0664   0.7500   3.4041  210.289  105.607  224.249  112.433 -13.96053 154.2528 
1 1 1  -21    4    1 o  294.711  112.360   0.9775   1.4395   2.1751   2.4420   0.3397   1.7821  403.743  147.849  287.832  119.710 115.9114 190.2364 
1 1 1  -21    4    3 o  897.474   89.193   12.884   2.4733   12.965   4.0883   12.838   3.1062  882.873  153.456  889.900  114.102 -7.027100 191.2277 
1 1 1  -21    4    5 o  413.858  120.607   2.7961   1.6586  -1.0317   2.8635   4.7287   2.0347  317.399  141.637  533.043  124.208 -215.6437 188.3844 
1 1 1  -21    4    7 o  553.343  120.200   5.0807   2.0231   3.9952   2.7303   6.4022   3.0125  497.518  156.870  616.451  155.952 -118.9336 221.1989 
1 1 1  -21    4    9 o  688.659  110.986   7.7466   2.3119   7.9409   3.3788   7.5755   3.1703  685.620  160.260  670.669  154.188 14.95074 222.3894 
1 1 1  -21    4   11 o  1051.40  101.952   17.752   3.3142   16.442   4.6799   19.069   4.6942  995.299  155.229  1077.75  142.603 -82.44922 210.7882 
1 1 1  -21    4   13 o  232.030   99.065  -0.0101   1.2727   1.1553   1.8218  -1.1210   1.7788  326.398  125.911  236.711  108.036 89.68712 165.9078 
1 1 1  -21    4   15 o  988.668   84.375   15.602   2.5871   13.333   4.3347   16.858   3.2243  890.716  161.359  1023.60  101.953 -132.8895 190.8691 
1 1 1  -21    4   17 o  797.477   91.161   10.235   2.2355   11.691   3.7299   9.4184   2.7926  836.409  147.822  756.487  122.049 79.92151 191.6961 
1 1 1  -21    4   19 o  286.925  107.071   1.0155   1.2914   3.2548   1.7644  -1.5684   1.8953  442.624  122.925  233.726  108.412 208.8980 163.9013 
1 1 1  -21    4   21 o  1031.81   76.089   16.964   2.4410   15.703   3.4384   18.246   3.4659  981.813  113.963  1061.98  105.628 -80.16376 155.3860 
1 1 1  -21    4   23 o  2121.21   80.802   71.547   5.3669   75.632   7.6917   67.672   7.4921  2161.75  114.035  2042.39  117.650 119.3606 163.8459 
1 1 1  -21    4   25 o  2039.42   78.863   66.222   5.0361   72.088   7.2448   60.738   7.0055  2108.61  110.109  1931.16  116.397 177.4500 160.2254 
1 1 1  -21    4   27 o  231.003  104.362  -0.7697   1.6087  -9.2647   4.0645   0.8082   1.7517  259.744  129.058  302.496  121.355 -42.75272 177.1521 
1 1 1  -21    4   29 o  3901.81  126.679  252.132   15.477  282.390   26.958  237.255   18.903  3913.79  220.876  3720.37  162.264 193.4194 274.0723 
1 1 1  -21    4   31 o  1046.15   95.306   17.864   3.0878   16.806   5.6335   18.319   3.6917  956.603  194.694  1050.43  114.072 -93.83014 225.6508 
1 1 1  -21    4   33 o  3422.17  146.679  198.706   15.718   0.0000   0.0000  198.706   15.718  ?   ?   3422.17  146.679 0.000000 146.6789 
1 1 1  -21    4   35 o  363.230  132.846   1.8865   1.9706   1.6775   3.0985   2.0285   2.5536  400.022  161.074  391.840  149.589 8.182709 219.8226 
1 1 1  -21    4   37 o  895.825   93.607   13.137   2.5869   13.577   3.7653   12.743   3.5603  888.237  140.018  861.945  136.456 26.29138 195.5132 
1 1 1  -21    4   39 o  266.929  121.699  -1.1296   2.2497   0.6229   2.7614  -4.5888   3.8795  347.496  147.047  299.099  143.499 48.39679 205.4629 
1 1 1  -21    4   41 o  1338.60   98.001   29.593   4.0792   27.699   5.0998   32.955   6.7966  1270.32  130.043  1353.49  163.696 -83.17212 209.0636 
1 1 1  -21    4   43 o  759.243  124.577   10.038   2.8589   10.513   3.4717   9.0368   5.0394  760.221  151.163  661.344  213.612 98.87701 261.6876 
1 1 1  -21    4   45 o  1056.63   98.779   18.750   3.2303   14.991   3.9425   26.427   5.6344  911.663  142.798  1203.13  153.022 -291.4683 209.3012 
1 1 1  -21    4   47 o  1539.53   97.584   40.105   4.6799   42.469   5.7089   35.262   8.1713  1558.20  117.878  1286.24  210.144 271.9618 240.9481 
1 1 1  -21    4   49 o  2910.34   98.638  146.948   8.9889  140.781   12.682  153.173   12.742  2673.16  152.142  2814.60  145.077 -141.4424 210.2246 
1 1 1  -21    4   51 o  2403.73   92.427  103.035   6.9567   98.553   9.7654  107.653   9.9127  2165.91  144.824  2286.03  139.144 -120.1147 200.8364 
1 1 1  -21    4   53 o  1457.17   87.297   39.086   3.9648   37.127   5.5750   41.091   5.6396  1276.09  141.927  1366.42  133.516 -90.32019 194.8590 
1 1 1  -21    4   55 o  2003.81   95.764   80.252   6.0086   74.889   8.4560   85.721   8.5396  1598.21  171.661  1791.16  153.750 -192.9440 230.4490 
1 1 1  -21    4   57 o  2630.54  123.801  173.321   10.197  170.893   14.379  175.777   14.464  1606.10  296.858  1672.69  286.450 -66.59644 412.5264 
1 1 1  -21    4   59 o  1889.83  162.516  129.057   9.5234  128.121   11.622  130.970   16.614  1111.92  317.874  ?   ?  0.000000 317.8736 
1 1 1  -21    4   61 o  1431.68  237.699  143.390   10.282  136.603   12.589  156.989   17.821  469.730  232.286  ?   ?  0.000000 232.2862 
1 1 1  -21    5    2 o  1930.76   86.851   59.032   5.2507   54.353   8.9724   61.468   6.4753  1822.59  158.805  1962.15  105.784 -139.5532 190.8125 
1 1 1  -21    5    4 o  738.559   97.621   8.8062   2.2023   10.394   3.4684   7.7341   2.8506  790.835  145.424  681.562  138.299 109.2733 200.6858 
1 1 1  -21    5    6 f  237.054  102.110  -0.1066   1.3742  -1.0949   1.7551   1.4597   2.2094  235.716  107.478  361.530  138.873 -125.8140 175.6051 
1 1 1  -21    5    8 o  1153.13  102.979   21.316   3.6792   24.349   5.2317   18.349   5.1750  1221.85  139.230  1050.68  162.547 171.1757 214.0245 
1 1 1  -21    5   10 o  978.613  104.191   15.412   3.1436   14.592   4.3562   16.303   4.5410  937.268  153.765  992.845  150.811 -55.57764 215.3778 
1 1 1  -21    5   12 o  1543.08  103.757   38.092   4.9842   40.152   7.0728   36.060   7.0248  1568.60  145.664  1482.52  153.552 86.07776 211.6508 
1 1 1  -21    5   14 o  671.510   86.318   7.2614   1.7730   7.6845   2.6440   6.9157   2.3899  680.721  128.759  646.488  122.546 34.23260 177.7536 
1 1 1  -21    5   16 o  1741.30   73.967   47.934   4.0330   52.902   5.7734   43.199   5.6361  1818.82  101.782  1639.93  110.401 178.8921 150.1602 
1 1 1  -21    5   18 o  1232.93   75.827   24.147   2.9132   19.803   4.1644   28.310   4.0768  1102.81  122.675  1329.02   98.669 -226.2075 157.4318 
1 1 1  -21    5   20 o  1643.04   74.113   42.743   3.8129   49.363   5.5557   36.848   5.2425  1754.37  101.568  1511.09  111.587 243.2738 150.8903 
1 1 1  -21    5   22 o  2292.68   81.183   83.528   5.8281   92.181   8.3462   75.294   8.1419  2392.96  111.387  2154.24  121.194 238.7268 164.6060 
1 1 1  -21    5   24 o  2815.84   90.188  126.733   7.9520  123.914   11.271  129.528   11.221  2753.48  130.722  2818.36  127.153 -64.87793 182.3623 
1 1 1  -21    5   26 o  956.660   94.897   14.844   2.8052   16.381   5.5147   14.307   3.2582  959.882  190.204  931.986  114.026 27.89642 221.7646 
1 1 1  -21    5   28 o  879.569  102.262   12.688   2.7639   11.952   5.3062   12.962   3.2378  801.742  209.164  881.677  120.429 -79.93475 241.3565 
1 1 1  -21    5   30 o  920.310   95.749   13.833   2.7188   19.356   5.1493   11.699   3.2015  1054.67  161.030  832.643  126.797 222.0261 204.9589 
1 1 1  -21    5   32 f  461.756  149.509   3.5836   2.4675   0.0000   0.0000   3.5836   2.4675  ?   ?   461.756  149.509 0.000000 149.5088 
1 1 1  -21    5   34 o  3009.11   93.946  146.334   8.8518  150.191   12.557  142.525   12.480  3000.93  133.631  2919.42  136.525 81.50439 191.0401 
1 1 1  -21    5   36 o  1183.98   83.480   22.631   3.0751   25.380   4.5052   20.233   4.2077  1236.30  117.803  1099.13  124.451 137.1689 171.3638 
1 1 1  -21    5   38 o  5635.60  151.308  544.872   26.701  553.390   37.785  536.376   37.735  5408.68  223.107  5308.79  227.006 99.89648 318.2899 
1 1 1  -21    5   40 o  1564.17   96.094   40.129   4.6837   40.691   5.7847   39.060   7.9807  1555.98  119.648  1466.95  177.344 89.02930 213.9308 
1 1 1  -21    5   42 o  4160.18  141.231  300.473   18.398  307.582   22.524  286.220   31.890  4101.35  175.385  3540.36  290.221 560.9858 339.0989 
1 1 1  -21    5   44 o  2164.39  100.197   77.869   6.7906   79.216   8.2307   74.998   12.017  2149.40  122.802  1960.99  198.437 188.4052 233.3613 
1 1 1  -21    5   46 o  1717.59   95.605   49.359   5.1215   49.789   6.2258   48.460   9.0074  1697.19  117.883  1569.08  187.016 128.1029 221.0685 
1 1 1  -21    5   48 o  2175.53   99.980   81.102   6.8108   75.549   8.2943   92.595   11.933  2035.96  130.797  2123.29  181.224 -87.33411 223.4952 
1 1 1  -21    5   50 o  1234.02  103.400   27.454   3.9585   25.602   4.6945   32.011   7.3641  1143.66  133.609  1113.42  219.028 30.23840 256.5632 
1 1 1  -21    5   52 o  1751.25   88.298   55.425   4.8263   50.968   6.6440   60.404   7.0226  1534.21  139.838  1689.61  133.833 -155.3955 193.5610 
1 1 1  -21    5   54 o  285.621  126.859   1.2884   2.2694   2.4031   3.0526  -0.0889   3.3932  323.147  145.072  280.597  134.511 42.55011 197.8367 
1 1 1  -21    5   56 o  1223.66  121.284   35.148   4.5859   28.841   5.5295   49.046   8.2076  863.952  207.094  885.850  270.810 -21.89801 340.9189 
1 1 1  -21    5   58 o  759.091  154.759   18.186   3.5537   16.039   4.2656   23.060   6.4251  525.797  194.911  428.727  199.121 97.07062 278.6391 
1 1 1  -21    5   60 o  1656.14  161.943  105.514   8.2905  100.397   10.125  115.926   14.442  806.344  300.018  ?   ?  0.000000 300.0180 
1 1 1  -21    6    1 f  1160.39   73.926   21.339   2.6721   20.960   3.7700   21.721   3.7879  1142.60  106.605  1163.71  105.085 -21.11719 149.6916 
1 1 1  -21    6    3 o  975.142   87.764   15.176   2.6511   13.360   3.2880   18.549   4.4817  907.105  118.601  1065.50  137.539 -158.3937 181.6129 
1 1 1  -21    6    5 o  1058.79   85.469   17.854   2.8094   22.117   3.5001   10.133   4.7103  1176.78   95.821  768.537  195.325 408.2445 217.5625 
1 1 1  -21    6    7 o  916.411   89.754   13.430   2.5424   13.693   3.1825   12.966   4.2269  919.943  112.848  881.349  159.016 38.59406 194.9895 
1 1 1  -21    6    9 o  812.189   96.043   10.613   2.3952   11.178   3.0335   9.6768   3.9035  827.726  120.583  755.986  169.130 71.74011 207.7146 
1 1 1  -21    6   11 o  1352.63   75.189   28.986   3.1720   30.148   4.5304   27.870   4.4427  1371.62  106.315  1317.79  108.634 53.82166 152.0009 
1 1 1  -21    6   13 o  719.447   85.933   8.3134   1.8976   10.102   2.7379   6.6602   2.6323  787.236  114.421  631.107  137.124 156.1282 178.5921 
1 1 1  -21    6   15 f  639.454   93.337   6.6273   1.8138   7.1746   2.5590   6.0747   2.5713  657.042  128.985  601.526  139.264 55.51550 189.8197 
1 1 1  -21    6   17 o  634.626   93.136   6.5343   1.7957   4.7192   2.4768   8.5456   2.6073  530.240  145.003  720.578  119.758 -190.3384 188.0636 
1 1 1  -21    6   19 o  1303.75   74.310   26.986   3.0210   31.905   4.4580   22.808   4.1081  1409.82  101.669  1187.60  111.789 222.2239 151.1067 
1 1 1  -21    6   21 o  905.656   82.831   13.136   2.3229   14.452   3.4643   12.060   3.1311  939.164  120.588  856.904  119.985 82.26013 170.1118 
1 1 1  -21    6   23 f  1257.29   87.873   25.329   3.4377   23.297   6.2939   26.194   4.1039  1165.45  178.123  1272.96  103.865 -107.5067 206.1939 
1 1 1  -21    6   25 o  680.387  148.582   7.9551   3.0768   7.0901   4.2423   8.9150   4.4689  634.258  194.830  705.523  195.525 -71.26501 276.0231 
1 1 1  -21    6   27 o  814.149  103.189   10.877   2.5715   8.6023   5.0847   11.659   2.9809  685.999  213.725  838.150  116.751 -152.1505 243.5350 
1 1 1  -21    6   29 o  1481.46   78.163   35.166   3.6130   39.154   5.2700   31.629   4.9629  1546.77  109.518  1386.15  115.391 160.6199 159.0886 
1 1 1  -21    6   31 o  239.051  108.460  -0.8972   1.7594  -3.2481   3.5821  -0.1497   2.0199  307.514  144.707  282.219  122.672 25.29465 189.7066 
1 1 1  -21    6   33 o  2900.41  106.321  136.805   9.6560  156.936   16.880  127.014   11.772  2999.32  180.577  2761.99  136.120 237.3335 226.1348 
1 1 1  -21    6   35 o  875.442   92.439   12.485   2.4956   19.111   3.8419   7.6487   3.2825  1074.16  116.069  657.484  160.779 416.6760 198.2975 
1 1 1  -21    6   37 o  1933.72   81.677   60.047   4.9455   61.495   7.0541   58.647   6.9353  1928.36  117.384  1882.29  118.270 46.07605 166.6340 
1 1 1  -21    6   39 o  2790.47   92.278  126.464   8.0629  131.110   11.440  121.879   11.366  2790.84  130.911  2681.08  135.828 109.7529 188.6446 
1 1 1  -21    6   41 o  1228.57  101.844   24.996   3.8826   24.406   4.7708   26.153   6.6811  1194.19  129.670  1187.06  185.843 7.136230 226.6096 
1 1 1  -21    6   43 o  2003.23   95.873   66.078   6.0137   65.466   7.3270   67.342   10.527  1964.40  119.689  1906.06  178.459 58.33398 214.8790 
1 1 1  -21    6   45 o  2767.83  107.905  128.977   9.3519  124.339   11.418  138.433   16.301  2657.52  137.682  2655.03  197.493 2.492188 240.7487 
1 1 1  -21    6   47 o  2450.63  104.226  102.409   7.9978   96.805   9.7696  113.795   13.926  2316.41  135.281  2368.28  189.377 -51.87061 232.7329 
1 1 1  -21    6   49 o  1229.72  102.664   26.703   3.9170   22.667   4.6551   36.490   7.2492  1081.59  140.788  1292.61  184.326 -211.0267 231.9421 
1 1 1  -21    6   51 o  4136.37  198.056  444.270   25.652  425.823   31.367  481.522   44.574  3201.72  317.045  1076.20  507.647 2125.522 598.5174 
1 1 1  -21    6   53 o  2310.49  117.967  110.142   8.5062  109.164   10.386  112.134   14.824  2106.79  158.607  1404.50  340.578 702.2855 375.6988 
1 1 1  -21    6   55 o  328.885  142.614   3.0569   2.7169   4.0474   3.1493   0.1743   5.3726  350.225  152.693  297.121  147.753 53.10419 212.4758 
1 1 1  -21    6   57 o  974.404  133.401   24.736   3.9633   22.559   4.7882   29.475   7.0630  728.808  202.535  533.593  230.661 195.2148 306.9607 
1 1 1  -21    6   59 o  1172.39  137.995   41.172   4.9689   43.195   5.9789   36.655   8.9340  966.192  204.027  363.845  182.384 602.3475 273.6621 
1 1 1  -21    6   61 o  1409.28  177.914   91.922   7.6761   90.741   9.3007   94.444   13.594  672.269  275.938  ?   ?  0.000000 275.9382 
1 1 1  -21    7    2 o  1333.10   84.773   28.230   3.5203   31.308   4.3495   22.385   5.9938  1400.40   99.845  1160.49  169.986 239.9099 197.1399 
1 1 1  -21    7    4 o  313.574  114.201   1.2919   1.4541   1.6802   1.7962   0.5536   2.4767  352.200  127.132  340.933  141.405 11.26691 190.1523 
1 1 1  -21    7    6 o  1727.13   87.460   47.346   4.7145   48.976   5.8117   44.208   8.0623  1751.01  106.504  1643.36  158.649 107.6453 191.0827 
1 1 1  -21    7    8 o  291.654  113.322   0.8656   1.4839   1.3516   1.8943   0.0936   2.3875  340.327  129.097  319.677  136.064 20.64960 187.5615 
1 1 1  -21    7   10 o  879.121   78.904   12.311   2.1489   13.296   3.0306   11.314   3.0475  907.210  108.860  832.921  120.336 74.28943 162.2689 
1 1 1  -21    7   12 o  1108.50   74.986   19.495   2.5874   22.088   3.7080   17.035   3.6122  1173.96  101.882  1026.60  114.313 147.3627 153.1254 
1 1 1  -21    7   14 o  1259.30   74.396   25.141   2.9205   22.661   4.1446   27.587   4.1161  1185.56  113.013  1312.72  100.911 -127.1584 151.5095 
1 1 1  -21    7   16 o  1852.21   76.918   54.270   4.4610   62.559   6.4643   46.733   6.1641  1977.34  104.780  1703.91  116.227 273.4294 156.4851 
1 1 1  -21    7   18 o  1348.93   77.075   28.899   3.2420   27.994   4.6788   29.735   4.4965  1316.29  114.662  1359.73  106.460 -43.43982 156.4644 
1 1 1  -21    7   20 o  1650.31   87.213   43.427   4.4907   52.291   7.9899   39.334   5.4295  1784.39  144.232  1561.24  111.804 223.1493 182.4911 
1 1 1  -21    7   22 o  3122.76  108.780  156.866   10.637  151.669   18.433  159.461   13.024  2973.79  199.105  3127.89  132.975 -154.0969 239.4270 
1 1 1  -21    7   24 o  3264.57  140.755  175.597   14.388  184.322   20.375  166.918   20.321  3257.76  200.717  3082.65  211.808 175.1042 291.8049 
1 1 1  -21    7   26 o  873.319   98.331   12.421   2.6422   16.180   5.1164   11.054   3.0854  961.995  176.352  813.607  125.117 148.3881 216.2277 
1 1 1  -21    7   28 o  2582.97   86.501  106.922   6.9961  114.910  10.0000   99.265   9.7910  2649.05  120.561  2452.57  127.937 196.4783 175.7923 
1 1 1  -21    7   30 o  1489.75   93.045   35.841   4.3186   31.374   7.5934   37.977   5.2505  1334.07  186.906  1524.10  110.777 -190.0240 217.2681 
1 1 1  -21    7   32 o  3271.16   98.190  172.665   10.057  178.655   14.257  166.731   14.190  3279.02  138.853  3161.72  143.334 117.2954 199.5618 
1 1 1  -21    7   34 o  1603.26   92.219   41.488   4.6101   50.379   8.1639   37.326   5.5859  1723.91  152.825  1505.19  119.502 218.7158 194.0009 
1 1 1  -21    7   36 o  1453.85   82.389   33.986   3.7352   29.186   5.3084   38.693   5.2567  1321.24  129.995  1536.11  110.017 -214.8730 170.3009 
1 1 1  -21    7   38 o  2063.32   83.371   68.507   5.3864   69.283   7.6604   67.748   7.5753  2042.37  120.316  2019.54  120.338 22.82751 170.1682 
1 1 1  -21    7   40 o  1616.51   94.937   42.717   4.7843   48.092   5.8541   31.905   8.3022  1703.07  110.371  1293.74  212.309 409.3378 239.2839 
1 1 1  -21    7   42 o  1401.77   98.813   32.437   4.3094   32.369   5.2786   32.573   7.4621  1380.78  123.390  1324.87  184.915 55.90869 222.3025 
1 1 1  -21    7   44 o  859.292  123.660   12.769   3.2314   10.369   3.9201   17.855   5.7079  740.919  172.239  955.631  197.291 -214.7125 261.8969 
1 1 1  -21    7   46 f  1932.27   99.385   62.741   5.9928   56.507   7.3452   75.155   10.364  1787.53  132.167  1995.72  167.399 -208.1937 213.2849 
1 1 1  -21    7   48 o  1632.51   99.942   46.001   5.0842   42.855   6.1465   52.817   9.0475  1528.38  129.656  1583.00  186.079 -54.62134 226.7958 
1 1 1  -21    7   50 o  848.483  153.634   15.178   3.9315   15.178   3.9315   0.0000   0.0000  848.483  153.634  ?   ?  0.000000 153.6342 
1 1 1  -21    7   52 o  1232.99  112.167   29.801   4.2832   29.609   5.1149   30.251   7.8361  1158.40  144.129  839.602  265.866 318.7997 302.4201 
1 1 1  -21    7   54 o  1046.18  120.383   23.564   3.8717   18.684   4.6089   35.263   7.1363  779.555  190.444  934.840  241.928 -155.2850 307.8932 
1 1 1  -21    7   56 o  880.020  142.196   20.064   3.7847   16.881   4.4837   27.953   7.0584  634.199  201.139  580.709  239.607 53.48981 312.8397 
1 1 1  -21    7   58 o  1000.01  139.571   28.252   4.2512   28.222   5.0753   28.320   7.7829  810.937  200.907  409.678  198.204 401.2595 282.2203 
1 1 1  -21    7   60 o  1565.97  149.405   84.941   7.2371   76.050   8.7567  104.102   12.855  792.176  281.278  418.121  210.765 374.0542 351.4814 
1 1 1  -21    8    1 o  1533.76   86.226   37.352   4.1243   38.449   5.0876   35.250   7.0437  1550.89  105.390  1466.83  155.739 84.06299 188.0470 
1 1 1  -21    8    3 o  738.601   97.640   8.8041   2.2028   11.916   2.7549   3.2871   3.6681  859.533  104.509  492.074  181.051 367.4590 209.0495 
1 1 1  -21    8    5 o  764.855   94.691   9.4143   2.2193   9.1486   2.7384   9.9228   3.7884  747.520  121.140  768.033  162.594 -20.51282 202.7603 
1 1 1  -21    8    7 o  297.139  107.547   1.1729   1.2867  -0.9758   1.7957   3.4400   1.8446  242.675  109.891  456.267  125.285 -213.5912 166.6503 
1 1 1  -21    8    9 o  869.141   80.762   12.042   2.1728   12.663   3.0812   11.428   3.0645  883.920  113.978  837.325  120.340 46.59430 165.7487 
1 1 1  -21    8   11 o  482.005  111.107   3.8506   1.6425   0.4909   2.3416   7.1054   2.3047  330.371  137.297  657.690  116.158 -327.3195 179.8420 
1 1 1  -21    8   13 o  860.973   83.768   11.844   2.2297   14.987   3.3960   9.4618   2.9562  961.791  115.047  757.503  129.270 204.2875 173.0508 
1 1 1  -21    8   15 o  793.473   85.722   10.092   2.0960   17.047   3.2412   5.0931   2.7478  1029.65  101.866  550.973  153.542 478.6752 184.2606 
1 1 1  -21    8   17 o  456.241  121.811   3.4639   1.7729   5.0864   2.8485   2.4380   2.2650  550.264  157.390  408.283  143.238 141.9811 212.8114 
1 1 1  -21    8   19 o  1716.00   89.528   46.962   4.7938   49.313   8.5090   45.869   5.8023  1725.27  159.307  1687.86  110.395 37.41223 193.8190 
1 1 1  -21    8   21 o  497.987  130.169   4.1754   2.0525   6.0670   4.0026   3.5006   2.3907  598.629  190.062  463.373  146.863 135.2561 240.1925 
1 1 1  -21    8   23 o  1211.96  119.585   24.023   4.4790   24.475   6.3188   23.566   6.3499  1196.38  173.757  1170.73  178.895 25.64099 249.3891 
1 1 1  -21    8   25 o  1788.86   77.704   50.931   4.3525   46.299   6.1785   55.494   6.1324  1684.18  117.904  1851.46  106.224 -167.2852 158.6972 
1 1 1  -21    8   27 o  494.970  123.175   4.1554   1.9014   1.0647   2.7977   6.8085   2.5921  370.380  151.604  632.125  135.057 -261.7448 203.0374 
1 1 1  -21    8   29 o  660.232  104.244   7.1963   2.0836   8.2686   3.0771   6.2884   2.8314  693.827  146.245  602.691  150.491 91.13654 209.8458 
1 1 1  -21    8   31 o  1719.29   79.539   47.133   4.2820   46.659   6.1081   47.590   6.0045  1689.90  116.138  1708.72  112.861 -18.81775 161.9428 
1 1 1  -21    8   33 o  684.920  110.799   7.7856   2.2951   8.7128   3.3579   6.9726   3.1442  708.648  155.592  631.995  159.015 76.65332 222.4743 
1 1 1  -21    8   35 o  600.381  140.438   6.2192   2.5931   11.662   4.6278   3.7282   3.1308  804.986  187.147  482.507  168.453 322.4793 251.7945 
1 1 1  -21    8   37 o  1058.61   87.907   18.152   2.8876   20.498   4.0712   15.777   4.0962  1110.64  118.914  962.202  140.066 148.4356 183.7359 
1 1 1  -21    8   39 o  2255.23   99.315   82.878   7.0133   86.638   8.6054   75.439   12.103  2281.83  120.871  2040.49  191.668 241.3348 226.5976 
1 1 1  -21    8   41 o  1375.67  124.189   31.951   5.2918   31.951   5.2918   0.0000   0.0000  1375.67  124.189  ?   ?  0.000000 124.1891 
1 1 1  -21    8   43 o  1250.63  101.159   25.938   3.9275   22.889   4.8040   32.083   6.8203  1148.98  136.178  1331.47  167.283 -182.4904 215.7034 
1 1 1  -21    8   45 o  2765.00  110.438  128.987   9.5616  133.138   11.679  120.550   16.652  2760.14  135.130  2418.72  222.357 341.4221 260.1971 
1 1 1  -21    8   47 o  2040.86  128.987   74.723   8.2004   74.723   8.2004   0.0000   0.0000  2040.86  128.987  ?   ?  0.000000 128.9867 
1 1 1  -21    8   49 o  1775.13  132.865   60.248   7.3316   60.248   7.3316   0.0000   0.0000  1775.13  132.865  ?   ?  0.000000 132.8653 
1 1 1  -21    8   51 o  1991.63  140.209   83.109   8.6880   83.109   8.6880   0.0000   0.0000  1991.63  140.209  ?   ?  0.000000 140.2088 
1 1 1  -21    8   53 o  522.132  162.310   7.3330   2.9344   7.1412   3.5378   7.7560   5.2531  474.857  177.214  431.387  192.219 43.47073 261.4443 
1 1 1  -21    8   55 o  626.717  164.179   11.305   3.2604   12.182   3.8305   8.9970   6.2117  590.374  185.759  380.643  182.346 209.7305 260.3006 
1 1 1  -21    8   57 o  652.382  165.001   13.638   3.3729   11.929   3.9450   18.280   6.5031  494.690  186.627  420.796  197.041 73.89404 271.3938 
1 1 1  -21    8   59 o  1012.87  143.847   31.337   4.4340   27.913   5.2658   39.680   8.2197  672.535  218.461  438.539  209.995 233.9965 303.0231 
1 1 1  -21    9    2 o  209.433   94.769  -0.7277   1.3327  -1.2807   1.6575   0.2836   2.2416  222.034  102.421  316.875  133.200 -94.84053 168.0242 
1 1 1  -21    9    4 o  621.106   94.274   6.2513   1.7759   7.8099   2.5528   4.7897   2.4721  689.005  122.831  535.820  144.175 153.1859 189.4037 
1 1 1  -21    9    6 o  1478.08   75.203   34.575   3.4691   35.061   4.9092   34.090   4.9029  1480.55  106.607  1459.37  108.060 21.17151 151.7955 
1 1 1  -21    9    8 o  566.999  103.371   5.2655   1.7676   5.3340   2.4968   5.1966   2.5028  564.559  141.513  557.292  142.784 7.267395 201.0303 
1 1 1  -21    9   10 o  825.969   86.472   10.916   2.2033   14.753   3.3590   8.0186   2.9189  954.807  114.644  693.994  139.167 260.8130 180.3074 
1 1 1  -21    9   12 o  1488.33   75.836   35.085   3.5225   37.849   5.0813   32.526   4.8875  1537.71  106.181  1423.63  110.507 114.0802 153.2525 
1 1 1  -21    9   14 o  303.369  115.066   1.0667   1.5048   0.7424   2.2977   1.3102   1.9912  336.631  137.544  343.010  131.819 -6.379547 190.5113 
1 1 1  -21    9   16 o  487.407  130.359   3.9649   2.0282   5.5837   3.7406   3.2909   2.4139  580.691  183.669  455.194  147.913 125.4967 235.8232 
1 1 1  -21    9   18 o  1635.44   89.213   42.644   4.5513   44.997   8.1521   41.578   5.4859  1648.19  159.974  1607.45  109.646 40.74451 193.9429 
1 1 1  -21    9   20 o  1133.54   91.854   20.608   3.2322   18.547   5.9800   21.459   3.8418  1035.27  191.525  1151.78  107.776 -116.5079 219.7674 
1 1 1  -21    9   22 o  718.228  116.813   8.5284   2.5368   11.875   3.1313   2.1384   4.3271  848.632  121.291  470.296  190.005 378.3358 225.4183 
1 1 1  -21    9   24 o  1406.16   77.021   31.513   3.3784   32.115   4.8579   30.950   4.7014  1406.29  111.229  1381.12  109.613 25.16516 156.1629 
1 1 1  -21    9   26 o  2043.76   81.224   66.538   5.1980   67.340   7.4528   65.778   7.2533  2034.04  117.515  2011.44  115.650 22.59912 164.8781 
1 1 1  -21    9   28 o  2000.62   80.714   63.755   5.0563   58.310   7.1836   69.102   7.1182  1889.11  122.095  2064.78  110.498 -175.6787 164.6720 
1 1 1  -21    9   30 o  2625.36   87.206  110.083   7.1689  106.246   10.146  113.908   10.130  2551.13  127.018  2645.47  122.294 -94.33667 176.3216 
1 1 1  -21    9   32 o  574.700  122.733   5.5702   2.1415   5.8094   3.2001   5.3762   2.8819  579.274  167.155  558.727  157.788 20.54712 229.8647 
1 1 1  -21    9   34 o  752.279  108.722   9.3357   2.4867   14.129   3.5001   4.4497   3.5336  922.042  124.408  521.541  179.137 400.5005 218.0999 
1 1 1  -21    9   36 o  3431.75  148.686  197.886   15.977  209.441   22.550  186.237   22.641  3407.98  212.368  3179.75  228.932 228.2275 312.2657 
1 1 1  -21    9   38 o  1279.97   99.554   26.743   3.9586   27.382   4.8646   25.490   6.8110  1281.96  122.686  1189.79  189.153 92.17468 225.4568 
1 1 1  -21    9   40 o  2442.85  102.508   97.556   7.8410  100.485   9.6161   91.745   13.545  2450.69  125.735  2243.92  194.707 206.7715 231.7762 
1 1 1  -21    9   42 o  1292.48  129.760   28.435   5.1806   28.435   5.1806   0.0000   0.0000  1292.48  129.760  ?   ?  0.000000 129.7605 
1 1 1  -21    9   44 o  1324.31  126.871   30.148   5.1966   30.148   5.1966   0.0000   0.0000  1324.31  126.871  ?   ?  0.000000 126.8710 
1 1 1  -21    9   46 o  986.552  143.898   17.788   4.3144   17.788   4.3144   0.0000   0.0000  986.552  143.898  ?   ?  0.000000 143.8975 
1 1 1  -21    9   48 o  607.410  185.339   8.3208   3.8468   8.3208   3.8468   0.0000   0.0000  607.410  185.339  ?   ?  0.000000 185.3388 
1 1 1  -21    9   50 o  1871.76  137.202   70.337   7.9853   70.337   7.9853   0.0000   0.0000  1871.76  137.202  ?   ?  0.000000 137.2021 
1 1 1  -21    9   52 o  2150.75  153.435  105.814   10.265  105.814   10.265   0.0000   0.0000  2150.75  153.435  ?   ?  0.000000 153.4354 
1 1 1  -21    9   54 o  2280.15  121.218  111.643   8.6235  105.235   10.499  124.932   15.118  1962.16  172.640  1416.56  344.224 545.6024 385.0900 
1 1 1  -21    9   56 o  2184.45  130.226  115.272   8.8670  112.100   10.788  121.880   15.569  1820.28  192.169  790.216  342.024 1030.068 392.3129 
1 1 1  -21    9   58 o  1879.21  135.900   96.981   7.9428   93.726   9.6594  103.778   13.957  1423.33  224.149  542.031  263.011 881.2999 345.5685 
1 1 1  -21   10    1 o  420.902  134.101   2.8079   1.9913   2.8079   1.9913   0.0000   0.0000  420.902  134.101  ?   ?  0.000000 134.1013 
1 1 1  -21   10    3 o  509.244  139.706   4.3121   2.2948   4.3121   2.2948   0.0000   0.0000  509.244  139.706  ?   ?  0.000000 139.7057 
1 1 1  -21   10    5 o  1007.15   92.340   16.211   2.8796   16.521   3.4748   15.531   5.1453  1012.19  111.484  960.367  177.645 51.82336 209.7300 
1 1 1  -21   10    7 o  946.568   90.804   14.325   2.6584   13.370   3.2045   16.434   4.7606  908.341  115.260  995.324  158.032 -86.98395 195.5993 
1 1 1  -21   10    9 o  542.397  127.249   4.9019   2.1239   7.1435   2.6483   0.8616   3.5555  655.480  133.565  407.530  169.258 247.9501 215.6107 
1 1 1  -21   10   11 o  458.499  131.875   3.4618   1.9947   2.2540   2.4486   5.8447   3.4393  407.446  148.225  590.972  174.089 -183.5263 228.6432 
1 1 1  -21   10   13 o  855.467  127.291   11.997   3.3058   12.733   4.4557   11.097   4.9305  868.076  170.007  801.416  197.704 66.66022 260.7470 
1 1 1  -21   10   15 o  1394.00  112.630   31.291   4.8743   25.173   6.7814   37.831   7.0108  1221.48  182.931  1518.45  149.386 -296.9708 236.1782 
1 1 1  -21   10   17 o  1232.66   90.510   24.283   3.4690   17.418   6.1331   27.513   4.2066  1001.52  202.530  1308.51  103.513 -306.9933 227.4501 
1 1 1  -21   10   19 o  1407.61   76.604   31.485   3.3637   35.034   4.8758   28.263   4.6464  1475.28  106.261  1321.72  113.366 153.5532 155.3810 
1 1 1  -21   10   21 o  2605.82  101.214  108.715   8.2586  114.908   10.150   96.586   14.205  2665.98  121.590  2382.82  192.021 283.1565 227.2797 
1 1 1  -21   10   23 o  1197.10   78.579   22.852   2.9291   24.504   4.2139   21.307   4.0744  1229.11  110.677  1143.77  115.340 85.34375 159.8522 
1 1 1  -21   10   25 o  1622.53   78.531   41.823   3.9898   41.760   5.7705   41.880   5.5226  1604.04  115.665  1608.92  110.286 -4.873901 159.8166 
1 1 1  -21   10   27 o  620.265  112.996   6.3821   2.1138   5.1938   3.2066   7.2952   2.8109  553.782  169.265  655.859  141.062 -102.0770 220.3391 
1 1 1  -21   10   29 o  1338.07  115.646   29.114   4.7977   30.097   6.9179   28.204   6.6595  1333.28  169.539  1290.54  168.848 42.73950 239.2761 
1 1 1  -21   10   31 o  1726.47   94.618   47.834   5.0956   46.395   6.2456   50.698   8.8123  1688.40  118.895  1736.41  164.019 -48.00525 202.5784 
1 1 1  -21   10   33 o  786.893  119.394   10.263   2.8494   11.372   3.4566   7.9093   5.0337  821.518  139.352  668.250  213.246 153.2680 254.7406 
1 1 1  -21   10   35 o  1629.88   95.733   42.871   4.8644   41.919   5.9391   44.811   8.4785  1598.44  119.525  1616.42  170.063 -17.97937 207.8646 
1 1 1  -21   10   37 o  1754.85  115.963   50.595   6.3361   50.595   6.3361   0.0000   0.0000  1754.85  115.963  ?   ?  0.000000 115.9628 
1 1 1  -21   10   39 o  1558.84  118.180   40.244   5.7256   40.244   5.7256   0.0000   0.0000  1558.84  118.180  ?   ?  0.000000 118.1797 
1 1 1  -21   10   41 o  2157.95  123.472   77.801   8.3085   77.801   8.3085   0.0000   0.0000  2157.95  123.472  ?   ?  0.000000 123.4724 
1 1 1  -21   10   43 o  460.187  174.269   3.2892   3.4481   3.2892   3.4481   0.0000   0.0000  460.187  174.269  ?   ?  0.000000 174.2693 
1 1 1  -21   10   45 o  1294.24  133.763   29.510   5.3427   29.510   5.3427   0.0000   0.0000  1294.24  133.763  ?   ?  0.000000 133.7632 
1 1 1  -21   10   47 o  548.204  220.478   7.1037   5.7978   7.1037   5.7978   0.0000   0.0000  548.204  220.478  ?   ?  0.000000 220.4776 
1 1 1  -21   10   49 o  1672.82  132.857   53.983   6.9018   53.983   6.9018   0.0000   0.0000  1672.82  132.857  ?   ?  0.000000 132.8565 
1 1 1  -21   10   51 o  2381.99  157.316  126.418   11.667  126.418   11.667   0.0000   0.0000  2381.99  157.316  ?   ?  0.000000 157.3155 
1 1 1  -21   10   53 o  1983.89  116.864   80.180   7.2276   84.605   8.8275   71.181   12.589  1906.23  149.079  1022.62  338.051 883.6093 369.4632 
1 1 1  -21   10   55 o  520.517  178.480   9.3307   3.5070   2.7534   4.1434   25.947   6.5856  325.978  154.071  695.886  244.238 -369.9077 288.7731 
1 1 1  -21   10   57 o  1146.78  182.488   43.828   6.3333   42.873   8.4223   45.070   9.6075  653.991  264.780  541.411  248.583 112.5807 363.1829 
1 1 1  -21   11    2 o  1302.86   90.020   27.032   3.6499   24.690   4.4408   31.909   6.4076  1237.88  115.918  1396.80  148.794 -158.9202 188.6176 
1 1 1  -21   11    4 o  426.863  144.941   2.7567   2.3126   2.7567   2.3126   0.0000   0.0000  426.863  144.941  ?   ?  0.000000 144.9415 
1 1 1  -21   11    6 o  499.661  135.826   4.1512   2.1808   5.8938   2.6154   0.1750   3.9507  592.968  142.608  407.796  174.334 185.1717 225.2317 
1 1 1  -21   11    8 o  555.494  127.524   5.1420   2.1713   4.3031   2.6626   6.8070   3.7512  511.622  153.771  634.642  180.298 -123.0203 236.9662 
1 1 1  -21   11   10 o  888.867  124.395   12.899   3.3674   10.928   4.5247   15.345   5.0415  799.446  184.499  953.991  175.228 -154.5453 254.4503 
1 1 1  -21   11   12 o  1436.63  111.410   33.159   4.9725   31.053   7.0538   35.239   7.0108  1368.01  168.216  1464.23  155.281 -96.21863 228.9300 
1 1 1  -21   11   14 o  563.367  159.023   5.3346   2.9279   5.5873   4.0564   5.0599   4.2303  585.467  191.817  568.525  195.961 16.94177 274.2161 
1 1 1  -21   11   16 o  1909.88   93.154   58.016   5.5709   58.996   6.7987   56.015   9.7187  1915.41  113.869  1836.28  170.990 79.13135 205.4359 
1 1 1  -21   11   18 o  827.023  107.160   11.115   2.7098   11.629   3.4011   10.222   4.4839  838.021  134.138  767.846  188.002 70.17462 230.9493 
1 1 1  -21   11   20 o  496.136  143.182   4.1114   2.3479   5.5098   2.8476   1.1423   4.1493  569.888  155.327  438.575  182.558 131.3131 239.6951 
1 1 1  -21   11   22 o  1188.82   93.785   22.664   3.4628   20.974   4.2619   25.948   5.9401  1134.08  121.932  1248.27  155.332 -114.1885 197.4725 
1 1 1  -21   11   24 o  1754.78   93.758   49.232   5.1330   49.759   6.2641   48.155   8.9554  1755.25  114.602  1695.43  171.027 59.81873 205.8728 
1 1 1  -21   11   26 o  2438.40   99.907   95.032   7.6281   92.438   9.3834  100.085   13.099  2387.59  125.958  2448.92  171.909 -61.33325 213.1152 
1 1 1  -21   11   28 o  837.211  136.106   11.661   3.4455   8.0313   4.6620   16.030   5.1146  679.441  203.307  968.510  175.097 -289.0695 268.3146 
1 1 1  -21   11   30 o  2444.96   99.828   95.674   7.6426  100.251   9.3460   86.435   13.278  2490.83  119.829  2254.53  189.851 236.3030 224.5049 
1 1 1  -21   11   32 o  1619.98  118.461   42.689   5.9673   42.689   5.9673   0.0000   0.0000  1619.98  118.461  ?   ?  0.000000 118.4607 
1 1 1  -21   11   34 o  1711.60  115.711   47.729   6.1651   47.729   6.1651   0.0000   0.0000  1711.60  115.711  ?   ?  0.000000 115.7113 
1 1 1  -21   11   36 o  706.328  167.162   8.7720   3.6396   8.7720   3.6396   0.0000   0.0000  706.328  167.162  ?   ?  0.000000 167.1616 
1 1 1  -21   11   38 f  938.005  136.303   14.883   3.8862   14.883   3.8862   0.0000   0.0000  938.005  136.303  ?   ?  0.000000 136.3031 
1 1 1  -21   11   40 o  614.180  174.221   6.7938   3.5053   6.7938   3.5053   0.0000   0.0000  614.180  174.221  ?   ?  0.000000 174.2207 
1 1 1  -21   11   42 o  969.337  146.314   16.372   4.3027   16.372   4.3027   0.0000   0.0000  969.337  146.314  ?   ?  0.000000 146.3140 
1 1 1  -21   11   44 o  2228.27  126.836   85.244   8.8131   85.244   8.8131   0.0000   0.0000  2228.27  126.836  ?   ?  0.000000 126.8357 
1 1 1  -21   11   46 o  1258.47  134.344   28.657   5.2121   28.657   5.2121   0.0000   0.0000  1258.47  134.344  ?   ?  0.000000 134.3443 
1 1 1  -21   11   48 o  1390.27  138.875   37.034   5.9647   37.034   5.9647   0.0000   0.0000  1390.27  138.875  ?   ?  0.000000 138.8750 
1 1 1  -21   11   50 o  1851.65  105.706   62.747   6.1034   59.833   7.4296   68.796   10.704  1720.65  139.087  1612.43  217.551 108.2161 258.2124 
1 1 1  -21   11   52 o  1307.13  149.217   38.098   5.9979   38.960   8.3453   37.177   8.6264  1041.74  257.343  950.292  274.509 91.45062 376.2724 
1 1 1  -21   11   54 o  418.051  176.751   6.2601   3.9841   10.016   5.5241   2.1882   5.7515  451.955  199.463  341.131  166.272 110.8246 259.6764 
1 1 1  -21   11   56 o  747.054  213.752   22.439   5.2531   24.232   7.4663   20.680   7.3922  515.081  229.363  468.199  216.086 46.88257 315.1199 
1 1 1  -21   11   58 o  279.596  132.590   2.2591   3.1175  -1.8175   3.7052   12.140   5.7685  236.705  118.475  360.573  173.499 -123.8674 210.0912 
1 1 1  -21   12    1 o  602.008  109.249   5.9461   1.9835   7.1710   2.6758   4.4520   2.9552  656.559  134.674  522.913  162.940 133.6458 211.3920 
1 1 1  -21   12    3 o  1126.62   80.518   20.166   2.8218   18.393   3.8970   22.120   4.0912  1066.43  118.718  1172.31  112.846 -105.8818 163.7934 
1 1 1  -21   12    5 o  508.355  152.568   4.2443   2.6225   7.3045   3.4757   0.1990   3.9961  656.823  168.249  410.652  175.438 246.1708 243.0764 
1 1 1  -21   12    7 o  518.675  139.421   4.4851   2.3131   4.0588   4.0387   4.6933   2.8218  530.017  190.721  532.715  157.891 -2.697998 247.5964 
1 1 1  -21   12    9 o  636.029  127.875   6.7120   2.4584   5.7991   4.2621   7.1672   3.0095  598.457  196.645  652.865  150.325 -54.40790 247.5216 
1 1 1  -21   12   11 o  555.846  135.215   5.1703   2.3309   4.3021   4.1056   5.5833   2.8314  539.790  192.499  576.258  153.981 -36.46832 246.5072 
1 1 1  -21   12   13 o  368.416  139.051   1.6447   2.1906  -3.7029   2.6865   12.257   3.7845  249.583  119.655  859.168  145.891 -609.5852 188.6838 
1 1 1  -21   12   15 o  612.978  130.403   6.2689   2.4260   4.9387   3.0651   8.4995   3.9692  545.659  165.207  704.474  179.443 -158.8145 243.9121 
1 1 1  -21   12   17 o  345.565  141.911   0.7371   2.4615   3.0964   3.6108  -1.3111   3.3644  481.106  179.134  339.759  152.431 141.3475 235.2110 
1 1 1  -21   12   19 o  691.214  123.871   7.9011   2.5825   8.4623   3.1148   6.6669   4.6192  710.004  145.009  632.322  204.540 77.68140 250.7271 
1 1 1  -21   12   21 o  1640.07   93.311   42.913   4.7721   43.579   5.8371   41.570   8.2870  1645.33  114.002  1580.63  170.115 64.69836 204.7822 
1 1 1  -21   12   23 o  510.853  148.629   4.3457   2.5208   7.3435   3.1106  -1.3893   4.3024  658.409  153.677  387.414  173.193 270.9952 231.5440 
1 1 1  -21   12   25 o  662.654  134.070   7.3358   2.6863   8.4903   3.3023   5.0770   4.6189  708.792  153.255  575.813  204.303 132.9789 255.3949 
1 1 1  -21   12   27 o  2249.67  176.400   84.323   12.326   84.323   12.326   0.0000   0.0000  2249.67  176.400  ?   ?  0.000000 176.3999 
1 1 1  -21   12   29 o  2005.62  117.913   64.942   7.3725   64.942   7.3725   0.0000   0.0000  2005.62  117.913  ?   ?  0.000000 117.9131 
1 1 1  -21   12   31 o  2210.19  122.001   79.201   8.4106   79.201   8.4106   0.0000   0.0000  2210.19  122.001  ?   ?  0.000000 122.0014 
1 1 1  -21   12   33 o  496.836  172.885   3.8611   3.2964   3.8611   3.2964   0.0000   0.0000  496.836  172.885  ?   ?  0.000000 172.8852 
1 1 1  -21   12   35 o  2303.50  124.344   86.805   8.9355   86.805   8.9355   0.0000   0.0000  2303.50  124.344  ?   ?  0.000000 124.3441 
1 1 1  -21   12   37 o  2217.15  179.832   84.880   12.377   84.880   12.377   0.0000   0.0000  2217.15  179.832  ?   ?  0.000000 179.8324 
1 1 1  -21   12   39 o  617.929  177.184   6.8126   3.6059   6.8126   3.6059   0.0000   0.0000  617.929  177.184  ?   ?  0.000000 177.1837 
1 1 1  -21   12   41 o  956.814  146.577   15.829   4.2516   15.829   4.2516   0.0000   0.0000  956.814  146.577  ?   ?  0.000000 146.5765 
1 1 1  -21   12   43 o  1928.27  126.336   63.279   7.5858   63.279   7.5858   0.0000   0.0000  1928.27  126.336  ?   ?  0.000000 126.3356 
1 1 1  -21   12   45 o  2830.94  138.996  143.216   12.321  143.216   12.321   0.0000   0.0000  2830.94  138.996  ?   ?  0.000000 138.9956 
1 1 1  -21   12   47 o  395.177  161.121   2.4489   3.1445   2.2150   3.7108   3.0448   5.9223  400.571  170.037  456.027  203.581 -55.45560 265.2505 
1 1 1  -21   12   49 o  1250.00  154.247   32.132   5.9093   31.320   8.0178   33.097   8.7432  1047.88  248.184  1027.15  268.745 20.72595 365.8127 
1 1 1  -21   12   51 o  1503.90  148.169   48.387   6.8868   35.604   9.6522   61.642   9.8288  867.807  296.107  1499.10  215.592 -631.2918 366.2778 
1 1 1  -21   12   53 o  1589.98  155.443   59.546   7.6400   61.625   10.647   57.340   10.969  1203.19  286.686  1037.35  312.180 165.8367 423.8459 
1 1 1  -21   12   55 o  921.519  153.331   21.355   4.2689   20.320   5.0221   24.050   8.1041  771.931  204.508  530.598  237.417 241.3337 313.3530 
1 1 1  -21   12   57 o  1934.16  131.797   92.902   7.9345   82.742   9.6347  114.312   13.987  1424.09  223.417  909.293  349.386 514.8015 414.7110 
1 1 1  -21   13    2 o  1579.48   79.636   39.498   3.9259   37.505   5.5378   41.512   5.5665  1529.27  116.525  1611.03  111.025 -81.76233 160.9488 
1 1 1  -21   13    4 o  628.755  132.133   6.5659   2.5188   6.9323   4.4007   6.3875   3.0716  645.175  198.474  616.473  158.304 28.70258 253.8743 
1 1 1  -21   13    6 o  314.886  137.193  -0.3763   2.5386  -0.2393   3.5749  -0.5156   3.6055  378.937  163.953  373.597  163.116 5.340149 231.2735 
1 1 1  -21   13    8 o  339.010  132.900   1.1290   2.0549  -3.0033   3.8421   2.7846   2.4320  333.991  154.720  432.230  148.604 -98.23914 214.5262 
1 1 1  -21   13   10 o  236.212  106.513  -0.8337   1.6665  -1.6585   2.4527  -0.1263   2.2713  274.636  125.913  304.906  131.305 -30.26971 181.9205 
1 1 1  -21   13   12 o  876.470   90.543   12.299   2.4491   11.039   3.4331   13.605   3.4948  817.518  139.097  913.599  125.478 -96.08203 187.3305 
1 1 1  -21   13   14 o  931.074   85.632   13.836   2.4685   18.233   3.5443   9.6926   3.4401  1064.63  107.806  761.838  149.549 302.7939 184.3556 
1 1 1  -21   13   16 o  917.004   90.199   13.454   2.5564   13.706   3.6961   13.224   3.5396  914.474  132.975  898.961  129.483 15.51251 185.6025 
1 1 1  -21   13   18 o  3359.01   97.814  179.290   10.288  181.148   14.569  177.443   14.529  3351.41  138.835  3316.20  139.924 35.21167 197.1140 
1 1 1  -21   13   20 o  1259.76   94.914   25.332   3.7165   22.861   4.6424   29.743   6.2019  1187.31  126.832  1347.59  149.495 -160.2800 196.0489 
1 1 1  -21   13   22 o  1233.13   91.613   24.248   3.5121   31.083   4.4750   13.286   5.6674  1393.75  103.274  875.323  209.557 518.4291 233.6223 
1 1 1  -21   13   24 o  424.037  138.692   2.8121   2.1210   5.8141   2.7743  -1.4104   3.2904  587.728  150.192  333.809  150.173 253.9193 212.3899 
1 1 1  -21   13   26 o  1869.33  113.976   56.102   6.6395   54.660   9.5537   57.449   9.2338  1817.99  169.793  1870.05  159.207 -52.05750 232.7588 
1 1 1  -21   13   28 o  1030.66   99.766   17.080   3.1794   20.983   4.0903   11.121   5.0537  1138.31  116.394  798.884  201.927 339.4292 233.0711 
1 1 1  -21   13   30 o  2256.53   98.066   81.252   6.9291   78.057   8.5019   87.573   11.958  2196.12  124.143  2296.50  167.447 -100.3801 208.4469 
1 1 1  -21   13   32 o  1308.15   99.715   27.529   4.0537   29.130   4.9839   24.400   6.9681  1337.90  120.251  1188.26  193.970 149.6376 228.2205 
1 1 1  -21   13   34 o  800.865  125.279   10.645   3.0387   10.868   3.8303   10.265   4.9913  796.792  159.093  757.982  205.248 38.81067 259.6869 
1 1 1  -21   13   36 o  2665.53  103.716  114.462   8.6566  105.697   10.617  131.846   14.952  2534.43  134.262  2788.79  172.063 -254.3652 218.2478 
1 1 1  -21   13   38 o  1599.34  121.062   42.022   6.0178   41.182   8.5080   42.864   8.5128  1541.15  179.679  1576.00  175.483 -34.85400 251.1550 
1 1 1  -21   13   40 o  2268.16  100.295   83.483   7.1231   86.595   8.7237   77.258   12.338  2287.91  122.214  2082.00  191.403 205.9016 227.0930 
1 1 1  -21   13   42 o  2831.13  110.169  132.701   9.7664  132.520   11.986  133.060   16.846  2787.56  137.322  2662.07  203.646 125.4858 245.6193 
1 1 1  -21   13   44 o  840.426  133.170   12.532   3.3877   9.8908   4.1256   17.999   5.9356  706.820  184.450  937.782  207.618 -230.9617 277.7178 
1 1 1  -21   13   46 o  1799.47  131.169   58.595   7.3399   53.890   10.473   63.137   10.290  1549.53  222.203  1743.06  191.705 -193.5289 293.4708 
1 1 1  -21   13   48 o  517.693  193.925   6.3908   4.2443   3.7839   5.9063   9.1744   6.1032  454.597  203.098  566.448  226.776 -111.8517 304.4273 
1 1 1  -21   13   50 o  470.572  188.128   5.7346   4.1937   5.4185   5.8890   6.0598   5.9735  453.287  202.635  464.411  206.063 -11.12387 289.0039 
1 1 1  -21   13   52 o  1165.80  124.472   27.350   4.4735   19.898   5.3174   45.399   8.2753  846.144  203.244  1256.90  218.177 -410.7545 298.1766 
1 1 1  -21   13   54 o  1393.31  119.928   40.421   5.1812   30.657   6.0827   66.234   9.8903  1029.47  195.853  1376.48  238.085 -347.0070 308.2906 
1 1 1  -21   13   56 o  924.378  167.650   23.953   4.6739   25.286   5.4596   20.295   9.0430  837.856  208.842  419.580  205.362 418.2761 292.8964 
1 1 1  -21   14    1 f  931.869  106.952   13.951   3.0642   3.3675   5.3635   19.079   3.7336  551.432  215.114  1090.69  110.862 -539.2574 242.0008 
1 1 1  -21   14    3 o  1999.99   94.392   63.296   5.9113   59.426   10.232   65.235   7.2422  1907.13  173.225  2022.15  114.852 -115.0137 207.8410 
1 1 1  -21   14    5 o  627.025  135.184   6.5238   2.5760   7.1425   4.5590   6.2336   3.1222  656.817  202.005  610.419  161.026 46.39850 258.3318 
1 1 1  -21   14    7 f  804.727   98.246   10.407   2.4242   11.093   3.4350   9.7264   3.4217  821.536  138.453  765.697  148.072 55.83893 202.7180 
1 1 1  -21   14    9 o  1569.08   80.488   38.961   3.9412   39.337   5.5892   38.588   5.5583  1568.16  114.620  1552.94  115.127 15.21899 162.4559 
1 1 1  -21   14   11 o  388.086  140.883   2.0194   2.2104   1.7260   2.6546   2.6825   3.9912  395.077  152.107  483.733  186.433 -88.65546 240.6115 
1 1 1  -21   14   13 o  903.753  105.253   13.139   2.9227   16.225   3.6291   7.4416   4.9305  1002.49  117.862  670.398  210.721 332.0891 241.4430 
1 1 1  -21   14   15 o  1025.33  103.271   16.850   3.2704   15.150   4.0153   20.199   5.6369  963.063  137.016  1104.44  168.319 -141.3813 217.0359 
1 1 1  -21   14   17 o  538.601  142.988   4.8281   2.4518   7.4111   2.9831  -0.5494   4.3043  666.264  146.937  408.847  178.372 257.4165 231.0999 
1 1 1  -21   14   19 o  463.266  161.281   3.1588   2.8689   3.1588   2.8689   0.0000   0.0000  463.266  161.281  ?   ?  0.000000 161.2810 
1 1 1  -21   14   21 o  283.459  124.489  -0.4898   2.1275  -3.1481   2.7365   3.5720   3.3826  263.352  124.693  495.131  174.926 -231.7797 214.8192 
1 1 1  -21   14   23 o  1148.47   98.051   21.079   3.4923   20.096   4.4540   22.649   5.6266  1112.52  130.327  1173.00  157.141 -60.47864 204.1524 
1 1 1  -21   14   25 o  1187.88  114.212   22.722   4.1958   28.160   6.1943   18.112   5.7035  1309.83  153.967  1036.69  182.361 273.1359 238.6660 
1 1 1  -21   14   27 o  1733.14   94.584   47.854   5.1136   45.759   6.3448   51.736   8.6380  1685.43  121.030  1776.19  156.927 -90.76746 198.1775 
1 1 1  -21   14   29 o  1167.22   99.870   21.864   3.6150   22.481   4.5223   20.771   6.0165  1175.87  124.728  1108.34  179.500 67.52942 218.5802 
1 1 1  -21   14   31 o  3841.50  125.625  238.278   15.111  232.839   18.543  249.029   26.071  3765.08  157.289  3805.47  219.731 -40.38257 270.2255 
1 1 1  -21   14   33 f  436.650  157.702   2.7283   2.7644   6.0595   3.3934  -3.8452   4.7668  595.320  172.229  364.291  169.964 231.0290 241.9720 
1 1 1  -21   14   35 o  2048.24   98.467   67.201   6.3152   66.183   7.7634   69.191   10.858  2016.30  123.560  2025.53  172.854 -9.236572 212.4748 
1 1 1  -21   14   37 o  2826.74  107.282  128.996   9.4957  130.605   11.676  125.851   16.320  2822.39  132.112  2695.48  194.672 126.9141 235.2673 
1 1 1  -21   14   39 o  535.161  184.652   4.7779   3.7566   6.5988   5.4531   3.1333   5.1824  618.890  221.730  514.957  207.977 103.9335 304.0040 
1 1 1  -21   14   41 o  363.820  151.630   0.9483   2.8676   1.2807   3.6868   0.4391   4.5628  408.352  171.195  420.859  183.631 -12.50760 251.0538 
1 1 1  -21   14   43 o  735.074  179.528   10.381   4.0966   14.523   5.6317   5.7265   5.9699  842.100  213.333  561.944  224.529 280.1563 309.7163 
1 1 1  -21   14   45 o  1803.14  127.976   57.641   7.1787   52.306   10.057   63.185   10.250  1576.33  208.892  1776.69  187.064 -200.3674 280.4082 
1 1 1  -21   14   47 o  1097.09  151.248   23.319   5.0576   20.545   7.0043   26.342   7.3106  885.539  244.542  1043.97  229.862 -158.4274 335.6152 
1 1 1  -21   14   49 o  537.189  174.678   6.6471   3.3663   7.4189   4.0113   4.8091   6.1901  547.209  190.694  461.515  206.930 85.69434 281.3966 
1 1 1  -21   14   51 o  405.429  167.970   3.6807   3.4892   2.7473   4.1332   5.9953   6.5087  385.674  171.254  448.273  205.371 -62.59933 267.4045 
1 1 1  -21   14   53 o  1332.54  125.051   36.434   5.1567   35.931   6.2038   37.557   9.2755  1221.41  166.553  851.982  290.273 369.4294 334.6619 
1 1 1  -21   14   55 o  840.912  168.674   18.817   4.2868   16.876   5.0720   23.671   8.0211  660.677  214.393  553.134  242.351 107.5434 323.5707 
1 1 1  -21   15    2 o  722.878  164.092   8.7200   3.6293   5.6780   4.7995   12.782   5.5463  610.063  208.798  868.634  206.877 -258.5713 293.9299 
1 1 1  -21   15    4 o  647.889  139.805   6.9501   2.7530   9.2760   3.2849   1.4617   5.0461  749.657  145.187  491.911  202.736 257.7467 249.3612 
1 1 1  -21   15    6 o  487.559  165.276   3.5824   3.0069   3.5824   3.0069   0.0000   0.0000  487.559  165.276  ?   ?  0.000000 165.2762 
1 1 1  -21   15    8 o  385.178  146.197   1.7161   2.4302   3.2567   2.9457  -1.5669   4.3002  471.491  163.466  388.348  173.414 83.14310 238.3139 
1 1 1  -21   15   10 o  1377.88   97.258   30.169   4.1692   28.443   5.1218   33.557   7.1780  1331.43  124.290  1435.56  162.550 -104.1239 204.6227 
1 1 1  -21   15   12 o  452.000  146.192   3.1887   2.3598   4.6603   2.8231  -0.2238   4.2991  533.878  157.853  417.707  180.262 116.1707 239.6078 
1 1 1  -21   15   14 o  289.806  127.968  -0.6529   2.2767   0.7703   2.7913  -3.4810   3.9348  367.672  151.071  332.220  154.806 35.45227 216.3037 
1 1 1  -21   15   16 o  823.980  112.468   10.972   2.8260   11.443   3.4818   10.061   4.8378  835.701  137.865  770.257  199.123 65.44391 242.1917 
1 1 1  -21   15   18 o  1175.95  120.293   22.231   4.3671   22.231   4.3671   0.0000   0.0000  1175.95  120.293  ?   ?  0.000000 120.2933 
1 1 1  -21   15   20 o  1213.06   95.993   23.435   3.6164   21.796   4.4479   26.632   6.2118  1162.91  124.064  1276.00  158.916 -113.0929 201.6086 
1 1 1  -21   15   22 o  1140.64  101.950   20.797   3.6029   23.145   4.4441   16.294   6.1543  1199.26  119.955  977.183  207.542 222.0737 239.7147 
1 1 1  -21   15   24 o  1188.14  122.556   22.779   4.4941   19.014   6.2682   26.761   6.4467  1059.98  196.076  1274.33  165.467 -214.3534 256.5644 
1 1 1  -21   15   26 o  1029.32  106.734   17.040   3.3901   16.401   4.2270   18.193   5.6757  1000.61  138.635  1040.01  180.853 -39.40289 227.8760 
1 1 1  -21   15   28 o  1741.35   94.842   48.304   5.1519   49.340   6.3719   46.348   8.7549  1752.30  116.798  1674.71  169.277 77.58789 205.6615 
1 1 1  -21   15   30 o  2822.15  106.956  127.219   9.4516  125.422   11.582  130.803   16.354  2787.27  132.699  2799.38  187.661 -12.11011 229.8390 
1 1 1  -21   15   32 o  2264.06   99.570   81.787   7.0588   81.181   8.6357   83.009   12.254  2241.26  123.528  2230.57  176.891 10.69141 215.7540 
1 1 1  -21   15   34 o  392.509  153.421   1.6650   2.7323  -1.5696   3.4945   6.7536   4.3829  339.936  153.673  629.726  198.775 -289.7907 251.2507 
1 1 1  -21   15   36 o  3022.34  111.356  147.338   10.538  150.474   12.904  141.058   18.261  3032.64  135.892  2852.69  205.812 179.9502 246.6275 
1 1 1  -21   15   38 o  2539.70  104.149  104.269   8.2823   95.573   10.117  121.945   14.423  2402.73  135.012  2668.78  173.541 -266.0530 219.8746 
1 1 1  -21   15   40 o  2957.47  139.725  147.579   12.939  148.088   18.326  147.073   18.272  2837.69  207.685  2827.62  207.832 10.06445 293.8151 
1 1 1  -21   15   42 o  1295.08  139.585   29.222   5.5710   24.519   7.9475   33.765   7.8116  1083.61  240.506  1336.50  192.189 -252.8888 307.8631 
1 1 1  -21   15   44 o  1638.11  128.555   47.070   6.5411   36.660   9.1176   58.109   9.3894  1301.84  232.183  1746.35  174.024 -444.5090 290.1609 
1 1 1  -21   15   46 o  1575.81  105.024   42.813   5.1525   39.400   6.1417   50.923   9.4672  1468.59  135.073  1549.58  199.766 -80.98718 241.1455 
1 1 1  -21   15   48 f  1259.42  119.215   28.878   4.6454   26.570   5.6384   33.755   8.1962  1145.14  161.750  1160.72  233.598 -15.58643 284.1321 
1 1 1  -21   15   50 o  1473.95  113.872   40.182   5.2148   34.536   6.3296   52.112   9.2009  1272.07  162.631  1448.81  208.849 -176.7388 264.7011 
1 1 1  -21   15   52 o  2826.53  128.539  160.357   11.376  149.578   13.887  182.356   19.838  2482.83  179.840  2169.38  300.083 313.4419 349.8455 
1 1 1  -21   15   54 o  1089.59  142.435   26.642   4.7432   23.996   5.6116   33.265   8.8763  899.134  204.000  741.916  279.931 157.2187 346.3773 
1 1 1  -21   16    1 o  810.707  161.861   10.879   3.9650   12.310   5.3958   9.1991   5.8460  854.728  204.372  746.425  228.611 108.3030 306.6451 
1 1 1  -21   16    3 o  1627.36   95.837   41.941   4.8620   44.759   5.8721   35.796   8.6703  1677.82  112.421  1477.07  192.004 200.7517 222.4952 
1 1 1  -21   16    5 o  543.972  153.064   4.8608   2.7170   7.4799   3.1235  -3.2828   5.5077  671.409  152.099  416.813  190.184 254.5956 243.5244 
1 1 1  -21   16    7 o  661.985  136.699   7.2244   2.7397   6.9160   3.1533   8.1742   5.5337  644.877  157.514  708.362  223.325 -63.48517 273.2849 
1 1 1  -21   16    9 o  253.254  118.337  -2.2321   2.3246   0.1500   2.6810  -9.4492   4.6665  341.652  144.750  295.109  145.068 46.54257 204.9322 
1 1 1  -21   16   11 o  310.401  133.966  -0.2176   2.3748  -1.1252   2.8449   1.8685   4.3132  315.756  141.020  474.182  190.357 -158.4265 236.9017 
1 1 1  -21   16   13 o  667.687  142.354   7.3757   2.8853   9.8080   3.4327   1.5215   5.3256  771.251  147.518  504.829  208.193 266.4218 255.1584 
1 1 1  -21   16   15 o  910.880  117.903   13.379   3.2839   16.146   4.0248   7.8682   5.6798  998.721  131.932  698.369  226.887 300.3516 262.4573 
1 1 1  -21   16   17 o  1296.88  121.457   26.956   4.8747   26.956   4.8747   0.0000   0.0000  1296.88  121.457  ?   ?  0.000000 121.4575 
1 1 1  -21   16   19 o  465.828  156.163   3.3008   2.6842   1.8805   3.2793   6.1839   4.6722  429.928  168.069  624.517  205.923 -194.5894 265.8033 
1 1 1  -21   16   21 o  1555.05   95.559   38.399   4.6305   36.003   5.6302   43.407   8.1397  1499.16  120.970  1633.46  161.246 -134.3051 201.5782 
1 1 1  -21   16   23 o  1238.73  102.616   24.499   3.9444   29.508   4.8727   14.976   6.7181  1356.89  115.793  930.037  231.578 426.8523 258.9142 
1 1 1  -21   16   25 o  2217.25   98.729   77.977   6.8545   78.832   8.4181   76.294   11.808  2218.85  121.626  2156.59  176.403 62.25586 214.2685 
1 1 1  -21   16   27 o  827.802  124.755   11.197   3.1333   11.642   3.7820   10.222   5.5950  837.339  149.742  770.216  220.667 67.12378 266.6770 
1 1 1  -21   16   29 o  2751.92  105.191  120.622   9.0642  121.947   11.145  118.033   15.578  2755.08  129.194  2667.56  187.691 87.52051 227.8575 
1 1 1  -21   16   31 o  2082.75   98.277   69.027   6.4093   69.244   7.8536   68.594   11.090  2073.96  121.464  2034.09  175.852 39.87280 213.7232 
1 1 1  -21   16   33 o  880.040  129.301   12.746   3.4568   10.105   4.2177   18.151   6.0333  766.383  178.997  1026.60  194.817 -260.2122 264.5626 
1 1 1  -21   16   35 o  1404.33  102.846   31.759   4.4910   32.553   5.4400   30.059   7.9582  1413.03  124.212  1317.95  199.042 95.07288 234.6196 
1 1 1  -21   16   37 f  1354.45  194.820   32.177   8.0248   32.177   8.0248   0.0000   0.0000  1354.45  194.820  ?   ?  0.000000 194.8204 
1 1 1  -21   16   39 o  1439.39  131.404   34.736   5.8572   32.953   8.2828   36.519   8.2838  1343.46  203.247  1427.36  190.067 -83.90540 278.2710 
1 1 1  -21   16   41 o  1499.29  128.608   38.241   5.9792   31.197   8.2196   46.158   8.7138  1269.41  214.428  1593.21  177.698 -323.7931 278.4885 
1 1 1  -21   16   43 o  1579.59  106.806   42.006   5.2517   35.475   6.3905   55.592   9.2168  1408.14  147.107  1725.47  172.918 -317.3386 227.0266 
1 1 1  -21   16   45 o  2083.47  103.976   73.711   6.7833   62.234   8.2251   98.116   11.994  1847.84  143.274  2255.99  171.061 -408.1516 223.1351 
1 1 1  -21   16   47 f  1116.66  128.847   22.811   4.4225   15.721   5.3347   38.391   7.9081  833.652  205.643  1340.23  194.092 -506.5789 282.7732 
1 1 1  -21   16   49 o  600.588  184.530   8.3913   3.8054   7.3738   4.4511   11.155   7.3361  541.970  199.436  580.688  242.313 -38.71802 313.8317 
1 1 1  -21   16   51 o  1213.96  129.575   28.875   4.8493   22.348   5.7359   45.229   9.0798  947.803  199.578  1263.25  238.284 -315.4429 310.8227 
1 1 1  -21   16   53 o  1295.24  131.698   34.749   5.2670   39.883   6.2244   21.802   9.8839  1338.69  151.136  552.969  253.242 785.7252 294.9127 
1 1 1  -21   17    2 o  1226.39  133.480   24.156   5.0430   25.617   6.8302   22.405   7.4775  1251.23  179.471  1158.41  214.030 92.82202 279.3183 
1 1 1  -21   17    4 o  383.943  150.919   1.3854   2.6564   4.0399   3.0805  -6.3137   5.2462  511.098  167.143  360.453  171.245 150.6450 239.2937 
1 1 1  -21   17    6 o  321.167  139.044  -0.3078   2.5743  -0.2841   3.0392  -0.3682   4.8431  350.659  151.445  442.008  191.036 -91.34955 243.7839 
1 1 1  -21   17    8 o  700.293  142.708   8.0801   3.0231   8.8075   3.5078   5.9799   5.9603  729.000  158.212  647.102  231.815 81.89801 280.6584 
1 1 1  -21   17   10 o  1007.70  110.841   16.250   3.4396   19.149   4.0252   8.4037   6.6223  1093.10  119.548  731.018  245.287 362.0834 272.8691 
1 1 1  -21   17   12 o  338.596  147.312  -0.4465   2.9180  -0.4465   2.9180   0.0000   0.0000  338.596  147.312  ?   ?  0.000000 147.3116 
1 1 1  -21   17   14 o  669.217  172.613   7.4670   3.6408   7.4670   3.6408   0.0000   0.0000  669.217  172.613  ?   ?  0.000000 172.6132 
1 1 1  -21   17   16 o  1334.72  122.397   28.511   5.0584   28.511   5.0584   0.0000   0.0000  1334.72  122.397  ?   ?  0.000000 122.3970 
1 1 1  -21   17   18 o  1501.45   99.497   35.793   4.6512   35.586   5.6056   36.252   8.3336  1492.12  121.020  1487.17  182.808 4.951050 219.2368 
1 1 1  -21   17   20 o  1407.99  100.649   31.523   4.4081   33.460   5.3760   27.550   7.7010  1446.28  119.789  1287.42  197.327 158.8619 230.8405 
1 1 1  -21   17   22 o  842.351  137.228   11.616   3.4949   7.9839   4.1930   19.883   6.3255  689.174  188.751  1090.32  192.305 -401.1440 269.4596 
1 1 1  -21   17   24 o  338.903  143.675   0.1659   2.6439   2.1733   3.1535  -4.5833   4.8505  434.468  166.146  362.680  169.938 71.78720 237.6622 
1 1 1  -21   17   26 o  1164.16  109.173   21.723   3.9332   20.702   4.7615   23.915   6.9783  1128.55  137.592  1194.65  193.139 -66.10522 237.1373 
1 1 1  -21   17   28 o  1825.07   98.992   53.001   5.6359   58.378   6.8821   42.054   9.8205  1910.18  115.606  1584.12  202.628 326.0614 233.2865 
1 1 1  -21   17   30 o  4471.64  139.000  322.170   19.462  320.480   23.862  325.529   33.638  4426.59  172.157  4357.97  247.525 68.61572 301.5079 
1 1 1  -21   17   32 o  1636.01   99.654   42.769   5.0807   39.938   6.1803   48.670   8.9232  1570.94  126.720  1714.85  168.350 -143.9034 210.7127 
1 1 1  -21   17   34 o  1472.19  129.618   35.346   5.9142   32.098   8.4190   38.510   8.3099  1363.92  203.346  1510.81  179.149 -146.8882 271.0053 
1 1 1  -21   17   36 o  1203.38  142.949   24.166   5.2810   30.038   7.4469   18.226   7.4903  1317.26  185.698  987.167  243.770 330.0944 306.4439 
1 1 1  -21   17   38 o  846.920  143.808   12.288   3.6773   10.029   4.4335   17.267   6.5827  741.928  190.009  955.795  223.879 -213.8668 293.6409 
1 1 1  -21   17   40 o  558.019  175.753   5.6373   3.4280   2.1171   4.1359   13.363   6.1269  446.471  183.721  815.754  229.962 -369.2827 294.3392 
1 1 1  -21   17   42 f  1042.68  129.223   18.806   4.1286   15.086   4.9749   27.037   7.4000  890.349  184.508  1171.58  209.401 -281.2336 279.0912 
1 1 1  -21   17   44 o  327.160  147.436  -0.5781   3.1875   0.6427   3.6280  -4.7097   6.6744  374.936  163.665  393.949  188.797 -19.01285 249.8612 
1 1 1  -21   17   46 f  799.574  163.206   12.485   3.9479   12.255   4.6968   13.039   7.2874  755.630  196.619  692.304  255.122 63.32611 322.0968 
1 1 1  -21   17   48 o  841.136  162.967   14.284   4.1372   14.892   4.8965   12.765   7.7348  819.262  193.891  635.784  255.026 183.4779 320.3622 
1 1 1  -21   17   50 o  1980.85  112.759   71.508   6.9650   61.123   8.3183   95.867   12.740  1726.26  155.561  1992.39  207.236 -266.1274 259.1253 
1 1 1  -21   17   52 o  1603.81  119.901   49.603   5.9778   41.924   7.0679   68.898   11.204  1354.85  170.369  1516.26  244.281 -161.4011 297.8238 
1 1 1  -21   18    1 o  589.451  184.558   5.5488   3.7863   11.988   4.6496  -7.1280   6.5236  849.324  180.403  409.665  193.534 439.6594 264.5763 
1 1 1  -21   18    3 o  457.911  173.846   2.4255   3.4369   5.6135   4.1706  -4.3218   6.0673  598.495  194.419  427.181  196.656 171.3142 276.5362 
1 1 1  -21   18    5 o  804.162  138.444   10.551   3.3603   11.751   3.9277   7.2739   6.4903  846.267  153.891  697.175  242.588 149.0918 287.2828 
1 1 1  -21   18    7 o  866.940  131.869   12.184   3.4669   11.304   4.0047   14.816   6.9261  828.203  160.218  935.252  236.391 -107.0494 285.5704 
1 1 1  -21   18    9 o  553.912  157.654   5.0215   2.8654   3.7450   3.2970   8.9617   5.7927  504.040  173.041  739.817  227.730 -235.7776 286.0145 
1 1 1  -21   18   11 o  483.967  159.405   3.5899   2.8000   5.5760   3.2295  -2.4240   5.6196  583.376  167.800  437.238  196.521 146.1386 258.4132 
1 1 1  -21   18   13 o  1270.83  105.825   25.690   4.1728   28.220   4.9260   19.263   7.8517  1329.54  119.605  1064.38  241.168 265.1611 269.1974 
1 1 1  -21   18   15 f  500.117  168.406   3.7753   3.1217   3.7753   3.1217   0.0000   0.0000  500.117  168.406  ?   ?  0.000000 168.4062 
1 1 1  -21   18   17 o  765.641  142.210   9.6293   3.2838   13.521   3.8020  -1.8015   6.5159  911.967  137.407  485.385  215.300 426.5819 255.4109 
1 1 1  -21   18   19 o  1166.71  133.943   21.941   4.8046   21.941   4.8046   0.0000   0.0000  1166.71  133.943  ?   ?  0.000000 133.9434 
1 1 1  -21   18   21 o  3164.56  112.436  158.771   11.141  159.691   13.622  156.912   19.364  3163.94  137.497  3098.31  200.673 65.62451 243.2593 
1 1 1  -21   18   23 o  630.726  186.781   6.5727   3.9501   6.5727   3.9501   0.0000   0.0000  630.726  186.781  ?   ?  0.000000 186.7814 
1 1 1  -21   18   25 o  2312.95  102.234   84.744   7.4042   86.149   8.9700   81.739   13.116  2322.63  123.785  2233.18  189.358 89.45337 226.2281 
1 1 1  -21   18   27 o  1736.20  101.090   47.938   5.4720   51.114   6.5804   40.822   9.8516  1787.97  118.204  1563.31  206.293 224.6580 237.7581 
1 1 1  -21   18   29 o  1831.03   98.517   53.334   5.6276   52.754   6.7173   54.699   10.307  1814.51  118.885  1819.86  183.366 -5.355103 218.5327 
1 1 1  -21   18   31 o  1793.95  126.419   51.905   7.0559   45.360   9.6968   59.271   10.286  1645.39  191.810  1892.81  175.554 -247.4178 260.0199 
1 1 1  -21   18   33 o  1578.11  130.562   40.539   6.3938   32.752   9.0485   48.304   9.0358  1371.65  217.969  1700.68  172.044 -329.0316 277.6864 
1 1 1  -21   18   35 o  1223.55  112.588   24.369   4.2651   20.323   5.1428   33.284   7.6334  1098.42  153.736  1394.34  178.969 -295.9161 235.9334 
1 1 1  -21   18   37 o  692.709  171.227   8.5141   3.6928   9.4697   4.3421   6.0164   7.0202  723.637  189.415  625.497  245.511 98.13995 310.0867 
1 1 1  -21   18   39 o  837.328  156.818   12.353   3.9605   12.617   4.7876   11.780   7.0491  826.740  189.052  761.256  253.027 65.48431 315.8535 
1 1 1  -21   18   41 o  392.567  167.220   0.9519   3.6113  -2.0018   4.2235   8.9818   6.9639  354.560  163.533  664.435  248.500 -309.8742 297.4811 
1 1 1  -21   18   43 o  713.250  180.437   9.8557   4.0328   12.152   4.8435   4.6648   7.2816  779.146  198.090  551.546  236.255 227.6006 308.3116 
1 1 1  -21   18   45 o  1399.02  118.747   34.000   5.1528   30.583   6.0949   42.563   9.6478  1284.23  154.679  1402.03  227.566 -117.7999 275.1577 
1 1 1  -21   18   47 o  1890.54  111.171   62.302   6.5521   56.575   7.8004   76.025   12.074  1742.38  144.271  1864.78  210.468 -122.3916 255.1688 
1 1 1  -21   18   49 f  2168.16  113.430   84.169   7.6740   72.874   9.1681  110.601   14.025  1919.81  153.803  2193.04  206.684 -273.2212 257.6310 
1 1 1  -21   19    2 o  357.131  156.112  -0.6574   3.3112  -0.6478   3.8137  -0.6867   6.6738  385.362  168.020  514.105  223.224 -128.7430 279.3915 
1 1 1  -21   19    4 o  616.715  204.477   5.8673   4.6045   5.8673   4.6045   0.0000   0.0000  616.715  204.477  ?   ?  0.000000 204.4772 
1 1 1  -21   19    6 o  818.076  170.465   11.072   4.2250   14.253   5.2203   5.0329   7.1932  927.268  186.260  654.413  250.769 272.8550 312.3745 
1 1 1  -21   19    8 o  597.489  204.877   5.3242   4.6211   5.3242   4.6211   0.0000   0.0000  597.489  204.877  ?   ?  0.000000 204.8771 
1 1 1  -21   19   10 o  841.068  153.442   11.600   3.8921   10.122   4.7352   14.676   6.8335  778.462  194.748  932.018  234.385 -153.5560 304.7348 
1 1 1  -21   19   12 o  584.163  184.558   5.4214   3.7777   8.4533   4.6968  -0.1342   6.3578  714.020  201.364  511.565  219.988 202.4548 298.2319 
1 1 1  -21   19   14 o  1041.80  137.093   17.522   4.3635   17.522   4.3635   0.0000   0.0000  1041.80  137.093  ?   ?  0.000000 137.0933 
1 1 1  -21   19   16 o  678.315  155.572   7.6281   3.2340   8.2356   3.7607   5.9039   6.3360  703.273  172.165  653.882  238.349 49.39160 294.0254 
1 1 1  -21   19   18 o  821.704  141.321   11.037   3.5050   11.336   4.0340   10.115   7.0803  828.494  161.302  787.845  253.065 40.64972 300.1000 
1 1 1  -21   19   20 o  1240.13  116.419   24.572   4.4678   24.402   5.2717   25.005   8.4175  1230.52  139.270  1218.40  229.043 12.12280 268.0610 
1 1 1  -21   19   22 o  1972.47  127.642   62.082   7.8413   63.531   10.692   60.396   11.534  1979.61  174.264  1921.82  194.347 57.79248 261.0337 
1 1 1  -21   19   24 o  2566.76  106.167  104.317   8.5328  103.988   10.344  105.016   15.096  2552.52  129.843  2537.16  191.433 15.36230 231.3135 
1 1 1  -21   19   26 o  480.352  192.161   2.0461   4.3785  -0.8232   5.9284   5.4897   6.4946  476.844  208.652  640.686  239.909 -163.8419 317.9500 
1 1 1  -21   19   28 o  1822.22  178.293   54.544   10.043   54.544   10.043   0.0000   0.0000  1822.22  178.293  ?   ?  0.000000 178.2929 
1 1 1  -21   19   30 f  2146.97  126.788   74.176   8.4858   72.116   11.861   76.337   12.145  2086.45  183.419  2147.70  182.318 -61.25146 258.6163 
1 1 1  -21   19   32 o  2861.48  110.014  131.159   9.8573  126.290   11.977  141.381   17.355  2790.51  137.066  2899.37  192.256 -108.8579 236.1137 
1 1 1  -21   19   34 o  1626.76  108.799   42.784   5.5100   45.618   6.5854   36.169   10.061  1670.70  126.829  1417.06  234.977 253.6320 267.0207 
1 1 1  -21   19   36 o  2372.38  105.414   91.054   7.8307   86.970   9.5447   99.463   13.696  2293.10  133.507  2396.89  183.885 -103.7834 227.2394 
1 1 1  -21   19   38 o  958.021  146.523   15.765   4.2557   18.971   4.9944   7.2671   8.1312  1045.80  157.394  659.280  262.483 386.5153 306.0555 
1 1 1  -21   19   40 o  622.334  183.257   7.1838   3.8117   8.3585   4.4125   3.7294   7.5666  663.897  197.595  565.464  241.489 98.43286 312.0265 
1 1 1  -21   19   42 o  443.114  189.691   1.5899   4.6890  -0.9410   6.4989   4.3379   6.7719  450.121  205.850  549.033  231.190 -98.91229 309.5529 
1 1 1  -21   19   44 o  1032.70  141.446   19.051   4.4537   21.108   5.3004   14.113   8.2138  1066.25  164.014  748.982  271.630 317.2700 317.3065 
1 1 1  -21   19   46 o  676.931  190.503   9.5665   4.2084   9.4894   4.8431   9.8043   8.5036  655.684  209.161  620.581  260.074 35.10370 333.7467 
1 1 1  -21   19   48 o  686.190  215.661   11.331   5.1645   11.331   5.1645   0.0000   0.0000  686.190  215.661  ?   ?  0.000000 215.6608 
1 1 1  -21   20    1 o  659.160  176.046   7.1755   3.7022   5.2140   4.1194   15.415   8.4427  583.563  193.402  956.714  270.033 -373.1508 332.1478 
1 1 1  -21   20    3 o  854.817  150.383   11.931   3.8782   12.278   4.4021   10.727   8.1973  863.607  168.839  823.622  272.816 39.98468 320.8350 
1 1 1  -21   20    5 f  708.860  165.066   8.3156   3.5955   8.8856   4.0107   5.9822   8.1149  731.834  176.963  701.940  266.976 29.89423 320.2999 
1 1 1  -21   20    7 o  373.375  161.638  -0.4075   3.4786  -0.4075   3.4786   0.0000   0.0000  373.375  161.638  ?   ?  0.000000 161.6379 
1 1 1  -21   20    9 o  247.566  120.823  -5.6576   3.0648  -5.6576   3.0648   0.0000   0.0000  247.566  120.823  ?   ?  0.000000 120.8227 
1 1 1  -21   20   11 o  601.614  192.437   5.7012   4.0974   8.6737   4.8933  -1.2735   7.4955  724.553  205.952  535.511  234.461 189.0424 312.0713 
1 1 1  -21   20   13 o  560.599  196.434   4.5209   4.2591  -0.0000   5.3223   12.571   7.1023  472.594  202.198  866.690  248.712 -394.0962 320.5336 
1 1 1  -21   20   15 o  1120.57  146.287   20.278   5.0104   16.777   6.3694   25.962   8.1151  1002.17  209.709  1251.43  214.833 -249.2667 300.2187 
1 1 1  -21   20   17 o  545.274  193.906   4.1797   4.1630   3.9641   5.0095   4.6608   7.4845  563.054  210.729  652.604  254.242 -89.55023 330.2202 
1 1 1  -21   20   19 o  1539.03  136.842   37.911   6.5257   47.224   8.5945   25.234   10.028  1711.95  162.267  1213.52  270.779 498.4304 315.6768 
1 1 1  -21   20   23 o  1134.85  168.563   21.108   5.8079   20.329   7.8555   22.046   8.6255  1092.37  236.515  1134.27  249.627 -41.89685 343.8792 
1 1 1  -21   20   25 o  972.376  184.625   15.793   5.4158   23.888   6.8397   2.1875   8.8673  1200.17  188.190  633.945  265.622 566.2204 325.5308 
1 1 1  -21   20   27 o  2084.18  133.923   69.790   8.6937   78.132   12.025   60.655   12.583  2185.31  177.264  1904.52  214.753 280.7950 278.4622 
1 1 1  -21   20   29 o  1807.92  131.837   52.775   7.4119   45.476   10.009   61.639   11.029  1646.41  198.123  1927.37  185.029 -280.9565 271.0872 
1 1 1  -21   20   31 o  2199.14  134.936   78.541   9.2469   92.280   12.853   63.800   13.314  2355.86  175.490  1920.41  225.708 435.4525 285.9037 
1 1 1  -21   20   33 o  922.309  197.496   14.947   5.5316   13.826   7.3954   16.370   8.3342  863.646  255.527  931.216  270.060 -67.56940 371.7876 
1 1 1  -21   20   35 o  1038.33  186.604   18.907   5.8440   22.098   7.8568   14.956   8.7433  1091.20  236.753  873.226  281.295 217.9713 367.6667 
1 1 1  -21   20   37 f  2579.10  137.117  110.867   11.034  105.781   15.252  116.451   15.981  2435.30  201.838  2556.50  201.258 -121.1990 285.0322 
1 1 1  -21   20   39 f  1018.24  191.195   18.942   5.8721   22.476   7.8648   14.490   8.8272  1068.00  240.915  822.460  283.095 245.5392 371.7290 
1 1 1  -21   20   41 o  381.698  176.457  -2.3251   4.9599   2.3544   6.3930  -9.4001   7.8609  511.031  220.180  402.459  195.768 108.5721 294.6261 
1 1 1  -21   20   43 o  765.854  226.793   12.343   5.8238   13.367   7.4466   10.730   9.3450  764.244  260.088  687.388  278.695 76.85553 381.2044 
1 1 1  -21   20   45 o  1442.40  164.221   38.729   7.2848   41.077   9.7117   35.707   11.016  1385.85  232.002  1178.73  298.223 207.1183 377.8384 
1 1 1  -21   20   47 o  720.860  237.112   12.816   6.1961   11.175   8.2269   14.967   9.4187  638.810  260.551  696.723  280.731 -57.91321 383.0104 
1 1 1  -21   21    2 o  1412.83  140.981   31.914   6.1536   31.914   6.1536   0.0000   0.0000  1412.83  140.981  ?   ?  0.000000 140.9812 
1 1 1  -21   21    4 o  577.534  232.210   2.6912   6.4293   8.8039   8.1155  -7.6108   10.536  772.781  271.132  558.912  257.959 213.8680 374.2402 
1 1 1  -21   21    6 o  672.198  179.784   7.4561   3.8578   8.4292   4.2212   2.5236   9.5037  713.576  186.750  669.902  277.351 43.67432 334.3641 
1 1 1  -21   21    8 o  1316.28  121.624   27.588   4.9561   24.917   5.5762   37.636   10.814  1245.63  145.720  1509.50  236.571 -263.8682 277.8487 
1 1 1  -21   21   10 o  867.320  162.606   12.337   4.2538   11.201   4.7392   17.049   9.6488  821.261  188.309  1005.52  290.280 -184.2618 346.0100 
1 1 1  -21   21   12 o  778.870  214.002   10.078   5.3799   7.1653   6.7203   15.275   8.9772  701.214  246.686  954.610  281.274 -253.3956 374.1245 
1 1 1  -21   21   14 o  513.514  201.053   2.6186   4.6983   3.0388   5.7580   1.7814   8.1268  562.435  221.840  612.828  255.323 -50.39331 338.2348 
1 1 1  -21   21   16 f  1422.74  206.111   33.225   8.9147   33.225   8.9147   0.0000   0.0000  1422.74  206.111  ?   ?  0.000000 206.1109 
1 1 1  -21   21   18 o  719.481  274.094   6.4077   8.5621   0.0000   0.0000   6.4077   8.5621  ?   ?   719.481  274.094 0.000000 274.0943 
1 1 1  -21   21   20 o  2455.72  200.857   98.082   15.310   0.0000   0.0000   98.082   15.310  ?   ?   2455.72  200.857 0.000000 200.8575 
1 1 1  -21   21   24 o  1483.09  234.430   37.158   10.525   0.0000   0.0000   37.158   10.525  ?   ?   1483.09  234.430 0.000000 234.4302 
1 1 1  -21   21   26 o  1259.57  253.760   27.610   9.6624   0.0000   0.0000   27.610   9.6624  ?   ?   1259.57  253.760 0.000000 253.7601 
1 1 1  -21   21   28 o  507.922  232.030  -4.0441   8.2287   0.0000   0.0000  -4.0441   8.2287  ?   ?   507.922  232.030 0.000000 232.0303 
1 1 1  -21   21   30 o  1280.04  250.993   29.248   9.7006   0.0000   0.0000   29.248   9.7006  ?   ?   1280.04  250.993 0.000000 250.9929 
1 1 1  -21   21   32 o  1987.89  138.970   64.695   8.5959   60.439   11.852   69.418   12.485  1873.97  205.350  2013.34  200.719 -139.3661 287.1524 
1 1 1  -21   21   34 o  1809.35  138.565   53.998   7.7907   52.764   10.440   55.549   11.704  1747.07  194.120  1774.74  214.994 -27.67371 289.6633 
1 1 1  -21   21   36 f  760.191  224.010   10.717   5.6937   10.812   7.4429   10.583   8.8407  758.286  260.011  757.266  280.625 1.020447 382.5652 
1 1 1  -21   21   38 o  386.276  179.463  -3.2293   5.2259 -11.8256   6.7876   9.2832   8.1891  354.354  174.340  708.964  268.543 -354.6096 320.1718 
1 1 1  -21   21   40 o  764.889  229.791   11.561   5.9470   4.0761   7.8163   21.849   9.1642  581.828  246.869  1006.50  280.371 -424.6685 373.5668 
1 1 1  -21   21   42 o  1037.51  203.937   20.635   6.3891   16.188   8.3909   26.770   9.8559  843.871  275.850  1087.16  285.763 -243.2896 397.1826 
1 1 1  -21   21   44 o  1145.72  194.989   25.400   6.7447   28.812   8.8388   20.644   10.436  1148.77  252.599  873.486  307.394 275.2802 397.8658 
1 1 1  -21   22    1 o  1060.45  175.994   18.381   5.6391   18.381   5.6391   0.0000   0.0000  1060.45  175.994  ?   ?  0.000000 175.9944 
1 1 1  -21   22    3 o  928.863  177.319   14.191   4.9692   14.191   4.9692   0.0000   0.0000  928.863  177.319  ?   ?  0.000000 177.3192 
1 1 1  -21   22    5 o  476.148  225.758 -10.4058   9.0302 -10.4058   9.0302   0.0000   0.0000  476.148  225.758  ?   ?  0.000000 225.7581 
1 1 1  -21   22    7 o  1091.08  236.435   19.933   7.8444   18.734   10.145   21.716   12.370  1051.83  295.701  1128.95  329.478 -77.11804 442.7133 
1 1 1  -21   22    9 o  696.323  249.553   6.8247   6.9080   4.5074   8.8096   10.524   11.132  688.481  273.495  864.402  315.799 -175.9219 417.7661 
1 1 1  -21   22   11 o  1022.92  218.461   17.460   6.7846   19.704   8.9215   14.382   10.448  1078.28  265.905  942.066  307.809 136.2104 406.7575 
1 1 1  -21   22   13 o  699.236  260.235   6.3665   7.6188   6.3665   7.6188   0.0000   0.0000  699.236  260.235  ?   ?  0.000000 260.2350 
1 1 1  -21   22   15 o  568.125  220.300   3.4683   5.5994  -1.8519   7.1377   11.982   9.0291  511.914  226.286  864.930  286.315 -353.0157 364.9407 
1 1 1  -21   22   17 o  476.757  204.877  -0.1448   5.5075  -1.0178   6.7711   1.5620   9.4673  511.235  223.364  647.818  273.102 -136.5825 352.8114 
1 1 1  -21   22   19 o  1186.49  267.876   24.175   9.7164   0.0000   0.0000   24.175   9.7164  ?   ?   1186.49  267.876 0.000000 267.8757 
1 1 1  -21   22   21 o  834.775  249.072   11.760   7.0045   11.760   7.0045   0.0000   0.0000  834.775  249.072  ?   ?  0.000000 249.0718 
1 1 1  -21   22   23 o  1242.25  241.572   26.414   9.0583   26.414   9.0583   0.0000   0.0000  1242.25  241.572  ?   ?  0.000000 241.5718 
1 1 1  -21   22   25 o  847.113  215.505   12.327   5.7300   19.735   7.9134   4.1626   8.3079  1065.22  242.669  652.258  263.361 412.9635 358.1165 
1 1 1  -21   22   29 o  794.511  284.878   10.491   9.0032   0.0000   0.0000   10.491   9.0032  ?   ?   794.511  284.878 0.000000 284.8782 
1 1 1  -21   22   33 o  649.540  274.251   3.7309   9.5710   0.0000   0.0000   3.7309   9.5710  ?   ?   649.540  274.251 0.000000 274.2511 
1 1 1  -21   22   35 o  858.675  297.300   14.363   9.7422   0.0000   0.0000   14.363   9.7422  ?   ?   858.675  297.300 0.000000 297.2997 
1 1 1  -21   22   41 o  749.217  293.976   11.913   10.062   0.0000   0.0000   11.913   10.062  ?   ?   749.217  293.976 0.000000 293.9763 
1 1 1  -21   22   43 o  1125.16  217.578   24.963   7.3884   38.163   9.3849   3.4456   11.982  1388.80  223.384  612.435  279.858 776.3671 358.0796 
1 1 1  -21   23    2 o  727.084  299.725   3.5397   11.032   0.0000   0.0000   3.5397   11.032  ?   ?   727.084  299.725 0.000000 299.7253 
1 1 1  -21   23    6 o  1373.31  262.604   31.713   10.881   31.713   10.881   0.0000   0.0000  1373.31  262.604  ?   ?  0.000000 262.6040 
1 1 1  -21   23    8 o  840.217  299.886   10.374   9.9659   10.374   9.9659   0.0000   0.0000  840.217  299.886  ?   ?  0.000000 299.8863 
1 1 1  -21   23   10 o  1144.27  274.625   22.315   9.7146   22.315   9.7146   0.0000   0.0000  1144.27  274.625  ?   ?  0.000000 274.6251 
1 1 1  -21   23   12 o  1385.62  238.483   32.008   9.9739   32.008   9.9739   0.0000   0.0000  1385.62  238.483  ?   ?  0.000000 238.4830 
1 1 1  -21   23   14 o  1105.21  203.982   20.276   6.7991   24.523   8.9269   14.408   10.492  1205.73  244.807  937.921  308.557 267.8047 393.8756 
1 1 1  -21   23   16 o  1262.18  180.996   26.062   6.9486   28.409   9.1834   22.920   10.628  1301.72  233.900  1149.86  294.021 151.8645 375.7093 
1 1 1  -21   23   20 f  749.292  232.564   9.2873   6.0270   10.136   7.8612   8.0767   9.3873  793.949  267.245  767.268  288.210 26.68054 393.0457 
1 1 1  -21   23   22 o  528.123  213.997   2.2526   5.5063  -6.2678   6.6631   20.603   9.7784  423.528  198.680  1080.78  284.905 -657.2502 347.3390 
1 1 1  -21   23   24 o  805.538  213.427   11.105   5.4695   15.714   8.0803   7.2077   7.4305  946.679  263.114  703.145  257.841 243.5339 368.3893 
1 1 1  -21   23   26 o  955.236  273.409   16.246   8.5930   16.246   8.5930   0.0000   0.0000  955.236  273.409  ?   ?  0.000000 273.4090 
1 1 1  -21   23   28 o  801.623  257.328   11.125   7.3217   0.0000   0.0000   11.125   7.3217  ?   ?   801.623  257.328 0.000000 257.3277 
1 1 1  -21   23   30 o  384.026  179.983  -4.8245   5.4466 -12.3056   7.4063   3.9861   8.0375  385.135  187.932  630.253  257.352 -245.1182 318.6663 
1 1 1  -21   23   32 o  533.848  221.401   2.2144   6.0710   9.6216   7.8276  -8.9677   9.6175  751.338  266.027  490.244  232.600 261.0939 353.3742 
1 1 1  -21   23   34 o  410.136  188.002  -2.8731   5.4647  -6.1950   6.6951   3.7576   9.4589  414.569  195.915  645.737  272.643 -231.1674 335.7328 
1 1 1  -21   23   36 o  690.934  290.822   5.6567   10.709   0.0000   0.0000   5.6567   10.709  ?   ?   690.934  290.822 0.000000 290.8223 
1 1 1  -21   24    1 o  348.801  172.469 -15.3695   6.9340  -7.6750   9.3652 -24.7054   10.316  515.419  239.723  412.216  204.947 103.2039 315.3888 
1 1 1  -21   24    3 o  607.963  246.649   2.8430   7.3244  -1.4893   10.868   6.4478   9.9139  643.543  282.030  752.243  292.734 -108.6997 406.4898 
1 1 1  -21   24    5 o  768.781  259.302   9.1919   7.4011   2.7828   9.9857   17.004   11.025  685.134  284.030  1006.15  314.909 -321.0193 424.0763 
1 1 1  -21   24    7 o  816.520  295.191   9.6288   9.6894   9.6288   9.6894   0.0000   0.0000  816.520  295.191  ?   ?  0.000000 295.1906 
1 1 1  -21   24    9 o  687.809  250.530   6.5272   6.9982   2.4060   9.4209   11.601   10.453  662.184  275.310  872.731  307.597 -210.5472 412.8096 
1 1 1  -21   24   13 o  844.110  285.116   11.318   8.9481   11.318   8.9481   0.0000   0.0000  844.110  285.116  ?   ?  0.000000 285.1157 
1 1 1  -21   24   15 o  1331.17  251.362   29.993   10.093   29.993   10.093   0.0000   0.0000  1331.17  251.362  ?   ?  0.000000 251.3619 
1 1 1  -21   24   19 o  690.472  267.619   5.6755   8.2602   5.6755   8.2602   0.0000   0.0000  690.472  267.619  ?   ?  0.000000 267.6192 
1 1 1  -21   24   21 o  1337.55  228.314   30.222   9.2190   30.222   9.2190   0.0000   0.0000  1337.55  228.314  ?   ?  0.000000 228.3140 
1 1 1  -21   24   23 o  1145.83  261.616   22.938   9.1801   22.938   9.1801   0.0000   0.0000  1145.83  261.616  ?   ?  0.000000 261.6163 
1 1 1  -21   24   25 o  993.111  204.088   16.784   6.1343   11.948   9.0042   20.973   8.3798  843.823  286.004  1095.14  249.888 -251.3121 379.7924 
1 1 1  -21   24   27 o  1123.77  187.259   21.234   6.3574   25.321   9.3071   17.658   8.7046  1197.95  255.892  992.917  271.964 205.0324 373.4231 
1 1 1  -21   24   29 o  419.160  189.400  -2.2531   5.3011  -2.1256   8.0731  -2.3497   7.0288  527.820  236.511  487.620  219.417 40.19971 322.6164 
1 1 1  -21   24   31 o  557.043  218.432   3.6815   5.5521  -0.4352   8.3345   6.9659   7.4445  558.497  245.811  683.778  256.696 -125.2809 355.4095 
1 1 1  -21   24   33 o  813.534  229.268   11.866   6.0909   6.8882   9.1489   15.828   8.1629  705.380  279.184  923.354  267.122 -217.9738 386.3906 
1 1 1  -21   24   35 o  1040.58  291.279   21.137   9.8660   21.137   9.8660   0.0000   0.0000  1040.58  291.279  ?   ?  0.000000 291.2792 
1 1 1  -21   24   37 o  1317.59  266.072   33.154   10.599   33.154   10.599   0.0000   0.0000  1317.59  266.072  ?   ?  0.000000 266.0718 
1 1 1  -21   25    2 o  417.152  200.825 -11.2483   7.7529  -9.8170   10.783 -12.7799   11.155  541.159  253.506  525.354  249.620 15.80505 355.7750 
1 1 1  -21   25    4 o  680.214  263.820   5.2083   8.0315  -4.1045   11.063   15.588   11.679  614.380  275.969  976.632  325.742 -362.2515 426.9272 
1 1 1  -21   25    6 o  466.625  227.234 -18.0999   10.673   0.0000   0.0000 -18.0999   10.673  ?   ?   466.625  227.234 0.000000 227.2336 
1 1 1  -21   25    8 o  1087.03  321.951   20.325   11.735   0.0000   0.0000   20.325   11.735  ?   ?   1087.03  321.951 0.000000 321.9509 
1 1 1  -21   25   10 o  766.874  298.333   6.8263   10.294   6.8263   10.294   0.0000   0.0000  766.874  298.333  ?   ?  0.000000 298.3332 
1 1 1  -21   25   12 o  761.810  302.533   6.0585   10.777   6.0585   10.777   0.0000   0.0000  761.810  302.533  ?   ?  0.000000 302.5328 
1 1 1  -21   25   14 o  654.610  248.799   5.2765   7.0443  -1.1761   9.4983   13.164   10.501  603.398  264.065  905.499  308.858 -302.1011 406.3538 
1 1 1  -21   25   16 o  565.206  254.929  -3.9400   9.5535  -3.9400   9.5535   0.0000   0.0000  565.206  254.929  ?   ?  0.000000 254.9288 
1 1 1  -21   25   18 o  757.384  250.406   9.2092   6.9071   16.662   9.2129  -0.3565   10.438  982.663  283.639  641.572  278.865 341.0911 397.7648 
1 1 1  -21   25   20 o  750.948  283.368   7.6136   9.0962   7.6136   9.0962   0.0000   0.0000  750.948  283.368  ?   ?  0.000000 283.3680 
1 1 1  -21   25   22 o  722.100  277.283   6.6883   8.8062   6.6883   8.8062   0.0000   0.0000  722.100  277.283  ?   ?  0.000000 277.2833 
1 1 1  -21   25   24 o  928.649  287.850   15.017   9.2366   15.017   9.2366   0.0000   0.0000  928.649  287.850  ?   ?  0.000000 287.8496 
1 1 1  -21   25   26 o  721.084  267.231   7.5686   8.0171   7.5686   8.0171   0.0000   0.0000  721.084  267.231  ?   ?  0.000000 267.2311 
1 1 1  -21   25   28 o  805.856  318.861   8.6652   11.931   8.6652   11.931   0.0000   0.0000  805.856  318.861  ?   ?  0.000000 318.8608 
1 1 1  -21   25   30 f  1202.97  182.843   24.328   6.6705   62.000   10.526  -0.9511   8.6229  1935.38  175.609  563.107  248.827 1372.272 304.5542 
1 1 1  -21   25   32 o  373.428  177.766  -6.5088   5.7094   0.6945   8.6916 -11.9761   7.5722  586.928  254.793  393.895  191.725 193.0328 318.8704 
1 1 1  -21   25   34 o  846.146  237.255   12.955   6.5399   6.8583   9.7819   17.883   8.7944  714.652  286.748  975.439  275.697 -260.7867 397.7856 
1 1 1  -21   25   36 o  1229.43  199.872   26.434   7.4300   29.974   10.606   23.023   10.412  1253.61  277.527  1079.35  298.186 174.2533 407.3526 
1 1 1  -21   26    1 o  844.430  333.711   7.8867   13.053   7.8867   13.053   0.0000   0.0000  844.430  333.711  ?   ?  0.000000 333.7108 
1 1 1  -21   26    3 o  669.121  276.174   2.8406   9.3814  -8.2506   13.844   12.258   12.757  650.246  298.497  919.945  337.769 -269.6989 450.7638 
1 1 1  -21   26    5 o  1041.53  277.558   18.518   9.2157   15.209   12.918   21.947   13.151  981.461  342.206  1128.91  342.288 -147.4500 484.0108 
1 1 1  -21   26    7 o  413.454  200.850 -13.6320   8.2018 -12.3136   11.358 -15.0689   11.857  536.440  254.006  528.673  252.906 7.766235 358.4423 
1 1 1  -21   26    9 o  983.068  345.654   15.196   13.193   15.196   13.193   0.0000   0.0000  983.068  345.654  ?   ?  0.000000 345.6535 
1 1 1  -21   26   11 o  881.896  333.416   10.496   12.608   10.496   12.608   0.0000   0.0000  881.896  333.416  ?   ?  0.000000 333.4164 
1 1 1  -21   26   13 o  910.352  273.009   13.941   8.3998   21.064   11.966   7.0203   11.794  1102.75  324.679  801.461  317.059 301.2938 453.8095 
1 1 1  -21   26   15 o  605.750  246.498   2.8026   7.3420   3.1117   10.026   2.4453   10.781  688.889  285.018  697.628  292.623 -8.739319 408.4894 
1 1 1  -21   26   17 f  610.693  246.165   3.2061   7.2452   1.0434   9.8056   5.8066   10.752  646.468  275.464  753.683  301.260 -107.2151 408.2133 
1 1 1  -21   26   19 o  682.437  254.506   6.2302   7.2944  -7.1505   9.9025   22.104   10.785  536.688  248.538  1122.84  300.737 -586.1551 390.1458 
1 1 1  -21   26   21 o  466.629  213.118  -4.0051   6.9370  -7.8654   9.4222   0.5641   10.251  511.149  238.641  648.289  279.064 -137.1392 367.1873 
1 1 1  -21   26   23 o  539.670  230.313   0.5373   6.8738  -2.7969   9.1205   4.9215   10.458  562.352  251.728  723.905  294.344 -161.5532 387.3055 
1 1 1  -21   26   25 o  657.593  249.991   5.6193   7.1130   10.480   9.5030  -0.5734   10.726  817.376  292.721  640.077  280.354 177.2993 405.3197 
1 1 1  -21   26   27 o  957.207  342.042   15.590   12.968   15.590   12.968   0.0000   0.0000  957.207  342.042  ?   ?  0.000000 342.0424 
1 1 1  -21   26   29 o  861.810  334.550   10.994   12.924   10.994   12.924   0.0000   0.0000  861.810  334.550  ?   ?  0.000000 334.5503 
1 1 1  -21   26   31 o  657.187  280.184   2.3758   10.155   2.3758   10.155   0.0000   0.0000  657.187  280.184  ?   ?  0.000000 280.1839 
1 1 1  -21   27    2 o  1029.81  355.752   16.988   13.946   0.0000   0.0000   16.988   13.946  ?   ?   1029.81  355.752 0.000000 355.7516 
1 1 1  -21   27    4 o  655.047  279.903   0.6009   10.176   9.1141   14.993  -6.6687   13.855  903.186  357.424  667.909  303.547 235.2770 468.9268 
1 1 1  -21   27    6 o  1013.10  355.185   16.159   13.926   0.0000   0.0000   16.159   13.926  ?   ?   1013.10  355.185 0.000000 355.1847 
1 1 1  -21   27    8 o  575.630  273.877 -15.5755   13.515 -15.5755   13.515   0.0000   0.0000  575.630  273.877  ?   ?  0.000000 273.8770 
1 1 1  -21   27   10 o  826.735  292.113   10.235   9.4332   24.489   13.511  -3.3215   13.176  1186.80  343.755  685.933  305.118 500.8688 459.6355 
1 1 1  -21   27   12 o  1170.10  260.296   23.265   9.2907   25.008   13.153   21.530   13.125  1197.41  336.719  1118.49  342.548 78.92017 480.3322 
1 1 1  -21   27   14 o  580.188  250.570  -0.2864   8.3193  -7.6479   11.679   7.2954   11.853  591.767  272.581  808.500  318.478 -216.7332 419.2003 
1 1 1  -21   27   16 o  590.811  250.191   0.9563   8.0031   16.265   11.099 -15.6233   11.551  984.776  316.901  513.107  246.554 471.6686 401.5163 
1 1 1  -21   27   18 o  405.329  196.795 -12.8361   7.8451 -16.8230   11.316  -9.1466   10.886  495.549  239.559  549.230  256.449 -53.68112 350.9344 
1 1 1  -21   27   20 o  771.085  266.943   9.2117   7.8541   8.2615   10.745   10.302   11.509  799.432  306.457  853.526  319.412 -54.09332 442.6513 
1 1 1  -21   27   22 o  523.430  244.558  -8.3492   9.9246  -8.3492   9.9246   0.0000   0.0000  523.430  244.558  ?   ?  0.000000 244.5576 
1 1 1  -21   27   24 f  584.164  262.702  -3.4323   10.058  -3.4323   10.058   0.0000   0.0000  584.164  262.702  ?   ?  0.000000 262.7015 
1 1 1  -21   27   26 o  606.157  257.694   1.2736   8.5456  -4.8786   13.472   5.4157   11.054  661.023  299.994  742.934  302.407 -81.91113 425.9654 
1 1 1  -21   27   28 o  1118.59  278.054   22.302   9.6970   21.304   14.507   23.107   13.038  1079.13  363.036  1118.43  341.199 -39.29895 498.2089 
1 1 1  -21   28    1 o  809.798  329.108   5.5747   13.066   0.0000   0.0000   5.5747   13.066  ?   ?   809.798  329.108 0.000000 329.1077 
1 1 1  -21   28    3 o  768.631  324.691   2.2898   13.426   0.0000   0.0000   2.2898   13.426  ?   ?   768.631  324.691 0.000000 324.6910 
1 1 1  -21   28    5 o  719.727  295.753   3.5517   10.699  -0.6859   17.433   6.1128   13.552  824.004  359.250  829.266  335.828 -5.261780 491.7729 
1 1 1  -21   28    7 o  927.147  363.732   10.040   15.402   10.040   15.402   0.0000   0.0000  927.147  363.732  ?   ?  0.000000 363.7320 
1 1 1  -21   28    9 f  659.972  277.556   1.6435   9.7407 -10.5051   14.627   11.324   13.057  652.121  302.020  909.650  340.257 -257.5287 454.9625 
1 1 1  -21   28   11 o  695.558  305.871  -1.9807   12.880   0.0000   0.0000  -1.9807   12.880  ?   ?   695.558  305.871 0.000000 305.8709 
1 1 1  -21   28   13 o  1023.14  346.968   17.014   13.252   0.0000   0.0000   17.014   13.252  ?   ?   1023.14  346.968 0.000000 346.9676 
1 1 1  -21   28   15 o  767.932  317.346   4.1071   12.409   0.0000   0.0000   4.1071   12.409  ?   ?   767.932  317.346 0.000000 317.3464 
1 1 1  -21   28   17 o  488.420  227.987  -7.5301   8.5933  -5.1308   12.557  -9.6435   11.785  645.514  291.606  574.289  267.708 71.22449 395.8555 
1 1 1  -21   28   19 o  677.962  271.042   4.3937   8.7050   9.6423   11.534  -2.5519   13.269  844.254  318.968  693.900  307.539 150.3536 443.0808 
1 1 1  -21   28   21 o  702.590  278.884   5.1213   9.1537   4.9864   12.466   5.2792   13.485  777.177  319.281  803.581  331.329 -26.40405 460.1300 
1 1 1  -21   28   23 o  1015.90  327.232   17.777   11.832   17.777   11.832   0.0000   0.0000  1015.90  327.232  ?   ?  0.000000 327.2320 
1 1 1  -21   29    2 o  694.521  304.208  -1.7086   12.630   0.0000   0.0000  -1.7086   12.630  ?   ?   694.521  304.208 0.000000 304.2082 
1 1 1  -21   29    4 o  780.619  324.204   3.6189   13.044   0.0000   0.0000   3.6189   13.044  ?   ?   780.619  324.204 0.000000 324.2043 
1 1 1  -21   29    6 o  742.115  309.533   2.8600   11.963   0.0000   0.0000   2.8600   11.963  ?   ?   742.115  309.533 0.000000 309.5332 
1 1 1  -21   29    8 o  729.230  313.871   0.2362   12.965   0.0000   0.0000   0.2362   12.965  ?   ?   729.230  313.871 0.000000 313.8715 
1 1 1  -21   29   10 o  816.667  301.496   9.1039   10.185   3.8623   15.735   12.884   13.363  843.713  353.691  945.597  345.921 -101.8840 494.7309 
1 1 1  -21   29   12 o  748.166  293.017   6.0570   9.9818   10.906   15.137   2.3267   13.278  936.783  362.505  765.303  323.069 171.4800 485.5752 
1 1 1  -21   29   14 o  771.443  327.212   2.0813   13.724   0.0000   0.0000   2.0813   13.724  ?   ?   771.443  327.212 0.000000 327.2119 
1 1 1  -20    0    2 o  1435.19  102.429   32.960   4.5492   32.960   4.5492   32.960   4.5492  1435.19  102.429  1435.19  102.429 -0.000000 0.000000 
1 1 1  -20    0    4 o  372.399  158.424   3.1178   1.8775   3.1178   1.8775   3.1178   1.8775  372.399  158.424  372.399  158.424 -0.000000 0.000000 
1 1 1  -20    0    6 o  1290.26  103.050   26.730   4.1023   26.730   4.1023   26.730   4.1023  1290.26  103.050  1290.26  103.050 -0.000000 0.000000 
1 1 1  -20    0    8 o  651.341  135.100   7.4975   2.4309   7.4975   2.4309   7.4975   2.4309  651.341  135.100  651.341  135.100 -0.000000 0.000000 
1 1 1  -20    0   10 o  2278.05  112.826   82.503   8.0030   82.503   8.0030   82.503   8.0030  2278.05  112.826  2278.05  112.826 -0.000000 0.000000 
1 1 1  -20    0   12 o  1352.22  107.233   29.377   4.4747   29.377   4.4747   29.377   4.4747  1352.22  107.233  1352.22  107.233 -0.000000 0.000000 
1 1 1  -20    0   14 o  667.027  146.833   7.9776   2.6834   7.9776   2.6834   7.9776   2.6834  667.027  146.833  667.027  146.833 -0.000000 0.000000 
1 1 1  -20    0   16 o  1796.17  156.199   52.524   8.6322   52.524   8.6322   52.524   8.6322  1796.17  156.199  1796.17  156.199 -0.000000 0.000000 
1 1 1  -20    0   18 o  605.492  200.800   7.4997   3.3869   7.4997   3.3869   7.4997   3.3869  605.492  200.800  605.492  200.800 -0.000000 0.000000 
1 1 1  -20    0   20 o  1977.07  159.474   63.600   9.7248   63.600   9.7248   63.600   9.7248  1977.07  159.474  1977.07  159.474 -0.000000 0.000000 
1 1 1  -20    0   22 o  259.946  161.141   0.7969   2.6140   0.7969   2.6140   0.7969   2.6140  259.946  161.141  259.946  161.141 -0.000000 0.000000 
1 1 1  -20    0   24 o  154.056  107.153  -1.6404   1.8360  -1.6404   1.8360  -1.6404   1.8360  154.056  107.153  154.056  107.153 -0.000000 0.000000 
1 1 1  -20    0   26 o  936.301  118.151   14.525   3.3140   14.525   3.3140   14.525   3.3140  936.301  118.151  936.301  118.151 -0.000000 0.000000 
1 1 1  -20    0   28 f  3625.75  214.132  216.971   24.117  216.971   24.117  216.971   24.117  3625.75  214.132  3625.75  214.132 -0.000000 0.000000 
1 1 1  -20    0   30 o  2532.04  121.450  102.630   9.5786  102.630   9.5786  102.630   9.5786  2532.04  121.450  2532.04  121.450 -0.000000 0.000000 
1 1 1  -20    0   32 o  1215.20  111.473   24.005   4.1596   24.005   4.1596   24.005   4.1596  1215.20  111.473  1215.20  111.473 -0.000000 0.000000 
1 1 1  -20    0   34 o  1798.91  112.093   51.918   6.2578   51.918   6.2578   51.918   6.2578  1798.91  112.093  1798.91  112.093 -0.000000 0.000000 
1 1 1  -20    0   36 o  3230.40  137.973  167.208   13.898  167.208   13.898  167.208   13.898  3230.40  137.973  3230.40  137.973 -0.000000 0.000000 
1 1 1  -20    0   38 o  1419.89  113.499   32.513   4.9720   32.513   4.9720   32.513   4.9720  1419.89  113.499  1419.89  113.499 -0.000000 0.000000 
1 1 1  -20    0   40 o  3731.50  217.417  229.001   25.206  229.001   25.206  229.001   25.206  3731.50  217.417  3731.50  217.417 -0.000000 0.000000 
1 1 1  -20    0   42 o  343.077  207.330   1.9730   4.0859   1.9730   4.0859   1.9730   4.0859  343.077  207.330  343.077  207.330 -0.000000 0.000000 
1 1 1  -20    0   44 o  340.807  207.527   1.8353   4.1595   1.8353   4.1595   1.8353   4.1595  340.807  207.527  340.807  207.527 -0.000000 0.000000 
1 1 1  -20    0   46 o  249.598  166.182  -0.9362   3.5030  -0.9362   3.5030  -0.9362   3.5030  249.598  166.182  249.598  166.182 -0.000000 0.000000 
1 1 1  -20    0   48 o  1872.54  115.080   56.195   6.6892   56.195   6.6892   56.195   6.6892  1872.54  115.080  1872.54  115.080 -0.000000 0.000000 
1 1 1  -20    0   50 o  476.914  199.037   5.1745   2.9730   5.1745   2.9730   5.1745   2.9730  476.914  199.037  476.914  199.037 -0.000000 0.000000 
1 1 1  -20    0   52 f  2155.50  120.264   74.913   8.0593   74.913   8.0593   74.913   8.0593  2155.50  120.264  2155.50  120.264 -0.000000 0.000000 
1 1 1  -20    0   54 o  514.156  208.246   6.0618   3.2806   6.0618   3.2806   6.0618   3.2806  514.156  208.246  514.156  208.246 -0.000000 0.000000 
1 1 1  -20    0   56 o  844.542  163.419   12.818   3.8559   12.818   3.8559   12.818   3.8559  844.542  163.419  844.542  163.419 -0.000000 0.000000 
1 1 1  -20    0   58 f  690.753  196.893   9.5593   3.6904   9.5593   3.6904   9.5593   3.6904  690.753  196.893  690.753  196.893 -0.000000 0.000000 
1 1 1  -20    0   60 o  3452.30  148.078  197.461   15.940  197.461   15.940  197.461   15.940  3452.30  148.078  3452.30  148.078 -0.000000 0.000000 
1 1 1  -20    0   62 o  3727.90  155.503  232.646   18.080  232.646   18.080  232.646   18.080  3727.90  155.503  3727.90  155.503 -0.000000 0.000000 
1 1 1  -20    1    1 o  1297.14   70.758   26.601   2.8631   29.298   4.0764   23.975   4.0222  1356.00   96.639  1223.70  106.019 132.2974 143.4541 
1 1 1  -20    1    3 o  3235.57   94.364  165.821   9.5604  164.751   13.514  166.894   13.527  3205.98  134.615  3227.18  133.865 -21.20093 189.8447 
1 1 1  -20    1    5 f  1232.62   70.479   24.016   2.7089   22.324   3.8240   25.720   3.8381  1181.42  104.445  1270.43   97.220 -89.00891 142.6907 
1 1 1  -20    1    7 o  675.756   82.431   7.3159   1.7081   9.2847   2.5106   5.6193   2.3306  756.912  109.078  581.596  131.108 175.3160 170.5501 
1 1 1  -20    1    9 o  1364.32   71.354   29.416   3.0377   28.420   4.2420   30.465   4.3520  1334.37  102.304  1382.06  101.269 -47.68591 143.9499 
1 1 1  -20    1   11 o  675.036   88.914   7.3322   1.8336   7.3547   2.5969   7.3099   2.5894  667.078  128.993  664.990  129.012 2.088562 182.4370 
1 1 1  -20    1   13 o  320.488  110.973   1.4838   1.3574   2.2193   1.9802   0.8319   1.8643  388.442  134.063  314.485  125.535 73.95642 183.6622 
1 1 1  -20    1   15 o  1347.33   75.913   28.774   3.1896   27.375   4.5147   30.168   4.5068  1304.75  111.580  1371.92  105.726 -67.16809 153.7139 
1 1 1  -20    1   17 o  834.227  109.550   11.305   2.7924   5.2879   3.9696   17.200   3.9289  572.046  189.866  1027.13  124.719 -455.0822 227.1654 
1 1 1  -20    1   19 o  1674.59  106.278   45.039   5.5439   43.083   7.8212   47.015   7.8594  1614.13  156.721  1690.38  150.046 -76.25269 216.9687 
1 1 1  -20    1   21 o  2457.46  118.884   97.370   9.1480   97.649   12.950   97.092   12.924  2417.94  172.170  2410.84  172.344 7.098145 243.6082 
1 1 1  -20    1   23 o  1385.11  105.023   30.961   4.5211   33.364   6.3130   28.431   6.4778  1420.10  143.959  1300.36  162.649 119.7395 217.2072 
1 1 1  -20    1   25 o  902.442   88.971   13.127   2.4814   13.487   4.0576   12.912   3.1362  892.370  150.571  886.322  115.772 6.048767 189.9336 
1 1 1  -20    1   27 o  2162.20   91.388   74.991   6.1873   69.297   7.4820   87.308   11.004  2060.30  116.454  2278.05  155.195 -217.7561 194.0288 
1 1 1  -20    1   29 o  1338.08   91.401   28.967   3.8067   25.167   6.7768   30.719   4.6012  1187.30  188.588  1369.41  108.186 -182.1066 217.4156 
1 1 1  -20    1   31 o  693.121   90.194   7.8857   1.9111   6.7859   2.7470   8.9174   2.6606  621.727  143.945  725.182  121.465 -103.4547 188.3452 
1 1 1  -20    1   33 o  527.249  112.981   4.7514   1.8091   6.4975   2.8077   3.5117   2.3658  604.064  149.294  453.396  146.350 150.6682 209.0621 
1 1 1  -20    1   35 o  3015.36  110.697  150.162   10.452  141.238   18.148  154.591   12.785  2733.43  213.730  3021.21  135.147 -287.7766 252.8737 
1 1 1  -20    1   37 o  3294.91   99.453  177.441   10.261  173.620   14.507  181.266   14.515  3183.68  145.520  3259.31  142.224 -75.63184 203.4791 
1 1 1  -20    1   39 o  565.732  137.439   5.6511   2.4106   3.1964   3.9047   7.1628   3.0643  470.070  183.496  629.674  156.175 -159.6045 240.9597 
1 1 1  -20    1   41 o  3233.92  147.154  182.735   14.901  190.433   21.065  175.025   21.082  3113.04  217.468  2949.14  230.115 163.9014 316.6151 
1 1 1  -20    1   43 o  734.368  145.466   9.7701   3.2267   7.9378   4.4196   11.862   4.7218  626.781  199.793  770.677  195.394 -143.8960 279.4570 
1 1 1  -20    1   45 o  2032.90   96.244   68.918   6.1264   64.241   7.4767   78.477   10.688  1920.02  125.045  2040.68  168.776 -120.6670 210.0511 
1 1 1  -20    1   47 o  3651.87  131.152  237.873   14.997  251.062   18.381  211.613   25.937  3639.47  161.294  2805.46  299.906 834.0154 340.5284 
1 1 1  -20    1   49 o  3307.11  105.870  191.087   10.963  189.402   15.520  192.765   15.489  3087.09  161.112  3123.41  158.897 -36.31494 226.2856 
1 1 1  -20    1   51 o  1831.21   85.052   58.193   4.8768   58.826   6.8489   57.541   6.9458  1739.02  126.647  1708.98  130.792 30.03687 182.0602 
1 1 1  -20    1   53 o  874.393  104.255   14.873   2.7982   12.949   3.9435   16.824   3.9711  681.356  181.558  836.685  157.351 -155.3290 240.2558 
1 1 1  -20    1   55 o  2595.67  107.318  141.768   8.7224  141.369   12.298  142.172   12.373  2094.42  189.574  2093.01  190.898 1.405029 269.0360 
1 1 1  -20    1   57 o  2013.26   98.082   87.449   6.1831   84.492   8.7332   90.422   8.7554  1518.06  187.725  1634.83  173.696 -116.7731 255.7560 
1 1 1  -20    1   59 o  2456.07  145.891  195.954   11.169  198.650   15.800  193.262   15.792  778.983  340.753  722.374  326.608 56.60883 472.0010 
1 1 1  -20    1   61 o  1852.46  127.761  111.142   7.3655  111.184   10.361  111.100   10.472  639.098  277.818  607.646  271.031 31.45227 388.1245 
1 1 1  -20    2    2 o  886.218   74.676   12.475   2.0529   12.432   2.9843   12.514   2.8285  877.157  111.149  881.629  104.494 -4.472412 152.5552 
1 1 1  -20    2    4 o  1226.16   72.638   23.783   2.7764   22.371   3.9935   25.104   3.8626  1181.34  109.197  1254.43   99.146 -73.09436 147.4915 
1 1 1  -20    2    6 o  1877.29   74.885   55.579   4.4019   58.849   6.3015   52.462   6.1517  1922.25  105.091  1813.50  108.836 108.7418 151.2925 
1 1 1  -20    2    8 o  647.427   90.122   6.7559   1.7774   6.5938   2.5004   6.9214   2.5272  630.779  130.882  646.935  129.279 -16.15649 183.9648 
1 1 1  -20    2   10 o  662.430   90.330   7.0704   1.8248   5.6269   2.4942   8.7330   2.6768  580.611  139.032  730.402  121.294 -149.7914 184.5047 
1 1 1  -20    2   12 o  2170.86   79.275   74.453   5.3887   76.339   7.6342   72.580   7.6075  2185.74  111.920  2130.10  114.478 55.63452 160.0976 
1 1 1  -20    2   14 o  596.604  105.019   5.8274   1.8902   5.6865   2.4702   6.0264   2.9362  582.850  137.562  598.185  155.367 -15.33539 207.5144 
1 1 1  -20    2   16 o  382.243  120.006   2.3267   1.5997  -0.2678   2.1940   5.2710   2.3373  294.426  127.914  560.753  134.783 -266.3265 185.8182 
1 1 1  -20    2   18 o  1464.48  102.976   34.402   4.6921   35.635   6.6502   33.180   6.6211  1473.20  146.090  1418.69  151.385 54.50769 210.3803 
1 1 1  -20    2   20 o  1191.87  103.968   22.887   3.8413   23.584   5.4079   22.178   5.4572  1193.33  147.896  1153.72  154.980 39.61060 214.2240 
1 1 1  -20    2   22 o  1792.29  107.909   51.747   6.0277   44.982   8.4974   58.599   8.5519  1638.11  168.043  1886.26  145.927 -248.1561 222.5600 
1 1 1  -20    2   24 o  1728.56   88.020   47.773   4.7484   41.981   8.0335   50.884   5.8868  1579.49  164.861  1775.71  106.363 -196.2140 196.1942 
1 1 1  -20    2   26 o  2441.76   96.194   95.711   7.3548   89.273   12.668   98.986   9.0332  2285.13  178.454  2468.69  116.858 -183.5642 213.3108 
1 1 1  -20    2   28 o  2811.13   89.948  126.916   7.9175  128.344   11.218  125.499   11.176  2790.72  128.373  2758.52  129.394 32.20337 182.2700 
1 1 1  -20    2   30 f  1688.72   88.855   46.098   4.6820   43.736   8.1284   47.271   5.7275  1584.48  166.313  1697.30  108.333 -112.8192 198.4843 
1 1 1  -20    2   32 o  2085.64   80.933   69.998   5.2855   65.840   7.5043   74.092   7.4456  1986.61  121.217  2116.48  112.756 -129.8711 165.5519 
1 1 1  -20    2   34 o  392.367  135.107   2.4623   2.0107  -0.6734   3.9275   3.5760   2.3406  370.152  165.477  456.526  145.384 -86.37363 220.2700 
1 1 1  -20    2   36 o  3576.86  153.377  220.751   17.178  229.979   24.375  211.645   24.213  3465.35  225.872  3296.63  236.129 168.7256 326.7649 
1 1 1  -20    2   38 o  1680.19   92.579   46.022   4.8519   48.795   8.5406   44.701   5.8956  1659.70  166.587  1637.81  115.706 21.89343 202.8276 
1 1 1  -20    2   40 o  1551.30   94.254   39.462   4.5567   44.194   7.9738   37.167   5.5526  1572.86  164.331  1484.36  120.506 88.50793 203.7804 
1 1 1  -20    2   42 o  1969.22   82.263   63.067   5.0725   63.547   7.1059   62.568   7.2431  1936.46  117.750  1917.02  121.290 19.44312 169.0454 
1 1 1  -20    2   44 o  1591.09   93.159   42.007   4.6210   41.118   5.6249   43.853   8.1046  1549.52  116.790  1527.01  172.526 22.51086 208.3391 
1 1 1  -20    2   46 o  285.148  123.107   0.2168   2.0068  -1.1378   2.3991   3.3722   3.6617  270.176  124.112  450.717  177.182 -180.5412 216.3270 
1 1 1  -20    2   48 o  500.228  145.902   4.8334   2.4264   3.5404   2.9392   7.5998   4.2993  437.118  161.843  584.187  197.628 -147.0685 255.4411 
1 1 1  -20    2   50 o  366.281  152.708   2.0514   2.9099   9.3747   4.1095  -5.3129   4.1210  622.309  191.855  276.917  136.165 345.3923 235.2643 
1 1 1  -20    2   52 o  2768.85  101.093  142.493   8.7647  137.211   12.293  147.953   12.499  2432.04  162.363  2550.92  157.253 -118.8718 226.0322 
1 1 1  -20    2   54 o  2147.55   96.485   89.554   6.4881   93.446   9.0803   85.494   9.2739  1943.10  150.413  1780.03  168.387 163.0676 225.7838 
1 1 1  -20    2   56 o  1170.11  100.361   28.851   3.6415   29.860   5.0158   27.726   5.2954  1000.50  165.920  871.914  198.419 128.5867 258.6495 
1 1 1  -20    2   58 o  1926.25  426.071  506.367   25.017  493.590   35.341  519.202   35.419  ?   ?   ?   ?  0.000000      ? 
1 1 1  -20    2   60 o  492.083  163.304   11.508   2.9366   11.801   3.9502   11.147   4.3907  355.407  161.738  316.312  151.997 39.09485 221.9513 
1 1 1  -20    2   62 o  ?   ?   428.004   21.412  409.665   30.250  446.418   30.313  ?   ?   ?   ?  0.000000      ? 
1 1 1  -20    3    1 o  1326.63   71.022   27.828   2.9396   31.171   4.2478   24.756   4.0721  1398.35   97.626  1243.44  105.586 154.9177 143.8023 
1 1 1  -20    3    3 o  1922.77   76.271   58.340   4.5920   59.749   6.5540   56.981   6.4358  1935.17  108.600  1889.45  109.246 45.71069 154.0412 
1 1 1  -20    3    5 o  1248.86   71.772   24.665   2.7948   26.044   4.0501   23.412   3.8616  1276.99  102.144  1210.18  102.882 66.81702 144.9765 
1 1 1  -20    3    7 o  1300.96   72.951   26.768   2.9598   29.044   4.2395   24.605   4.1340  1349.22  101.085  1239.65  107.567 109.5759 147.6106 
1 1 1  -20    3    9 o  1205.91   70.982   23.002   2.6685   22.617   3.7999   23.377   3.7482  1189.03  103.081  1209.77   99.840 -20.73853 143.5050 
1 1 1  -20    3   11 o  1689.50   72.982   45.030   3.8609   41.264   5.4469   48.834   5.4736  1606.33  108.935  1750.80  100.260 -144.4642 148.0506 
1 1 1  -20    3   13 o  517.770  111.166   4.4341   1.7484   5.6752   2.2177   2.3955   2.8423  584.513  124.955  428.877  159.081 155.6362 202.2883 
1 1 1  -20    3   15 o  752.782  112.314   9.2422   2.5664   11.552   3.6486   6.9804   3.6106  833.742  145.023  640.922  174.992 192.8200 227.2750 
1 1 1  -20    3   17 o  1272.46  103.066   25.993   4.0713   27.152   5.7853   24.855   5.7304  1285.07  146.388  1226.40  152.517 58.66736 211.4020 
1 1 1  -20    3   19 o  502.193  126.927   4.2260   1.9969   3.0481   2.7352   5.5703   2.9220  451.052  157.453  573.416  157.780 -122.3635 222.9038 
1 1 1  -20    3   21 o  227.718   96.630   0.0544   1.1977  -2.9769   1.8915   2.0833   1.5475  202.564   97.929  364.472  118.430 -161.9078 153.6738 
1 1 1  -20    3   23 o  1624.59   87.676   42.164   4.4436   48.393   7.6402   38.980   5.4625  1712.85  143.783  1551.51  113.220 161.3378 183.0090 
1 1 1  -20    3   25 o  315.260  114.790   1.3448   1.4690   0.6267   2.2530   1.8758   1.9375  326.862  135.161  365.348  132.012 -38.48654 188.9326 
1 1 1  -20    3   27 o  596.948  113.154   5.9612   2.0377   9.0100   3.3260   4.1292   2.5782  722.708  151.802  494.203  151.895 228.5044 214.7463 
1 1 1  -20    3   29 o  599.346  106.779   6.0026   1.9305   9.6633   2.9792   3.3533   2.5345  754.310  130.882  452.411  151.746 301.8992 200.3920 
1 1 1  -20    3   31 f  2347.79   96.864   89.545   7.1210  101.780   12.627   83.839   8.6231  2412.62  168.191  2244.05  123.192 168.5750 208.4816 
1 1 1  -20    3   33 f  1471.30  110.365   35.817   5.0475   0.0000   0.0000   35.817   5.0475  ?   ?   1471.30  110.365 0.000000 110.3648 
1 1 1  -20    3   35 o  1956.59   92.732   62.126   5.6813   60.549   9.9401   62.892   6.9236  1846.30  173.990  1948.40  113.981 -102.0977 208.0002 
1 1 1  -20    3   37 o  1790.14  114.608   53.171   6.3904   51.570   9.2157   54.653   8.8692  1700.59  175.594  1766.59  162.146 -65.99866 239.0071 
1 1 1  -20    3   39 o  4610.43  150.226  367.500   21.687  370.393   37.589  366.057   26.552  4112.33  293.847  4478.57  189.341 -366.2358 349.5655 
1 1 1  -20    3   41 o  2092.68   83.455   71.085   5.4685   74.929   7.7794   67.331   7.6887  2108.52  118.307  1991.67  123.901 116.8441 171.3125 
1 1 1  -20    3   43 o  2208.84   84.584   79.703   5.8502   80.530   8.2656   78.873   8.2813  2169.29  122.183  2144.27  123.867 25.01318 173.9876 
1 1 1  -20    3   45 o  1154.07   97.542   22.342   3.4919   20.156   4.2302   27.016   6.1863  1070.15  128.828  1195.04  170.126 -124.8911 213.3996 
1 1 1  -20    3   47 o  584.573  146.614   6.4789   2.6789   8.9861   3.1550   0.0001   5.0717  688.468  150.547  402.215  183.126 286.2535 237.0650 
1 1 1  -20    3   49 o  1808.54   97.875   56.435   5.5220   52.441   6.7154   64.774   9.7038  1689.28  127.904  1761.88  178.350 -72.60535 219.4727 
1 1 1  -20    3   51 o  356.186  150.187   2.1472   2.8640   5.9248   3.8341  -2.6215   4.3078  476.596  182.974  304.498  147.353 172.0981 234.9305 
1 1 1  -20    3   53 o  2065.34   92.559   79.391   5.9859   73.252   8.3624   85.841   8.5721  1756.01  153.630  1952.32  141.175 -196.3073 208.6451 
1 1 1  -20    3   55 o  647.878  134.616   10.135   2.6417   12.280   3.5701   7.5387   3.9273  622.377  175.571  417.284  175.905 205.0933 248.5312 
1 1 1  -20    3   57 o  928.391  115.394   20.416   3.2822   21.142   4.3798   19.487   4.9569  751.308  186.932  577.056  210.748 174.2529 281.7064 
1 1 1  -20    3   59 o  2259.15  124.764  142.222   8.7915  130.421   12.294  154.572   12.577  882.678  330.170  1300.38  312.708 -417.6977 454.7515 
1 1 1  -20    3   61 o  549.585  276.984  440.828   22.145  427.386   31.267  454.357   31.369  ?   ?   ?   ?  0.000000      ? 
1 1 1  -20    4    2 o  2792.29   87.041  123.380   7.6103  132.649   10.799  114.236   10.726  2881.69  119.682  2670.27  128.286 211.4182 175.4453 
1 1 1  -20    4    4 o  174.741   78.944  -0.4970   0.9205  -1.3241   1.4639   0.0439   1.1839  203.354   94.646  226.714   96.129 -23.36037 134.9024 
1 1 1  -20    4    6 o  1860.78   75.564   54.634   4.4028   55.269   6.2251   54.000   6.2279  1861.29  107.265  1839.29  108.618 21.99622 152.6554 
1 1 1  -20    4    8 o  1079.72   74.085   18.475   2.4895   16.682   3.5244   20.262   3.5171  1017.45  112.508  1125.36  100.881 -107.9079 151.1128 
1 1 1  -20    4   10 o  2532.08   94.318  101.663   7.4781  101.330   12.884  101.832   9.1833  2490.20  166.185  2525.98  116.105 -35.77783 202.7261 
1 1 1  -20    4   12 o  490.171  116.285   3.9887   1.7579   6.4744   2.5703   1.8042   2.4095  623.008  135.605  386.115  145.809 236.8929 199.1201 
1 1 1  -20    4   14 o  1103.90  101.938   19.555   3.4838   20.228   4.9275   18.882   4.9261  1109.45  145.335  1069.21  151.366 40.24219 209.8432 
1 1 1  -20    4   16 o  1331.66  101.806   28.418   4.2129   23.229   5.9244   33.727   5.9920  1180.86  164.709  1439.61  134.483 -258.7504 212.6379 
1 1 1  -20    4   18 o  1588.77  104.658   40.489   5.1774   38.923   7.3141   42.062   7.3299  1536.44  154.106  1600.81  147.904 -64.36890 213.5982 
1 1 1  -20    4   20 o  1603.19   84.772   40.926   4.2404   38.794   7.2315   42.042   5.2349  1532.34  152.749  1618.26  103.858 -85.92041 184.7129 
1 1 1  -20    4   22 o  1130.44   85.558   20.435   3.0061   17.318   5.1686   22.029   3.6953  1009.47  169.528  1168.90  101.983 -159.4331 197.8392 
1 1 1  -20    4   24 o  1139.20   87.880   20.813   3.1106   19.852   5.3159   21.314   3.8358  1082.74  161.756  1146.02  108.172 -63.27515 194.5925 
1 1 1  -20    4   26 o  2230.66   93.143   79.767   6.5058   84.761   11.509   77.422   7.8866  2239.15  165.321  2180.98  115.900 58.16626 201.9010 
1 1 1  -20    4   28 o  575.651  111.839   5.5630   1.9433   6.0071   2.9888   5.2378   2.5577  585.576  158.934  549.760  146.087 35.81647 215.8740 
1 1 1  -20    4   30 o  2734.25   88.081  120.456   7.5411  127.923   10.768  113.270   10.564  2779.71  123.718  2609.13  129.305 170.5789 178.9581 
1 1 1  -20    4   32 o  1945.27  110.158   62.333   6.6823   0.0000   0.0000   62.333   6.6823  ?   ?   1945.27  110.158 0.000000 110.1579 
1 1 1  -20    4   34 o  1079.38   98.138   19.098   3.2806   20.351   6.1950   18.610   3.8674  1050.23  195.578  1054.35  119.241 -4.115845 229.0611 
1 1 1  -20    4   36 o  3463.89  119.010  198.681   12.908  207.690   22.420  194.214   15.787  3336.53  215.748  3371.97  149.524 -35.44116 262.4967 
1 1 1  -20    4   38 o  1851.80   91.331   55.619   5.2958   59.537   6.6025   48.552   8.8676  1896.98  111.648  1650.71  174.192 246.2744 206.9012 
1 1 1  -20    4   40 o  3981.95  114.050  263.892   14.220  264.389   20.118  263.396   20.103  3858.33  166.518  3850.48  166.738 7.851807 235.6475 
1 1 1  -20    4   42 o  871.429   95.439   12.618   2.5616   12.396   3.6280   12.838   3.6174  834.719  144.008  852.112  140.473 -17.39282 201.1740 
1 1 1  -20    4   44 o  2172.32   84.814   77.260   5.7691   77.381   8.0858   77.135   8.2337  2122.17  122.199  2114.60  124.905 7.563232 174.7390 
1 1 1  -20    4   46 f  1545.17  120.227   41.452   5.7711   30.483   7.9426   53.720   8.3998  1198.46  219.749  1698.61  159.806 -500.1497 271.7122 
1 1 1  -20    4   48 o  1701.51  122.836   51.652   6.5005   67.574   9.1513   35.435   9.2355  1876.32  157.210  1193.12  254.944 683.1938 299.5188 
1 1 1  -20    4   50 o  1467.92   99.329   38.081   4.5387   37.212   5.5341   39.867   7.9322  1400.93  127.555  1299.53  201.456 101.4001 238.4430 
1 1 1  -20    4   52 o  570.877  152.521   7.5809   2.7782   6.8759   3.2795   9.3731   5.2287  505.975  172.599  504.064  206.896 1.910736 269.4377 
1 1 1  -20    4   54 o  1286.64   91.234   31.546   3.6518   28.273   5.0252   35.210   5.3158  1056.65  156.623  1218.44  141.996 -161.7808 211.4085 
1 1 1  -20    4   56 o  2289.10  103.241  111.770   7.4000   99.059   10.380  124.908   10.553  1595.46  213.098  2021.88  168.211 -426.4166 271.4878 
1 1 1  -20    4   58 o  1436.20   99.479   46.339   4.4461   46.220   6.1607   46.468   6.4229  1102.47  185.018  1038.52  204.793 63.94763 275.9920 
1 1 1  -20    4   60 o  1752.14  205.908  160.079   11.081  154.189   13.538  172.038   19.292  624.850  289.801  ?   ?  0.000000 289.8005 
1 1 1  -20    5    1 o  646.385   90.368   6.7426   1.7790   5.1557   2.8889   7.7121   2.2580  556.273  158.291  688.067  108.389 -131.7936 191.8441 
1 1 1  -20    5    3 o  1261.98   82.348   25.279   3.2362   25.933   5.5077   24.934   3.9994  1261.79  141.859  1248.46  103.233 13.33557 175.4453 
1 1 1  -20    5    5 o  547.763  106.828   4.9308   1.7665   3.1242   2.7516   6.1973   2.3039  457.833  158.031  611.965  124.471 -154.1313 201.1633 
1 1 1  -20    5    7 o  1145.17   84.599   20.849   3.0121   19.308   5.0795   21.686   3.7407  1082.71  154.182  1163.66  103.751 -80.94385 185.8394 
1 1 1  -20    5    9 o  1351.11   82.667   28.968   3.4805   22.321   5.8449   32.620   4.3325  1161.02  165.455  1430.49   97.302 -269.4659 191.9457 
1 1 1  -20    5   11 o  1188.57  103.331   22.634   3.8074   24.490   5.4113   20.814   5.3580  1224.14  143.922  1122.88  156.656 101.2603 212.7310 
1 1 1  -20    5   13 o  1557.44  104.330   38.795   5.0585   40.043   7.1389   37.536   7.1687  1566.35  147.283  1513.55  153.380 52.80054 212.6446 
1 1 1  -20    5   15 o  886.695  104.238   12.696   2.8389   13.486   4.1982   12.031   3.8535  898.920  154.730  849.294  150.411 49.62585 215.7889 
1 1 1  -20    5   17 o  765.477   92.615   9.4431   2.1747   12.462   3.8169   7.9917   2.6463  865.312  146.070  694.693  126.307 170.6185 193.1059 
1 1 1  -20    5   19 o  602.241  101.692   5.9396   1.8494   8.3564   3.2729   4.8060   2.2416  702.571  153.099  534.758  134.108 167.8134 203.5295 
1 1 1  -20    5   21 o  347.730  118.175   1.8187   1.5373   2.2594   2.4140   1.5181   1.9939  404.261  147.158  351.719  132.683 52.54239 198.1422 
1 1 1  -20    5   23 o  810.873   89.958   10.605   2.2456   9.7412   3.8430   11.053   2.7671  751.875  167.521  822.202  110.260 -70.32654 200.5506 
1 1 1  -20    5   25 o  1310.23  114.103   27.970   4.6345   30.069   6.8429   26.190   6.2993  1329.94  168.072  1241.16  166.266 88.78198 236.4160 
1 1 1  -20    5   27 o  471.566  120.011   3.7682   1.7765   3.2224   2.6788   4.1967   2.3735  451.762  155.927  496.096  144.190 -44.33411 212.3774 
1 1 1  -20    5   29 o  4410.44  138.952  325.130   19.189  383.009   33.352  296.489   23.462  4520.59  236.443  4119.71  181.876 400.8862 298.3024 
1 1 1  -20    5   31 o  1908.31  111.129   59.880   6.6116   0.0000   0.0000   59.880   6.6116  ?   ?   1908.31  111.129 0.000000 111.1285 
1 1 1  -20    5   33 o  2893.80  107.028  136.969   9.6980  137.794   16.949  136.568   11.825  2760.15  197.407  2857.65  132.155 -97.49731 237.5594 
1 1 1  -20    5   35 o  433.892  129.698   3.1972   1.8980   4.4857   3.1502   2.4629   2.3781  511.084  169.116  404.820  146.259 106.2635 223.5885 
1 1 1  -20    5   37 f  2154.15   80.226   74.530   5.4114   85.585   7.8312   64.427   7.4861  2283.67  109.517  1967.36  122.125 316.3073 164.0378 
1 1 1  -20    5   39 o  1034.88  106.580   17.769   3.4043   17.807   4.2449   17.701   5.6989  1018.32  136.567  974.446  193.596 43.87323 236.9179 
1 1 1  -20    5   41 o  1930.93   82.909   60.428   5.0129   62.546   7.1290   58.358   7.0501  1927.55  118.693  1858.24  121.840 69.30823 170.0974 
1 1 1  -20    5   43 o  1336.73   82.289   29.177   3.4276   27.809   4.7512   30.661   4.9495  1275.66  120.370  1341.01  119.113 -65.34229 169.3422 
1 1 1  -20    5   45 o  2752.96  108.452  127.848   9.3488  119.910   16.170  131.834   11.458  2419.86  215.658  2745.64  133.275 -325.7742 253.5165 
1 1 1  -20    5   47 o  1097.57  104.550   20.627   3.5497   20.851   4.2531   20.113   6.4443  1081.26  128.112  955.030  220.026 126.2302 254.6059 
1 1 1  -20    5   49 o  1364.46   98.075   32.264   4.1622   32.366   4.9527   32.018   7.6797  1335.97  119.663  1164.37  218.668 171.6005 249.2683 
1 1 1  -20    5   51 o  4082.20  179.954  394.062   23.002  378.891   28.133  424.655   39.951  3377.21  268.250  1524.25  589.173 1852.968 647.3661 
1 1 1  -20    5   53 o  2630.71  125.550  146.352   10.342  140.746   12.594  157.962   18.124  2315.16  175.016  1591.51  370.600 723.6532 409.8474 
1 1 1  -20    5   55 o  586.447  184.291   12.020   3.7715   12.020   3.7715   0.0000   0.0000  586.447  184.291  ?   ?  0.000000 184.2910 
1 1 1  -20    5   57 o  1374.94  119.425   45.719   5.0905   40.802   6.1887   56.006   8.9511  1033.96  198.366  759.450  282.187 274.5143 344.9326 
1 1 1  -20    5   59 o  1139.01  130.964   37.154   4.5858   32.856   5.5691   46.206   8.0820  732.222  222.911  507.354  231.064 224.8674 321.0609 
1 1 1  -20    5   61 o  690.768  177.548   23.073   3.8613   24.279   4.6610   20.433   6.8940  499.672  198.795  ?   ?  0.000000 198.7946 
1 1 1  -20    6    2 o  2119.05   89.604   71.120   5.9454   64.276   10.190   74.652   7.3206  1981.03  165.801  2165.41  107.966 -184.3887 197.8557 
1 1 1  -20    6    4 o  427.639  111.355   3.0211   1.5058   2.8163   2.4006   3.1540   1.9334  432.856  147.671  440.127  130.753 -7.271149 197.2380 
1 1 1  -20    6    6 o  1452.73   83.821   33.482   3.7967   31.166   6.4970   34.683   4.6787  1380.40  152.878  1474.06  101.994 -93.65771 183.7781 
1 1 1  -20    6    8 o  702.528  112.902   8.0562   2.3995   9.7994   3.3417   6.2011   3.4475  768.080  144.243  607.877  172.899 160.2032 225.1668 
1 1 1  -20    6   10 o  178.396   82.900  -0.9899   1.1161  -1.7552   1.6007  -0.2658   1.5569  204.400   96.351  246.477  107.413 -42.07663 144.2952 
1 1 1  -20    6   12 o  2675.65  122.752  114.711   10.284  116.859   14.574  112.580   14.514  2663.88  175.710  2612.41  178.505 51.46313 250.4758 
1 1 1  -20    6   14 o  2750.85  124.908  121.481   10.759  117.760   15.242  125.177   15.190  2665.00  183.770  2753.37  177.125 -88.36621 255.2350 
1 1 1  -20    6   16 o  2128.59   90.826   71.937   6.0537   64.620   10.391   75.697   7.4482  1977.46  169.454  2173.96  109.772 -196.5056 201.9019 
1 1 1  -20    6   18 o  2058.34   90.186   67.314   5.8126   67.778   10.087   67.083   7.1122  2028.43  160.113  2044.11  111.539 -15.67285 195.1338 
1 1 1  -20    6   20 o  953.757   86.144   14.562   2.5449   11.391   4.2530   16.330   3.1763  816.068  171.867  1006.14  102.239 -190.0768 199.9779 
1 1 1  -20    6   22 f  3525.02  114.334  200.051   12.620  219.839   22.029  190.386   15.397  3595.89  196.393  3411.22  144.143 184.6636 243.6137 
1 1 1  -20    6   24 o  1756.92  112.906   50.015   6.1784   53.703   8.9419   46.646   8.5467  1790.24  161.245  1664.29  166.227 125.9536 231.5845 
1 1 1  -20    6   26 o  2587.65   98.907  107.735   8.0140   97.036   13.894  113.071   9.8106  2367.48  188.992  2635.20  118.895 -267.7234 223.2806 
1 1 1  -20    6   28 o  2345.45   95.160   88.672   6.9887  104.495   12.277   81.087   8.5005  2479.39  158.970  2218.92  122.823 260.4744 200.8909 
1 1 1  -20    6   30 o  707.678  112.219   8.3644   2.4037   12.038   4.6634   7.0352   2.8050  814.218  186.871  635.970  144.184 178.2474 236.0294 
1 1 1  -20    6   32 o  1310.61   91.224   27.834   3.7204   26.083   6.8256   28.574   4.4375  1207.18  186.590  1318.95  108.405 -111.7800 215.7950 
1 1 1  -20    6   34 o  2091.79   81.517   70.153   5.3393   72.108   7.6641   68.309   7.4427  2091.65  117.494  2035.88  117.247 55.77039 165.9869 
1 1 1  -20    6   36 o  1111.01   80.984   19.895   2.7979   20.660   4.1803   19.275   3.7657  1112.70  121.982  1079.01  113.140 33.68774 166.3738 
1 1 1  -20    6   38 o  3978.49  113.021  260.735   14.080  260.423   19.941  261.045   19.882  3870.17  164.554  3876.56  163.796 -6.391357 232.1795 
1 1 1  -20    6   40 o  1710.75   93.682   47.824   4.9993   47.115   6.1531   49.203   8.5754  1677.76  117.872  1662.56  166.981 15.19226 204.3934 
1 1 1  -20    6   42 o  2164.91   84.644   76.183   5.7379   80.916   8.1491   71.529   8.0805  2189.23  119.329  2048.76  126.580 140.4717 173.9594 
1 1 1  -20    6   44 o  1710.23   81.359   47.618   4.3569   49.044   6.1209   46.154   6.2030  1699.72  115.695  1642.20  121.494 57.51855 167.7681 
1 1 1  -20    6   46 o  1353.78   84.897   30.248   3.5806   30.923   4.9628   29.515   5.1711  1335.61  119.945  1294.77  129.276 40.84119 176.3497 
1 1 1  -20    6   48 o  2139.07  100.998   78.345   6.7648   80.217   8.2731   74.566   11.751  2113.55  125.573  1851.30  206.225 262.2504 241.4479 
1 1 1  -20    6   50 o  1372.38  100.753   33.594   4.2994   30.929   5.1342   39.849   7.8659  1264.36  131.612  1288.93  201.491 -24.57483 240.6666 
1 1 1  -20    6   52 o  2764.87  185.057  197.614   15.929  197.614   15.929   0.0000   0.0000  2764.87  185.057  ?   ?  0.000000 185.0572 
1 1 1  -20    6   54 o  1729.77  151.061   74.066   8.0999   74.066   8.0999   0.0000   0.0000  1729.77  151.061  ?   ?  0.000000 151.0612 
1 1 1  -20    6   56 o  973.472  169.555   28.521   4.9805   28.521   4.9805   0.0000   0.0000  973.472  169.555  ?   ?  0.000000 169.5553 
1 1 1  -20    6   58 o  2250.58  180.598  189.001   12.620  187.098   15.414  192.868   21.977  1237.16  369.567  ?   ?  0.000000 369.5669 
1 1 1  -20    6   60 o  827.046  161.207   25.452   4.0247   22.727   4.7764   32.126   7.4740  519.392  202.893  360.148  178.254 159.2442 270.0741 
1 1 1  -20    7    1 o  1872.56   76.259   55.356   4.4714   56.824   6.3484   53.911   6.2989  1886.50  107.918  1836.64  110.035 49.86255 154.1238 
1 1 1  -20    7    3 o  447.386  102.082   3.3041   1.3985   3.4365   1.9190   3.1543   2.0421  456.805  128.673  441.963  135.077 14.84177 186.5547 
1 1 1  -20    7    5 o  435.066  118.450   3.1213   1.6570   3.1373   2.7194   3.1118   2.0898  457.398  157.146  440.478  136.984 16.92023 208.4695 
1 1 1  -20    7    7 o  541.487  122.383   4.8688   2.0262   5.7149   2.9715   4.1335   2.7701  583.903  158.471  505.388  157.800 78.51523 223.6381 
1 1 1  -20    7    9 o  314.698  120.827   1.0844   1.6720   1.2019   2.4305   0.9789   2.3037  362.481  143.761  346.766  139.150 15.71561 200.0747 
1 1 1  -20    7   11 o  296.800  113.854   0.9636   1.4838   1.2311   2.1483   0.7195   2.0518  348.431  136.081  321.327  130.481 27.10385 188.5289 
1 1 1  -20    7   13 o  417.701  118.622   2.8645   1.6241   3.4680   2.6168   2.4863   2.0712  469.585  154.074  405.414  137.173 64.17099 206.2887 
1 1 1  -20    7   15 o  805.165   90.732   10.411   2.2476   9.5193   3.7542   10.910   2.8061  749.880  164.417  819.180  112.358 -69.30005 199.1412 
1 1 1  -20    7   17 o  1507.71   85.238   36.150   4.0076   39.135   6.8838   34.620   4.9291  1547.50  143.702  1468.47  107.954 79.02747 179.7343 
1 1 1  -20    7   19 o  669.076   97.660   7.2752   1.9857   5.0327   3.0725   8.8839   2.6023  548.920  165.227  735.540  116.897 -186.6202 202.3982 
1 1 1  -20    7   21 o  2250.13   80.956   80.341   5.7039   82.371   8.1201   78.364   8.0140  2260.34  115.109  2203.75  116.552 56.59082 163.8120 
1 1 1  -20    7   23 o  622.619  130.185   6.5212   2.4564   6.7615   3.1743   6.1625   3.8783  626.971  160.888  600.703  186.574 26.26770 246.3633 
1 1 1  -20    7   25 f  1274.77   86.022   26.054   3.4136   33.875   6.2900   22.790   4.0641  1426.74  142.710  1182.50  111.062 244.2380 180.8342 
1 1 1  -20    7   27 o  493.748  127.149   4.1514   1.9777   4.2179   4.0689   4.1309   2.2629  522.358  190.915  492.095  140.119 30.26273 236.8157 
1 1 1  -20    7   29 o  1458.67   90.979   34.346   4.1347   34.014   7.3965   34.497   4.9866  1399.24  172.467  1451.59  110.540 -52.34363 204.8507 
1 1 1  -20    7   31 o  1378.85   76.998   30.456   3.3111   34.215   4.8111   27.074   4.5640  1446.86  106.953  1282.03  114.910 164.8239 156.9817 
1 1 1  -20    7   33 o  818.771  104.380   11.034   2.6152   8.7935   5.3530   11.736   2.9972  689.007  219.908  839.692  117.187 -150.6849 249.1833 
1 1 1  -20    7   35 o  1229.53   81.821   24.314   3.1321   25.125   4.5326   23.573   4.3330  1232.18  118.957  1194.05  117.409 38.13818 167.1396 
1 1 1  -20    7   37 f  1311.05   80.995   27.668   3.3087   31.896   4.7770   23.769   4.5873  1392.10  110.497  1192.61  124.683 199.4929 166.6002 
1 1 1  -20    7   39 o  1769.64   80.718   50.389   4.4727   49.999   6.3128   50.783   6.3380  1734.01  116.949  1748.03  116.461 -14.01965 165.0463 
1 1 1  -20    7   41 f  2422.99   87.204   95.308   6.6161  100.461   9.3903   90.228   9.3233  2442.33  123.185  2305.63  129.667 136.7051 178.8517 
1 1 1  -20    7   43 o  3463.41  104.134  198.957   11.293  204.936   16.028  193.063   15.914  3413.82  149.943  3303.96  153.828 109.8608 214.8161 
1 1 1  -20    7   45 f  803.979  109.694   11.035   2.6894   10.473   3.8005   11.598   3.8064  744.390  167.143  790.727  159.241 -46.33661 230.8563 
1 1 1  -20    7   47 o  3633.28  130.957  234.967   14.899  234.782   18.232  235.340   25.847  3505.66  166.095  3085.40  270.257 420.2632 317.2165 
1 1 1  -20    7   49 o  408.596  157.770   3.1507   2.8625   3.1507   2.8625   0.0000   0.0000  408.596  157.770  ?   ?  0.000000 157.7704 
1 1 1  -20    7   51 o  3210.91  212.812  280.536   21.275  280.536   21.275   0.0000   0.0000  3210.91  212.812  ?   ?  0.000000 212.8123 
1 1 1  -20    7   53 o  944.695  153.829   21.199   4.3938   21.199   4.3938   0.0000   0.0000  944.695  153.829  ?   ?  0.000000 153.8286 
1 1 1  -20    7   55 o  1699.26  159.409   78.241   8.3827   78.241   8.3827   0.0000   0.0000  1699.26  159.409  ?   ?  0.000000 159.4088 
1 1 1  -20    7   57 o  455.542  177.325   9.8604   3.6386   9.8604   3.6386   0.0000   0.0000  455.542  177.325  ?   ?  0.000000 177.3248 
1 1 1  -20    7   59 o  229.499  111.921   0.3899   2.6158   0.4565   2.9942   0.1754   5.3753  234.559  115.477  ?   ?  0.000000 115.4772 
1 1 1  -20    8    2 o  892.515   77.889   12.671   2.1549   13.774   3.0527   11.575   3.0424  924.592  107.446  843.841  118.404 80.75085 159.8879 
1 1 1  -20    8    4 o  332.303  115.994   1.5777   1.4844   2.5133   1.8549  -0.0890   2.4757  401.078  129.602  319.696  137.371 81.38226 188.8583 
1 1 1  -20    8    6 o  679.542   99.015   7.4759   2.0449   8.3276   2.5425   5.9155   3.4412  713.506  117.922  595.553  173.769 117.9532 210.0034 
1 1 1  -20    8    8 o  324.252  120.309   1.3152   1.6259   1.3857   2.4727   1.2615   2.1580  372.086  145.808  350.549  136.532 21.53705 199.7525 
1 1 1  -20    8   10 o  859.220   79.075   11.760   2.1036   11.963   2.9841   11.559   2.9658  859.019  113.740  843.758  115.271 15.26196 161.9388 
1 1 1  -20    8   12 o  1836.10   76.015   53.242   4.3703   57.282   6.1887   49.223   6.1724  1894.41  104.736  1752.86  113.062 141.5507 154.1186 
1 1 1  -20    8   14 o  1501.99   73.646   35.623   3.4636   32.746   4.8753   38.554   4.9216  1428.70  109.820  1553.43  101.743 -124.7306 149.7065 
1 1 1  -20    8   16 o  1159.61   76.602   21.349   2.7657   22.196   4.1823   20.691   3.6871  1172.39  115.423  1134.62  104.970 37.77478 156.0165 
1 1 1  -20    8   18 o  1685.05   76.881   44.928   4.0565   45.856   5.7916   44.034   5.6835  1689.71  110.064  1655.59  110.264 34.11340 155.7952 
1 1 1  -20    8   20 f  1196.03   76.645   22.745   2.8553   22.637   4.1081   22.846   3.9713  1182.90  112.257  1189.89  107.758 -6.993408 155.6065 
1 1 1  -20    8   22 o  1254.19  113.700   25.518   4.4167   28.923   6.3389   22.305   6.1572  1316.14  156.908  1143.76  177.689 172.3838 237.0517 
1 1 1  -20    8   24 f  1191.54   89.045   22.791   3.2983   23.084   5.9927   22.664   3.9504  1163.33  169.494  1181.41  107.983 -18.07922 200.9686 
1 1 1  -20    8   26 o  830.476  101.893   11.266   2.5941   15.313   4.9227   9.7094   3.0522  937.868  174.035  759.054  133.281 178.8132 219.2075 
1 1 1  -20    8   28 f  421.407  130.525   2.9392   1.8996  -0.5035   2.8714   5.6187   2.5332  326.323  143.922  570.946  142.224 -244.6229 202.3395 
1 1 1  -20    8   30 o  2085.31   79.155   69.415   5.1685   76.551   7.3842   62.560   7.2369  2168.84  109.080  1953.14  118.898 215.6970 161.3542 
1 1 1  -20    8   32 f  1635.03   77.826   42.637   3.9845   49.026   5.7744   36.829   5.5050  1736.40  106.721  1497.65  118.353 238.7507 159.3640 
1 1 1  -20    8   34 o  282.495  122.520  -0.1331   2.0060   2.2108   3.8504  -1.0063   2.3501  449.283  180.034  280.021  126.357 169.2626 219.9508 
1 1 1  -20    8   36 o  2310.23   84.088   85.579   6.0828   86.236   8.6255   84.929   8.5795  2287.81  120.835  2270.08  121.136 17.72949 171.0993 
1 1 1  -20    8   38 o  1709.03   80.940   46.887   4.3314   43.987   6.1605   49.723   6.0911  1626.33  121.860  1736.91  112.603 -110.5757 165.9196 
1 1 1  -20    8   40 o  639.691  125.537   7.0441   2.4248   9.5771   3.5071   4.7245   3.3561  731.919  157.683  519.288  174.615 212.6308 235.2756 
1 1 1  -20    8   42 o  2041.17   84.985   67.566   5.4317   70.017   7.7133   65.155   7.6503  2038.73  121.376  1962.12  125.173 76.61792 174.3568 
1 1 1  -20    8   44 o  1474.25   98.778   36.030   4.5335   34.512   5.6348   38.816   7.6335  1416.10  128.476  1454.36  170.880 -38.26514 213.7904 
1 1 1  -20    8   46 o  2751.12  110.051  128.551   9.4803  127.532   11.635  130.564   16.354  2675.65  139.350  2526.80  208.564 148.8477 250.8338 
1 1 1  -20    8   48 f  1520.29  129.380   42.248   6.1004   42.248   6.1004   0.0000   0.0000  1520.29  129.380  ?   ?  0.000000 129.3799 
1 1 1  -20    8   50 o  1657.78  129.956   53.366   6.6918   53.366   6.6918   0.0000   0.0000  1657.78  129.956  ?   ?  0.000000 129.9556 
1 1 1  -20    8   52 o  1032.63  153.841   24.242   4.8225   24.242   4.8225   0.0000   0.0000  1032.63  153.841  ?   ?  0.000000 153.8414 
1 1 1  -20    8   54 o  757.109  175.365   16.040   4.0757   16.040   4.0757   0.0000   0.0000  757.109  175.365  ?   ?  0.000000 175.3652 
1 1 1  -20    8   56 o  1439.74  162.231   59.679   7.1862   59.679   7.1862   0.0000   0.0000  1439.74  162.231  ?   ?  0.000000 162.2308 
1 1 1  -20    8   58 o  718.687  199.118   22.581   4.6354   22.581   4.6354   0.0000   0.0000  718.687  199.118  ?   ?  0.000000 199.1179 
1 1 1  -20    8   60 o  231.903  112.857   1.2033   2.6204  -0.6516   3.0046   7.0965   5.3557  213.646  106.898  268.229  135.311 -54.58276 172.4414 
1 1 1  -20    9    1 o  1054.17   87.514   17.703   2.8626   19.349   3.4919   14.328   4.9985  1099.01  102.661  921.888  179.617 177.1207 206.8848 
1 1 1  -20    9    3 o  659.975  104.652   7.0848   2.0905   8.7133   2.5295   3.5761   3.7130  731.189  114.218  504.706  182.691 226.4828 215.4574 
1 1 1  -20    9    5 f  901.963   91.745   13.013   2.5551   13.078   3.1873   12.897   4.2741  898.621  115.979  879.503  161.138 19.11768 198.5363 
1 1 1  -20    9    7 o  826.126   93.096   10.946   2.3662   10.870   2.9421   11.084   3.9817  817.335  118.407  813.560  161.995 3.774902 200.6553 
1 1 1  -20    9    9 o  1002.58   75.760   15.954   2.3608   18.897   3.3582   13.078   3.3195  1086.57   99.818  896.998  121.296 189.5757 157.0875 
1 1 1  -20    9   11 o  684.022   88.734   7.5292   1.8558   7.2747   2.6873   7.7613   2.5658  661.718  134.285  686.513  123.921 -24.79529 182.7260 
1 1 1  -20    9   13 o  2089.68   77.420   68.995   5.0658   72.373   7.1869   65.659   7.1416  2128.43  108.192  2025.16  113.073 103.2738 156.4963 
1 1 1  -20    9   15 o  1825.58   76.247   52.670   4.3585   55.207   6.2094   50.205   6.1194  1857.67  107.204  1769.89  110.981 87.78406 154.3027 
1 1 1  -20    9   17 o  1883.72   75.943   56.113   4.4794   64.030   6.4136   48.573   6.2589  2001.53  102.680  1737.66  115.692 263.8677 154.6865 
1 1 1  -20    9   19 o  1312.61   88.485   27.495   3.6156   30.526   6.5508   26.167   4.3359  1357.10  157.059  1273.89  109.772 83.20654 191.6180 
1 1 1  -20    9   21 o  2048.61  116.882   67.814   7.4666   67.795   10.544   67.834   10.575  2015.06  168.655  2015.28  169.148 -0.2114258 238.8629 
1 1 1  -20    9   23 o  515.161  133.228   4.4905   2.1651   6.4618   4.3089   3.8246   2.5042  614.799  197.413  480.901  150.016 133.8987 247.9444 
1 1 1  -20    9   25 o  1707.84   77.352   46.385   4.1365   50.701   5.9361   42.310   5.7674  1769.77  107.630  1612.41  114.987 157.3589 157.4995 
1 1 1  -20    9   27 o  556.207  113.144   5.1823   1.9035   6.9008   2.7961   3.6981   2.5985  634.303  144.064  473.905  153.423 160.3983 210.4592 
1 1 1  -20    9   29 f  1096.15   94.021   19.412   3.1958   17.512   5.5512   20.354   3.9085  998.873  184.274  1114.91  113.543 -116.0402 216.4461 
1 1 1  -20    9   31 o  2902.56   90.205  134.903   8.1984  138.882   11.625  130.967   11.563  2912.93  127.456  2825.55  130.697 87.38159 182.5560 
1 1 1  -20    9   33 o  1758.07   80.306   49.290   4.4208   51.162   6.2791   47.450   6.2252  1771.70  113.787  1703.81  117.401 67.88953 163.4947 
1 1 1  -20    9   35 o  2976.13  108.355  143.739   10.098  150.318   17.503  140.457   12.362  2931.24  191.756  2913.13  135.525 18.10742 234.8135 
1 1 1  -20    9   37 o  1182.14   87.528   22.579   3.2169   22.284   4.6288   22.854   4.4738  1153.09  130.499  1171.64  123.822 -18.54858 179.8938 
1 1 1  -20    9   39 o  1674.74   95.790   45.647   5.0024   44.455   6.1757   47.922   8.5307  1633.93  121.578  1654.51  166.946 -20.57898 206.5237 
1 1 1  -20    9   41 o  1875.58   96.576   57.506   5.6526   59.366   6.9545   53.886   9.7030  1885.98  118.365  1725.84  182.310 160.1366 217.3639 
1 1 1  -20    9   43 o  874.933  117.306   12.991   3.1328   11.897   3.9272   14.907   5.1953  810.701  160.385  884.564  192.996 -73.86304 250.9393 
1 1 1  -20    9   45 o  3096.96  115.860  162.635   11.235  158.091   13.798  171.577   19.356  2982.62  147.739  2923.88  212.875 58.74438 259.1187 
1 1 1  -20    9   47 o  3069.45  118.578  165.046   11.397  161.421   13.986  172.212   19.662  2932.50  152.841  2759.00  229.677 173.5044 275.8841 
1 1 1  -20    9   49 o  2281.11  138.681  100.661   9.8586  100.661   9.8586   0.0000   0.0000  2281.11  138.681  ?   ?  0.000000 138.6814 
1 1 1  -20    9   51 o  404.150  170.608   3.8306   3.7027   3.8306   3.7027   0.0000   0.0000  404.150  170.608  ?   ?  0.000000 170.6079 
1 1 1  -20    9   53 o  452.555  170.342   6.0949   3.2824   6.0949   3.2824   0.0000   0.0000  452.555  170.342  ?   ?  0.000000 170.3421 
1 1 1  -20    9   55 o  1433.69  148.037   51.881   6.5501   51.881   6.5501   0.0000   0.0000  1433.69  148.037  ?   ?  0.000000 148.0374 
1 1 1  -20    9   57 o  446.771  178.626   9.6945   3.7811   9.6945   3.7811   0.0000   0.0000  446.771  178.626  ?   ?  0.000000 178.6255 
1 1 1  -20    9   59 o  913.635  203.468   37.427   5.6715   37.427   5.6715   0.0000   0.0000  913.635  203.468  ?   ?  0.000000 203.4684 
1 1 1  -20   10    2 o  342.087  124.178   1.5574   1.7172   1.7450   2.0178   1.0647   3.2700  365.926  134.337  400.614  163.931 -34.68823 211.9432 
1 1 1  -20   10    4 o  1714.89   88.368   46.659   4.7290   45.809   5.7946   48.353   8.1828  1693.07  109.898  1723.53  153.221 -30.45630 188.5585 
1 1 1  -20   10    6 o  475.775  110.283   3.7444   1.6109   2.5644   2.2381   5.0130   2.3205  415.460  142.573  548.309  135.854 -132.8491 196.9345 
1 1 1  -20   10    8 f  707.418   86.870   8.0327   1.8838   6.1171   2.5704   10.256   2.7690  605.392  138.585  794.363  114.640 -188.9709 179.8561 
1 1 1  -20   10   10 o  940.056   80.342   14.063   2.3422   16.404   3.3185   11.740   3.3063  1010.03  106.534  846.989  128.716 163.0444 167.0846 
1 1 1  -20   10   12 o  1560.63   76.607   38.468   3.7436   37.355   5.3392   39.543   5.2503  1526.32  112.508  1572.26  107.286 -45.94226 155.4619 
1 1 1  -20   10   14 o  330.178  117.263   1.5199   1.5220   3.8677   2.2480  -0.4670   2.0680  484.046  140.224  279.386  122.717 204.6601 186.3396 
1 1 1  -20   10   16 o  354.009  128.005   1.7037   1.8221   0.2143   3.4432   2.2831   2.1475  382.653  163.146  396.978  139.461 -14.32413 214.6304 
1 1 1  -20   10   18 o  2101.45   93.186   70.252   6.1318   69.819   10.639   70.468   7.5034  2053.67  166.889  2093.14  114.923 -39.47241 202.6312 
1 1 1  -20   10   20 o  834.443  103.194   11.296   2.6388   13.660   4.7108   10.216   3.1855  893.439  174.648  783.416  134.715 110.0231 220.5673 
1 1 1  -20   10   22 o  1284.00   79.448   26.275   3.1785   25.274   4.6140   27.179   4.3850  1245.36  119.799  1296.07  109.063 -50.71008 162.0082 
1 1 1  -20   10   24 o  629.965  105.045   6.5361   1.9991   7.4402   3.0161   5.8277   2.6699  659.730  149.463  584.086  146.296 75.64325 209.1451 
1 1 1  -20   10   26 o  1466.08   77.924   34.258   3.5644   38.775   5.1432   30.084   4.9443  1548.29  106.739  1358.26  117.408 190.0360 158.6753 
1 1 1  -20   10   28 o  1329.64   90.936   28.382   3.7633   29.639   6.4960   27.747   4.6171  1326.09  159.649  1305.43  114.099 20.66406 196.2307 
1 1 1  -20   10   30 o  690.879  101.890   7.8179   2.1380   8.1949   3.1083   7.4793   2.9456  692.971  147.761  661.945  146.030 31.02612 207.7452 
1 1 1  -20   10   32 o  742.937  105.928   9.0551   2.3944   8.3504   3.4284   9.7261   3.3456  694.713  160.787  756.178  146.590 -61.46497 217.5803 
1 1 1  -20   10   34 o  1072.13   99.877   18.647   3.3144   18.373   4.0547   19.200   5.7535  1053.79  125.342  1048.47  181.842 5.317993 220.8555 
1 1 1  -20   10   36 o  2324.72  123.507   88.922   8.9581   92.497   12.618   85.288   12.720  2315.45  175.338  2211.06  185.436 104.3923 255.2055 
1 1 1  -20   10   38 o  2813.10  106.511  128.942   9.3820  121.773   11.476  143.387   16.290  2697.60  136.308  2855.38  183.166 -157.7751 228.3191 
1 1 1  -20   10   40 o  2029.00   95.946   66.842   6.0957   68.045   7.4746   64.452   10.533  2025.56  118.365  1905.09  178.657 120.4597 214.3094 
1 1 1  -20   10   42 o  1383.15   99.016   31.416   4.2600   30.965   5.2459   32.288   7.3001  1354.72  125.078  1335.92  179.016 18.79980 218.3831 
1 1 1  -20   10   44 o  1282.45  103.055   27.391   4.1034   23.502   5.0754   34.731   6.9724  1156.06  143.280  1385.43  163.901 -229.3691 217.6985 
1 1 1  -20   10   46 o  480.456  170.974   4.3187   3.2371   4.3187   3.2371   0.0000   0.0000  480.456  170.974  ?   ?  0.000000 170.9739 
1 1 1  -20   10   48 o  1064.28  149.508   22.044   4.8450   22.044   4.8450   0.0000   0.0000  1064.28  149.508  ?   ?  0.000000 149.5083 
1 1 1  -20   10   50 o  919.041  171.705   18.934   4.7595   18.934   4.7595   0.0000   0.0000  919.041  171.705  ?   ?  0.000000 171.7046 
1 1 1  -20   10   52 o  1103.15  161.066   28.347   5.3996   28.347   5.3996   0.0000   0.0000  1103.15  161.066  ?   ?  0.000000 161.0656 
1 1 1  -20   10   54 o  1970.12  489.752  417.768   30.082  417.768   30.082   0.0000   0.0000  1970.12  489.752  ?   ?  0.000000 489.7521 
1 1 1  -20   10   56 o  1878.11  193.037  118.059   11.191  118.059   11.191   0.0000   0.0000  1878.11  193.037  ?   ?  0.000000 193.0371 
1 1 1  -20   10   58 o  601.568  274.629   76.565   11.504   76.565   11.504   0.0000   0.0000  601.568  274.629  ?   ?  0.000000 274.6293 
1 1 1  -20   11    1 o  785.914  123.774   10.106   2.9452   10.106   2.9452   0.0000   0.0000  785.914  123.774  ?   ?  0.000000 123.7740 
1 1 1  -20   11    3 o  1463.73  108.188   34.274   4.9235   34.274   4.9235   0.0000   0.0000  1463.73  108.188  ?   ?  0.000000 108.1885 
1 1 1  -20   11    5 o  618.716  117.899   6.3027   2.2007   5.7885   2.6030   7.5915   4.1207  588.311  142.755  669.893  188.503 -81.58142 236.4585 
1 1 1  -20   11    7 o  1153.23   88.416   21.170   3.1684   17.578   3.8511   28.695   5.5739  1042.58  120.168  1330.30  135.710 -287.7255 181.2666 
1 1 1  -20   11    9 o  978.337   98.187   15.339   2.9673   15.107   3.5741   15.852   5.3231  965.162  120.918  969.532  182.026 -4.369995 218.5282 
1 1 1  -20   11   11 o  477.653  115.417   3.7854   1.7070  -0.6490   2.5591   7.3399   2.2911  308.134  135.887  669.605  113.316 -361.4702 176.9347 
1 1 1  -20   11   13 o  322.987  125.170   1.0962   1.8068   3.1286   3.3366   0.2529   2.1492  474.985  172.992  309.549  130.289 165.4356 216.5670 
1 1 1  -20   11   15 o  1426.31   87.586   32.377   3.8928   31.741   6.8087   32.686   4.7448  1386.52  159.748  1427.48  106.929 -40.95959 192.2326 
1 1 1  -20   11   17 o  1252.26   89.014   25.024   3.4676   23.757   6.1811   25.606   4.1889  1190.66  170.672  1261.57  107.050 -70.90479 201.4663 
1 1 1  -20   11   19 o  895.082   83.945   12.823   2.3253   15.003   3.3741   10.852   3.2089  960.414  114.453  809.748  131.036 150.6661 173.9825 
1 1 1  -20   11   21 o  1884.33   78.949   56.317   4.6582   58.164   6.6700   54.558   6.5085  1899.27  112.659  1838.81  113.594 60.45947 159.9867 
1 1 1  -20   11   23 o  1207.56   78.203   23.229   2.9411   23.139   4.2157   23.315   4.1051  1193.73  114.177  1199.65  110.527 -5.913452 158.9103 
1 1 1  -20   11   25 o  1821.76   79.151   52.690   4.5151   52.581   6.4565   52.794   6.3164  1802.75  114.979  1807.83  112.135 -5.083618 160.6059 
1 1 1  -20   11   27 o  511.040  133.231   4.4050   2.1538   1.0625   3.8709   5.9039   2.5922  423.138  176.246  589.733  142.061 -166.5946 226.3712 
1 1 1  -20   11   29 o  1209.27   93.306   23.472   3.5057   26.193   4.5178   19.352   5.5580  1270.09  114.842  1065.97  172.400 204.1130 207.1485 
1 1 1  -20   11   31 o  729.645  117.204   8.7964   2.5871   12.885   3.2589   1.8283   4.2545  884.886  120.768  459.066  187.319 425.8207 222.8752 
1 1 1  -20   11   33 o  1287.66   96.155   26.708   3.8490   32.722   4.7660   15.430   6.5266  1421.00  107.920  917.253  228.174 503.7480 252.4090 
1 1 1  -20   11   35 o  3033.14  110.724  149.108   10.516  144.622   12.909  157.958   18.132  2957.91  139.375  3014.75  193.094 -56.84473 238.1399 
1 1 1  -20   11   37 o  975.786  110.295   15.663   3.3108   14.268   4.0669   18.404   5.7010  914.176  147.061  1017.81  185.726 -103.6373 236.8987 
1 1 1  -20   11   39 o  1011.45  107.738   16.848   3.3596   17.213   4.0240   16.007   6.1040  1011.45  130.069  922.593  215.236 88.85791 251.4843 
1 1 1  -20   11   41 o  1115.33  131.410   21.053   4.5012   14.370   6.1813   28.598   6.5677  856.933  226.816  1272.94  168.948 -416.0121 282.8234 
1 1 1  -20   11   43 f  514.567  180.278   4.6462   3.5873   4.6462   3.5873   0.0000   0.0000  514.567  180.278  ?   ?  0.000000 180.2780 
1 1 1  -20   11   45 f  3269.53  152.653  192.790   15.628  192.790   15.628   0.0000   0.0000  3269.53  152.653  ?   ?  0.000000 152.6534 
1 1 1  -20   11   47 o  1590.40  125.871   45.560   6.2171   45.560   6.2171   0.0000   0.0000  1590.40  125.871  ?   ?  0.000000 125.8712 
1 1 1  -20   11   49 o  1670.72  136.597   54.202   7.0835   54.202   7.0835   0.0000   0.0000  1670.72  136.597  ?   ?  0.000000 136.5972 
1 1 1  -20   11   51 o  2046.45  144.495   88.372   9.1996   88.372   9.1996   0.0000   0.0000  2046.45  144.495  ?   ?  0.000000 144.4948 
1 1 1  -20   11   53 o  2237.63  166.915  124.706   11.611  124.706   11.611   0.0000   0.0000  2237.63  166.915  ?   ?  0.000000 166.9152 
1 1 1  -20   11   55 o  971.301  360.333  102.805   14.584  102.805   14.584   0.0000   0.0000  971.301  360.333  ?   ?  0.000000 360.3327 
1 1 1  -20   11   57 o  593.841  256.002   40.084   8.6522   40.084   8.6522   0.0000   0.0000  593.841  256.002  ?   ?  0.000000 256.0018 
1 1 1  -20   12    2 o  606.723  119.344   6.0769   2.1865   4.8365   2.6145   8.9630   3.9881  538.804  149.636  726.350  176.975 -187.5457 231.7561 
1 1 1  -20   12    4 o  515.297  146.596   4.3990   2.4781   4.3990   2.4781   0.0000   0.0000  515.297  146.596  ?   ?  0.000000 146.5960 
1 1 1  -20   12    6 o  1530.44   90.286   37.226   4.3075   36.385   5.2729   38.915   7.4685  1506.77  112.572  1542.32  156.828 -35.55310 193.0478 
1 1 1  -20   12    8 o  1003.27   96.250   16.113   2.9866   12.700   3.7090   22.406   5.0365  878.328  139.528  1172.00  140.012 -293.6733 197.6648 
1 1 1  -20   12   10 o  641.523  139.471   6.8732   2.7217   7.0598   3.8414   6.6852   3.8569  646.032  182.076  630.288  183.984 15.74432 258.8467 
1 1 1  -20   12   12 o  1597.46  111.730   40.920   5.5536   39.840   7.8103   42.025   7.8983  1555.84  162.726  1599.68  159.822 -43.83130 228.0852 
1 1 1  -20   12   14 o  737.518  143.135   9.0763   3.1863   7.4702   4.4500   10.766   4.5643  663.350  198.662  791.990  187.036 -128.6405 272.8535 
1 1 1  -20   12   16 o  1336.71   91.827   28.512   3.8202   27.356   4.6435   30.932   6.7199  1302.23  115.062  1367.50  159.956 -65.26770 197.0411 
1 1 1  -20   12   18 o  1354.99   92.332   29.321   3.8941   26.594   4.7537   34.884   6.7896  1281.45  119.864  1455.80  151.148 -174.3544 192.9074 
1 1 1  -20   12   20 o  1565.43   91.530   39.105   4.4670   39.498   5.4407   38.292   7.8248  1566.17  111.675  1516.14  167.627 50.02771 201.4203 
1 1 1  -20   12   22 o  344.924  141.464   0.7672   2.4420   0.7672   2.4420   0.0000   0.0000  344.924  141.464  ?   ?  0.000000 141.4640 
1 1 1  -20   12   24 o  1643.73  112.742   43.539   5.7677   43.539   5.7677   0.0000   0.0000  1643.73  112.742  ?   ?  0.000000 112.7417 
1 1 1  -20   12   26 o  2693.22  185.905  121.635   15.582  121.635   15.582   0.0000   0.0000  2693.22  185.905  ?   ?  0.000000 185.9054 
1 1 1  -20   12   28 o  419.629  162.065   2.0410   3.0209   2.0410   3.0209   0.0000   0.0000  419.629  162.065  ?   ?  0.000000 162.0646 
1 1 1  -20   12   30 o  1601.32  115.783   41.474   5.7664   41.474   5.7664   0.0000   0.0000  1601.32  115.783  ?   ?  0.000000 115.7832 
1 1 1  -20   12   32 o  741.197  162.475   9.4347   3.6668   9.4347   3.6668   0.0000   0.0000  741.197  162.475  ?   ?  0.000000 162.4755 
1 1 1  -20   12   34 o  462.928  163.675   3.2614   2.9620   3.2614   2.9620   0.0000   0.0000  462.928  163.675  ?   ?  0.000000 163.6753 
1 1 1  -20   12   36 o  3334.02  144.834  184.587   15.120  184.587   15.120   0.0000   0.0000  3334.02  144.834  ?   ?  0.000000 144.8336 
1 1 1  -20   12   38 o  3104.69  139.476  160.335   13.559  160.335   13.559   0.0000   0.0000  3104.69  139.476  ?   ?  0.000000 139.4756 
1 1 1  -20   12   40 o  2215.29  186.281   86.809   12.802   86.809   12.802   0.0000   0.0000  2215.29  186.281  ?   ?  0.000000 186.2815 
1 1 1  -20   12   42 o  558.282  177.591   5.6243   3.4933   5.6243   3.4933   0.0000   0.0000  558.282  177.591  ?   ?  0.000000 177.5914 
1 1 1  -20   12   44 o  3395.74  156.205  206.128   16.609  206.128   16.609   0.0000   0.0000  3395.74  156.205  ?   ?  0.000000 156.2054 
1 1 1  -20   12   46 o  650.646  186.039   8.8466   3.9806   8.8466   3.9806   0.0000   0.0000  650.646  186.039  ?   ?  0.000000 186.0389 
1 1 1  -20   12   48 o  492.784  184.579   5.4365   3.8449   5.4365   3.8449   0.0000   0.0000  492.784  184.579  ?   ?  0.000000 184.5791 
1 1 1  -20   12   50 o  1006.04  165.316   22.118   5.0268   22.118   5.0268   0.0000   0.0000  1006.04  165.316  ?   ?  0.000000 165.3165 
1 1 1  -20   12   52 o  1588.76  461.058  214.659   24.284  214.659   24.284   0.0000   0.0000  1588.76  461.058  ?   ?  0.000000 461.0580 
1 1 1  -20   12   54 o  610.092  244.144   21.368   7.0705   21.368   7.0705   0.0000   0.0000  610.092  244.144  ?   ?  0.000000 244.1442 
1 1 1  -20   12   56 o  821.421  207.992   24.534   5.3551   24.534   5.3551   0.0000   0.0000  821.421  207.992  ?   ?  0.000000 207.9915 
1 1 1  -20   13    1 o  949.234   84.682   14.360   2.4906   15.528   3.4380   13.070   3.6129  980.653  114.095  893.479  133.210 87.17413 175.3924 
1 1 1  -20   13    3 o  517.904  122.091   4.4552   1.9476   6.0306   2.7551   2.8816   2.7536  599.872  147.670  447.012  157.836 152.8596 216.1448 
1 1 1  -20   13    5 o  1731.08   91.030   47.596   4.9169   48.209   6.0112   46.356   8.5468  1736.20  111.155  1681.60  164.421 54.60376 198.4688 
1 1 1  -20   13    7 o  997.030   98.822   15.929   3.0445   17.584   5.3143   15.121   3.7145  1026.22  171.428  964.216  126.048 62.00299 212.7809 
1 1 1  -20   13    9 o  866.018  103.389   12.086   2.7482   8.3145   4.9074   13.809   3.3171  699.832  208.404  922.941  117.441 -223.1083 239.2164 
1 1 1  -20   13   11 o  1335.67   92.446   28.419   3.8426   26.246   6.6668   29.500   4.7022  1256.21  174.176  1355.66  111.770 -99.45581 206.9532 
1 1 1  -20   13   13 o  718.514  119.693   8.4677   2.5982   9.1826   3.1826   7.0393   4.4989  742.920  141.986  648.328  200.880 94.59204 245.9939 
1 1 1  -20   13   15 o  1390.25  111.636   31.049   4.8188   31.049   4.8188   0.0000   0.0000  1390.25  111.636  ?   ?  0.000000 111.6365 
1 1 1  -20   13   17 o  1482.80  165.379   36.346   7.5478   36.346   7.5478   0.0000   0.0000  1482.80  165.379  ?   ?  0.000000 165.3793 
1 1 1  -20   13   19 o  2128.95  117.192   72.795   7.7823   72.795   7.7823   0.0000   0.0000  2128.95  117.192  ?   ?  0.000000 117.1921 
1 1 1  -20   13   21 o  1274.69  117.815   26.237   4.6492   26.237   4.6492   0.0000   0.0000  1274.69  117.815  ?   ?  0.000000 117.8151 
1 1 1  -20   13   23 o  1985.95  116.007   63.336   7.1825   63.336   7.1825   0.0000   0.0000  1985.95  116.007  ?   ?  0.000000 116.0070 
1 1 1  -20   13   25 o  625.680  198.007   6.5293   4.3470   6.5293   4.3470   0.0000   0.0000  625.680  198.007  ?   ?  0.000000 198.0072 
1 1 1  -20   13   27 o  1759.83  114.166   49.796   6.2571   49.796   6.2571   0.0000   0.0000  1759.83  114.166  ?   ?  0.000000 114.1659 
1 1 1  -20   13   29 o  2186.34  121.193   77.133   8.2644   77.133   8.2644   0.0000   0.0000  2186.34  121.193  ?   ?  0.000000 121.1930 
1 1 1  -20   13   31 o  3008.74  135.841  147.188   12.798  147.188   12.798   0.0000   0.0000  3008.74  135.841  ?   ?  0.000000 135.8407 
1 1 1  -20   13   33 o  990.552  144.758   16.393   4.3574   16.393   4.3574   0.0000   0.0000  990.552  144.758  ?   ?  0.000000 144.7580 
1 1 1  -20   13   35 o  1324.19  124.891   28.777   5.1173   28.777   5.1173   0.0000   0.0000  1324.19  124.891  ?   ?  0.000000 124.8914 
1 1 1  -20   13   37 o  3487.10  148.387  202.326   16.202  202.326   16.202   0.0000   0.0000  3487.10  148.387  ?   ?  0.000000 148.3872 
1 1 1  -20   13   39 o  1226.42  129.522   25.044   4.8987   25.044   4.8987   0.0000   0.0000  1226.42  129.522  ?   ?  0.000000 129.5220 
1 1 1  -20   13   41 o  2021.46  121.559   67.874   7.6585   67.874   7.6585   0.0000   0.0000  2021.46  121.559  ?   ?  0.000000 121.5585 
1 1 1  -20   13   43 o  2243.07  128.048   85.717   8.9563   85.717   8.9563   0.0000   0.0000  2243.07  128.048  ?   ?  0.000000 128.0483 
1 1 1  -20   13   45 o  1201.81  140.336   26.037   5.1816   26.037   5.1816   0.0000   0.0000  1201.81  140.336  ?   ?  0.000000 140.3357 
1 1 1  -20   13   47 o  1188.75  141.482   26.622   5.1629   26.622   5.1629   0.0000   0.0000  1188.75  141.482  ?   ?  0.000000 141.4824 
1 1 1  -20   13   49 o  513.697  216.863   7.5017   5.9831   7.5017   5.9831   0.0000   0.0000  513.697  216.863  ?   ?  0.000000 216.8632 
1 1 1  -20   13   51 o  1868.54  298.124  129.085   16.857  129.085   16.857   0.0000   0.0000  1868.54  298.124  ?   ?  0.000000 298.1240 
1 1 1  -20   13   53 o  374.060  166.704   3.3955   3.9529   3.3955   3.9529   0.0000   0.0000  374.060  166.704  ?   ?  0.000000 166.7041 
1 1 1  -20   13   55 o  1769.86  164.783   82.656   9.0271   82.656   9.0271   0.0000   0.0000  1769.86  164.783  ?   ?  0.000000 164.7834 
1 1 1  -20   14    2 o  636.777  114.544   6.6421   2.1999   7.8797   3.0196   5.2421   3.2116  688.088  144.734  564.289  168.720 123.7997 222.2937 
1 1 1  -20   14    4 o  483.033  142.732   3.8128   2.3087   4.5608   4.0371   3.4493   2.8144  550.498  191.337  474.987  159.902 75.51053 249.3563 
1 1 1  -20   14    6 o  1282.99  115.684   26.424   4.5975   21.809   6.4313   31.248   6.5746  1141.76  186.317  1383.53  154.396 -241.7668 241.9760 
1 1 1  -20   14    8 o  675.208  153.761   7.6395   3.1781   11.273   4.4924   3.9997   4.4966  816.231  180.559  542.411  200.308 273.8193 269.6759 
1 1 1  -20   14   10 o  1432.42   92.306   32.624   4.1181   35.954   5.0261   25.821   7.1833  1499.99  107.727  1241.77  190.850 258.2209 219.1547 
1 1 1  -20   14   12 o  794.927  114.707   10.267   2.7726   12.268   3.3949   6.2606   4.8044  866.531  129.058  625.625  208.930 240.9061 245.5764 
1 1 1  -20   14   14 o  1936.22   93.233   59.409   5.6525   59.814   6.9431   58.612   9.7340  1933.47  115.206  1892.32  165.955 41.15198 202.0235 
1 1 1  -20   14   16 o  1590.70   93.037   40.230   4.6139   39.750   5.6775   41.164   7.9175  1574.52  115.974  1585.22  161.775 -10.70117 199.0508 
1 1 1  -20   14   18 o  1814.13  113.983   52.669   6.4419   52.669   6.4419   0.0000   0.0000  1814.13  113.983  ?   ?  0.000000 113.9832 
1 1 1  -20   14   20 o  1573.74   91.038   39.357   4.4670   42.025   5.5160   34.272   7.6141  1621.20  109.298  1440.67  172.198 180.5243 203.9564 
1 1 1  -20   14   22 o  1650.92   93.504   43.342   4.8138   41.441   5.9210   47.048   8.2672  1606.64  118.534  1696.99  157.373 -90.35828 197.0190 
1 1 1  -20   14   24 o  1127.43   95.862   20.312   3.3521   24.717   4.1588   12.143   5.6633  1241.27  108.079  836.820  214.986 404.4457 240.6247 
1 1 1  -20   14   26 o  591.424  167.457   5.8783   3.2415   5.8783   3.2415   0.0000   0.0000  591.424  167.457  ?   ?  0.000000 167.4574 
1 1 1  -20   14   28 f  334.123  144.861  -0.2486   2.8023  -0.2486   2.8023   0.0000   0.0000  334.123  144.861  ?   ?  0.000000 144.8615 
1 1 1  -20   14   30 o  3146.52  137.499  160.531   13.547  160.531   13.547   0.0000   0.0000  3146.52  137.499  ?   ?  0.000000 137.4987 
1 1 1  -20   14   32 o  1851.15  119.695   55.458   6.9009   55.458   6.9009   0.0000   0.0000  1851.15  119.695  ?   ?  0.000000 119.6950 
1 1 1  -20   14   34 o  556.160  177.065   5.1765   3.4721   5.1765   3.4721   0.0000   0.0000  556.160  177.065  ?   ?  0.000000 177.0653 
1 1 1  -20   14   36 o  3080.76  136.563  155.573   13.174  155.573   13.174   0.0000   0.0000  3080.76  136.563  ?   ?  0.000000 136.5632 
1 1 1  -20   14   38 o  1638.12  179.191   46.272   9.0415   46.272   9.0415   0.0000   0.0000  1638.12  179.191  ?   ?  0.000000 179.1907 
1 1 1  -20   14   40 f  3450.83  151.159  201.494   16.333  201.494   16.333   0.0000   0.0000  3450.83  151.159  ?   ?  0.000000 151.1594 
1 1 1  -20   14   42 o  1882.24  125.235   59.787   7.3390   59.787   7.3390   0.0000   0.0000  1882.24  125.235  ?   ?  0.000000 125.2354 
1 1 1  -20   14   44 f  853.099  162.506   13.597   4.1824   13.597   4.1824   0.0000   0.0000  853.099  162.506  ?   ?  0.000000 162.5057 
1 1 1  -20   14   46 o  2246.58  216.936  111.253   15.071  111.253   15.071   0.0000   0.0000  2246.58  216.936  ?   ?  0.000000 216.9359 
1 1 1  -20   14   48 o  502.893  210.935   6.0637   5.6016   6.0637   5.6016   0.0000   0.0000  502.893  210.935  ?   ?  0.000000 210.9349 
1 1 1  -20   14   50 o  363.873  162.375   1.5515   3.7634   1.5515   3.7634   0.0000   0.0000  363.873  162.375  ?   ?  0.000000 162.3750 
1 1 1  -20   14   52 o  612.930  199.261   11.021   4.3805   11.021   4.3805   0.0000   0.0000  612.930  199.261  ?   ?  0.000000 199.2608 
1 1 1  -20   14   54 o  1707.42  117.235   59.476   6.2298   55.551   7.5273   68.012   11.100  1500.57  162.814  1233.42  291.930 267.1505 334.2629 
1 1 1  -20   15    1 f  1356.49  121.775   29.486   5.1173   27.491   7.2517   31.465   7.2222  1290.30  184.761  1387.19  169.818 -96.88525 250.9485 
1 1 1  -20   15    3 o  1280.46  119.913   26.288   4.7519   30.430   6.6037   21.840   6.8429  1367.69  157.048  1142.42  198.496 225.2712 253.1100 
1 1 1  -20   15    5 o  999.523  201.671   16.866   6.0941   0.0000   0.0000   16.866   6.0941  ?   ?   999.523  201.671 0.000000 201.6709 
1 1 1  -20   15    7 o  916.445  108.934   13.505   3.0648   13.043   3.7328   14.460   5.3686  893.462  137.861  926.554  191.380 -33.09271 235.8640 
1 1 1  -20   15    9 o  303.243  130.055  -0.0803   2.2115  -1.0570   2.6740   2.0338   3.9338  305.705  136.611  462.075  183.011 -156.3703 228.3759 
1 1 1  -20   15   11 o  808.195  116.966   10.592   2.8739   10.797   3.5094   10.174   5.0077  809.574  143.704  773.729  203.845 35.84534 249.4068 
1 1 1  -20   15   13 o  1288.69   95.868   26.420   3.8408   24.830   4.7021   29.606   6.6579  1242.84  122.414  1346.19  161.152 -103.3483 202.3735 
1 1 1  -20   15   15 o  1205.73   95.415   23.143   3.5729   24.744   4.3703   19.915   6.2044  1242.86  113.553  1091.70  188.304 151.1655 219.8922 
1 1 1  -20   15   17 o  875.624  134.886   12.529   3.5796   12.529   3.5796   0.0000   0.0000  875.624  134.886  ?   ?  0.000000 134.8859 
1 1 1  -20   15   19 f  552.254  140.504   5.0745   2.4355   4.4809   3.0464   6.1259   4.0545  527.630  165.602  612.018  190.879 -84.38751 252.7029 
1 1 1  -20   15   21 o  834.351  112.658   11.263   2.8680   13.094   3.5997   8.0792   4.7457  895.742  132.327  693.140  204.585 202.6020 243.6500 
1 1 1  -20   15   23 o  731.588  122.115   8.7601   2.6988   8.8587   3.2594   8.5452   4.8129  729.484  147.759  710.130  205.018 19.35425 252.7150 
1 1 1  -20   15   25 o  625.344  141.570   6.5334   2.7076   5.3500   3.3562   8.7393   4.5822  569.594  172.966  715.953  197.823 -146.3594 262.7762 
1 1 1  -20   15   27 o  590.978  150.726   5.8714   2.7980   9.0415   3.4484  -0.2367   4.7867  733.672  154.966  436.424  189.270 297.2480 244.6175 
1 1 1  -20   15   29 o  1074.57  106.425   18.593   3.5338   17.352   4.3297   21.071   6.1162  1028.07  137.980  1117.68  180.946 -89.61243 227.5520 
1 1 1  -20   15   31 o  2349.66   98.321   87.986   7.2338   80.534   8.8471  103.016   12.565  2231.52  127.141  2501.05  161.302 -269.5266 205.3856 
1 1 1  -20   15   33 f  659.224  148.526   7.3656   2.9923   7.6784   3.6754   6.7507   5.1533  667.848  174.008  638.547  216.367 29.30023 277.6573 
1 1 1  -20   15   35 f  1859.90   97.043   55.435   5.6320   51.452   6.8766   63.550   9.8156  1778.60  124.255  1952.89  161.980 -174.2921 204.1493 
1 1 1  -20   15   37 f  1240.84  106.161   24.973   4.0851   22.441   5.0169   29.955   7.0373  1160.60  140.941  1323.71  173.998 -163.1146 223.9193 
1 1 1  -20   15   39 o  886.874  160.343   13.642   4.2889   9.1947   6.0978   17.996   6.0334  704.224  235.378  997.040  200.211 -292.8152 309.0103 
1 1 1  -20   15   41 o  670.278  179.567   8.2996   3.8447   11.608   5.2107   4.3462   5.6960  775.430  209.602  544.874  218.747 230.5561 302.9573 
1 1 1  -20   15   43 o  1516.82  127.379   39.647   5.9939   37.136   8.3252   42.350   8.6367  1384.81  197.597  1490.66  189.302 -105.8550 273.6422 
1 1 1  -20   15   45 f  1576.70  131.952   44.316   6.4546   36.381   8.8568   53.305   9.4263  1287.67  228.005  1634.57  187.566 -346.8982 295.2412 
1 1 1  -20   15   47 o  526.161  174.376   5.8442   3.3488   5.9113   4.0703   5.7034   5.8913  519.680  190.793  511.003  215.430 8.677612 287.7712 
1 1 1  -20   15   49 o  979.426  137.973   18.612   4.1141   13.543   4.8876   30.935   7.6207  742.242  203.991  1099.17  228.857 -356.9301 306.5744 
1 1 1  -20   15   51 o  1188.46  126.285   27.537   4.6275   30.615   5.5279   20.330   8.4595  1208.99  149.187  662.488  266.364 546.4983 305.2975 
1 1 1  -20   15   53 f  1523.88  117.930   46.001   5.5834   40.562   6.6884   58.506   10.141  1303.33  167.787  1300.34  258.167 2.983276 307.9007 
1 1 1  -20   16    2 o  363.827  154.358   0.1559   3.0554   2.4339   4.0469  -2.8639   4.6596  480.975  187.070  382.739  174.750 98.23572 255.9935 
1 1 1  -20   16    4 o  1396.01   96.384   30.915   4.1874   30.255   4.9813   32.505   7.7310  1376.79  116.644  1409.97  179.154 -33.17725 213.7803 
1 1 1  -20   16    6 o  590.845  144.250   5.7891   2.6455   4.9159   3.0694   8.3121   5.2172  550.094  165.046  709.658  215.689 -159.5646 271.5911 
1 1 1  -20   16    8 o  1134.06  100.734   20.484   3.5399   22.077   4.2729   16.999   6.3205  1174.15  117.809  1004.80  207.751 169.3494 238.8291 
1 1 1  -20   16   10 o  365.494  144.316   1.2186   2.4392   0.8520   2.9499   2.0110   4.3373  379.618  155.562  479.031  191.389 -99.41254 246.6358 
1 1 1  -20   16   12 o  342.676  145.704   0.0901   2.7327   0.0901   2.7327   0.0000   0.0000  342.676  145.704  ?   ?  0.000000 145.7037 
1 1 1  -20   16   14 o  1741.98   94.250   48.068   5.1218   48.732   6.2536   46.714   8.9267  1749.13  114.817  1695.04  170.501 54.09155 205.5562 
1 1 1  -20   16   16 o  1529.17  115.658   37.315   5.4970   37.315   5.4970   0.0000   0.0000  1529.17  115.658  ?   ?  0.000000 115.6579 
1 1 1  -20   16   18 o  944.552  110.232   14.333   3.1989   14.516   3.8953   13.953   5.6063  944.661  135.575  907.927  202.368 36.73389 243.5847 
1 1 1  -20   16   20 o  993.520  106.102   15.819   3.2497   15.468   3.9268   16.581   5.7891  976.238  131.832  993.414  193.061 -17.17603 233.7784 
1 1 1  -20   16   22 o  1859.51   95.069   54.854   5.5169   60.767   6.7681   43.145   9.5241  1952.82  111.144  1615.26  192.071 337.5646 221.9105 
1 1 1  -20   16   24 f  557.923  150.762   5.1840   2.6963   6.5998   3.3006   2.3438   4.6748  627.083  165.630  498.465  198.844 128.6186 258.7904 
1 1 1  -20   16   26 o  2053.00   96.149   66.836   6.1809   74.910   7.6306   51.429   10.540  2165.50  112.925  1757.66  194.788 407.8420 225.1545 
1 1 1  -20   16   28 o  1270.14  100.809   25.798   3.9764   24.801   4.8677   27.797   6.8937  1237.48  127.446  1292.96  174.752 -55.47668 216.2890 
1 1 1  -20   16   30 o  1183.86  102.497   22.478   3.7621   22.983   4.6637   21.539   6.3655  1189.70  127.161  1128.72  186.629 60.98303 225.8329 
1 1 1  -20   16   32 o  868.251  119.855   12.313   3.1716   15.029   3.8082   6.1633   5.7300  957.396  130.426  632.412  227.213 324.9832 261.9860 
1 1 1  -20   16   34 o  897.593  124.636   13.225   3.4085   14.054   4.1290   11.454   6.0389  917.240  148.867  801.721  229.111 115.5198 273.2272 
1 1 1  -20   16   36 o  3625.05  122.502  213.008   13.905  207.236   17.034  224.536   24.074  3541.17  153.619  3592.15  215.021 -50.97729 264.2589 
1 1 1  -20   16   38 o  1320.05  133.025   28.959   5.4235   29.112   7.6802   28.807   7.6599  1281.20  197.813  1273.87  198.502 7.328491 280.2374 
1 1 1  -20   16   40 o  1821.40  125.271   55.411   7.1011   47.945   9.9992   63.006   10.086  1616.52  201.952  1891.87  172.145 -275.3523 265.3650 
1 1 1  -20   16   42 o  1179.47  139.932   24.267   5.0672   25.753   6.9234   22.552   7.4362  1160.69  197.575  1047.46  232.764 113.2310 305.3110 
1 1 1  -20   16   44 o  1429.72  108.831   34.742   4.8356   31.060   5.7573   43.559   8.9097  1316.26  141.932  1479.81  197.190 -163.5497 242.9579 
1 1 1  -20   16   46 o  728.091  161.435   10.382   3.5839   12.603   4.2596   4.9994   6.6313  788.631  176.857  515.672  223.206 272.9582 284.7799 
1 1 1  -20   16   48 o  1909.25  108.571   64.341   6.4639   57.940   7.7906   78.483   11.580  1738.54  144.418  1876.27  200.195 -137.7312 246.8493 
1 1 1  -20   16   50 o  1388.06  118.142   35.792   5.0860   31.825   6.0265   45.610   9.4811  1233.80  159.744  1287.48  244.114 -53.68127 291.7356 
1 1 1  -20   16   52 o  1865.92  117.165   66.813   6.8108   54.659   8.2310   93.206   12.129  1527.35  175.280  1859.97  212.052 -332.6179 275.1169 
1 1 1  -20   17    1 o  771.489  170.333   9.8932   4.0047   8.8085   5.3410   11.286   6.0526  730.274  217.404  819.359  227.717 -89.08563 314.8324 
1 1 1  -20   17    3 o  1232.28  101.161   24.128   3.8689   24.214   4.5962   23.916   7.1666  1230.71  120.828  1203.06  197.071 27.65149 231.1627 
1 1 1  -20   17    5 o  918.338  115.491   13.550   3.2475   15.890   3.8242   7.4957   6.1499  993.496  125.746  696.745  236.363 296.7515 267.7304 
1 1 1  -20   17    7 o  597.724  146.518   5.9150   2.7210   3.7035   3.1836   11.910   5.2416  498.917  170.058  842.005  201.497 -343.0888 263.6683 
1 1 1  -20   17    9 o  521.446  152.764   4.4206   2.6548   6.1297   3.1041  -0.2343   5.1229  608.296  160.601  457.313  197.066 150.9824 254.2201 
1 1 1  -20   17   11 o  934.786  113.186   14.026   3.2455   17.213   3.8851   6.6642   5.9042  1035.04  122.235  666.039  231.396 368.9985 261.6973 
1 1 1  -20   17   13 o  541.570  151.500   4.8192   2.6699   6.9598   3.1645  -0.4682   4.9734  647.078  157.637  445.214  193.005 201.8637 249.1995 
1 1 1  -20   17   15 o  908.821  136.339   13.426   3.7602   13.426   3.7602   0.0000   0.0000  908.821  136.339  ?   ?  0.000000 136.3385 
1 1 1  -20   17   17 o  1153.88  102.800   21.217   3.6753   21.846   4.4446   19.856   6.5361  1166.54  123.560  1090.56  198.725 75.97607 234.0054 
1 1 1  -20   17   19 o  1360.08   99.534   29.402   4.2095   30.757   5.1480   26.669   7.3124  1386.68  119.737  1269.88  189.714 116.7965 224.3401 
1 1 1  -20   17   21 o  2494.09  101.585   98.473   7.9334   97.432   9.6668  100.620   13.885  2470.77  125.360  2486.47  179.541 -15.69629 218.9754 
1 1 1  -20   17   23 o  708.489  168.098   8.4258   3.6730   7.4206   5.0222   9.5819   5.3857  672.647  212.827  752.298  216.783 -79.65100 303.7927 
1 1 1  -20   17   25 o  1588.39   98.088   40.118   4.8546   39.740   5.9268   40.890   8.4627  1574.52  121.144  1578.17  174.153 -3.650879 212.1441 
1 1 1  -20   17   27 o  3305.50  115.044  174.094   11.907  180.044   14.574  162.145   20.652  3348.14  139.010  3119.18  212.721 228.9570 254.1144 
1 1 1  -20   17   29 o  1972.90   98.032   61.783   6.0561   59.930   7.4246   65.468   10.468  1931.73  123.392  1997.97  168.911 -66.24536 209.1803 
1 1 1  -20   17   31 o  3719.83  123.410  221.830   14.374  221.031   17.614  223.422   24.871  3690.49  152.427  3637.21  219.405 53.28247 267.1566 
1 1 1  -20   17   33 o  1377.22  101.812   30.404   4.3594   28.300   5.3017   34.797   7.6602  1318.74  130.087  1443.94  172.859 -125.2020 216.3396 
1 1 1  -20   17   35 o  814.075  173.795   11.414   4.2953   6.8721   6.0905   15.909   6.0587  652.811  234.282  948.319  209.613 -295.5073 314.3660 
1 1 1  -20   17   37 o  1853.56  123.478   56.306   7.1256   58.831   9.9438   53.641   10.216  1855.92  173.108  1758.31  188.491 97.61304 255.9202 
1 1 1  -20   17   39 o  634.704  198.191   7.3720   4.3696   9.3917   5.9186   4.9522   6.4784  701.723  231.787  582.978  233.555 118.7455 329.0486 
1 1 1  -20   17   41 o  931.052  175.460   15.889   4.9276   7.4966   6.7224   25.635   7.2443  629.032  242.088  1156.90  207.608 -527.8717 318.9163 
1 1 1  -20   17   43 o  725.402  167.643   9.9193   3.7315   9.6055   4.5516   10.563   6.5166  689.800  199.439  688.699  242.849 1.100281 314.2480 
1 1 1  -20   17   45 o  387.210  163.171   1.5548   3.3774   5.7356   3.8825 -11.4487   6.8472  534.753  187.539  336.758  167.355 197.9945 251.3534 
1 1 1  -20   17   47 o  1274.51  120.557   28.996   4.7541   23.196   5.6356   43.306   8.8528  1073.62  173.560  1408.78  206.848 -335.1628 270.0170 
1 1 1  -20   17   49 o  1039.53  142.900   20.948   4.5284   5.4116   5.2777   64.306   8.8169  485.879  204.321  1784.24  159.495 -1298.358 259.2020 
1 1 1  -20   17   51 o  2254.56  150.908  105.145   10.592   84.229   14.766  127.315   15.202  1471.39  328.771  2182.75  225.686 -711.3583 398.7787 
1 1 1  -20   18    2 o  507.109  207.903   1.5995   5.2720   1.5995   5.2720   0.0000   0.0000  507.109  207.903  ?   ?  0.000000 207.9029 
1 1 1  -20   18    4 o  331.289  141.773  -0.0753   2.6176   0.5208   2.9718  -2.1383   5.5287  371.055  154.479  438.742  196.221 -67.68738 249.7328 
1 1 1  -20   18    6 o  561.813  154.674   5.1867   2.8071   6.0327   3.2015   2.3736   5.8379  604.748  164.643  547.095  220.814 57.65344 275.4380 
1 1 1  -20   18    8 o  635.698  152.369   6.6913   2.9934   8.2366   3.4091   1.4888   6.2552  705.143  158.284  541.366  224.645 163.7772 274.8076 
1 1 1  -20   18   10 o  736.276  137.192   8.8782   3.0465   10.868   3.5617   3.4522   5.8810  814.930  144.888  575.347  225.029 239.5827 267.6386 
1 1 1  -20   18   12 o  538.951  155.936   4.7371   2.7816   5.3885   3.2487   2.9480   5.3843  574.958  169.147  545.374  214.708 29.58392 273.3313 
1 1 1  -20   18   14 o  644.708  150.346   6.8889   2.9793   7.3541   3.4136   5.4015   6.1034  665.011  164.777  633.634  233.482 31.37762 285.7708 
1 1 1  -20   18   16 o  1509.81  100.954   36.162   4.7452   42.192   5.6986   22.528   8.5693  1628.91  112.415  1150.11  245.429 478.7920 269.9495 
1 1 1  -20   18   18 o  395.055  155.544   1.4678   2.8261   0.0714   3.2982   5.3246   5.4813  374.919  159.758  614.903  222.064 -239.9845 273.5599 
1 1 1  -20   18   20 o  3424.47  143.754  187.285   15.415  187.285   15.415   0.0000   0.0000  3424.47  143.754  ?   ?  0.000000 143.7544 
1 1 1  -20   18   22 f  320.231  147.652  -2.5765   3.4389  -4.0439   4.4409  -0.3784   5.4352  350.802  163.798  465.982  201.887 -115.1798 259.9767 
1 1 1  -20   18   24 o  1362.07  106.527   29.580   4.5072   33.961   5.3701   19.139   8.2907  1456.95  118.744  1049.32  254.860 407.6249 281.1652 
1 1 1  -20   18   26 f  1945.09  100.567   60.091   6.1041   56.276   7.3972   68.231   10.807  1874.26  126.790  2046.76  170.160 -172.4949 212.2033 
1 1 1  -20   18   28 o  2266.04  101.406   81.441   7.1953   81.579   8.7209   81.149   12.734  2257.65  123.836  2222.49  184.658 35.15918 222.3375 
1 1 1  -20   18   30 o  4010.25  125.456  257.408   15.754  232.139   19.233  308.919   27.461  3780.47  162.477  4317.42  203.128 -536.9490 260.1147 
1 1 1  -20   18   32 o  1542.47  129.277   38.527   6.1863   47.064   8.7864   30.135   8.7117  1687.24  168.564  1322.82  217.910 364.4193 275.4971 
1 1 1  -20   18   34 f  436.197  180.815   1.2215   4.0464  -2.2543   5.5150   5.2743   5.9552  424.892  192.477  606.977  229.223 -182.0851 299.3171 
1 1 1  -20   18   36 o  1963.75  129.374   63.304   7.9106   69.693   11.027   56.531   11.354  2022.26  175.900  1793.76  205.884 228.5033 270.7937 
1 1 1  -20   18   38 o  379.682  168.361  -0.5891   3.9814  -3.1848   5.6936   1.8946   5.5695  406.348  188.277  494.546  209.030 -88.19836 281.3215 
1 1 1  -20   18   40 o  1393.91  141.859   33.333   6.1054   33.904   8.3898   32.690   8.9016  1345.52  205.664  1298.36  227.233 47.15649 306.4839 
1 1 1  -20   18   42 o  640.295  203.378   8.0910   4.5828   10.075   6.3205   5.8915   6.6543  689.649  239.427  580.535  235.244 109.1146 335.6562 
1 1 1  -20   18   44 o  1816.32  137.924   58.335   7.7856   55.524   10.729   61.462   11.316  1651.26  212.426  1737.49  212.414 -86.22717 300.4072 
1 1 1  -20   18   46 o  1366.58  153.252   34.940   6.4448   36.220   8.6548   33.347   9.6559  1284.98  223.200  1145.52  273.060 139.4650 352.6757 
1 1 1  -20   18   48 o  762.836  181.678   12.345   4.2775   12.563   4.9856   11.735   8.3266  734.800  207.547  615.624  257.630 119.1763 330.8308 
1 1 1  -20   18   50 o  464.735  186.299   4.8520   4.1248   5.1952   4.7731   3.8394   8.1977  473.082  196.266  463.862  218.471 9.220703 293.6831 
1 1 1  -20   19    1 o  1339.90  125.455   28.655   5.2023   27.834   6.8574   29.769   7.9848  1309.64  171.329  1348.51  194.743 -38.87280 259.3804 
1 1 1  -20   19    3 o  775.306  243.526   9.7621   6.5865   0.0000   0.0000   9.7621   6.5865  ?   ?   775.306  243.526 0.000000 243.5260 
1 1 1  -20   19    5 o  754.364  203.877   9.4751   4.9304   9.4751   4.9304   0.0000   0.0000  754.364  203.877  ?   ?  0.000000 203.8766 
1 1 1  -20   19    7 o  910.113  153.318   13.525   4.2139   12.849   5.3279   14.654   6.8863  877.207  198.594  931.767  235.821 -54.55988 308.3039 
1 1 1  -20   19    9 o  1128.95  113.127   20.333   3.9453   20.375   4.5479   20.204   7.9311  1126.50  131.401  1094.38  238.208 32.11841 272.0467 
1 1 1  -20   19   11 o  771.179  144.791   9.7501   3.3679   9.9421   3.9314   9.2208   6.5288  774.702  166.987  756.955  242.996 17.74652 294.8419 
1 1 1  -20   19   13 o  1702.51   99.823   45.876   5.2983   44.372   6.2833   49.577   9.8563  1670.02  120.976  1748.72  182.698 -78.70007 219.1206 
1 1 1  -20   19   15 o  516.255  170.860   4.0827   3.2155   4.7788   3.7009   1.9390   6.4946  556.171  183.267  559.399  230.210 -3.228638 294.2509 
1 1 1  -20   19   17 o  278.242  133.033  -4.4156   3.2713  -7.3334   4.2677  -0.2587   5.0938  297.200  144.493  455.636  196.424 -158.4360 243.8453 
1 1 1  -20   19   19 o  1148.78  151.643   21.412   5.3214   20.575   7.2900   22.367   7.7857  1106.47  218.167  1153.02  223.717 -46.54968 312.4836 
1 1 1  -20   19   21 o  1040.25  240.057   18.478   7.6604   0.0000   0.0000   18.478   7.6604  ?   ?   1040.25  240.057 0.000000 240.0567 
1 1 1  -20   19   23 o  577.383  218.235   4.1534   5.4009   4.1534   5.4009   0.0000   0.0000  577.383  218.235  ?   ?  0.000000 218.2351 
1 1 1  -20   19   25 f  1049.59  165.203   18.123   5.2499   16.410   7.1585   20.118   7.7227  977.529  236.448  1084.60  234.248 -107.0687 332.8361 
1 1 1  -20   19   27 o  1121.34  150.520   20.525   5.1516   21.149   6.8719   19.726   7.7841  1120.94  203.268  1069.45  238.522 51.49182 313.3852 
1 1 1  -20   19   29 o  650.000  199.370   7.0207   4.4443   5.4856   5.7708   9.2583   6.9672  620.492  227.273  750.407  251.594 -129.9149 339.0468 
1 1 1  -20   19   31 o  2359.90  129.400   89.736   9.5254   87.340   13.185   92.352   13.776  2294.56  185.086  2357.61  188.183 -63.04688 263.9500 
1 1 1  -20   19   33 o  850.468  194.426   12.595   5.0648   11.871   6.8604   13.462   7.5088  813.085  247.381  860.013  258.172 -46.92847 357.5614 
1 1 1  -20   19   35 o  1374.61  139.992   31.320   5.9415   32.189   8.0144   30.258   8.8533  1361.15  193.486  1296.47  226.319 64.68030 297.7531 
1 1 1  -20   19   37 f  2354.18  134.111   91.990   9.8451  101.816   13.743   81.633   14.110  2419.75  182.735  2126.00  214.908 293.7458 282.0947 
1 1 1  -20   19   39 o  1441.36  143.626   35.417   6.3959   34.605   8.7294   36.359   9.3978  1364.12  211.194  1385.29  224.325 -21.16345 308.0989 
1 1 1  -20   19   41 o  1130.38  167.635   22.966   5.7536   19.286   7.7760   27.420   8.5531  952.045  255.508  1159.34  243.365 -207.2985 352.8612 
1 1 1  -20   19   43 o  392.967  177.479  -0.5906   4.6484   2.3787   5.8498  -5.6774   7.6565  486.352  210.079  421.329  201.997 65.02261 291.4375 
1 1 1  -20   19   45 o  424.114  184.607   1.4413   4.5871   3.3623   6.2282  -0.8361   6.7813  499.336  216.226  442.822  205.282 56.51352 298.1516 
1 1 1  -20   19   47 o  2099.56  143.477   81.259   9.3760   77.508   12.883   85.483   13.671  1860.64  225.749  1946.49  228.665 -85.85718 321.3259 
1 1 1  -20   19   49 o  945.635  211.628   20.801   6.1099   15.286   7.7554   29.825   9.9204  689.683  261.312  936.004  299.435 -246.3204 397.4237 
1 1 1  -20   20    2 o  1004.85  133.019   16.253   4.0825   17.199   4.6934   13.311   8.2752  1030.59  149.827  896.050  271.488 134.5383 310.0868 
1 1 1  -20   20    4 o  570.182  172.356   5.2282   3.3381   2.1652   3.7787   16.112   7.1231  463.790  180.660  978.661  235.335 -514.8709 296.6824 
1 1 1  -20   20    6 o  851.569  164.379   11.923   4.2244   12.142   5.2188   11.507   7.1941  853.446  198.960  835.683  253.119 17.76288 321.9539 
1 1 1  -20   20    8 f  366.239  164.531  -1.7994   3.9336  -1.7994   3.9336   0.0000   0.0000  366.239  164.531  ?   ?  0.000000 164.5311 
1 1 1  -20   20   14 o  807.826  254.210   10.641   7.1734   0.0000   0.0000   10.641   7.1734  ?   ?   807.826  254.210 0.000000 254.2100 
1 1 1  -20   20   16 o  1134.08  149.324   20.796   5.1737   21.648   6.8286   19.647   7.9271  1144.79  197.641  1078.02  240.905 66.77112 311.6038 
1 1 1  -20   20   18 o  979.024  168.812   15.737   4.9881   19.180   6.7557   11.610   7.3964  1072.40  208.695  837.164  257.270 235.2309 331.2719 
1 1 1  -20   20   22 o  2125.38  128.517   71.976   8.5127   71.674   11.976   72.285   12.103  2102.01  183.796  2110.54  185.003 -8.524902 260.7817 
1 1 1  -20   20   24 o  1720.05  189.572   48.406   10.041   48.406   10.041   0.0000   0.0000  1720.05  189.572  ?   ?  0.000000 189.5716 
1 1 1  -20   20   26 o  1034.43  166.365   17.641   5.2060   22.073   7.0311   12.263   7.7453  1147.33  203.148  850.052  263.608 297.2801 332.8032 
1 1 1  -20   20   28 o  1866.78  198.257   57.798   11.411   0.0000   0.0000   57.798   11.411  ?   ?   1866.78  198.257 0.000000 198.2567 
1 1 1  -20   20   30 o  1118.45  168.675   20.836   5.7236   22.363   7.8058   19.060   8.4175  1133.90  227.758  1031.47  260.543 102.4313 346.0586 
1 1 1  -20   20   32 o  3081.50  142.752  154.509   13.774  168.530   19.386  140.213   19.575  3160.13  196.888  2855.38  220.646 304.7458 295.7191 
1 1 1  -20   20   34 o  1528.29  141.355   38.591   6.6878   37.065   8.8009   40.677   10.288  1462.67  197.187  1513.21  223.893 -50.54883 298.3468 
1 1 1  -20   20   36 o  1993.72  135.308   65.818   8.3971   62.577   11.616   69.365   12.153  1885.15  199.829  1987.46  197.915 -102.3052 281.2503 
1 1 1  -20   20   38 o  1460.98  145.693   36.183   6.5761   37.269   8.5576   34.618   10.277  1442.05  194.478  1330.96  255.882 111.0958 321.3991 
1 1 1  -20   20   40 o  485.989  201.214   2.5774   5.0023   0.5608   6.3082   5.9937   8.2106  481.244  212.730  622.308  257.732 -141.0636 334.1856 
1 1 1  -20   20   42 o  705.319  219.475   10.051   5.3638   8.0196   7.0685   12.808   8.2358  638.990  247.591  753.190  272.171 -114.2004 367.9383 
1 1 1  -20   20   44 o  486.218  206.817   2.8716   5.5097   6.5988   7.0662  -2.9088   8.7999  588.364  240.895  474.715  224.421 113.6493 329.2335 
1 1 1  -20   20   46 f  1115.11  188.695   24.752   6.3536   17.926   8.3274   34.262   9.8288  818.528  275.057  1186.06  270.629 -367.5374 385.8708 
1 1 1  -20   20   48 o  388.837  180.820  -0.8250   5.3249  -3.8318   6.5035   5.2905   9.2748  382.821  184.209  530.024  243.682 -147.2026 305.4727 
1 1 1  -20   21    1 o  929.287  155.259   14.059   4.3584   17.218   4.9317   2.7939   9.3136  1030.05  157.942  669.662  275.646 360.3906 317.6890 
1 1 1  -20   21    3 o  1021.15  209.090   17.303   6.4606   20.754   8.6341   12.914   9.7386  1110.41  253.855  900.617  297.314 209.7882 390.9449 
1 1 1  -20   21    5 o  715.334  231.269   8.0636   5.9059   4.5913   7.8786   12.518   8.9231  665.469  260.407  881.678  284.188 -216.2097 385.4543 
1 1 1  -20   21    7 o  600.211  221.019   4.6845   5.4679   0.1524   7.2677   10.596   8.3003  553.956  236.625  822.982  274.616 -269.0251 362.4990 
1 1 1  -20   21    9 o  312.637  150.918  -6.9495   4.4524   0.6091   5.4497 -22.1213   7.7210  492.562  207.403  336.647  168.860 155.9148 267.4507 
1 1 1  -20   21   11 o  421.567  186.978  -1.5842   4.9134  -8.0699   6.4233   7.5631   7.6283  395.360  188.302  730.846  262.207 -335.4860 322.8156 
1 1 1  -20   21   15 f  822.068  280.219   10.464   8.6441   0.0000   0.0000   10.464   8.6441  ?   ?   822.068  280.219 0.000000 280.2188 
1 1 1  -20   21   17 o  978.868  275.069   16.245   8.7807   0.0000   0.0000   16.245   8.7807  ?   ?   978.868  275.069 0.000000 275.0694 
1 1 1  -20   21   23 o  489.889  222.768  -3.9340   7.4756   0.0000   0.0000  -3.9340   7.4756  ?   ?   489.889  222.768 0.000000 222.7683 
1 1 1  -20   21   25 o  722.989  210.539   8.7617   5.0561   10.746   6.3892   5.4376   8.2702  797.459  237.866  683.081  266.938 114.3781 357.5416 
1 1 1  -20   21   27 f  2480.32  135.411   98.822   10.477   96.364   14.545  101.472   15.104  2417.52  193.771  2479.60  196.133 -62.08765 275.7094 
1 1 1  -20   21   29 o  2228.95  186.543   82.397   12.900   82.397   12.900   0.0000   0.0000  2228.95  186.543  ?   ?  0.000000 186.5431 
1 1 1  -20   21   31 o  1468.40  154.594   35.587   7.0013   37.787   9.3464   32.774   10.569  1485.07  206.587  1348.98  259.628 136.0978 331.7904 
1 1 1  -20   21   33 f  778.124  218.788   10.833   5.5534   9.3813   7.1060   13.110   8.9011  734.369  253.930  841.914  284.366 -107.5445 381.2408 
1 1 1  -20   21   35 o  482.863  202.579   1.5853   5.1685   4.1162   6.7234  -2.0711   8.0812  585.633  236.758  513.246  232.704 72.38666 331.9720 
1 1 1  -20   21   37 o  1617.51  207.775   46.957   10.280   46.957   10.280   0.0000   0.0000  1617.51  207.775  ?   ?  0.000000 207.7750 
1 1 1  -20   21   39 f  420.515  189.730  -1.2162   5.2968  -4.2915   6.6009   4.3448   8.8762  422.556  198.072  613.004  261.666 -190.4481 328.1799 
1 1 1  -20   21   41 o  964.160  204.396   17.637   5.9792   23.817   7.4372   6.3425   10.054  1107.90  222.116  646.104  277.211 461.7989 355.2204 
1 1 1  -20   21   43 o  450.491  199.900   0.5630   5.6224  -0.2021   7.0144   1.9378   9.4030  476.000  216.196  555.191  251.431 -79.19080 331.5994 
1 1 1  -20   21   45 o  478.520  209.635   2.1388   6.0002   14.037   7.6102 -17.4091   9.7546  760.482  262.794  386.388  193.221 374.0934 326.1832 
1 1 1  -20   22    2 o  797.750  268.098   9.8313   7.9114   17.482   10.202  -1.7086   12.530  1020.96  299.581  693.073  303.300 327.8837 426.3092 
1 1 1  -20   22    4 o  638.023  252.503   3.8448   7.4832   1.9333   9.7672   6.5616   11.644  668.217  279.281  798.802  315.342 -130.5846 421.2346 
1 1 1  -20   22    6 o  866.745  257.784   12.382   7.5121   6.2634   10.026   20.213   11.343  756.133  294.348  1092.98  314.498 -336.8436 430.7548 
1 1 1  -20   22    8 o  488.124  227.318  -7.3744   8.4643  -7.3744   8.4643   0.0000   0.0000  488.124  227.318  ?   ?  0.000000 227.3183 
1 1 1  -20   22   10 o  864.006  236.048   12.445   6.5672   13.939   8.6899   10.456   10.028  918.370  278.196  845.792  300.932 72.57739 409.8211 
1 1 1  -20   22   12 o  1604.97  220.393   42.172   10.784   42.172   10.784   0.0000   0.0000  1604.97  220.393  ?   ?  0.000000 220.3933 
1 1 1  -20   22   14 o  526.939  206.752   2.7193   4.9769   1.4477   6.2448   4.9330   8.2395  542.069  224.658  681.701  266.431 -139.6314 348.5064 
1 1 1  -20   22   16 o  615.431  235.720   4.3714   6.3539   4.3714   6.3539   0.0000   0.0000  615.431  235.720  ?   ?  0.000000 235.7198 
1 1 1  -20   22   20 o  1452.19  235.376   35.239   10.337   0.0000   0.0000   35.239   10.337  ?   ?   1452.19  235.376 0.000000 235.3758 
1 1 1  -20   22   22 o  1311.20  264.936   29.519   10.503   0.0000   0.0000   29.519   10.503  ?   ?   1311.20  264.936 0.000000 264.9363 
1 1 1  -20   22   26 o  535.740  220.378   2.0217   5.9485   0.0000   0.0000   2.0217   5.9485  ?   ?   535.740  220.378 0.000000 220.3782 
1 1 1  -20   22   28 o  657.015  255.028   5.4987   7.5098   0.0000   0.0000   5.4987   7.5098  ?   ?   657.015  255.028 0.000000 255.0279 
1 1 1  -20   22   32 o  637.070  264.231   3.8797   8.6480   0.0000   0.0000   3.8797   8.6480  ?   ?   637.070  264.231 0.000000 264.2312 
1 1 1  -20   22   34 o  761.919  266.607   10.359   7.8444   10.359   7.8444   0.0000   0.0000  761.919  266.607  ?   ?  0.000000 266.6067 
1 1 1  -20   22   36 o  781.710  231.818   11.343   6.0815   12.732   7.7190   9.0712   9.8747  815.942  264.458  738.090  290.707 77.85236 392.9996 
1 1 1  -20   22   38 o  1513.08  165.245   39.385   7.7017   40.147   10.099   38.325   11.907  1473.71  226.065  1379.07  285.151 94.64453 363.8906 
1 1 1  -20   22   40 o  706.931  229.804   9.6280   5.8264   13.069   7.0350   2.1136   10.396  804.368  251.524  603.634  269.586 200.7339 368.7014 
1 1 1  -20   22   42 o  696.901  263.989   9.9399   7.9140   9.9399   7.9140   0.0000   0.0000  696.901  263.989  ?   ?  0.000000 263.9894 
1 1 1  -20   22   44 o  714.660  265.362   11.621   7.9129   11.621   7.9129   0.0000   0.0000  714.660  265.362  ?   ?  0.000000 265.3620 
1 1 1  -20   23    3 o  906.218  318.371   12.388   11.192   12.388   11.192   0.0000   0.0000  906.218  318.371  ?   ?  0.000000 318.3715 
1 1 1  -20   23    9 o  1218.31  274.623   25.135   10.226   25.135   10.226   0.0000   0.0000  1218.31  274.623  ?   ?  0.000000 274.6230 
1 1 1  -20   23   11 o  780.079  278.525   8.7780   8.5975   8.7780   8.5975   0.0000   0.0000  780.079  278.525  ?   ?  0.000000 278.5250 
1 1 1  -20   23   13 o  459.545  202.869  -1.5224   5.7184  -2.3681   7.4537  -0.3126   8.9150  516.277  229.577  601.573  259.596 -85.29620 346.5484 
1 1 1  -20   23   15 o  601.328  223.792   4.6194   5.6343   5.0946   7.6974   4.0711   8.2694  669.443  258.655  662.184  264.368 7.259033 369.8550 
1 1 1  -20   23   17 o  570.285  222.421   3.4268   5.7332   9.3945   7.4328  -5.3392   9.0084  773.287  259.862  529.921  242.348 243.3653 355.3318 
1 1 1  -20   23   19 o  998.810  205.975   16.720   6.2279   30.532   8.2654  -1.4218   9.4728  1360.80  199.940  598.038  262.664 762.7626 330.1035 
1 1 1  -20   23   21 o  1480.30  154.530   35.438   7.0572   24.425   8.9935   53.085   11.385  1195.03  248.448  1795.09  206.291 -600.0593 322.9273 
1 1 1  -20   23   23 o  813.459  202.399   11.226   5.1345   3.1937   7.9193   17.051   6.7440  625.665  255.462  999.665  221.298 -373.9998 337.9849 
1 1 1  -20   23   25 o  507.663  202.590   2.4256   4.8542   3.8227   7.2672   1.3000   6.5228  617.705  247.401  540.139  227.143 77.56586 335.8590 
1 1 1  -20   23   27 o  491.085  200.925   1.7915   4.9116   2.8276   7.4252   0.9855   6.5490  597.438  246.042  532.018  225.867 65.41943 333.9948 
1 1 1  -20   23   37 o  958.076  320.407   19.343   11.299   0.0000   0.0000   19.343   11.299  ?   ?   958.076  320.407 0.000000 320.4074 
1 1 1  -20   23   39 o  698.919  293.363   7.2550   10.847   0.0000   0.0000   7.2550   10.847  ?   ?   698.919  293.363 0.000000 293.3629 
1 1 1  -20   24    2 o  589.879  244.957   1.7386   7.4454   4.1195   10.650  -0.5371   10.413  727.618  296.576  645.062  279.454 82.55597 407.4941 
1 1 1  -20   24    4 o  789.175  264.021   9.7286   7.6722   9.4428   10.948   10.004   10.755  836.956  311.864  845.320  310.167 -8.364014 439.8443 
1 1 1  -20   24    6 o  678.754  255.464   5.7624   7.3824   0.0001   10.603   11.184   10.285  659.151  283.779  863.886  305.037 -204.7350 416.6271 
1 1 1  -20   24    8 o  615.270  269.754  -1.5978   9.9523  -1.5978   9.9523   0.0000   0.0000  615.270  269.754  ?   ?  0.000000 269.7545 
1 1 1  -20   24   10 o  886.659  292.943   12.616   9.4537   12.616   9.4537   0.0000   0.0000  886.659  292.943  ?   ?  0.000000 292.9434 
1 1 1  -20   24   12 o  673.460  268.556   4.2742   8.5243   4.2742   8.5243   0.0000   0.0000  673.460  268.556  ?   ?  0.000000 268.5557 
1 1 1  -20   24   14 o  1368.26  259.317   31.628   10.703   31.628   10.703   0.0000   0.0000  1368.26  259.317  ?   ?  0.000000 259.3169 
1 1 1  -20   24   16 o  686.612  274.710   4.4885   8.9498   4.4885   8.9498   0.0000   0.0000  686.612  274.710  ?   ?  0.000000 274.7101 
1 1 1  -20   24   18 o  704.009  232.323   7.8579   5.9466   4.1583   8.2506   11.857   8.5784  659.559  263.806  851.177  278.948 -191.6183 383.9342 
1 1 1  -20   24   20 o  1060.69  211.740   18.942   6.7862   21.916   9.1112   15.237   10.170  1126.08  263.135  946.816  303.208 179.2691 401.4663 
1 1 1  -20   24   22 o  389.758  181.524  -4.6193   5.3991  -4.9891   7.2899  -4.1701   8.0353  466.121  214.938  505.697  230.343 -39.57645 315.0494 
1 1 1  -20   24   24 o  1167.73  176.580   22.565   6.2549   15.948   8.9790   28.803   8.7184  953.590  281.395  1304.31  221.387 -350.7202 358.0443 
1 1 1  -20   24   26 o  895.092  276.221   14.013   8.5161   14.013   8.5161   0.0000   0.0000  895.092  276.221  ?   ?  0.000000 276.2206 
1 1 1  -20   24   28 f  462.244  200.385  -0.1984   5.3609   6.9345   10.418  -2.7672   6.2521  746.742  297.171  452.296  204.910 294.4456 360.9692 
1 1 1  -20   24   30 o  744.678  225.966   9.5943   5.7296   11.926   8.5805   7.7177   7.6971  827.583  279.200  710.067  262.102 117.5165 382.9495 
1 1 1  -20   24   32 o  411.799  186.756  -2.3070   5.2091   0.6342   7.8409  -4.6307   6.9694  559.737  242.495  449.137  208.174 110.6002 319.5943 
1 1 1  -20   24   34 f  603.636  249.844   3.4595   7.7088   3.4595   7.7088   0.0000   0.0000  603.636  249.844  ?   ?  0.000000 249.8436 
1 1 1  -20   24   36 o  945.212  218.062   16.166   6.3225   20.337   9.4047   12.726   8.5405  1020.31  283.958  822.480  278.543 197.8301 397.7664 
1 1 1  -20   25    1 o  468.194  217.959  -6.6451   7.7706  -7.7688   11.712  -5.7615   10.386  592.784  273.015  573.166  261.384 19.61792 377.9672 
1 1 1  -20   25    3 o  724.301  262.876   7.3250   7.6950   0.9407   10.920   13.621   10.845  681.469  290.547  925.392  313.877 -243.9227 427.7103 
1 1 1  -20   25    5 o  959.263  320.072   14.897   11.276   0.0000   0.0000   14.897   11.276  ?   ?   959.263  320.072 0.000000 320.0718 
1 1 1  -20   25    7 o  772.842  261.584   9.2527   7.5322   7.2914   10.474   11.353   10.839  782.208  301.864  874.117  312.669 -91.90906 434.6081 
1 1 1  -20   25    9 o  677.779  280.404   2.8054   9.7036   2.8054   9.7036   0.0000   0.0000  677.779  280.404  ?   ?  0.000000 280.4040 
1 1 1  -20   25   11 o  1139.55  222.055   21.698   7.6386   22.869   10.459   20.359   11.183  1152.93  289.979  1087.86  312.062 65.06787 425.9930 
1 1 1  -20   25   13 o  358.386  174.672 -11.1998   6.3444 -16.9320   8.6561  -4.5460   9.3260  404.131  198.440  551.454  250.010 -147.3237 319.1913 
1 1 1  -20   25   17 o  691.819  274.250   4.9435   8.8414   4.9435   8.8414   0.0000   0.0000  691.819  274.250  ?   ?  0.000000 274.2502 
1 1 1  -20   25   19 o  422.545  203.258 -11.1138   7.9024 -11.1138   7.9024   0.0000   0.0000  422.545  203.258  ?   ?  0.000000 203.2581 
1 1 1  -20   25   21 o  1218.01  271.728   25.764   10.100   25.764   10.100   0.0000   0.0000  1218.01  271.728  ?   ?  0.000000 271.7283 
1 1 1  -20   25   23 o  926.664  299.713   14.707   9.9182   14.707   9.9182   0.0000   0.0000  926.664  299.713  ?   ?  0.000000 299.7131 
1 1 1  -20   25   25 o  1299.91  184.663   28.013   7.3051   32.244   9.8296   22.792   10.918  1373.57  237.114  1125.50  303.050 248.0695 384.7888 
1 1 1  -20   25   27 o  1040.30  239.199   18.873   7.6289   31.492   12.019   10.359   9.8726  1320.62  297.768  813.422  297.369 507.2031 420.8253 
1 1 1  -20   25   29 o  635.087  240.841   5.4562   6.5916 -17.3659   11.427   16.838   8.0696  484.706  235.834  971.280  260.125 -486.5742 351.1169 
1 1 1  -20   25   31 o  810.232  304.768   10.431   10.504   10.431   10.504   0.0000   0.0000  810.232  304.768  ?   ?  0.000000 304.7676 
1 1 1  -20   25   33 o  669.969  233.917   7.3338   6.0371   2.9234   9.0480   10.873   8.1050  632.041  266.746  789.642  271.297 -157.6013 380.4681 
1 1 1  -20   25   35 o  1093.40  198.151   20.817   6.5343   29.491   9.3674   12.596   9.1194  1276.68  243.208  829.832  287.621 446.8441 376.6645 
1 1 1  -20   25   37 o  1168.30  197.939   23.985   6.9825   32.304   10.308   16.933   9.4917  1311.90  260.130  926.108  292.538 385.7888 391.4661 
1 1 1  -20   26    2 o  326.613  164.571 -24.3868   7.7919 -31.8638   11.568 -18.1779   10.542  415.267  208.069  462.260  225.267 -46.99222 306.6561 
1 1 1  -20   26    4 o  938.851  314.896   14.156   10.914   0.0000   0.0000   14.156   10.914  ?   ?   938.851  314.896 0.000000 314.8958 
1 1 1  -20   26    6 o  618.734  255.697   2.2212   8.0563  -4.1411   11.540   8.2700   11.252  629.663  282.414  817.672  313.564 -188.0093 421.9956 
1 1 1  -20   26    8 o  892.109  320.302   11.822   11.385   11.822   11.385   0.0000   0.0000  892.109  320.302  ?   ?  0.000000 320.3018 
1 1 1  -20   26   10 o  745.701  267.343   8.0017   7.9287   21.110   11.118  -5.5623   11.310  1107.43  308.940  604.833  274.639 502.5995 413.3647 
1 1 1  -20   26   12 o  817.407  311.844   8.5147   11.093   0.0000   0.0000   8.5147   11.093  ?   ?   817.407  311.844 0.000000 311.8439 
1 1 1  -20   26   14 o  652.248  251.882   4.8706   7.2967   24.075   10.063 -16.4188   10.595  1184.58  276.361  476.114  230.575 708.4666 359.9174 
1 1 1  -20   26   16 o  784.206  302.466   7.5681   10.512   0.0000   0.0000   7.5681   10.512  ?   ?   784.206  302.466 0.000000 302.4665 
1 1 1  -20   26   18 o  640.460  272.045   1.2099   9.5090   1.2099   9.5090   0.0000   0.0000  640.460  272.045  ?   ?  0.000000 272.0451 
1 1 1  -20   26   20 o  1073.54  296.431   20.135   10.293   20.135   10.293   0.0000   0.0000  1073.54  296.431  ?   ?  0.000000 296.4308 
1 1 1  -20   26   22 o  654.506  272.370   2.6728   9.2328   2.6728   9.2328   0.0000   0.0000  654.506  272.370  ?   ?  0.000000 272.3695 
1 1 1  -20   26   24 o  911.604  295.188   14.176   9.6188   14.176   9.6188   0.0000   0.0000  911.604  295.188  ?   ?  0.000000 295.1878 
1 1 1  -20   26   26 o  574.285  268.284  -9.1026   11.938  -9.1026   11.938   0.0000   0.0000  574.285  268.284  ?   ?  0.000000 268.2838 
1 1 1  -20   26   28 o  1086.50  341.353   21.794   12.940   21.794   12.940   0.0000   0.0000  1086.50  341.353  ?   ?  0.000000 341.3534 
1 1 1  -20   26   30 o  881.868  333.896   12.414   12.657   12.414   12.657   0.0000   0.0000  881.868  333.896  ?   ?  0.000000 333.8958 
1 1 1  -20   26   32 o  468.363  216.720  -4.8794   7.5068 -12.8828   11.669   0.7710   9.8049  522.720  250.279  621.407  270.191 -98.68701 368.2971 
1 1 1  -20   27    1 o  477.307  223.190  -7.6283   8.2937   5.0664   13.508 -15.3091   10.507  810.718  332.632  483.443  232.995 327.2754 406.1164 
1 1 1  -20   27    3 o  611.630  262.145   0.1791   8.9743  -4.4012   15.858   2.3370   10.885  745.267  332.888  703.552  294.506 41.71472 444.4640 
1 1 1  -20   27    5 o  661.542  273.572   2.5813   9.2309  -4.1697   14.170   7.5583   12.167  704.573  314.695  823.788  323.250 -119.2144 451.1359 
1 1 1  -20   27    7 o  748.658  288.816   6.5572   9.5857   12.892   15.103   2.2846   12.404  968.593  365.224  742.266  312.744 226.3276 480.8303 
1 1 1  -20   27    9 o  1205.18  266.430   24.646   9.7870   23.494   14.978   25.504   12.929  1169.77  367.209  1212.51  331.172 -42.73242 494.4870 
1 1 1  -20   27   11 o  620.551  265.027   0.4942   9.1143   8.9617   13.151  -7.3325   12.643  866.219  337.134  625.795  286.530 240.4233 442.4462 
1 1 1  -20   27   13 o  703.450  274.111   5.4896   8.7015   7.7476   12.947   3.6294   11.751  840.003  332.228  744.784  308.385 95.21875 453.2954 
1 1 1  -20   27   15 o  610.823  274.723  -4.1913   11.003   0.0000   0.0000  -4.1913   11.003  ?   ?   610.823  274.723 0.000000 274.7234 
1 1 1  -20   27   17 o  583.854  248.084   0.7455   7.9125   5.7328   10.599  -5.5344   11.893  751.137  299.477  620.663  281.750 130.4742 411.1809 
1 1 1  -20   27   19 o  757.656  311.634   4.5021   11.893   0.0000   0.0000   4.5021   11.893  ?   ?   757.656  311.634 0.000000 311.6338 
1 1 1  -20   27   21 o  631.520  256.092   3.3326   7.8923   4.3247   11.147   2.3356   11.175  735.028  301.941  703.221  296.601 31.80664 423.2505 
1 1 1  -20   27   23 f  551.556  235.958   0.4027   7.2466   7.6574   9.9579  -7.7645   10.566  768.902  294.952  550.437  255.547 218.4650 390.2576 
1 1 1  -20   27   25 o  400.791  198.318 -19.9804   9.2290 -19.9804   9.2290   0.0000   0.0000  400.791  198.318  ?   ?  0.000000 198.3182 
1 1 1  -20   27   27 o  940.998  347.750   14.211   13.557   14.211   13.557   0.0000   0.0000  940.998  347.750  ?   ?  0.000000 347.7500 
1 1 1  -20   27   29 o  701.156  307.247   0.2298   12.896   0.2298   12.896   0.0000   0.0000  701.156  307.247  ?   ?  0.000000 307.2466 
1 1 1  -20   28    2 o  798.662  292.284   8.8249   9.5415  -6.8867   15.101   19.267   12.310  701.268  318.010  1070.56  332.388 -369.2881 460.0134 
1 1 1  -20   28    4 o  921.746  301.698   13.695   10.036   28.705   15.925   3.8071   12.925  1283.86  373.591  779.940  323.224 503.9204 494.0078 
1 1 1  -20   28    6 o  598.168  265.594  -2.8235   9.9399  -4.8386   16.959  -1.7691   12.268  769.136  343.850  683.050  299.484 86.08533 455.9865 
1 1 1  -20   28    8 o  554.885  252.704  -5.3926   9.6660 -14.9280   15.881   0.2189   12.182  648.784  305.109  707.470  304.382 -58.68591 430.9757 
1 1 1  -20   28   10 o  793.899  321.824   5.4292   12.459   0.0000   0.0000   5.4292   12.459  ?   ?   793.899  321.824 0.000000 321.8237 
1 1 1  -20   28   12 o  424.156  206.036 -14.3462   8.6269 -16.0968   12.908 -12.9329   11.598  553.980  264.699  539.648  255.860 14.33228 368.1442 
1 1 1  -20   28   14 o  645.445  287.223  -3.2112   11.688   0.0000   0.0000  -3.2112   11.688  ?   ?   645.445  287.223 0.000000 287.2231 
1 1 1  -20   28   16 o  850.316  326.318   9.1446   12.191   0.0000   0.0000   9.1446   12.191  ?   ?   850.316  326.318 0.000000 326.3176 
1 1 1  -20   28   18 o  935.393  340.575   13.078   12.931   13.078   12.931   0.0000   0.0000  935.393  340.575  ?   ?  0.000000 340.5747 
1 1 1  -20   28   20 o  489.424  225.795  -5.7189   8.0597  -9.5646   10.588  -0.4196   12.429  535.551  250.981  698.584  303.975 -163.0338 394.1983 
1 1 1  -20   28   22 o  556.878  243.734  -1.0761   8.0940  -2.3024   10.616   0.6262   12.508  620.169  274.963  712.657  307.514 -92.48822 412.5162 
1 1 1  -20   28   24 o  771.509  312.478   5.8294   11.735   5.8294   11.735   0.0000   0.0000  771.509  312.478  ?   ?  0.000000 312.4778 
1 1 1  -20   29    1 o  600.801  274.905  -7.0003   11.612   0.0000   0.0000  -7.0003   11.612  ?   ?   600.801  274.905 0.000000 274.9046 
1 1 1  -20   29    3 o  1386.35  314.785   32.901   13.353   0.0000   0.0000   32.901   13.353  ?   ?   1386.35  314.785 0.000000 314.7848 
1 1 1  -20   29    5 o  1335.49  322.611   30.649   13.340   0.0000   0.0000   30.649   13.340  ?   ?   1335.49  322.611 0.000000 322.6107 
1 1 1  -20   29    7 o  856.651  363.195   2.7874   16.897   2.7874   16.897   0.0000   0.0000  856.651  363.195  ?   ?  0.000000 363.1952 
1 1 1  -20   29    9 o  944.029  339.094   13.166   12.762   0.0000   0.0000   13.166   12.762  ?   ?   944.029  339.094 0.000000 339.0944 
1 1 1  -20   29   11 o  888.420  299.364   12.408   9.8645   0.4657   14.334   23.153   13.596  766.849  330.048  1163.06  347.011 -396.2073 478.9034 
1 1 1  -20   29   13 o  1116.35  342.542   21.185   13.118   0.0000   0.0000   21.185   13.118  ?   ?   1116.35  342.542 0.000000 342.5418 
1 1 1  -20   29   15 o  869.673  287.777   12.082   9.1219   21.641   12.968   2.7197   12.834  1124.31  339.673  759.250  318.915 365.0635 465.9232 
1 1 1  -20   29   17 o  904.707  356.351   9.4798   14.839   0.0000   0.0000   9.4798   14.839  ?   ?   904.707  356.351 0.000000 356.3512 
1 1 1  -20   29   19 o  603.571  263.173  -0.9605   9.3574   2.8772   12.935  -5.1734   13.553  760.636  319.869  673.346  303.677 87.29102 441.0618 
1 1 1  -19    0    1 o  280.545  144.180   1.8240   1.6142   1.8240   1.6142   1.8240   1.6142  280.545  144.180  280.545  144.180 -0.000000 0.000000 
1 1 1  -19    0    3 o  849.215  110.831   11.923   2.8082   11.923   2.8082   11.923   2.8082  849.215  110.831  849.215  110.831 -0.000000 0.000000 
1 1 1  -19    0    5 o  1285.77  103.481   26.524   4.1041   26.524   4.1041   26.524   4.1041  1285.77  103.481  1285.77  103.481 -0.000000 0.000000 
1 1 1  -19    0    7 o  1028.12  104.165   17.142   3.2745   17.142   3.2745   17.142   3.2745  1028.12  104.165  1028.12  104.165 -0.000000 0.000000 
1 1 1  -19    0    9 f  1169.45  103.249   22.025   3.7130   22.025   3.7130   22.025   3.7130  1169.45  103.249  1169.45  103.249 -0.000000 0.000000 
1 1 1  -19    0   11 o  1337.33  102.255   28.644   4.2244   28.644   4.2244   28.644   4.2244  1337.33  102.255  1337.33  102.255 -0.000000 0.000000 
1 1 1  -19    0   13 o  217.592  131.086   0.7418   1.6232   0.7418   1.6232   0.7418   1.6232  217.592  131.086  217.592  131.086 -0.000000 0.000000 
1 1 1  -19    0   15 o  687.888  144.185   8.3880   2.7356   8.3880   2.7356   8.3880   2.7356  687.888  144.185  687.888  144.185 -0.000000 0.000000 
1 1 1  -19    0   17 o  2142.73  113.305   73.099   7.5536   73.099   7.5536   73.099   7.5536  2142.73  113.305  2142.73  113.305 -0.000000 0.000000 
1 1 1  -19    0   19 o  140.176   97.411  -1.3328   1.5080  -1.3328   1.5080  -1.3328   1.5080  140.176   97.411  140.176   97.411 -0.000000 0.000000 
1 1 1  -19    0   21 o  619.666  145.950   6.9982   2.4599   6.9982   2.4599   6.9982   2.4599  619.666  145.950  619.666  145.950 -0.000000 0.000000 
1 1 1  -19    0   23 o  240.537  149.363   0.6507   2.2555   0.6507   2.2555   0.6507   2.2555  240.537  149.363  240.537  149.363 -0.000000 0.000000 
1 1 1  -19    0   25 o  2006.12  159.458   65.503   9.8710   65.503   9.8710   65.503   9.8710  2006.12  159.458  2006.12  159.458 -0.000000 0.000000 
1 1 1  -19    0   27 o  1232.64  153.643   25.332   5.6814   25.332   5.6814   25.332   5.6814  1232.64  153.643  1232.64  153.643 -0.000000 0.000000 
1 1 1  -19    0   29 o  1617.05  153.463   42.919   7.6096   42.919   7.6096   42.919   7.6096  1617.05  153.463  1617.05  153.463 -0.000000 0.000000 
1 1 1  -19    0   31 o  1095.68  111.938   19.615   3.7486   19.615   3.7486   19.615   3.7486  1095.68  111.938  1095.68  111.938 -0.000000 0.000000 
1 1 1  -19    0   33 o  2574.12  120.252  106.066   9.6443  106.066   9.6443  106.066   9.6443  2574.12  120.252  2574.12  120.252 -0.000000 0.000000 
1 1 1  -19    0   35 o  1567.92  154.633   40.534   7.4223   40.534   7.4223   40.534   7.4223  1567.92  154.633  1567.92  154.633 -0.000000 0.000000 
1 1 1  -19    0   37 o  1857.98  109.817   55.215   6.3378   55.215   6.3378   55.215   6.3378  1857.98  109.817  1857.98  109.817 -0.000000 0.000000 
1 1 1  -19    0   39 o  1018.24  120.940   17.101   3.7126   17.101   3.7126   17.101   3.7126  1018.24  120.940  1018.24  120.940 -0.000000 0.000000 
1 1 1  -19    0   41 o  402.806  187.727   3.8082   2.6344   3.8082   2.6344   3.8082   2.6344  402.806  187.727  402.806  187.727 -0.000000 0.000000 
1 1 1  -19    0   43 o  2609.03  124.358  108.757   10.107  108.757   10.107  108.757   10.107  2609.03  124.358  2609.03  124.358 -0.000000 0.000000 
1 1 1  -19    0   45 f  1124.85  179.648   21.760   5.8438   21.760   5.8438   21.760   5.8438  1124.85  179.648  1124.85  179.648 -0.000000 0.000000 
1 1 1  -19    0   47 o  5797.04  311.352  576.196   56.144  576.196   56.144  576.196   56.144  5797.04  311.352  5797.04  311.352 -0.000000 0.000000 
1 1 1  -19    0   49 o  4257.31  240.693  302.358   31.852  302.358   31.852  302.358   31.852  4257.31  240.693  4257.31  240.693 -0.000000 0.000000 
1 1 1  -19    0   51 o  1860.91  116.304   55.717   6.7163   55.717   6.7163   55.717   6.7163  1860.91  116.304  1860.91  116.304 -0.000000 0.000000 
1 1 1  -19    0   53 o  368.313  193.911   3.2836   2.9708   3.2836   2.9708   3.2836   2.9708  368.313  193.911  368.313  193.911 -0.000000 0.000000 
1 1 1  -19    0   55 o  173.618  122.916  -3.3239   2.7586  -3.3239   2.7586  -3.3239   2.7586  173.618  122.916  173.618  122.916 -0.000000 0.000000 
1 1 1  -19    0   57 o  271.512  170.965   0.8158   3.0647   0.8158   3.0647   0.8158   3.0647  271.512  170.965  271.512  170.965 -0.000000 0.000000 
1 1 1  -19    0   59 o  1218.53  128.171   24.840   4.7666   24.840   4.7666   24.840   4.7666  1218.53  128.171  1218.53  128.171 -0.000000 0.000000 
1 1 1  -19    0   61 o  2314.15  125.018   87.814   8.9986   87.814   8.9986   87.814   8.9986  2314.15  125.018  2314.15  125.018 -0.000000 0.000000 
1 1 1  -19    1    2 o  3535.20   99.192  197.811   10.980  204.794   15.536  190.843   15.521  3578.58  138.647  3451.92  143.593 126.6614 199.6044 
1 1 1  -19    1    4 o  2007.79   76.326   63.508   4.7985   62.844   6.7711   64.178   6.8012  1987.94  109.196  2009.17  108.509 -21.23438 153.9419 
1 1 1  -19    1    6 o  2540.21   83.377  101.770   6.6318  102.299   9.3764  101.241   9.3812  2537.49  118.009  2524.11  118.695 13.37720 167.3758 
1 1 1  -19    1    8 o  1568.07   72.202   38.713   3.5451   36.897   4.9867   40.569   5.0409  1522.56  105.244  1597.80  101.279 -75.23853 146.0606 
1 1 1  -19    1   10 o  1554.43   84.636   38.245   4.1040   32.267   7.1440   41.190   5.0138  1405.31  165.525  1609.96   99.952 -204.6514 193.3616 
1 1 1  -19    1   12 o  3169.76   93.461  158.970   9.2763  168.269   13.129  149.700   13.108  3245.71  129.183  3057.66  136.911 188.0493 188.2367 
1 1 1  -19    1   14 o  2165.53   78.555   74.028   5.3267   74.591   7.5576   73.473   7.5087  2161.82  112.032  2145.48  112.159 16.34180 158.5267 
1 1 1  -19    1   16 o  1016.11   77.343   16.402   2.4423   17.538   3.5216   15.349   3.3902  1043.63  109.389  974.633  113.195 69.00079 157.4142 
1 1 1  -19    1   18 o  480.595   99.900   3.8093   1.4543   2.5944   1.9793   5.2346   2.1439  408.055  134.005  560.208  125.350 -152.1533 183.4937 
1 1 1  -19    1   20 o  1076.28   75.671   18.424   2.5340   17.214   3.5940   19.620   3.5732  1030.11  113.298  1103.18  104.696 -73.07019 154.2649 
1 1 1  -19    1   22 o  232.444  100.766  -0.1591   1.3556  -0.3296   1.7182   0.1220   2.2064  256.311  112.236  307.102  130.758 -50.79153 172.3213 
1 1 1  -19    1   24 f  1206.80  103.479   23.533   3.8724   21.844   5.4810   25.216   5.4719  1139.42  157.864  1232.01  144.592 -92.59619 214.0751 
1 1 1  -19    1   26 o  2464.57  120.147   98.707   9.2719  100.236   13.098   97.171   13.127  2431.52  173.165  2390.21  176.643 41.30493 247.3639 
1 1 1  -19    1   28 o  3738.07  235.396  255.904   27.412   0.0000   0.0000  255.904   27.412  ?   ?   3738.07  235.396 0.000000 235.3961 
1 1 1  -19    1   30 o  2597.80  100.456  109.492   8.1714  100.727   14.080  113.943   10.034  2381.21  190.434  2628.41  121.918 -247.1995 226.1172 
1 1 1  -19    1   32 o  2288.91   93.880   85.103   6.7285   83.461   11.597   85.937   8.2613  2171.88  171.927  2275.73  116.322 -103.8567 207.5808 
1 1 1  -19    1   34 o  2311.93   95.531   87.240   6.9157   83.811   11.933   88.975   8.4862  2155.16  178.431  2308.01  117.816 -152.8545 213.8182 
1 1 1  -19    1   36 o  2340.62   95.899   89.477   7.0285   96.346   8.6868   76.454   11.960  2406.76  115.268  2040.22  189.372 366.5463 221.6949 
1 1 1  -19    1   38 o  2525.52   86.285  103.337   6.8235  108.648   9.6777   98.086   9.6222  2548.10  121.294  2409.75  127.981 138.3528 176.3273 
1 1 1  -19    1   40 o  481.400  132.082   4.0783   2.0511   6.1655   2.6462   0.9371   3.2463  586.697  144.899  377.067  159.492 209.6302 215.4840 
1 1 1  -19    1   42 o  1232.91   96.606   25.202   3.6997   29.463   6.2003   22.846   4.6103  1277.23  158.436  1147.82  130.601 129.4106 205.3259 
1 1 1  -19    1   44 o  2917.18  110.852  144.096   10.126  132.721   17.449  149.871   12.433  2523.30  223.141  2920.02  135.983 -396.7268 261.3109 
1 1 1  -19    1   46 o  2258.98  127.070   89.808   8.9517   83.894   12.675   95.691   12.644  2019.93  203.160  2201.50  185.139 -181.5804 274.8643 
1 1 1  -19    1   48 f  2060.01   97.501   72.039   6.2892   69.846   7.6827   76.494   10.950  1977.86  124.690  1941.19  182.286 36.67737 220.8528 
1 1 1  -19    1   50 o  1596.10   97.508   44.439   4.8498   42.514   5.8885   48.497   8.5512  1511.60  125.544  1478.94  188.975 32.66333 226.8768 
1 1 1  -19    1   52 o  3413.98  147.324  251.521   15.749  249.955   19.267  254.676   27.339  3053.48  202.664  1705.95  487.468 1347.530 527.9183 
1 1 1  -19    1   54 o  357.719  135.821   3.1598   2.0980  -0.9874   2.9283   7.5338   3.0073  257.580  123.862  508.497  165.088 -250.9171 206.3877 
1 1 1  -19    1   56 o  2331.13  104.624  116.643   7.6368  123.689   10.787  109.561   10.814  1961.30  177.565  1706.72  206.552 254.5803 272.3838 
1 1 1  -19    1   58 o  974.284  108.164   22.518   3.2441   23.927   4.6499   21.182   4.5282  728.438  198.463  651.965  201.456 76.47296 282.7935 
1 1 1  -19    1   60 o  2174.92  137.342  153.831   9.3053  155.775   13.170  151.893   13.150  708.157  310.398  666.531  300.001 41.62634 431.6796 
1 1 1  -19    1   62 o  ?   ?   525.511   25.691  532.499   36.341  518.530   36.323  ?   ?   ?   ?  0.000000      ? 
1 1 1  -19    2    1 o  1072.53   70.676   18.192   2.3602   19.845   3.3595   16.582   3.3166  1115.59   97.144  1017.23  105.668 98.35376 143.5361 
1 1 1  -19    2    3 o  2394.23   79.497   90.378   5.9598   93.816   8.4442   86.964   8.4128  2431.34  110.916  2339.73  114.831 91.60498 159.6511 
1 1 1  -19    2    5 o  1670.42   71.515   43.928   3.7406   44.052   5.3077   43.805   5.2725  1664.94  102.305  1660.36  101.906 4.581421 144.3991 
1 1 1  -19    2    7 o  520.750   86.919   4.3931   1.3673   4.5945   2.0648   4.2359   1.8248  526.809  126.720  506.464  117.362 20.34549 172.7187 
1 1 1  -19    2    9 o  1177.53   70.443   21.906   2.5854   22.438   3.6848   21.391   3.6284  1186.40  100.126  1158.01  101.080 28.39478 142.2759 
1 1 1  -19    2   11 o  1688.63   72.700   44.924   3.8440   47.328   5.4538   42.550   5.4188  1725.27  101.401  1634.27  106.474 91.00317 147.0333 
1 1 1  -19    2   13 o  1146.47   70.770   20.790   2.5282   23.301   3.5901   18.320   3.5608  1209.15   95.602  1068.48  107.908 140.6613 144.1657 
1 1 1  -19    2   15 o  814.310   79.179   10.572   1.9934   9.7706   2.7512   11.457   2.8922  774.168  117.156  840.709  112.704 -66.54071 162.5658 
1 1 1  -19    2   17 o  1772.44   73.070   49.610   4.0553   53.561   5.7571   45.719   5.7133  1831.96  100.750  1689.50  108.572 142.4642 148.1164 
1 1 1  -19    2   19 o  1285.59   72.074   26.202   2.8896   24.687   4.1085   27.685   4.0649  1238.44  107.000  1314.33   99.509 -75.88916 146.1197 
1 1 1  -19    2   21 o  1202.60   85.032   23.088   3.1814   25.180   3.9688   19.326   5.3212  1250.96  102.213  1071.76  163.757 179.2025 193.0382 
1 1 1  -19    2   23 o  895.221   87.626   12.878   2.4248   11.511   3.0380   15.277   4.0250  836.643  119.347  959.088  138.000 -122.4451 182.4495 
1 1 1  -19    2   25 o  2315.80  117.206   87.014   8.4713   81.691   11.977   92.343   11.984  2196.57  175.597  2347.08  164.095 -150.5056 240.3362 
1 1 1  -19    2   27 o  2065.18   90.199   68.299   5.8328   63.318   9.9969   70.869   7.1819  1931.36  166.946  2089.67  110.150 -158.3020 200.0100 
1 1 1  -19    2   29 o  934.294  115.863   14.455   3.3168   0.0000   0.0000   14.455   3.3168  ?   ?   934.294  115.863 0.000000 115.8629 
1 1 1  -19    2   31 o  581.086  112.386   5.7126   1.9709   8.5250   3.0734   3.7480   2.5687  698.703  145.216  469.898  152.577 228.8047 210.6362 
1 1 1  -19    2   33 o  2082.50   90.251   70.368   5.8851   69.987   10.128   70.562   7.2311  1994.03  163.652  2063.03  112.363 -69.00720 198.5131 
1 1 1  -19    2   35 o  2669.54   87.565  115.540   7.3196  123.037   10.412  108.214   10.292  2710.35  122.681  2528.60  130.435 181.7439 179.0641 
1 1 1  -19    2   37 o  2932.78   92.674  139.933   8.5105  151.269   12.101  128.838   11.972  2996.87  128.952  2746.54  139.663 250.3342 190.0897 
1 1 1  -19    2   39 o  3057.61  109.762  154.745   10.509  147.617   18.243  158.286   12.856  2787.87  210.531  3051.14  134.565 -263.2708 249.8622 
1 1 1  -19    2   41 o  1247.11   92.941   25.585   3.6033   21.363   6.1756   27.764   4.4369  1059.68  193.237  1286.26  111.257 -226.5848 222.9766 
1 1 1  -19    2   43 o  3409.14  121.689  198.531   12.990  191.496   22.456  202.069   15.925  3001.67  240.954  3363.92  151.187 -362.2461 284.4583 
1 1 1  -19    2   45 o  3042.93  114.766  158.404   10.935  156.211   18.845  159.516   13.427  2716.40  223.538  2982.43  143.775 -266.0278 265.7833 
1 1 1  -19    2   47 o  2538.52  107.384  110.219   8.5357  117.041   14.640  106.705   10.506  2384.03  197.902  2427.65  138.787 -43.61646 241.7170 
1 1 1  -19    2   49 o  1288.58   99.007   28.673   3.9642   27.013   4.8351   32.075   6.9240  1211.99  129.407  1234.21  184.855 -22.21509 225.6490 
1 1 1  -19    2   51 o  2113.73  102.217   80.443   6.7653   73.684   8.2390   94.436   11.854  1921.79  137.831  1984.13  193.250 -62.33679 237.3661 
1 1 1  -19    2   53 o  639.340  142.478   9.2706   2.7794   9.5658   3.4028   8.6788   4.8176  594.746  172.585  476.010  197.305 118.7357 262.1348 
1 1 1  -19    2   55 o  2390.97  102.187  116.950   7.6504  109.111   10.742  125.017   10.898  1864.88  186.464  2097.53  167.319 -232.6549 250.5284 
1 1 1  -19    2   57 o  3051.45  164.081  297.475   15.620  283.954   22.037  311.128   22.144  815.616  375.218  1061.13  429.435 -245.5110 570.2659 
1 1 1  -19    2   59 o  2518.70  158.604  224.272   12.445  216.419   17.572  232.174   17.627  598.771  291.583  695.906  325.397 -97.13489 436.9256 
1 1 1  -19    2   61 o  1525.46  342.498  304.023   15.959  302.385   22.573  305.660   22.566  ?   ?   ?   ?  0.000000      ? 
1 1 1  -19    3    2 o  1344.12   71.106   28.532   2.9820   30.671   4.2306   26.420   4.2040  1388.48   97.935  1286.53  105.281 101.9468 143.7893 
1 1 1  -19    3    4 o  1099.91   70.778   19.126   2.4247   20.371   3.4774   17.948   3.3827  1130.17   99.268  1059.46  103.281 70.70715 143.2524 
1 1 1  -19    3    6 o  1436.68   69.629   32.491   3.1324   34.159   4.4811   30.897   4.3803  1466.02   98.184  1393.31  101.089 72.71008 140.9227 
1 1 1  -19    3    8 o  1332.56   70.368   28.035   2.9258   30.994   4.1718   25.170   4.1044  1396.50   95.986  1255.77  105.354 140.7307 142.5232 
1 1 1  -19    3   10 o  565.178   83.282   5.1477   1.4297   5.6508   2.0497   4.6712   1.9951  586.270  115.765  531.170  122.459 55.10028 168.5163 
1 1 1  -19    3   12 o  2691.06   84.231  114.412   7.0977  106.657   9.9899  122.317   10.086  2584.92  123.424  2771.19  116.234 -186.2725 169.5402 
1 1 1  -19    3   14 o  940.388   74.372   14.038   2.1721   12.058   3.0783   16.001   3.0653  861.900  117.093  999.351   99.272 -137.4509 153.5110 
1 1 1  -19    3   16 o  1891.42   76.878   56.527   4.5531   57.312   6.4404   55.741   6.4378  1892.81  109.127  1866.04  110.673 26.77124 155.4256 
1 1 1  -19    3   18 o  1292.85   85.126   26.612   3.4268   26.716   4.2558   26.419   5.7790  1289.45  106.354  1267.14  148.465 22.31506 182.6280 
1 1 1  -19    3   20 o  628.757  103.033   6.4715   1.9582   5.1193   2.4666   8.7764   3.2204  550.827  142.080  721.643  147.498 -170.8168 204.7985 
1 1 1  -19    3   22 o  1116.64   86.567   19.946   3.0031   22.097   3.7444   16.068   5.0279  1170.57  103.215  971.178  171.614 199.3884 200.2616 
1 1 1  -19    3   24 o  1696.39  105.693   46.395   5.5863   39.854   7.8682   53.043   7.9328  1539.60  165.827  1793.78  142.405 -254.1833 218.5816 
1 1 1  -19    3   26 o  2046.33  113.925   67.981   7.2709   67.511   10.185   68.469   10.383  2001.84  163.922  2014.15  166.116 -12.31372 233.3774 
1 1 1  -19    3   28 o  2507.80   97.763  101.320   7.6769  109.809   13.325   97.103   9.3923  2536.82  168.707  2431.80  123.756 105.0227 209.2310 
1 1 1  -19    3   30 o  2296.48  117.380   86.892   8.4124   0.0000   0.0000   86.892   8.4124  ?   ?   2296.48  117.380 0.000000 117.3801 
1 1 1  -19    3   32 o  448.361  130.670   3.4580   1.9469   3.9875   4.0960   3.3034   2.2128  504.487  190.204  441.693  141.433 62.79376 237.0252 
1 1 1  -19    3   34 o  362.938  130.818   1.9689   1.9009   4.5892   3.9388   1.1733   2.1703  520.112  188.180  337.817  135.237 182.2946 231.7339 
1 1 1  -19    3   36 o  1752.00   78.821   49.387   4.3241   51.038   6.2285   47.852   6.0079  1752.30  114.140  1696.88  113.729 55.41980 161.1278 
1 1 1  -19    3   38 o  1955.41   93.169   62.215   5.7046   63.545   9.9545   61.564   6.9610  1890.12  170.014  1922.27  116.195 -32.14709 205.9274 
1 1 1  -19    3   40 o  1527.52   91.279   38.145   4.3459   36.863   7.6411   38.758   5.2838  1425.16  174.899  1524.16  111.486 -99.00793 207.4098 
1 1 1  -19    3   42 o  3652.32  125.416  227.454   14.343  250.454   24.958  216.112   17.526  3513.72  228.076  3468.28  161.382 45.44678 279.3970 
1 1 1  -19    3   44 o  2009.70   82.427   66.031   5.1870   67.468   7.3027   64.568   7.3689  1985.26  118.007  1936.12  122.177 49.13965 169.8608 
1 1 1  -19    3   46 o  2815.58   93.029  132.042   8.2016  126.670   11.573  137.464   11.625  2657.62  139.559  2786.18  133.249 -128.5645 192.9561 
1 1 1  -19    3   48 o  3431.49  106.449  202.767   11.438  196.959   16.150  208.611   16.201  3195.17  161.951  3311.32  156.250 -116.1526 225.0382 
1 1 1  -19    3   50 o  2532.50  142.832  124.906   11.280  122.169   15.863  127.706   16.044  2166.39  237.750  2231.35  233.071 -64.96045 332.9371 
1 1 1  -19    3   52 o  1275.07  105.929   30.595   4.1910   31.622   5.0848   28.419   7.4011  1239.03  133.149  897.240  252.681 341.7936 285.6154 
1 1 1  -19    3   54 o  1819.79  109.770   67.664   6.2256   62.144   7.5852   79.057   10.898  1569.41  156.438  1388.51  260.211 180.9010 303.6160 
1 1 1  -19    3   56 o  1179.01  118.132   31.956   4.3025   33.193   5.2169   29.327   7.6076  1076.16  159.660  540.179  236.365 535.9769 285.2362 
1 1 1  -19    3   58 o  1622.08   98.862   58.933   4.9973   54.151   6.8223   64.470   7.3408  1152.42  196.085  1288.10  187.503 -135.6821 271.3050 
1 1 1  -19    3   60 o  946.426  381.290  280.488   17.372  279.020   21.234  283.460   30.209  ?   ?   ?   ?  0.000000      ? 
1 1 1  -19    3   62 o  462.824  233.740  260.166   16.246  256.256   19.849  268.099   28.273  ?   ?   ?   ?  0.000000      ? 
1 1 1  -19    4    1 o  2458.81   80.827   95.431   6.2230   99.512   8.8063   91.360   8.7949  2501.33  112.436  2395.05  117.273 106.2864 162.4651 
1 1 1  -19    4    3 o  1979.41   75.108   61.759   4.6552   54.304   6.5710   69.271   6.5961  1844.56  114.331  2090.71  100.757 -246.1520 152.3930 
1 1 1  -19    4    5 o  1065.95   70.647   17.971   2.3447   17.671   3.3145   18.272   3.3172  1051.21  101.978  1069.46  100.228 -18.25085 142.9866 
1 1 1  -19    4    7 o  742.488   76.216   8.7798   1.7468   7.4274   2.5604   9.9573   2.3892  672.029  126.315  786.939   99.161 -114.9106 160.5873 
1 1 1  -19    4    9 f  1460.90   71.892   33.625   3.2887   33.235   4.6723   34.007   4.6298  1443.89  104.039  1461.17  101.828 -17.28882 145.5784 
1 1 1  -19    4   11 o  327.132  106.873   1.6388   1.2596   3.4614   1.7235  -0.4505   1.8453  457.629  119.119  263.668  115.865 193.9608 166.1747 
1 1 1  -19    4   13 o  1563.23   73.354   38.545   3.5906   41.844   5.1229   35.359   5.0340  1620.26  101.488  1486.85  108.882 133.4091 148.8456 
1 1 1  -19    4   15 o  776.302   81.404   9.6314   1.9493   9.2163   2.8120   10.015   2.7047  749.237  124.212  784.568  113.384 -35.33142 168.1799 
1 1 1  -19    4   17 o  1824.64   86.350   52.781   4.9335   53.172   6.0874   52.033   8.4217  1822.32  107.153  1782.68  152.334 39.63928 186.2455 
1 1 1  -19    4   19 o  1521.65   82.360   36.812   3.9096   38.892   4.8649   33.020   6.5694  1558.53  100.218  1415.71  150.503 142.8175 180.8173 
1 1 1  -19    4   21 o  1420.60   84.386   32.160   3.7369   32.039   4.6349   32.386   6.3167  1410.93  105.678  1401.65  146.071 9.282349 180.2898 
1 1 1  -19    4   23 o  725.232   95.975   8.5384   2.1259   5.8789   3.5957   9.9678   2.6360  587.964  179.140  780.207  111.033 -192.2434 210.7591 
1 1 1  -19    4   25 o  1725.77  108.033   48.140   5.8085   40.562   8.0661   56.303   8.3713  1548.72  169.079  1843.51  146.221 -294.7871 223.5356 
1 1 1  -19    4   27 o  1443.87   86.329   33.437   3.8851   29.844   6.5897   35.352   4.8101  1324.66  162.263  1476.61  104.711 -151.9501 193.1155 
1 1 1  -19    4   29 o  3747.91  122.191  230.901   14.340  248.421   24.966  222.275   17.518  3700.59  216.396  3626.37  154.274 74.22339 265.7585 
1 1 1  -19    4   31 o  390.044  138.389   2.3247   2.1193   0.0000   0.0000   2.3247   2.1193  ?   ?   390.044  138.389 0.000000 138.3892 
1 1 1  -19    4   33 o  1104.78   94.566   19.966   3.2398   17.893   6.0352   20.806   3.8400  973.694  204.459  1119.03  111.058 -145.3331 232.6746 
1 1 1  -19    4   35 o  831.987  124.685   11.762   3.1482   0.0000   0.0000   11.762   3.1482  ?   ?   831.987  124.685 0.000000 124.6854 
1 1 1  -19    4   37 o  2449.82  123.303  100.288   9.4283  104.576   13.456   96.152   13.215  2419.82  178.850  2311.63  184.096 108.1951 256.6686 
1 1 1  -19    4   39 o  2156.62   94.523   75.789   6.3831   86.502   11.192   70.626   7.7707  2217.00  162.357  2053.03  121.418 163.9734 202.7366 
1 1 1  -19    4   41 o  1346.55   78.948   29.396   3.3142   31.688   4.9069   27.473   4.4942  1372.30  115.262  1278.66  113.426 93.64441 161.7122 
1 1 1  -19    4   43 o  1119.56   82.004   20.509   2.8547   22.844   4.0653   18.236   4.0097  1159.88  113.385  1024.82  127.724 135.0543 170.7913 
1 1 1  -19    4   45 o  1213.56   84.725   24.283   3.1993   22.843   4.4432   25.833   4.6104  1142.77  126.281  1219.61  122.376 -76.83997 175.8487 
1 1 1  -19    4   47 o  1344.55   82.007   29.892   3.4361   30.542   4.7958   29.207   4.9255  1323.84  116.893  1286.68  123.782 37.16309 170.2529 
1 1 1  -19    4   49 o  556.772  132.004   5.8810   2.2663   5.2332   3.2131   6.5224   3.1972  499.486  170.840  556.571  168.776 -57.08545 240.1492 
1 1 1  -19    4   51 o  852.552  153.618   15.418   3.9501   11.923   5.3237   19.700   5.8920  621.080  219.446  841.656  220.811 -220.5765 311.3099 
1 1 1  -19    4   53 o  1363.51  105.417   36.129   4.4658   37.927   5.4886   32.607   7.6818  1320.50  134.623  881.908  260.286 438.5931 293.0396 
1 1 1  -19    4   55 o  1792.22  112.843   69.023   6.3003   68.006   7.6315   71.199   11.165  1607.20  153.510  945.156  318.479 662.0396 353.5453 
1 1 1  -19    4   57 o  870.390  190.273   27.926   5.0410   27.926   5.0410   0.0000   0.0000  870.390  190.273  ?   ?  0.000000 190.2734 
1 1 1  -19    4   59 o  1577.06  134.930   73.737   6.5989   74.204   8.0351   72.770   11.566  1193.63  223.187  415.386  208.116 778.2443 305.1637 
1 1 1  -19    4   61 o  699.545  186.026   25.656   4.1454   20.874   4.9867   36.355   7.4581  373.705  174.183  336.059  168.186 37.64603 242.1286 
1 1 1  -19    5    2 o  1239.28   71.848   24.283   2.7761   25.368   3.9478   23.221   3.9046  1260.89  100.834  1205.15  104.504 55.73914 145.2191 
1 1 1  -19    5    4 o  580.302   82.570   5.4207   1.4580   6.3487   2.1594   4.6431   1.9767  622.229  115.069  529.444  121.773 92.78510 167.5393 
1 1 1  -19    5    6 o  1412.11   71.714   31.497   3.1605   32.652   4.5128   30.386   4.4277  1431.63  101.325  1380.38  103.185 51.24866 144.6164 
1 1 1  -19    5    8 o  2091.12   78.045   68.985   5.1102   69.739   7.2665   68.248   7.1880  2091.49  111.358  2068.94  111.364 22.55566 157.4884 
1 1 1  -19    5   10 o  858.375   75.174   11.708   2.0001   12.097   2.9167   11.362   2.7481  865.581  110.105  839.158  107.022 26.42365 153.5475 
1 1 1  -19    5   12 o  1256.64   72.795   24.987   2.8521   26.244   4.0659   23.769   4.0019  1281.56  102.170  1218.30  105.959 63.26099 147.1939 
1 1 1  -19    5   14 o  2118.21   88.716   71.077   5.8842   76.602   7.2516   60.427   10.068  2193.66  105.572  1917.16  169.457 276.5024 199.6523 
1 1 1  -19    5   16 o  606.288   99.291   5.9927   1.8197   6.2080   2.3168   5.6459   2.9401  611.361  125.234  579.142  157.822 32.21869 201.4734 
1 1 1  -19    5   18 o  769.213   90.201   9.5208   2.1313   10.554   2.6860   7.7647   3.5022  805.597  109.303  674.844  166.713 130.7534 199.3502 
1 1 1  -19    5   20 o  1328.95   85.027   28.146   3.5197   29.596   4.3789   25.499   5.9161  1357.13  103.833  1239.11  155.931 118.0160 187.3391 
1 1 1  -19    5   22 o  446.020  117.231   3.3195   1.6588   0.4752   2.6494   5.1533   2.1273  345.992  145.092  554.222  125.499 -208.2298 191.8376 
1 1 1  -19    5   24 o  1263.59  105.388   25.805   4.1318   23.514   5.7016   28.338   5.9958  1183.22  157.827  1304.82  149.447 -121.5984 217.3563 
1 1 1  -19    5   26 f  1785.98   88.936   50.982   4.9736   43.650   8.5869   54.685   6.1013  1599.67  174.250  1838.81  106.421 -239.1383 204.1778 
1 1 1  -19    5   28 o  218.582  100.103  -0.9935   1.5444  -0.8492   3.7079  -1.0237   1.6987  362.604  161.538  230.877  105.452 131.7269 192.9109 
1 1 1  -19    5   30 o  2430.14   98.484   95.727   7.4940  100.801   13.183   93.305   9.1089  2400.25  176.646  2374.04  122.957 26.20850 215.2255 
1 1 1  -19    5   32 f  1964.50  115.148   63.823   7.0522   0.0000   0.0000   63.823   7.0522  ?   ?   1964.50  115.148 0.000000 115.1478 
1 1 1  -19    5   34 o  1520.28  109.094   38.117   5.1587   0.0000   0.0000   38.117   5.1587  ?   ?   1520.28  109.094 0.000000 109.0941 
1 1 1  -19    5   36 o  1713.85   91.757   47.677   4.9063   50.145   8.7677   46.551   5.9199  1690.22  167.884  1677.98  113.336 12.24426 202.5586 
1 1 1  -19    5   38 o  2659.68  101.234  115.571   8.4308  123.029   10.434  101.540   14.311  2717.83  122.601  2357.98  195.591 359.8511 230.8397 
1 1 1  -19    5   40 o  2330.66   84.095   87.898   6.1371   88.955   8.6981   86.850   8.6605  2302.38  121.076  2273.63  122.095 28.74292 171.9494 
1 1 1  -19    5   42 o  1442.93   79.314   33.811   3.5698   30.058   5.0564   37.541   5.0405  1327.32  123.061  1498.02  108.185 -170.7039 163.8531 
1 1 1  -19    5   44 o  1386.93   79.822   31.405   3.4519   31.423   4.8744   31.388   4.8889  1357.24  115.805  1356.03  116.264 1.208862 164.0982 
1 1 1  -19    5   46 o  826.058  101.055   11.586   2.5594   12.642   3.5088   10.384   3.7414  836.450  138.838  735.053  166.424 101.3968 216.7320 
1 1 1  -19    5   48 f  1348.85  100.402   31.134   4.2102   32.775   6.9427   30.179   5.2949  1276.29  178.619  1287.70  133.246 -11.41077 222.8436 
1 1 1  -19    5   50 o  569.718  136.624   6.4308   2.4058   8.1573   3.1608   4.0532   3.7092  617.232  161.633  438.721  176.384 178.5107 239.2416 
1 1 1  -19    5   52 o  2695.27  121.239  144.199   10.232  140.092   12.508  152.509   17.790  2452.19  163.841  1941.35  302.507 510.8379 344.0268 
1 1 1  -19    5   54 o  738.185  172.870   15.106   3.9255   15.106   3.9255   0.0000   0.0000  738.185  172.870  ?   ?  0.000000 172.8698 
1 1 1  -19    5   56 o  1958.47  215.353  150.770   12.988  150.770   12.988   0.0000   0.0000  1958.47  215.353  ?   ?  0.000000 215.3534 
1 1 1  -19    5   58 o  1486.04  243.682  118.326   10.946  118.326   10.946   0.0000   0.0000  1486.04  243.682  ?   ?  0.000000 243.6818 
1 1 1  -19    5   60 o  724.369  230.143   38.795   5.8680   38.795   5.8680   0.0000   0.0000  724.369  230.143  ?   ?  0.000000 230.1430 
1 1 1  -19    6    1 f  1185.31   81.150   22.294   2.9938   24.371   5.1882   21.257   3.6656  1224.92  137.650  1152.64  102.636 72.27856 171.7025 
1 1 1  -19    6    3 o  1535.69   83.629   37.369   4.0062   35.941   6.8819   38.102   4.9272  1486.47  149.901  1546.15  102.351 -59.67371 181.5103 
1 1 1  -19    6    5 o  1185.05   71.962   22.214   2.6576   20.607   3.7688   23.803   3.7482  1133.97  107.422  1221.47   98.847 -87.49304 145.9798 
1 1 1  -19    6    7 o  1598.00   72.013   40.251   3.6034   41.230   5.1057   39.278   5.0861  1608.85  101.877  1569.56  104.079 39.29102 145.6412 
1 1 1  -19    6    9 o  827.552   76.606   10.896   1.9626   11.929   2.8944   10.018   2.6701  859.262  110.109  785.958  111.633 73.30408 156.7991 
1 1 1  -19    6   11 o  1293.79   74.606   26.497   3.0096   25.580   4.2970   27.381   4.2165  1263.06  109.740  1308.68  103.747 -45.62585 151.0177 
1 1 1  -19    6   13 o  1948.41   87.946   60.121   5.3655   60.585   6.6214   59.234   9.1567  1947.08  109.043  1905.72  154.785 41.35242 189.3381 
1 1 1  -19    6   15 o  2014.02  109.512   64.904   6.8803   67.467   9.7890   62.401   9.6725  2031.94  155.023  1951.28  159.707 80.66492 222.5726 
1 1 1  -19    6   17 o  721.363  113.696   8.5156   2.4831   7.1132   3.4853   9.9611   3.5385  646.443  169.941  770.307  152.102 -123.8638 228.0677 
1 1 1  -19    6   19 o  1543.29   84.063   37.880   4.0470   36.747   6.9667   38.457   4.9719  1494.45  150.945  1549.01  103.095 -54.55212 182.7926 
1 1 1  -19    6   21 f  711.956   93.177   8.2021   2.0274   6.3272   3.3224   9.3144   2.5590  608.911  168.530  754.502  111.691 -145.5905 202.1814 
1 1 1  -19    6   23 o  829.415  118.743   11.304   2.9959   9.6395   3.9045   13.688   4.6716  747.742  170.539  893.309  173.264 -145.5674 243.1128 
1 1 1  -19    6   25 o  1048.45   87.863   17.655   2.8579   23.329   5.3582   15.399   3.3786  1181.31  148.113  970.476  113.316 210.8317 186.4884 
1 1 1  -19    6   27 o  611.671  119.251   6.2839   2.2020   6.2849   4.4704   6.2835   2.5302  603.915  201.538  606.482  136.526 -2.567383 243.4268 
1 1 1  -19    6   29 o  248.406  110.805  -0.5793   1.7506   0.0000   0.0000  -0.5793   1.7506  ?   ?   248.406  110.805 0.000000 110.8049 
1 1 1  -19    6   31 o  1007.98  115.703   16.887   3.5857   0.0000   0.0000   16.887   3.5857  ?   ?   1007.98  115.703 0.000000 115.7026 
1 1 1  -19    6   33 o  921.772  118.934   14.218   3.3527   0.0000   0.0000   14.218   3.3527  ?   ?   921.772  118.934 0.000000 118.9341 
1 1 1  -19    6   35 o  339.228  129.312   1.4490   1.9065   6.3185   3.6235  -0.4151   2.2419  592.688  179.664  287.961  127.078 304.7275 220.0638 
1 1 1  -19    6   37 o  2042.11   81.578   67.002   5.2164   72.471   7.4354   61.702   7.3201  2096.12  113.710  1926.32  121.988 169.7965 166.7667 
1 1 1  -19    6   39 o  1912.23   94.090   59.449   5.6338   55.952   7.0207   65.775   9.4415  1827.64  123.402  1944.74  156.368 -117.0984 199.1962 
1 1 1  -19    6   41 o  2034.27   81.643   66.948   5.2005   67.027   7.4401   66.872   7.2720  1996.17  119.583  1997.01  116.802 -0.8371582 167.1611 
1 1 1  -19    6   43 o  2565.23   85.786  107.351   6.8906  109.256   9.7512  105.451   9.7385  2534.75  122.859  2483.46  125.641 51.29053 175.7273 
1 1 1  -19    6   45 o  1165.73   84.144   22.344   3.0508   22.359   4.3667   22.330   4.2641  1134.53  124.993  1136.66  121.696 -2.130737 174.4506 
1 1 1  -19    6   47 o  502.311  138.955   4.6983   2.2593   2.5805   2.9953   7.4931   3.4410  408.158  160.316  612.526  172.218 -204.3686 235.2874 
1 1 1  -19    6   49 o  1856.66   98.160   59.520   5.6864   52.453   6.8970   74.521   10.049  1680.93  132.100  1911.57  169.643 -230.6394 215.0104 
1 1 1  -19    6   51 o  2227.83  107.119   91.444   7.4725   89.103   9.0977   96.299   13.100  2090.66  139.779  1843.86  232.038 246.7946 270.8871 
1 1 1  -19    6   53 f  1140.40  111.517   25.935   3.9312   27.570   4.7190   22.227   7.1061  1116.66  137.893  656.739  249.820 459.9173 285.3497 
1 1 1  -19    6   55 o  982.507  164.561   26.559   4.8836   26.559   4.8836   0.0000   0.0000  982.507  164.561  ?   ?  0.000000 164.5606 
1 1 1  -19    6   57 o  1269.80  163.751   50.011   6.3591   50.011   6.3591   0.0000   0.0000  1269.80  163.751  ?   ?  0.000000 163.7511 
1 1 1  -19    6   59 o  663.591  207.293   24.504   4.7797   24.504   4.7797   0.0000   0.0000  663.591  207.293  ?   ?  0.000000 207.2933 
1 1 1  -19    6   61 o  678.370  285.790  108.941   10.356  108.941   10.356   0.0000   0.0000  678.370  285.790  ?   ?  0.000000 285.7899 
1 1 1  -19    7    2 o  949.885   82.142   14.360   2.4191   12.803   4.1319   15.172   2.9840  877.936  156.020  973.018   99.333 -95.08258 184.9576 
1 1 1  -19    7    4 o  1119.94   82.720   19.923   2.8803   20.682   4.9111   19.524   3.5561  1125.89  142.493  1104.02  104.097 21.87720 176.4667 
1 1 1  -19    7    6 o  315.236  111.105   1.3926   1.3638   1.1186   2.3389   1.5338   1.6788  354.676  140.912  339.062  122.826 15.61371 186.9289 
1 1 1  -19    7    8 o  485.400  114.844   3.9027   1.7183   4.8786   2.8828   3.3650   2.1399  543.333  159.195  455.706  138.054 87.62659 210.7180 
1 1 1  -19    7   10 o  184.506   86.135  -1.1701   1.2272  -1.6195   1.6959  -0.6763   1.7780  216.366  101.092  250.629  111.741 -34.26282 150.6841 
1 1 1  -19    7   12 o  2434.58  115.354   94.620   8.7938  108.369   12.525   81.253   12.350  2580.95  155.708  2219.91  179.192 361.0354 237.3914 
1 1 1  -19    7   14 o  1922.23  109.673   59.113   6.5738   54.618   9.3325   63.541   9.2615  1822.84  165.303  1974.67  150.929 -151.8300 223.8404 
1 1 1  -19    7   16 o  1447.29   85.280   33.297   3.8477   36.649   6.6154   31.584   4.7300  1499.01  142.661  1402.86  108.523 96.15027 179.2469 
1 1 1  -19    7   18 f  1547.93   84.113   38.085   4.0616   30.444   6.9430   42.060   5.0079  1352.98  167.463  1622.32   99.057 -269.3405 194.5663 
1 1 1  -19    7   20 o  423.522  119.653   2.9630   1.6569   3.1742   2.6749   2.8315   2.1104  455.401  155.878  423.767  138.334 31.63455 208.4087 
1 1 1  -19    7   22 f  671.078  141.968   7.5967   2.8901   7.8786   4.1486   7.3309   4.0284  674.081  188.948  651.704  187.397 22.37793 266.1184 
1 1 1  -19    7   24 o  1380.66   88.915   30.514   3.8235   22.804   6.8737   33.968   4.6010  1142.68  199.360  1452.16  101.831 -309.4868 223.8616 
1 1 1  -19    7   26 o  2631.71  100.484  111.396   8.2804  117.921   14.478  108.224   10.094  2630.98  176.765  2575.12  125.188 55.85352 216.6057 
1 1 1  -19    7   28 o  790.081  118.840   10.400   2.8490   0.0000   0.0000   10.400   2.8490  ?   ?   790.081  118.840 0.000000 118.8401 
1 1 1  -19    7   30 f  1849.92  107.259   55.884   6.1864   0.0000   0.0000   55.884   6.1864  ?   ?   1849.92  107.259 0.000000 107.2588 
1 1 1  -19    7   32 f  1164.59   93.567   22.029   3.3832   18.948   6.0343   23.441   4.0858  1020.49  195.967  1193.21  110.614 -172.7245 225.0297 
1 1 1  -19    7   34 o  1446.65   92.455   33.879   4.1661   26.569   7.3573   37.330   5.0546  1209.27  201.384  1510.16  107.596 -300.8944 228.3251 
1 1 1  -19    7   36 o  2106.65   81.478   71.161   5.3747   69.946   7.6620   72.337   7.5413  2058.01  119.411  2096.64  115.313 -38.63184 166.0004 
1 1 1  -19    7   38 o  1307.51   81.467   27.567   3.3188   28.475   4.7842   26.726   4.6077  1308.49  118.037  1267.81  117.402 40.68555 166.4811 
1 1 1  -19    7   40 o  477.137  145.637   3.9773   2.3750   3.0695   3.0477   5.3809   3.7895  445.616  164.841  547.817  185.543 -102.2016 248.1905 
1 1 1  -19    7   42 o  3867.65  111.943  249.421   13.557  260.426   19.207  238.497   19.138  3831.72  160.087  3646.30  167.616 185.4133 231.7820 
1 1 1  -19    7   44 o  2533.62  102.874  106.732   8.1614  108.430   10.126  103.584   13.788  2509.24  129.315  2333.21  190.387 176.0278 230.1510 
1 1 1  -19    7   46 o  809.935  110.661   11.280   2.7331   12.700   3.4739   8.9739   4.4276  841.712  136.479  658.266  198.392 183.4459 240.8028 
1 1 1  -19    7   48 o  2830.26  112.143  139.560   9.9384  135.285   12.148  148.212   17.281  2696.27  144.417  2586.13  215.362 110.1423 259.3014 
1 1 1  -19    7   50 o  2774.87  116.937  142.166   10.160  135.324   12.422  155.991   17.659  2560.37  155.689  2395.00  238.654 165.3640 284.9469 
1 1 1  -19    7   52 o  1700.54  103.909   54.514   5.5064   48.651   6.6660   67.107   9.7699  1495.93  144.093  1555.78  205.587 -59.85327 251.0556 
1 1 1  -19    7   54 o  1075.91  116.038   24.270   3.8474   27.826   4.6209   16.237   6.9463  1100.72  137.038  492.289  220.073 608.4341 259.2520 
1 1 1  -19    7   56 o  1016.76  166.464   30.303   5.1163   30.303   5.1163   0.0000   0.0000  1016.76  166.464  ?   ?  0.000000 166.4645 
1 1 1  -19    7   58 o  1113.83  188.218   46.869   6.3305   46.869   6.3305   0.0000   0.0000  1113.83  188.218  ?   ?  0.000000 188.2182 
1 1 1  -19    7   60 o  821.608  217.512   39.053   5.6838   39.053   5.6838   0.0000   0.0000  821.608  217.512  ?   ?  0.000000 217.5118 
1 1 1  -19    8    1 o  366.677  120.991   2.0566   1.6128   2.1780   2.1440   1.8982   2.4478  392.834  139.214  392.515  147.226 0.3186646 202.6226 
1 1 1  -19    8    3 o  1156.80   83.353   21.255   2.9990   18.175   5.0834   22.898   3.7142  1048.73  159.857  1197.27   99.988 -148.5408 188.5523 
1 1 1  -19    8    5 o  518.779  110.227   4.4402   1.7353   5.8858   2.7611   3.4964   2.2310  592.944  148.916  464.462  141.020 128.4821 205.0916 
1 1 1  -19    8    7 o  509.009  125.365   4.3046   1.9849   4.1238   2.7420   4.5038   2.8772  504.870  156.891  525.169  160.297 -20.29855 224.2992 
1 1 1  -19    8    9 o  649.249  121.132   6.9401   2.3720   7.4045   3.4014   6.5004   3.3094  662.584  164.666  621.564  166.634 41.01996 234.2689 
1 1 1  -19    8   11 o  686.339  118.494   7.7256   2.4545   11.015   3.5585   4.7404   3.3900  815.433  144.665  543.180  175.174 272.2525 227.1870 
1 1 1  -19    8   13 o  746.382   97.735   8.9903   2.2293   8.7694   3.6374   9.1232   2.8212  720.422  164.819  745.175  125.361 -24.75250 207.0768 
1 1 1  -19    8   15 o  625.815  103.196   6.3899   1.9517   2.2913   3.4579   8.3061   2.3643  448.539  173.346  713.982  109.229 -265.4426 204.8893 
1 1 1  -19    8   17 o  844.953   91.579   11.461   2.3842   11.241   4.1382   11.570   2.9169  815.010  167.749  843.631  113.285 -28.62152 202.4179 
1 1 1  -19    8   19 o  554.503  118.984   5.1151   2.0040   5.6675   3.4574   4.8356   2.4594  581.398  175.331  536.521  143.568 44.87708 226.6120 
1 1 1  -19    8   21 o  2126.63   92.266   71.996   6.1440   69.537   10.679   73.213   7.5116  2045.35  168.236  2133.05  112.867 -87.70190 202.5885 
1 1 1  -19    8   23 f  955.852   92.759   14.705   2.7413   16.324   5.0271   14.020   3.2704  978.593  170.242  926.308  115.243 52.28516 205.5801 
1 1 1  -19    8   25 o  475.139  149.744   3.7320   2.4881   0.0000   0.0000   3.7320   2.4881  ?   ?   475.139  149.744 0.000000 149.7444 
1 1 1  -19    8   27 o  781.443  130.782   10.267   3.0870   0.0000   0.0000   10.267   3.0870  ?   ?   781.443  130.782 0.000000 130.7819 
1 1 1  -19    8   29 o  1133.52  113.350   21.123   3.9692   0.0000   0.0000   21.123   3.9692  ?   ?   1133.52  113.350 0.000000 113.3495 
1 1 1  -19    8   31 o  1067.87   90.590   18.457   3.0006   16.942   5.3328   19.159   3.6296  977.597  180.873  1080.52  108.756 -102.9182 211.0523 
1 1 1  -19    8   33 o  4178.45  134.765  289.485   17.632  300.939   30.579  283.780   21.581  4007.71  244.851  4072.07  169.256 -64.35840 297.6573 
1 1 1  -19    8   35 f  2015.53   81.448   65.009   5.1403   65.299   7.3153   64.727   7.2246  1993.69  117.703  1985.69  116.707 7.999878 165.7542 
1 1 1  -19    8   37 o  4873.12  130.751  394.790   19.951  410.805   28.251  378.855   28.180  4826.38  186.934  4611.72  195.147 214.6636 270.2348 
1 1 1  -19    8   39 o  2396.96   85.293   92.649   6.4017   90.991   9.0437   94.314   9.0630  2335.07  124.135  2379.89  122.028 -44.81909 174.0701 
1 1 1  -19    8   41 o  1539.71   93.235   38.754   4.4739   36.183   5.5464   43.542   7.5693  1465.90  121.940  1575.58  155.452 -109.6781 197.5723 
1 1 1  -19    8   43 o  2660.24  104.541  117.210   8.7081  110.321   10.690  130.797   15.013  2531.97  135.326  2665.32  180.963 -133.3530 225.9663 
1 1 1  -19    8   45 o  1392.20   97.890   32.249   4.2402   35.554   5.3322   26.565   6.9931  1442.05  119.156  1163.50  199.107 278.5496 232.0382 
1 1 1  -19    8   47 o  3567.48  129.779  225.462   14.497  222.421   17.786  231.483   25.024  3418.64  166.150  3119.40  258.529 299.2405 307.3153 
1 1 1  -19    8   49 o  1272.45  101.822   28.410   4.0230   27.834   4.8427   29.694   7.2267  1221.91  128.495  1121.24  213.639 100.6675 249.3041 
1 1 1  -19    8   51 o  1060.60  111.793   21.244   3.6567   21.720   4.3751   20.142   6.6604  1026.42  139.761  759.751  245.593 266.6699 282.5757 
1 1 1  -19    8   53 o  1677.94  107.241   55.187   5.6050   50.879   6.8071   64.258   9.8776  1482.64  148.626  1371.84  238.611 110.7954 281.1142 
1 1 1  -19    8   55 f  1481.14  110.487   46.286   5.0873   42.909   6.1395   53.686   9.0875  1274.00  157.238  1002.86  279.137 271.1384 320.3773 
1 1 1  -19    8   57 o  843.475  187.072   25.069   4.8114   25.069   4.8114   0.0000   0.0000  843.475  187.072  ?   ?  0.000000 187.0715 
1 1 1  -19    8   59 o  416.286  172.500   10.794   3.6809   10.794   3.6809   0.0000   0.0000  416.286  172.500  ?   ?  0.000000 172.5003 
1 1 1  -19    9    2 o  1533.46   72.921   37.077   3.5014   34.446   4.9341   39.745   4.9695  1468.09  108.095  1579.50  101.008 -111.4116 147.9430 
1 1 1  -19    9    4 o  371.852  116.425   2.1872   1.5068   2.2285   1.8761   2.1120   2.5290  385.780  130.551  405.438  150.123 -19.65823 198.9485 
1 1 1  -19    9    6 f  1184.01   85.143   22.272   3.1356   24.822   3.8806   17.476   5.3220  1246.93  100.236  1024.13  172.061 222.8066 199.1288 
1 1 1  -19    9    8 o  942.721   86.654   14.170   2.5293   14.634   3.1316   13.301   4.2897  953.802  106.682  894.431  158.990 59.37054 191.4655 
1 1 1  -19    9   10 o  465.754  117.209   3.5940   1.7080   4.1425   2.1405   2.6327   2.8338  499.581  134.046  439.163  159.505 60.41806 208.3515 
1 1 1  -19    9   12 o  1416.58   74.151   31.751   3.2776   32.980   4.6372   30.524   4.6333  1436.71  103.778  1380.73  108.030 55.98193 149.8011 
1 1 1  -19    9   14 o  524.894  105.859   4.5376   1.6798   2.9672   2.3762   6.1065   2.3750  439.277  146.934  606.024  129.111 -166.7465 195.5997 
1 1 1  -19    9   16 o  330.151  115.977   1.5491   1.4851   0.9386   2.1774   2.0802   2.0308  337.521  135.338  382.668  135.500 -45.14679 191.5112 
1 1 1  -19    9   18 o  2081.69   80.253   68.598   5.2311   69.051   7.4582   68.159   7.3389  2073.49  115.329  2060.52  114.193 12.96313 162.2983 
1 1 1  -19    9   20 o  1032.49   80.040   16.990   2.5675   20.014   3.7763   14.390   3.5011  1113.01  109.786  938.395  122.041 174.6172 164.1556 
1 1 1  -19    9   22 o  1662.56   85.409   44.053   4.4313   52.360   7.8626   40.187   5.3644  1786.29  141.736  1578.85  109.179 207.4349 178.9109 
1 1 1  -19    9   24 o  668.834  117.662   7.4297   2.3742   7.2610   4.5453   7.4930   2.7842  646.156  202.195  665.475  138.137 -19.31885 244.8769 
1 1 1  -19    9   26 o  825.811  102.892   11.138   2.6029   15.548   4.8074   9.3089   3.0959  949.674  167.803  741.636  138.407 208.0384 217.5182 
1 1 1  -19    9   28 f  397.228  132.657   2.4950   1.9369   4.0901   3.7884   1.9305   2.2537  512.734  184.693  379.611  141.486 133.1231 232.6586 
1 1 1  -19    9   30 o  1298.63   79.656   26.999   3.2234   32.397   4.7033   22.218   4.4265  1410.75  107.275  1159.29  123.857 251.4591 163.8556 
1 1 1  -19    9   32 o  1697.87   77.856   45.940   4.1392   47.867   5.9181   44.095   5.7914  1714.56  110.826  1644.00  113.193 70.56396 158.4142 
1 1 1  -19    9   34 o  863.716  110.835   12.288   2.9284   12.031   5.3912   12.395   3.4878  808.838  210.746  858.092  134.203 -49.25427 249.8484 
1 1 1  -19    9   36 o  1696.70   90.485   46.404   4.7899   48.487   5.9344   42.509   8.1134  1722.40  110.620  1570.45  167.580 151.9491 200.7977 
1 1 1  -19    9   38 o  1580.50   92.255   40.473   4.5458   41.413   5.6745   38.790   7.5949  1584.09  115.190  1493.59  165.158 90.50000 201.3597 
1 1 1  -19    9   40 f  578.502  132.187   5.8218   2.3421   3.7863   3.0502   8.7462   3.6560  477.008  166.285  693.913  169.677 -216.9055 237.5731 
1 1 1  -19    9   42 o  1094.62   99.322   19.778   3.3672   18.427   4.2342   22.102   5.5539  1035.29  133.742  1111.15  164.606 -75.86316 212.0899 
1 1 1  -19    9   44 o  1702.85   95.756   47.794   5.0850   47.954   6.3311   47.503   8.5360  1680.87  121.100  1612.26  171.726 68.60693 210.1311 
1 1 1  -19    9   46 o  2718.46  107.515  124.860   9.1519  118.724   11.222  137.046   15.814  2585.33  139.138  2639.94  192.632 -54.60425 237.6261 
1 1 1  -19    9   48 o  430.062  159.221   3.4705   2.8447   4.0694   3.4930   2.2910   4.9018  457.065  174.843  429.192  188.715 27.87350 257.2612 
1 1 1  -19    9   50 o  2015.81  104.890   73.443   6.5978   72.727   8.0702   74.887   11.457  1924.76  134.754  1695.71  221.035 229.0513 258.8727 
1 1 1  -19    9   52 o  1940.38  105.994   71.551   6.4156   73.598   7.8162   67.324   11.232  1872.05  134.230  1341.76  276.532 530.2919 307.3889 
1 1 1  -19    9   54 o  3423.46  197.198  358.611   21.050  352.667   25.786  370.482   36.442  2381.67  356.755  ?   ?  0.000000 356.7555 
1 1 1  -19    9   56 o  2023.23  119.602   93.090   7.5434   89.663   9.1970  100.134   13.186  1721.88  172.917  962.757  344.808 759.1190 385.7363 
1 1 1  -19    9   58 o  639.007  200.624   19.238   4.4708   19.238   4.4708   0.0000   0.0000  639.007  200.624  ?   ?  0.000000 200.6241 
1 1 1  -19    9   60 o  299.562  150.037   13.081   5.9886   13.081   5.9886   0.0000   0.0000  299.562  150.037  ?   ?  0.000000 150.0370 
1 1 1  -19   10    1 o  476.135  107.074   3.7427   1.5576   4.3132   2.0918   3.0326   2.3337  509.544  130.523  442.265  145.519 67.27942 195.4796 
1 1 1  -19   10    3 o  1542.87   84.896   37.732   4.0856   38.522   5.0347   36.208   6.9917  1554.26  104.051  1491.35  151.840 62.90784 184.0707 
1 1 1  -19   10    5 o  427.610  121.018   2.9951   1.6933   3.3322   2.1596   2.4570   2.7285  454.447  138.909  428.273  156.365 26.17361 209.1544 
1 1 1  -19   10    7 o  923.766   89.701   13.625   2.5619   14.676   3.2112   11.785   4.2492  954.733  109.390  838.547  167.691 116.1859 200.2159 
1 1 1  -19   10    9 o  1022.64   76.837   16.595   2.4425   16.985   3.4205   16.188   3.4888  1028.17  107.851  1002.18  113.159 25.98688 156.3226 
1 1 1  -19   10   11 o  2417.58   82.052   92.366   6.2114   86.960   8.7608   97.831   8.8078  2330.33  120.475  2477.54  113.535 -147.2075 165.5428 
1 1 1  -19   10   13 o  871.368   81.086   12.102   2.1870   10.322   3.0357   14.023   3.1535  793.657  126.392  932.038  110.186 -138.3812 167.6780 
1 1 1  -19   10   15 o  3040.99   92.054  146.680   8.7654  149.470   12.439  143.927   12.354  3050.09  130.243  2992.03  131.861 58.05249 185.3397 
1 1 1  -19   10   17 o  327.233  117.354   1.4680   1.5279   3.1714   2.3682   0.2534   1.9998  448.674  146.541  299.315  125.814 149.3591 193.1407 
1 1 1  -19   10   19 o  1106.09   90.858   19.567   3.1190   20.879   5.5155   18.950   3.7817  1118.41  162.229  1082.11  113.289 36.30322 197.8706 
1 1 1  -19   10   21 o  2295.42   94.289   83.990   6.7770   85.494   11.745   83.239   8.2975  2268.40  166.525  2271.46  117.059 -3.062256 203.5518 
1 1 1  -19   10   23 o  1338.61   92.688   28.735   3.8611   26.992   7.1001   29.467   4.6009  1253.55  186.572  1349.23  109.857 -95.67908 216.5125 
1 1 1  -19   10   25 o  1298.00   77.024   26.861   3.1165   28.554   4.5566   25.373   4.2720  1325.98  110.759  1249.62  110.311 76.35657 156.3205 
1 1 1  -19   10   27 o  886.306  100.660   12.777   2.7440   12.854   4.8046   12.739   3.3428  854.440  184.946  876.223  125.415 -21.78357 223.4590 
1 1 1  -19   10   29 o  2447.03   85.051   95.566   6.5168  104.578   9.3154   86.929   9.1200  2538.20  117.209  2304.10  126.897 234.0945 172.7450 
1 1 1  -19   10   31 o  2280.21   95.767   83.380   6.8377   86.255   8.4372   77.879   11.671  2302.85  117.398  2138.99  175.812 163.8621 211.4057 
1 1 1  -19   10   33 o  2018.45   93.274   65.307   5.8952   67.397   7.3047   61.404   9.9834  2035.27  115.092  1901.19  169.479 134.0850 204.8641 
1 1 1  -19   10   35 o  2162.31  119.017   76.487   8.0273   76.014   11.584   76.924   11.134  2101.48  177.703  2123.31  168.862 -21.82690 245.1381 
1 1 1  -19   10   37 o  987.871   99.623   15.932   3.0395   17.683   3.8409   12.997   4.9718  1031.52  121.228  846.437  191.999 185.0848 227.0681 
1 1 1  -19   10   39 o  1463.95   94.600   34.827   4.3133   36.431   5.4190   32.056   7.1250  1482.82  117.679  1349.12  172.620 133.7076 208.9169 
1 1 1  -19   10   41 o  1321.61   96.612   28.571   3.9704   29.477   5.0389   27.086   6.4481  1325.45  122.807  1232.47  171.753 92.97168 211.1407 
1 1 1  -19   10   43 o  1326.53   95.565   28.901   3.9429   27.801   4.8941   30.935   6.6558  1281.25  123.519  1314.82  165.322 -33.56885 206.3690 
1 1 1  -19   10   45 o  976.915  115.898   16.319   3.4761   16.615   4.3435   15.791   5.7974  960.713  149.230  877.743  213.079 82.96918 260.1387 
1 1 1  -19   10   47 o  1334.96  103.487   30.536   4.2920   27.388   5.2932   36.579   7.3339  1220.56  141.096  1358.38  176.602 -137.8101 226.0450 
1 1 1  -19   10   49 o  2897.94  116.801  153.059   10.599  162.418   13.028  134.738   18.227  2875.88  145.138  2109.54  283.079 766.3440 318.1173 
1 1 1  -19   10   51 o  3206.33  137.114  210.688   13.766  206.498   16.900  218.951   23.732  2892.54  187.600  2100.16  374.617 792.3816 418.9653 
1 1 1  -19   10   53 o  1614.38  112.054   51.832   5.6293   50.551   6.8872   54.411   9.7707  1473.18  151.462  1156.28  274.051 316.8999 313.1203 
1 1 1  -19   10   55 f  2715.86  133.321  171.849   11.338  170.819   13.880  173.913   19.653  2340.40  191.073  976.668  401.023 1363.734 444.2164 
1 1 1  -19   10   57 o  512.262  185.259   11.511   3.8169   11.511   3.8169   0.0000   0.0000  512.262  185.259  ?   ?  0.000000 185.2589 
1 1 1  -19   10   59 o  392.811  183.105   16.656   5.5126   16.656   5.5126   0.0000   0.0000  392.811  183.105  ?   ?  0.000000 183.1049 
1 1 1  -19   11    2 o  738.956  102.436   8.8254   2.3065   10.197   2.7501   5.5730   4.2352  792.539  114.106  592.026  196.097 200.5123 226.8787 
1 1 1  -19   11    4 o  1153.38   87.306   21.151   3.1297   23.028   3.8289   17.372   5.4326  1200.30  102.870  1019.90  176.499 180.3919 204.2892 
1 1 1  -19   11    6 o  934.188   80.957   13.881   2.3447   11.020   3.2857   16.851   3.3470  819.881  132.507  1024.73  105.835 -204.8511 169.5852 
1 1 1  -19   11    8 o  1028.22   76.733   16.773   2.4527   15.079   3.4002   18.610   3.5415  966.591  114.572  1077.16  106.391 -110.5649 156.3514 
1 1 1  -19   11   10 o  972.708   79.896   15.041   2.4120   16.393   3.3537   13.592   3.4714  1009.80  107.728  914.236  124.502 95.56415 164.6395 
1 1 1  -19   11   12 o  949.490   82.019   14.353   2.4146   12.922   3.4580   15.715   3.3730  889.764  127.783  987.309  111.032 -97.54486 169.2827 
1 1 1  -19   11   14 o  1204.11   75.487   22.983   2.8317   20.922   3.9936   25.066   4.0158  1139.66  113.417  1251.18  103.431 -111.5189 153.4971 
1 1 1  -19   11   16 o  2302.77   94.000   84.213   6.7779   86.215   11.782   83.223   8.2864  2291.12  165.338  2277.76  116.574 13.36475 202.3021 
1 1 1  -19   11   18 f  321.389  123.928   1.1253   1.7643   2.5191   3.2258   0.5305   2.1074  446.601  168.695  316.598  130.801 130.0037 213.4640 
1 1 1  -19   11   20 o  1971.31  115.186   62.626   7.0791   62.309   9.9900   62.946   10.033  1936.90  166.331  1946.94  166.163 -10.04077 235.1093 
1 1 1  -19   11   22 o  1014.96   81.728   16.461   2.5754   18.696   3.6819   14.320   3.6037  1073.30  111.167  932.799  126.655 140.4970 168.5216 
1 1 1  -19   11   24 o  1840.53   90.098   54.026   5.1925   57.551   6.4365   47.456   8.7873  1888.61  109.307  1679.68  169.387 208.9297 201.5935 
1 1 1  -19   11   26 o  873.280  123.687   12.587   3.2876   8.1236   4.9356   16.147   4.4078  680.088  210.352  981.170  148.079 -301.0829 257.2454 
1 1 1  -19   11   28 o  381.907  138.471   2.0367   2.1344  -0.2286   2.8948   4.7353   3.1595  337.672  146.816  532.752  168.833 -195.0798 223.7395 
1 1 1  -19   11   30 o  2164.32   94.011   74.866   6.3711   76.581   7.9029   71.683   10.768  2174.32  116.500  2066.75  167.839 107.5623 204.3093 
1 1 1  -19   11   32 o  1456.80   90.074   34.012   4.0886   38.199   5.1195   26.637   6.7939  1537.05  107.039  1246.35  179.242 290.6947 208.7699 
1 1 1  -19   11   34 f  2267.20   97.035   82.513   6.8887   80.105   8.4948   87.137   11.772  2214.39  122.998  2271.10  166.709 -56.70728 207.1726 
1 1 1  -19   11   36 o  2602.30  124.404  111.009   10.137  121.034   14.460  101.321   14.215  2655.58  174.872  2410.24  189.893 245.3403 258.1464 
1 1 1  -19   11   38 o  2748.70  104.801  122.736   9.0201  117.745   11.062  132.635   15.581  2663.35  132.647  2755.18  181.626 -91.83521 224.9075 
1 1 1  -19   11   40 f  1309.05  101.364   28.029   4.1225   27.346   5.0598   29.377   7.1102  1276.82  128.292  1282.98  182.098 -6.162231 222.7523 
1 1 1  -19   11   42 o  1563.23   96.954   39.951   4.7224   39.278   5.6681   41.479   8.5389  1533.78  118.950  1514.23  183.862 19.54468 218.9851 
1 1 1  -19   11   44 o  1230.06  105.432   25.247   4.0216   24.527   4.9211   26.693   6.9778  1190.04  134.421  1183.97  195.009 6.073120 236.8487 
1 1 1  -19   11   46 o  362.136  149.769   1.4104   2.7669   4.6285   3.3705  -5.2404   4.8455  493.657  174.591  323.452  156.463 170.2043 234.4411 
1 1 1  -19   11   48 o  1556.49  104.235   42.374   5.0508   39.201   6.1735   48.798   8.7838  1441.12  138.516  1501.56  191.154 -60.44373 236.0644 
1 1 1  -19   11   50 o  2965.89  124.638  168.329   11.575  161.513   14.156  182.080   20.107  2713.66  167.414  2377.92  275.125 335.7458 322.0580 
1 1 1  -19   11   52 o  2845.48  129.040  166.008   11.497  162.980   14.115  171.980   19.819  2569.17  176.529  1849.39  355.157 719.7777 396.6098 
1 1 1  -19   11   54 o  3320.75  179.076  303.966   18.552  269.979   22.705  372.235   32.179  2146.93  349.782  1009.97  460.394 1136.956 578.1956 
1 1 1  -19   11   56 o  838.197  342.753  101.969   14.283  101.969   14.283   0.0000   0.0000  838.197  342.753  ?   ?  0.000000 342.7528 
1 1 1  -19   11   58 o  205.010  103.725  -4.8938   3.3092  -4.8938   3.3092   0.0000   0.0000  205.010  103.725  ?   ?  0.000000 103.7248 
1 1 1  -19   12    1 o  1537.58  110.184   37.810   5.2697   37.810   5.2697   0.0000   0.0000  1537.58  110.184  ?   ?  0.000000 110.1844 
1 1 1  -19   12    3 o  443.620  143.298   3.0914   2.2678   3.0914   2.2678   0.0000   0.0000  443.620  143.298  ?   ?  0.000000 143.2980 
1 1 1  -19   12    5 o  1118.10   90.497   19.911   3.1412   18.365   3.8035   23.227   5.5708  1067.70  115.615  1190.83  152.934 -123.1327 191.7171 
1 1 1  -19   12    7 o  1215.11   89.478   23.487   3.3805   20.416   4.0887   30.121   6.0099  1125.74  117.733  1361.61  143.102 -235.8645 185.3081 
1 1 1  -19   12    9 o  1138.88   92.270   20.674   3.2622   15.857   3.9847   30.463   5.6806  986.461  132.341  1372.09  133.928 -385.6271 188.2836 
1 1 1  -19   12   11 o  1365.03   77.052   29.510   3.2799   30.356   4.6170   28.648   4.6603  1377.05  107.940  1336.28  112.424 40.77576 155.8526 
1 1 1  -19   12   13 o  734.737  105.401   8.7582   2.3554   5.7945   3.9278   10.423   2.9434  594.245  188.235  798.631  121.538 -204.3860 224.0625 
1 1 1  -19   12   15 o  1296.42   89.642   26.776   3.6166   18.801   6.2077   30.873   4.4497  1049.59  196.094  1388.80  103.060 -339.2037 221.5265 
1 1 1  -19   12   17 o  766.252  127.880   9.6844   2.9601   8.0711   4.4291   10.987   3.9794  685.650  196.305  806.255  163.225 -120.6047 255.2998 
1 1 1  -19   12   19 o  325.507  135.157   0.5106   2.2663   0.5106   2.2663   0.0000   0.0000  325.507  135.157  ?   ?  0.000000 135.1573 
1 1 1  -19   12   21 o  1106.62   94.773   19.649   3.2523   21.734   4.1340   16.262   5.2684  1157.70  115.586  975.919  179.001 181.7801 213.0766 
1 1 1  -19   12   23 o  884.317   98.625   12.632   2.6844   12.957   3.4442   12.130   4.2847  886.854  127.710  843.151  168.187 43.70221 211.1797 
1 1 1  -19   12   25 o  2289.84   96.560   83.677   6.9234   80.932   8.5201   89.015   11.879  2236.28  122.137  2315.21  164.940 -78.92480 205.2376 
1 1 1  -19   12   27 o  1165.29   91.932   21.756   3.3272   24.146   4.2428   17.938   5.3618  1221.44  112.189  1027.86  172.722 193.5786 205.9591 
1 1 1  -19   12   29 o  1353.46   91.992   29.314   3.8755   31.357   4.8979   25.895   6.3380  1392.40  113.321  1241.08  167.360 151.3199 202.1165 
1 1 1  -19   12   31 o  415.656  146.396   2.5526   2.3674   0.8679   3.0233   5.2232   3.8065  378.122  156.481  563.010  185.880 -184.8883 242.9766 
1 1 1  -19   12   33 o  850.974  115.002   11.890   2.9859   11.788   3.7420   12.067   4.9537  835.033  148.560  826.099  194.692 8.934021 244.8986 
1 1 1  -19   12   35 o  948.553  107.946   14.702   3.1491   14.199   3.8789   15.674   5.3932  919.725  139.030  942.392  189.339 -22.66687 234.9013 
1 1 1  -19   12   37 o  327.236  142.830  -0.2400   2.7625   3.8049   3.8702  -4.4414   3.9444  503.229  185.835  309.754  147.538 193.4748 237.2806 
1 1 1  -19   12   39 o  1113.57  105.576   20.309   3.6373   20.506   4.5562   19.962   6.0397  1104.32  134.544  1055.51  189.715 48.81079 232.5813 
1 1 1  -19   12   41 o  1138.65  105.324   21.323   3.7127   23.694   4.6404   17.106   6.1889  1188.48  126.646  951.589  213.014 236.8869 247.8181 
1 1 1  -19   12   43 o  3081.88  113.416  157.829   10.945  158.782   13.442  155.953   18.853  3043.45  141.049  2861.18  211.945 182.2664 254.5891 
1 1 1  -19   12   45 o  1253.57  106.317   26.557   4.1339   21.378   5.0778   36.737   7.1185  1081.87  154.263  1408.08  164.557 -326.2104 225.5569 
1 1 1  -19   12   47 o  2450.74  106.987  103.949   8.2100  100.302   10.012  111.439   14.346  2333.59  137.622  2267.65  204.231 65.94775 246.2724 
1 1 1  -19   12   49 o  1694.15  105.162   51.257   5.5511   43.918   6.7358   66.795   9.8003  1485.04  146.777  1734.56  183.212 -249.5203 234.7555 
1 1 1  -19   12   51 o  2331.67  113.710  102.916   8.3020   95.817   10.086  117.828   14.619  2101.98  154.324  1985.81  239.972 116.1638 285.3113 
1 1 1  -19   12   53 o  367.908  165.119   3.2154   3.9516   1.6671   5.3547   5.0668   5.8556  352.128  168.848  396.423  186.057 -44.29529 251.2501 
1 1 1  -19   12   55 o  484.695  216.002   15.557   6.6358   15.557   6.6358   0.0000   0.0000  484.695  216.002  ?   ?  0.000000 216.0020 
1 1 1  -19   12   57 o  557.223  249.359   38.442   8.9426   38.442   8.9426   0.0000   0.0000  557.223  249.359  ?   ?  0.000000 249.3585 
1 1 1  -19   13    2 o  473.793  121.587   3.7209   1.8128   6.2129   2.3761   0.2501   2.8042  612.161  128.075  350.368  148.219 261.7925 195.8879 
1 1 1  -19   13    4 o  955.447  112.923   14.732   3.3130   14.732   3.3130   0.0000   0.0000  955.447  112.923  ?   ?  0.000000 112.9229 
1 1 1  -19   13    6 o  1608.61   89.281   41.078   4.4794   39.695   5.4664   43.903   7.8152  1575.16  111.552  1641.62  153.830 -66.46069 190.0198 
1 1 1  -19   13    8 o  1838.10   90.900   53.506   5.2318   49.340   6.4031   61.874   9.0745  1754.82  117.205  1952.56  149.561 -197.7399 190.0143 
1 1 1  -19   13   10 o  907.763  183.663   13.952   5.0412   13.952   5.0412   0.0000   0.0000  907.763  183.663  ?   ?  0.000000 183.6626 
1 1 1  -19   13   12 o  1663.57  161.270   45.375   8.2951   45.375   8.2951   0.0000   0.0000  1663.57  161.270  ?   ?  0.000000 161.2699 
1 1 1  -19   13   14 o  813.631  137.530   10.937   3.3789   10.937   3.3789   0.0000   0.0000  813.631  137.530  ?   ?  0.000000 137.5301 
1 1 1  -19   13   16 o  1851.35  112.868   54.971   6.5118   54.971   6.5118   0.0000   0.0000  1851.35  112.868  ?   ?  0.000000 112.8682 
1 1 1  -19   13   18 o  1203.98  116.068   23.416   4.3215   23.416   4.3215   0.0000   0.0000  1203.98  116.068  ?   ?  0.000000 116.0678 
1 1 1  -19   13   20 o  619.004  157.099   6.4937   3.0501   6.4937   3.0501   0.0000   0.0000  619.004  157.099  ?   ?  0.000000 157.0989 
1 1 1  -19   13   22 f  827.725  139.388   11.369   3.4843   11.369   3.4843   0.0000   0.0000  827.725  139.388  ?   ?  0.000000 139.3877 
1 1 1  -19   13   24 o  381.979  132.990   2.1364   1.9507   4.2111   2.5585  -0.7440   3.0147  504.485  150.534  333.059  147.152 171.4262 210.5097 
1 1 1  -19   13   26 o  1195.11   96.715   22.875   3.5882   22.419   4.5300   23.645   5.8786  1174.26  125.129  1192.16  161.647 -17.89465 204.4187 
1 1 1  -19   13   28 o  1055.74   98.203   17.906   3.2091   21.029   4.0328   12.513   5.2990  1139.89  114.537  846.915  202.550 292.9732 232.6912 
1 1 1  -19   13   30 o  650.864  136.581   7.1130   2.6948   8.0606   3.3727   5.4401   4.4812  687.584  159.708  584.091  201.669 103.4940 257.2486 
1 1 1  -19   13   32 o  2154.54   97.195   74.180   6.5572   75.189   8.1140   72.282   11.133  2154.26  120.775  2076.10  172.821 78.16406 210.8400 
1 1 1  -19   13   34 o  679.049  140.120   7.8119   2.8805   7.7364   3.6503   7.9365   4.6896  666.571  173.283  671.631  204.572 -5.060669 268.0976 
1 1 1  -19   13   36 o  3664.73  122.904  218.929   14.103  219.032   17.318  218.725   24.303  3627.11  152.479  3503.98  222.663 123.1284 269.8678 
1 1 1  -19   13   38 o  1907.20   96.584   58.687   5.7491   55.395   7.0647   65.142   9.8921  1835.56  123.635  1957.80  162.841 -122.2378 204.4574 
1 1 1  -19   13   40 o  2327.75  101.111   87.820   7.3697   85.505   9.0380   92.414   12.731  2271.13  127.607  2302.48  177.967 -31.35205 218.9887 
1 1 1  -19   13   42 o  949.597  118.683   15.151   3.4519   13.485   4.2810   18.247   5.8361  869.872  163.165  991.324  194.962 -121.4517 254.2298 
1 1 1  -19   13   44 o  592.175  158.707   6.5164   3.0026   3.6652   3.7193   11.852   5.0880  473.222  180.561  764.330  207.336 -291.1082 274.9376 
1 1 1  -19   13   46 o  1537.07  101.411   40.217   4.8535   41.526   5.9574   37.632   8.3695  1530.22  125.436  1333.82  207.111 196.4005 242.1341 
1 1 1  -19   13   48 o  721.165  178.686   11.284   4.0143   11.284   4.0143   0.0000   0.0000  721.165  178.686  ?   ?  0.000000 178.6857 
1 1 1  -19   13   50 o  918.543  247.240   25.538   7.2682   25.538   7.2682   0.0000   0.0000  918.543  247.240  ?   ?  0.000000 247.2395 
1 1 1  -19   13   52 f  1465.28  265.377   73.948   11.728   73.948   11.728   0.0000   0.0000  1465.28  265.377  ?   ?  0.000000 265.3772 
1 1 1  -19   13   54 f  957.268  283.028   44.113   9.0757   44.113   9.0757   0.0000   0.0000  957.268  283.028  ?   ?  0.000000 283.0277 
1 1 1  -19   13   56 o  1965.29  183.401  117.856   11.156  117.856   11.156   0.0000   0.0000  1965.29  183.401  ?   ?  0.000000 183.4011 
1 1 1  -19   14    1 o  647.059  188.576   7.0177   4.0548   7.0177   4.0548   0.0000   0.0000  647.059  188.576  ?   ?  0.000000 188.5759 
1 1 1  -19   14    3 o  446.227  150.436   3.0258   2.4911   3.0258   2.4911   0.0000   0.0000  446.227  150.436  ?   ?  0.000000 150.4360 
1 1 1  -19   14    5 o  2002.29   92.317   63.479   5.7880   64.585   7.0928   61.276   10.014  2011.01  113.098  1936.51  166.770 74.50220 201.5028 
1 1 1  -19   14    7 o  400.321  152.546   1.8647   2.6525   1.3084   3.6998   2.4530   3.8048  428.509  174.747  468.893  181.660 -40.38477 252.0648 
1 1 1  -19   14    9 o  1702.84  112.686   46.378   5.9745   43.872   8.4321   48.903   8.4663  1635.54  166.991  1731.62  157.880 -96.08533 229.8087 
1 1 1  -19   14   11 o  918.499  104.433   13.574   2.9501   12.227   3.6364   16.168   5.0460  861.969  139.494  984.112  169.891 -122.1432 219.8216 
1 1 1  -19   14   13 o  648.963  154.793   7.0816   3.1014   7.0816   3.1014   0.0000   0.0000  648.963  154.793  ?   ?  0.000000 154.7931 
1 1 1  -19   14   15 o  1568.70  112.355   39.434   5.4823   39.434   5.4823   0.0000   0.0000  1568.70  112.355  ?   ?  0.000000 112.3555 
1 1 1  -19   14   17 o  1324.74  164.938   28.978   6.6936   28.978   6.6936   0.0000   0.0000  1324.74  164.938  ?   ?  0.000000 164.9378 
1 1 1  -19   14   19 o  1254.49  115.952   25.340   4.5032   25.340   4.5032   0.0000   0.0000  1254.49  115.952  ?   ?  0.000000 115.9517 
1 1 1  -19   14   21 o  1011.69  126.119   16.643   3.9085   16.643   3.9085   0.0000   0.0000  1011.69  126.119  ?   ?  0.000000 126.1193 
1 1 1  -19   14   23 o  1447.81  112.899   33.642   5.0778   33.642   5.0778   0.0000   0.0000  1447.81  112.899  ?   ?  0.000000 112.8992 
1 1 1  -19   14   25 o  2162.28  119.656   75.048   8.0700   75.048   8.0700   0.0000   0.0000  2162.28  119.656  ?   ?  0.000000 119.6562 
1 1 1  -19   14   27 o  478.725  162.808   3.5196   2.9179   3.5196   2.9179   0.0000   0.0000  478.725  162.808  ?   ?  0.000000 162.8082 
1 1 1  -19   14   29 o  2362.70  122.948   89.968   9.0645   89.968   9.0645   0.0000   0.0000  2362.70  122.948  ?   ?  0.000000 122.9481 
1 1 1  -19   14   31 o  3175.08  139.337  163.877   13.853  163.877   13.853   0.0000   0.0000  3175.08  139.337  ?   ?  0.000000 139.3370 
1 1 1  -19   14   33 o  1338.30  122.268   29.173   5.0671   29.173   5.0671   0.0000   0.0000  1338.30  122.268  ?   ?  0.000000 122.2683 
1 1 1  -19   14   35 f  507.739  175.189   4.0765   3.3814   4.0765   3.3814   0.0000   0.0000  507.739  175.189  ?   ?  0.000000 175.1887 
1 1 1  -19   14   37 o  1214.20  126.816   24.294   4.7504   24.294   4.7504   0.0000   0.0000  1214.20  126.816  ?   ?  0.000000 126.8165 
1 1 1  -19   14   39 o  1858.89  121.365   56.758   7.0254   56.758   7.0254   0.0000   0.0000  1858.89  121.365  ?   ?  0.000000 121.3646 
1 1 1  -19   14   41 f  1310.46  128.303   28.802   5.1972   28.802   5.1972   0.0000   0.0000  1310.46  128.303  ?   ?  0.000000 128.3035 
1 1 1  -19   14   43 o  2231.38  127.971   84.868   8.9040   84.868   8.9040   0.0000   0.0000  2231.38  127.971  ?   ?  0.000000 127.9711 
1 1 1  -19   14   45 o  1114.53  142.728   22.512   4.8666   22.512   4.8666   0.0000   0.0000  1114.53  142.728  ?   ?  0.000000 142.7278 
1 1 1  -19   14   47 o  500.289  213.101   5.1496   5.8646   5.1496   5.8646   0.0000   0.0000  500.289  213.101  ?   ?  0.000000 213.1012 
1 1 1  -19   14   49 o  693.224  240.187   14.669   6.3592   14.669   6.3592   0.0000   0.0000  693.224  240.187  ?   ?  0.000000 240.1870 
1 1 1  -19   14   51 o  1664.30  139.527   56.530   7.2041   56.530   7.2041   0.0000   0.0000  1664.30  139.527  ?   ?  0.000000 139.5265 
1 1 1  -19   14   53 o  510.396  191.856   8.3298   4.1612   8.3298   4.1612   0.0000   0.0000  510.396  191.856  ?   ?  0.000000 191.8560 
1 1 1  -19   14   55 o  1488.24  159.219   56.015   7.3046   56.015   7.3046   0.0000   0.0000  1488.24  159.219  ?   ?  0.000000 159.2187 
1 1 1  -19   15    2 o  308.672  132.177  -0.0514   2.2778  -0.9491   2.6469   2.5113   4.4722  306.684  136.565  497.058  195.681 -190.3746 238.6230 
1 1 1  -19   15    4 o  1192.77  120.150   22.869   4.4263   26.950   6.1631   18.521   6.3612  1285.00  156.398  1047.46  201.260 237.5389 254.8837 
1 1 1  -19   15    6 o  1090.07  125.378   19.187   4.2016   17.915   5.9581   20.445   5.9259  1032.83  191.276  1110.17  176.368 -77.33887 260.1769 
1 1 1  -19   15    8 o  1282.50   91.846   26.144   3.6640   21.522   4.3767   36.971   6.6988  1155.79  122.816  1511.76  143.221 -355.9635 188.6690 
1 1 1  -19   15   10 o  1416.46   93.473   31.883   4.1225   32.739   5.0682   30.209   7.0870  1430.32  114.113  1355.49  170.763 74.83252 205.3818 
1 1 1  -19   15   12 o  697.881  120.236   7.9709   2.5326   5.4616   3.0593   13.436   4.5147  573.459  162.791  897.895  166.717 -324.4360 233.0143 
1 1 1  -19   15   14 o  2049.65   94.664   66.513   6.0755   66.861   7.4207   65.808   10.581  2046.08  116.306  2007.72  169.906 38.35364 205.9010 
1 1 1  -19   15   16 o  1588.73  113.910   40.361   5.6291   40.361   5.6291   0.0000   0.0000  1588.73  113.910  ?   ?  0.000000 113.9103 
1 1 1  -19   15   18 o  653.787  126.172   7.0459   2.4894   7.9359   3.0034   5.0926   4.4496  690.921  143.516  579.239  200.901 111.6816 246.8972 
1 1 1  -19   15   20 o  1037.51  100.827   17.226   3.2342   14.910   3.9786   21.737   5.5530  955.530  136.886  1150.31  158.368 -194.7849 209.3277 
1 1 1  -19   15   22 o  1106.96   97.902   19.572   3.3585   16.689   4.0705   25.720   5.9439  1013.15  131.404  1253.59  154.707 -240.4382 202.9810 
1 1 1  -19   15   24 o  1070.81  183.721   19.234   5.9383   19.234   5.9383   0.0000   0.0000  1070.81  183.721  ?   ?  0.000000 183.7209 
1 1 1  -19   15   26 o  687.724  159.166   7.9678   3.3597   7.9678   3.3597   0.0000   0.0000  687.724  159.166  ?   ?  0.000000 159.1660 
1 1 1  -19   15   28 o  1941.88  117.375   60.547   7.1035   60.547   7.1035   0.0000   0.0000  1941.88  117.375  ?   ?  0.000000 117.3753 
1 1 1  -19   15   30 o  3153.21  136.078  160.762   13.436  160.762   13.436   0.0000   0.0000  3153.21  136.078  ?   ?  0.000000 136.0781 
1 1 1  -19   15   32 o  1557.87  118.740   39.245   5.7486   39.245   5.7486   0.0000   0.0000  1557.87  118.740  ?   ?  0.000000 118.7404 
1 1 1  -19   15   34 o  1352.00  122.517   29.750   5.1303   29.750   5.1303   0.0000   0.0000  1352.00  122.517  ?   ?  0.000000 122.5166 
1 1 1  -19   15   36 o  1393.15  121.757   31.660   5.2580   31.660   5.2580   0.0000   0.0000  1393.15  121.757  ?   ?  0.000000 121.7566 
1 1 1  -19   15   38 o  948.813  210.038   16.283   6.0753   16.283   6.0753   0.0000   0.0000  948.813  210.038  ?   ?  0.000000 210.0383 
1 1 1  -19   15   40 o  1054.28  141.330   18.869   4.5481   18.869   4.5481   0.0000   0.0000  1054.28  141.330  ?   ?  0.000000 141.3297 
1 1 1  -19   15   42 o  2428.31  130.676  100.083   9.8996  100.083   9.8996   0.0000   0.0000  2428.31  130.676  ?   ?  0.000000 130.6764 
1 1 1  -19   15   44 o  1352.15  193.057   35.746   7.9418   35.746   7.9418   0.0000   0.0000  1352.15  193.057  ?   ?  0.000000 193.0566 
1 1 1  -19   15   46 o  498.951  209.853   4.5887   5.5689   4.5887   5.5689   0.0000   0.0000  498.951  209.853  ?   ?  0.000000 209.8529 
1 1 1  -19   15   48 o  1508.86  135.962   42.859   6.3547   42.859   6.3547   0.0000   0.0000  1508.86  135.962  ?   ?  0.000000 135.9625 
1 1 1  -19   15   50 o  378.992  168.219   1.9122   3.9842   1.9122   3.9842   0.0000   0.0000  378.992  168.219  ?   ?  0.000000 168.2195 
1 1 1  -19   15   52 o  439.808  183.842   5.2716   4.2331   5.2716   4.2331   0.0000   0.0000  439.808  183.842  ?   ?  0.000000 183.8425 
1 1 1  -19   15   54 o  1431.21  341.950  110.417   15.115  110.417   15.115   0.0000   0.0000  1431.21  341.950  ?   ?  0.000000 341.9502 
1 1 1  -19   16    1 o  810.977  216.132   11.129   5.5878   0.0000   0.0000   11.129   5.5878  ?   ?   810.977  216.132 0.000000 216.1321 
1 1 1  -19   16    3 o  541.083  169.641   4.6834   3.1978   4.0425   4.2731   5.4992   4.8210  541.313  195.979  604.837  209.156 -63.52435 286.6248 
1 1 1  -19   16    5 o  569.233  145.609   5.3741   2.6058   5.5745   3.0160   4.7838   5.1753  580.432  160.541  589.776  215.349 -9.344360 268.6052 
1 1 1  -19   16    7 o  473.340  148.466   3.5583   2.4490   0.7999   2.8364   11.639   4.8546  371.585  152.435  831.565  190.528 -459.9799 244.0028 
1 1 1  -19   16    9 o  726.911  127.107   8.6413   2.7878   9.3393   3.3522   7.0762   5.0199  751.751  147.680  662.459  213.116 89.29285 259.2832 
1 1 1  -19   16   11 o  560.006  139.290   5.2011   2.4323   5.3987   2.8063   4.6044   4.8770  570.650  153.640  575.849  209.234 -5.199219 259.5844 
1 1 1  -19   16   13 o  1052.22  105.144   17.701   3.4179   14.993   4.1162   23.711   6.1335  959.143  141.288  1202.84  167.384 -243.7020 219.0426 
1 1 1  -19   16   15 o  277.274  122.667  -0.6514   2.1017  -0.5170   2.4107  -1.0774   4.2907  303.321  132.880  398.219  175.767 -94.89795 220.3432 
1 1 1  -19   16   17 o  851.681  115.527   11.719   3.0014   9.0043   3.5841   18.093   5.4913  734.794  160.287  1045.59  173.827 -310.7993 236.4481 
1 1 1  -19   16   19 o  510.805  150.679   4.2598   2.5750   6.5682   3.1974   0.0000   4.3435  627.033  161.776  424.996  182.269 202.0370 243.7077 
1 1 1  -19   16   21 o  1228.83   99.304   24.060   3.7883   25.434   4.6806   21.449   6.4504  1258.70  120.219  1134.31  188.205 124.3881 223.3244 
1 1 1  -19   16   23 f  835.205  146.417   11.509   3.6895   10.562   5.2190   12.455   5.2166  786.604  208.518  855.602  198.547 -68.99750 287.9249 
1 1 1  -19   16   25 o  317.917  134.704   0.1511   2.3220   2.9951   2.8263  -5.7547   4.0728  454.811  159.980  304.530  146.350 150.2808 216.8225 
1 1 1  -19   16   27 o  1971.15   95.533   61.632   5.8965   65.275   7.2414   54.465   10.158  2019.61  114.984  1814.95  181.160 204.6503 214.5700 
1 1 1  -19   16   29 o  2228.25   97.696   78.904   6.8165   73.730   8.3597   89.169   11.775  2140.39  125.280  2333.73  162.140 -193.3364 204.9007 
1 1 1  -19   16   31 o  2148.07   98.108   73.437   6.5989   71.704   8.1078   76.836   11.358  2109.37  123.290  2157.01  169.524 -47.64258 209.6160 
1 1 1  -19   16   33 o  1126.79  107.483   20.479   3.7463   21.440   4.6144   18.621   6.4167  1145.24  131.036  1035.76  205.104 109.4803 243.3885 
1 1 1  -19   16   35 o  2641.11  104.478  111.716   8.6403  107.454   10.597  120.167   14.923  2570.03  132.133  2676.89  179.068 -106.8628 222.5405 
1 1 1  -19   16   37 o  2136.07   99.436   73.210   6.6509   72.693   8.1587   74.235   11.483  2111.20  123.961  2091.04  177.039 20.16138 216.1229 
1 1 1  -19   16   39 o  1706.58  180.040   50.748   9.4757   50.748   9.4757   0.0000   0.0000  1706.58  180.040  ?   ?  0.000000 180.0403 
1 1 1  -19   16   41 o  560.037  217.070   5.1141   5.4345   5.1141   5.4345   0.0000   0.0000  560.037  217.070  ?   ?  0.000000 217.0695 
1 1 1  -19   16   43 o  945.600  228.002   18.716   6.6723   18.716   6.6723   0.0000   0.0000  945.600  228.002  ?   ?  0.000000 228.0024 
1 1 1  -19   16   45 o  1543.26  134.050   42.488   6.4134   42.488   6.4134   0.0000   0.0000  1543.26  134.050  ?   ?  0.000000 134.0500 
1 1 1  -19   16   47 o  1936.42  133.867   68.746   8.0670   68.746   8.0670   0.0000   0.0000  1936.42  133.867  ?   ?  0.000000 133.8667 
1 1 1  -19   16   49 o  718.387  196.984   12.216   4.5636   12.216   4.5636   0.0000   0.0000  718.387  196.984  ?   ?  0.000000 196.9836 
1 1 1  -19   16   51 o  2097.61  145.001   89.903   9.4654   89.903   9.4654   0.0000   0.0000  2097.61  145.001  ?   ?  0.000000 145.0009 
1 1 1  -19   16   53 o  1412.66  151.936   44.291   6.6150   44.291   6.6150   0.0000   0.0000  1412.66  151.936  ?   ?  0.000000 151.9358 
1 1 1  -19   17    2 o  611.321  148.448   6.1900   2.8132   4.3625   3.2993   11.058   5.3847  529.989  172.960  810.860  210.301 -280.8712 272.2895 
1 1 1  -19   17    4 o  396.923  158.579   1.2998   2.9776  -3.6503   3.7264   10.043   4.9523  318.453  149.130  773.791  202.167 -455.3382 251.2192 
1 1 1  -19   17    6 o  808.022  122.586   10.576   3.0042   14.571   3.5317   0.1144   5.7144  951.486  121.298  489.899  209.555 461.5872 242.1290 
1 1 1  -19   17    8 f  917.027  112.760   13.502   3.1696   11.719   3.7989   17.586   5.7500  845.425  148.945  1030.54  184.991 -185.1118 237.4999 
1 1 1  -19   17   10 o  374.314  143.332   1.5380   2.3489   3.1994   2.7331  -3.1564   4.5943  463.714  157.570  374.539  171.941 89.17511 233.2212 
1 1 1  -19   17   12 o  585.694  145.120   5.6829   2.6478   6.5146   3.1566   3.7081   4.8637  626.211  160.301  549.076  207.203 77.13519 261.9727 
1 1 1  -19   17   14 o  1327.76   97.425   27.984   4.0222   30.555   4.8730   22.488   7.1247  1384.50  113.401  1161.83  203.245 222.6644 232.7413 
1 1 1  -19   17   16 f  885.258  116.816   12.632   3.1590   13.662   3.7355   10.046   5.9190  917.344  133.999  774.443  228.452 142.9009 264.8513 
1 1 1  -19   17   18 o  1161.46  105.203   21.517   3.7845   25.079   4.5603   13.636   6.7832  1251.91  117.716  892.982  238.198 358.9268 265.6978 
1 1 1  -19   17   20 o  1698.28   95.792   45.723   5.0732   43.427   6.2169   50.300   8.7769  1648.75  121.273  1762.34  160.822 -113.5901 201.4223 
1 1 1  -19   17   22 o  2643.93  126.766  111.387   10.495  100.717   14.768  122.275   14.917  2479.96  191.660  2743.81  174.530 -263.8489 259.2184 
1 1 1  -19   17   24 o  2524.79  101.636  101.031   8.0351  105.662   9.8691   91.927   13.838  2574.96  122.402  2367.10  188.258 207.8557 224.5516 
1 1 1  -19   17   26 o  1439.25  123.423   33.294   5.5084   33.515   7.6079   33.051   7.9859  1426.28  173.954  1411.72  185.120 14.56042 254.0266 
1 1 1  -19   17   28 o  1479.06  120.633   35.161   5.5382   43.410   7.7829   26.700   7.8826  1631.80  154.146  1254.96  207.872 376.8442 258.7888 
1 1 1  -19   17   30 o  1441.04  122.249   33.465   5.4641   33.710   7.6098   33.204   7.8508  1426.09  174.025  1411.70  181.830 14.38562 251.6882 
1 1 1  -19   17   32 o  1608.46  121.182   41.703   6.0585   37.046   8.3531   46.871   8.8004  1488.38  183.095  1683.68  169.217 -195.3080 249.3150 
1 1 1  -19   17   34 o  1265.68  133.861   26.188   5.2246   24.393   7.2547   28.123   7.5305  1190.26  201.865  1284.37  193.232 -94.11389 279.4424 
1 1 1  -19   17   36 o  1826.87  124.862   54.357   7.0998   59.895   9.9733   48.666   10.109  1887.31  170.607  1682.00  195.598 205.3080 259.5487 
1 1 1  -19   17   38 o  1579.95  127.203   41.218   6.2397   37.273   8.9617   44.930   8.6930  1446.17  203.535  1614.23  174.775 -168.0637 268.2772 
1 1 1  -19   17   40 o  308.284  144.882  -3.0507   3.5707   1.0994   4.9449  -7.5727   5.1616  451.229  194.025  325.432  158.378 125.7963 250.4580 
1 1 1  -19   17   42 o  1059.42  154.978   20.035   4.9890   11.004   6.7405   30.976   7.4194  715.258  247.314  1283.48  190.384 -568.2231 312.1059 
1 1 1  -19   17   44 o  1251.83  147.794   28.284   5.6815   19.358   7.6473   39.282   8.4879  906.578  257.389  1408.60  197.898 -502.0277 324.6729 
1 1 1  -19   17   46 o  1960.63  133.920   69.228   8.1725   55.960   11.232   84.152   11.913  1569.06  235.919  2037.16  188.908 -468.1003 302.2312 
1 1 1  -19   17   48 o  1391.37  148.843   37.248   6.3841   36.904   8.6768   37.655   9.4267  1236.50  232.643  1196.36  259.137 40.13867 348.2446 
1 1 1  -19   17   50 o  1205.10  166.149   30.591   6.1029   22.486   8.1762   40.787   9.1706  799.344  272.529  1216.56  249.123 -417.2124 369.2347 
1 1 1  -19   17   52 o  661.635  185.140   11.004   3.9866   11.071   4.6093   10.806   7.9424  622.061  204.504  506.608  230.080 115.4538 307.8289 
1 1 1  -19   18    1 o  308.200  143.062  -2.8410   3.3094  -0.5121   4.7633  -5.0141   4.6012  435.764  188.896  345.926  163.152 89.83826 249.6001 
1 1 1  -19   18    3 o  991.025  137.992   15.878   4.1659   15.216   5.3642   16.883   6.6127  958.538  185.428  1003.20  216.835 -44.65771 285.3079 
1 1 1  -19   18    5 o  960.198  117.006   14.790   3.4452   15.234   4.0648   13.656   6.4920  970.432  137.625  899.614  229.673 70.81744 267.7507 
1 1 1  -19   18    7 o  717.507  136.060   8.4326   2.9450   6.9576   3.3403   13.581   6.2407  647.774  164.403  897.624  223.023 -249.8506 277.0701 
1 1 1  -19   18    9 o  1550.91  118.702   38.278   5.7207   38.278   5.7207   0.0000   0.0000  1550.91  118.702  ?   ?  0.000000 118.7017 
1 1 1  -19   18   11 o  733.726  132.613   8.7973   2.9346   8.3474   3.4451   9.9871   5.6023  709.668  158.980  773.738  220.520 -64.06995 271.8526 
1 1 1  -19   18   13 o  404.936  152.240   1.9526   2.6204   0.5852   3.0908   5.4474   4.9413  379.338  157.701  607.781  211.660 -228.4431 263.9497 
1 1 1  -19   18   15 o  854.101  163.885   12.047   4.2235   13.640   5.7449   10.173   6.2306  900.136  208.001  782.380  235.243 117.7556 314.0125 
1 1 1  -19   18   17 f  369.689  169.610  -3.0319   4.4612  -3.0319   4.4612   0.0000   0.0000  369.689  169.610  ?   ?  0.000000 169.6103 
1 1 1  -19   18   19 o  465.435  177.133   2.5219   3.5736   8.0119   4.6257  -5.6053   5.6281  694.201  201.158  387.384  182.004 306.8174 271.2746 
1 1 1  -19   18   23 o  2601.45  128.333  107.812   10.454  111.508   14.754  104.087   14.814  2617.84  181.104  2524.73  188.750 93.10938 261.5820 
1 1 1  -19   18   25 o  2004.97  124.376   64.279   7.7698   69.796   10.915   58.612   11.063  2071.37  169.782  1888.21  189.673 183.1616 254.5620 
1 1 1  -19   18   27 o  3905.38  156.393  245.931   19.125  255.369   27.024  236.461   27.069  3918.06  221.175  3759.78  231.051 158.2751 319.8482 
1 1 1  -19   18   29 o  1454.34  126.449   34.051   5.7010   23.767   7.8125   45.764   8.3380  1179.29  219.652  1674.36  161.022 -495.0679 272.3512 
1 1 1  -19   18   31 o  5416.06  201.517  486.883   34.175  522.230   48.344  451.574   48.318  5453.80  284.076  5021.98  308.765 431.8193 419.5648 
1 1 1  -19   18   33 o  945.571  166.502   15.042   4.7498   22.242   6.4605   6.5726   7.0071  1145.58  186.520  667.873  249.372 477.7100 311.4098 
1 1 1  -19   18   35 o  1274.75  139.946   26.799   5.4941   23.246   7.6183   30.649   7.9309  1145.04  220.480  1334.08  195.670 -189.0460 294.7854 
1 1 1  -19   18   37 o  1542.16  132.268   39.336   6.3252   39.435   8.8149   39.231   9.0815  1501.78  191.838  1491.84  199.399 9.938110 276.6975 
1 1 1  -19   18   39 o  903.920  176.868   14.622   4.8268   15.449   6.9274   13.843   6.7292  883.513  242.873  836.094  242.720 47.41901 343.3661 
1 1 1  -19   18   41 o  484.760  191.387   3.3735   4.2895   6.6123   5.7390  -0.7263   6.4570  600.517  225.393  458.701  207.987 141.8163 306.6931 
1 1 1  -19   18   43 o  1200.09  155.650   25.972   5.7112   27.355   7.7181   24.297   8.4908  1160.66  220.430  1039.16  261.231 121.4963 341.8056 
1 1 1  -19   18   45 o  741.642  207.371   11.724   5.0034   5.5531   6.7124   19.439   7.5057  546.109  230.077  899.152  254.896 -353.0426 343.3768 
1 1 1  -19   18   47 o  1920.41  138.618   67.649   8.2795   61.941   11.362   74.110   12.089  1658.35  224.590  1838.28  214.034 -179.9288 310.2437 
1 1 1  -19   18   49 o  381.216  173.200   0.6830   4.5064   4.5546   5.7638  -5.4056   7.2281  474.933  206.829  373.237  182.875 101.6956 276.0828 
1 1 1  -19   18   51 o  2259.35  154.827  105.715   10.887   99.933   14.882  112.373   15.970  1810.18  270.876  1899.56  276.611 -89.37964 387.1530 
1 1 1  -19   19    2 o  538.037  214.415   2.5560   5.4305   0.0000   0.0000   2.5560   5.4305  ?   ?   538.037  214.415 0.000000 214.4146 
1 1 1  -19   19    4 o  387.778  151.880   1.4378   2.6819  -0.5429   3.1252   6.9724   5.2240  349.199  152.180  666.611  217.644 -317.4119 265.5704 
1 1 1  -19   19    6 o  378.865  157.970   0.5110   3.1143   0.5110   3.1143   0.0000   0.0000  378.865  157.970  ?   ?  0.000000 157.9696 
1 1 1  -19   19    8 o  472.899  185.908   2.1435   4.0313   8.3201   5.2418  -6.7989   6.3071  713.753  216.031  404.636  190.895 309.1174 288.2888 
1 1 1  -19   19   10 o  1226.42  139.133   24.168   5.2485   23.759   7.2692   24.613   7.5858  1199.91  200.553  1220.18  205.874 -20.26733 287.4112 
1 1 1  -19   19   12 o  623.202  186.212   6.3198   3.9130   1.8537   4.9318   13.909   6.4288  500.338  202.600  908.107  226.771 -407.7690 304.0923 
1 1 1  -19   19   14 o  1270.02  191.126   26.483   7.3651   26.483   7.3651   0.0000   0.0000  1270.02  191.126  ?   ?  0.000000 191.1256 
1 1 1  -19   19   16 o  1426.89  130.144   32.565   5.7508   32.535   7.8764   32.600   8.4162  1412.11  182.394  1409.25  196.037 2.864746 267.7645 
1 1 1  -19   19   18 o  871.365  171.644   12.579   4.5166   12.338   6.0623   12.880   6.7713  854.326  223.905  871.925  240.299 -17.59894 328.4464 
1 1 1  -19   19   20 o  928.583  235.265   14.689   6.8487   0.0000   0.0000   14.689   6.8487  ?   ?   928.583  235.265 0.000000 235.2651 
1 1 1  -19   19   22 o  1635.80  125.618   42.753   6.3851   40.262   8.6986   45.663   9.4023  1570.55  180.139  1672.86  182.456 -102.3143 256.3988 
1 1 1  -19   19   24 o  2169.61  125.871   75.103   8.5144   82.533   11.823   67.097   12.272  2258.49  168.396  2023.27  196.169 235.2183 258.5331 
1 1 1  -19   19   26 o  1018.29  159.203   17.037   4.9100   21.410   6.5416   11.395   7.4307  1133.72  191.065  822.906  258.694 310.8112 321.6031 
1 1 1  -19   19   28 o  2349.40  128.274   88.347   9.4008   92.656   13.174   83.878   13.419  2382.59  177.870  2259.03  191.504 123.5662 261.3648 
1 1 1  -19   19   30 o  3276.23  205.706  178.309   20.996  178.309   20.996   0.0000   0.0000  3276.23  205.706  ?   ?  0.000000 205.7058 
1 1 1  -19   19   32 o  1635.77  133.669   43.381   6.7867   47.766   9.2464   38.259   9.9927  1695.98  176.708  1492.67  220.429 203.3154 282.5150 
1 1 1  -19   19   34 o  796.290  227.193   11.345   5.9431   11.345   5.9431   0.0000   0.0000  796.290  227.193  ?   ?  0.000000 227.1928 
1 1 1  -19   19   36 o  1527.53  133.161   38.524   6.3055   37.180   8.5343   40.139   9.3569  1462.11  190.974  1510.49  202.969 -48.38403 278.6891 
1 1 1  -19   19   38 o  465.257  190.080   2.2033   4.3877   5.8840   5.8278  -2.6132   6.6666  600.636  226.776  450.636  206.966 150.0005 307.0215 
1 1 1  -19   19   40 o  1376.43  148.152   32.673   6.2847   29.558   8.4072   36.619   9.4617  1239.01  224.988  1379.29  226.973 -140.2855 319.5873 
1 1 1  -19   19   42 o  1658.05  141.515   47.722   7.2768   41.853   10.159   53.908   10.428  1440.97  233.106  1682.12  202.033 -241.1448 308.4731 
1 1 1  -19   19   44 o  2161.41  137.771   82.067   9.2756   85.724   12.839   78.073   13.416  2092.89  198.272  1945.08  224.392 147.8130 299.4392 
1 1 1  -19   19   46 f  636.904  218.462   9.1236   5.2544   11.303   6.6606   5.5327   8.5501  677.277  244.760  553.271  245.962 124.0057 346.9933 
1 1 1  -19   19   48 o  645.717  218.121   10.124   5.2370   8.3713   6.8303   12.625   8.1579  572.691  235.930  646.437  260.986 -73.74561 351.8192 
1 1 1  -19   19   50 o  1088.38  194.778   26.659   6.3943   25.822   8.2453   27.921   10.128  914.238  269.617  834.948  301.808 79.28973 404.6990 
1 1 1  -19   20    1 f  1404.52  210.325   32.379   8.9653   0.0000   0.0000   32.379   8.9653  ?   ?   1404.52  210.325 0.000000 210.3252 
1 1 1  -19   20    5 f  419.125  193.458  -4.5104   5.9275   0.0000   0.0000  -4.5104   5.9275  ?   ?   419.125  193.458 0.000000 193.4585 
1 1 1  -19   20    7 o  916.363  244.306   14.126   7.1379   0.0000   0.0000   14.126   7.1379  ?   ?   916.363  244.306 0.000000 244.3057 
1 1 1  -19   20    9 o  796.363  243.176   10.394   6.6204   0.0000   0.0000   10.394   6.6204  ?   ?   796.363  243.176 0.000000 243.1763 
1 1 1  -19   20   11 o  867.068  180.108   12.450   4.7301   9.5767   6.3939   15.923   7.0301  768.035  239.728  972.212  233.798 -204.1767 334.8594 
1 1 1  -19   20   13 o  1495.54  185.514   36.352   8.5009   36.352   8.5009   0.0000   0.0000  1495.54  185.514  ?   ?  0.000000 185.5136 
1 1 1  -19   20   15 o  1151.93  153.082   21.473   5.3849   20.161   7.1491   23.192   8.1866  1099.23  215.409  1176.51  230.469 -77.27563 315.4632 
1 1 1  -19   20   17 o  459.115  193.260   0.5648   4.7295   0.5648   4.7295   0.0000   0.0000  459.115  193.260  ?   ?  0.000000 193.2602 
1 1 1  -19   20   19 o  497.675  217.767  -1.0584   6.4576   0.0000   0.0000  -1.0584   6.4576  ?   ?   497.675  217.767 0.000000 217.7666 
1 1 1  -19   20   21 o  423.302  178.112   0.4768   4.0145  -2.7938   5.0057   6.3716   6.7204  401.792  182.547  675.167  245.570 -273.3750 305.9865 
1 1 1  -19   20   23 o  1401.69  142.231   31.610   6.1561   37.560   8.3988   24.703   9.0498  1517.62  180.266  1204.39  248.223 313.2256 306.7744 
1 1 1  -19   20   25 o  2095.59  130.137   70.135   8.4971   70.211   11.816   70.053   12.228  2076.78  183.593  2071.35  190.674 5.427979 264.6946 
1 1 1  -19   20   27 o  3200.04  142.089  163.880   14.237  163.589   20.060  164.176   20.211  3155.36  204.125  3160.13  205.362 -4.768799 289.5518 
1 1 1  -19   20   29 o  661.549  209.031   7.2194   4.8459   6.4860   6.4574   8.1648   7.3320  663.779  240.825  725.041  257.388 -61.26208 352.4843 
1 1 1  -19   20   31 o  1536.83  193.733   39.698   9.1156   39.698   9.1156   0.0000   0.0000  1536.83  193.733  ?   ?  0.000000 193.7326 
1 1 1  -19   20   33 o  1654.20  134.976   44.679   6.9304   53.989   9.4003   33.593   10.258  1799.30  168.822  1367.45  248.733 431.8445 300.6146 
1 1 1  -19   20   35 o  359.564  166.489  -3.0372   4.4413  -8.3946   5.8499   4.2521   6.8237  354.077  171.438  593.037  238.951 -238.9597 294.0888 
1 1 1  -19   20   37 o  2099.35  135.781   73.221   8.8779   83.924   12.034   60.438   13.151  2206.41  175.635  1803.45  238.750 402.9528 296.3941 
1 1 1  -19   20   39 o  1127.31  168.886   22.352   5.7780   23.024   7.7418   21.506   8.6812  1092.66  233.369  1022.38  267.933 70.28302 355.3160 
1 1 1  -19   20   41 o  1382.96  152.842   33.391   6.5080   29.445   8.7428   38.295   9.7462  1214.07  238.488  1397.40  230.797 -183.3259 331.8792 
1 1 1  -19   20   43 o  345.270  163.034  -3.5093   4.6193  -0.3716   5.8420  -8.7439   7.5455  438.795  198.499  392.257  191.029 46.53735 275.4879 
1 1 1  -19   20   45 o  400.345  184.084  -1.1294   5.2951   0.3781   6.7729  -3.4994   8.4923  463.968  211.390  455.564  216.849 8.404266 302.8351 
1 1 1  -19   20   47 o  420.955  190.450   0.6208   5.3796   6.3299   7.0397  -7.3926   8.3402  550.605  233.980  403.121  197.288 147.4836 306.0543 
1 1 1  -19   21    2 f  978.780  202.478   15.882   6.0008   23.468   8.2037   7.1520   8.8007  1188.33  228.774  746.550  279.327 441.7803 361.0559 
1 1 1  -19   21    4 o  1007.06  192.953   16.725   5.8630   16.594   8.0728   16.872   8.5290  992.691  257.515  1000.47  267.207 -7.779114 371.0980 
1 1 1  -19   21    6 o  433.092  199.725  -4.7278   6.2966   0.0000   0.0000  -4.7278   6.2966  ?   ?   433.092  199.725 0.000000 199.7253 
1 1 1  -19   21    8 o  385.405  182.974  -7.1852   5.9697   0.0000   0.0000  -7.1852   5.9697  ?   ?   385.405  182.974 0.000000 182.9738 
1 1 1  -19   21   10 f  706.807  247.744   7.3019   6.7750   0.0000   0.0000   7.3019   6.7750  ?   ?   706.807  247.744 0.000000 247.7442 
1 1 1  -19   21   14 o  624.007  252.632   3.0325   7.6669   0.0000   0.0000   3.0325   7.6669  ?   ?   624.007  252.632 0.000000 252.6317 
1 1 1  -19   21   16 o  1066.71  250.214   19.240   8.2130   0.0000   0.0000   19.240   8.2130  ?   ?   1066.71  250.214 0.000000 250.2136 
1 1 1  -19   21   18 o  910.514  187.589   13.755   5.1703   10.717   6.8982   17.650   7.8102  807.914  248.483  1021.00  246.987 -213.0833 350.3516 
1 1 1  -19   21   20 o  1960.66  133.424   61.249   8.1426   64.058   11.088   57.960   11.997  1991.56  179.735  1884.31  206.723 107.2551 273.9330 
1 1 1  -19   21   22 o  1546.16  141.303   38.334   6.7654   39.104   9.0581   37.363   10.174  1547.02  191.051  1500.43  223.371 46.58862 293.9305 
1 1 1  -19   21   24 o  1930.80  127.229   59.474   7.6489   52.953   11.053   65.465   10.596  1796.77  199.853  2011.95  169.771 -215.1744 262.2279 
1 1 1  -19   21   26 o  1483.56  137.977   35.439   6.3361   32.206   8.4332   39.629   9.6014  1393.03  198.992  1545.93  203.276 -152.8981 284.4622 
1 1 1  -19   21   28 o  2072.85  133.138   69.069   8.5957   58.033   11.829   81.415   12.512  1865.55  205.934  2227.46  180.955 -361.9034 274.1419 
1 1 1  -19   21   30 o  1493.57  149.334   36.474   6.8903   36.559   9.1863   36.364   10.418  1468.64  205.378  1446.41  238.339 22.23096 314.6196 
1 1 1  -19   21   32 o  1219.25  224.759   26.134   8.2646   26.134   8.2646   0.0000   0.0000  1219.25  224.759  ?   ?  0.000000 224.7590 
1 1 1  -19   21   34 o  1416.53  155.269   33.520   6.7741   32.880   9.0326   34.342   10.241  1362.70  219.113  1372.33  247.417 -9.630249 330.4927 
1 1 1  -19   21   36 o  1230.17  215.979   27.285   8.0159   27.285   8.0159   0.0000   0.0000  1230.17  215.979  ?   ?  0.000000 215.9785 
1 1 1  -19   21   38 o  596.807  215.748   6.0278   5.1758   5.3855   6.7219   6.9632   8.1120  603.232  239.131  659.609  262.310 -56.37701 354.9511 
1 1 1  -19   21   40 o  1095.08  247.692   23.930   8.2945   23.930   8.2945   0.0000   0.0000  1095.08  247.692  ?   ?  0.000000 247.6922 
1 1 1  -19   21   42 o  720.121  223.597   10.420   5.5706   8.8928   7.2171   12.671   8.7616  666.894  252.225  754.212  279.393 -87.31763 376.4007 
1 1 1  -19   21   44 o  792.767  228.989   13.331   6.0028   12.810   7.5383   14.235   9.9239  744.954  261.315  750.197  292.620 -5.243042 392.3163 
1 1 1  -19   21   46 o  591.972  229.144   7.5015   6.0498   3.4193   7.6884   14.138   9.8032  522.419  232.681  711.910  286.561 -189.4910 369.1310 
1 1 1  -19   22    1 o  1267.36  199.999   26.255   7.6735   28.049   10.643   24.312   11.074  1291.48  271.784  1196.15  297.025 95.33020 402.6046 
1 1 1  -19   22    5 o  952.322  229.021   15.148   6.7456   28.353   9.6209   2.3806   9.4605  1306.29  244.192  667.698  276.602 638.5873 368.9695 
1 1 1  -19   22    7 o  907.381  285.735   13.381   9.0611   13.381   9.0611   0.0000   0.0000  907.381  285.735  ?   ?  0.000000 285.7351 
1 1 1  -19   22    9 o  868.659  289.609   11.837   9.2321   11.837   9.2321   0.0000   0.0000  868.659  289.609  ?   ?  0.000000 289.6095 
1 1 1  -19   22   11 o  669.657  257.579   5.0776   7.6070   5.0776   7.6070   0.0000   0.0000  669.657  257.579  ?   ?  0.000000 257.5788 
1 1 1  -19   22   13 o  743.348  220.566   9.0336   5.5043   6.1671   7.4160   12.550   8.2134  690.985  256.831  875.865  271.431 -184.8793 373.6799 
1 1 1  -19   22   15 o  1163.53  256.179   22.827   9.0807   0.0000   0.0000   22.827   9.0807  ?   ?   1163.53  256.179 0.000000 256.1792 
1 1 1  -19   22   17 o  987.672  268.754   16.518   8.5332   0.0000   0.0000   16.518   8.5332  ?   ?   987.672  268.754 0.000000 268.7543 
1 1 1  -19   22   21 o  781.866  283.654   8.8169   8.9582   0.0000   0.0000   8.8169   8.9582  ?   ?   781.866  283.654 0.000000 283.6536 
1 1 1  -19   22   23 f  775.853  244.205   9.9246   6.6194   0.0000   0.0000   9.9246   6.6194  ?   ?   775.853  244.205 0.000000 244.2050 
1 1 1  -19   22   25 o  540.424  221.302   2.0934   5.9648   0.0000   0.0000   2.0934   5.9648  ?   ?   540.424  221.302 0.000000 221.3022 
1 1 1  -19   22   27 o  1696.23  131.812   46.310   6.9460   52.845   10.112   40.473   9.5572  1790.97  182.888  1557.21  200.675 233.7593 271.5117 
1 1 1  -19   22   29 o  877.149  185.953   13.108   4.9488   21.196   6.8495   4.2758   7.1579  1113.98  203.879  619.399  246.377 494.5829 319.7940 
1 1 1  -19   22   31 o  980.221  189.061   16.471   5.5926   8.1900   7.7715   25.365   8.0542  719.518  263.715  1205.32  221.569 -485.8046 344.4388 
1 1 1  -19   22   33 o  498.834  219.970  -0.5576   6.7048  -0.5576   6.7048   0.0000   0.0000  498.834  219.970  ?   ?  0.000000 219.9699 
1 1 1  -19   22   35 o  1019.49  204.157   18.457   6.2900   22.621   8.1034   12.146   9.9765  1107.79  240.509  812.334  298.632 295.4554 383.4393 
1 1 1  -19   22   37 o  523.483  215.070   2.8107   5.6566  -2.7119   7.0797   12.560   9.4066  467.915  214.304  804.649  290.858 -336.7334 361.2819 
1 1 1  -19   22   39 o  303.934  150.046 -10.0889   5.1760  -9.8772   6.3337 -10.5146   8.9808  353.759  172.875  438.535  212.352 -84.77667 273.8234 
1 1 1  -19   22   41 o  1215.26  188.858   26.876   6.9532   29.528   8.9201   22.768   11.100  1223.33  241.440  981.686  317.022 241.6494 398.4928 
1 1 1  -19   22   43 o  867.115  232.324   15.461   6.4353   23.517   8.1093   1.7586   10.576  1059.88  248.639  577.813  263.605 482.0695 362.3654 
1 1 1  -19   23    4 o  788.166  314.547   5.8500   11.702   5.8500   11.702   0.0000   0.0000  788.166  314.547  ?   ?  0.000000 314.5467 
1 1 1  -19   23    6 o  1424.54  297.383   34.329   12.837   34.329   12.837   0.0000   0.0000  1424.54  297.383  ?   ?  0.000000 297.3834 
1 1 1  -19   23    8 o  440.634  204.086  -5.4220   6.6806   6.4708   9.1561 -18.9613   9.7693  740.527  283.123  431.779  211.773 308.7473 353.5626 
1 1 1  -19   23   12 o  886.785  278.107   12.822   8.5936   12.822   8.5936   0.0000   0.0000  886.785  278.107  ?   ?  0.000000 278.1069 
1 1 1  -19   23   16 f  675.743  227.205   6.9983   5.6820  -1.1455   7.4912   18.030   8.7190  537.663  234.925  1030.18  267.812 -492.5127 356.2487 
1 1 1  -19   23   18 f  610.860  218.394   5.2577   5.2876  -0.6590   7.2056   12.161   7.7835  534.432  231.998  856.910  264.012 -322.4789 351.4617 
1 1 1  -19   23   20 o  1254.79  170.890   25.670   6.5397   26.967   8.6938   23.980   9.9251  1268.78  227.173  1180.08  273.881 88.70203 355.8347 
1 1 1  -19   23   22 o  770.007  261.639   9.3920   7.5356   0.0000   0.0000   9.3920   7.5356  ?   ?   770.007  261.639 0.000000 261.6393 
1 1 1  -19   23   26 o  299.397  148.596 -12.4382   5.3307   0.0000   0.0000 -12.4382   5.3307  ?   ?   299.397  148.596 0.000000 148.5958 
1 1 1  -19   23   28 o  842.998  250.394   12.432   7.0909   0.0000   0.0000   12.432   7.0909  ?   ?   842.998  250.394 0.000000 250.3938 
1 1 1  -19   23   30 o  1134.82  231.956   22.613   7.9640   0.0000   0.0000   22.613   7.9640  ?   ?   1134.82  231.956 0.000000 231.9556 
1 1 1  -19   23   34 o  1522.82  144.263   38.305   6.7969   33.999   9.4257   42.969   9.8103  1384.41  225.175  1574.99  203.698 -190.5763 303.6386 
1 1 1  -19   23   36 o  353.119  171.795  -9.3121   6.0598  -9.3121   6.0598   0.0000   0.0000  353.119  171.795  ?   ?  0.000000 171.7946 
1 1 1  -19   23   38 o  965.650  272.537   18.601   8.6003   18.601   8.6003   0.0000   0.0000  965.650  272.537  ?   ?  0.000000 272.5371 
1 1 1  -19   23   40 o  1019.69  269.845   21.282   8.7500   21.282   8.7500   0.0000   0.0000  1019.69  269.845  ?   ?  0.000000 269.8455 
1 1 1  -19   23   42 o  935.414  238.449   17.613   7.0051   23.045   8.7277   7.7782   11.744  1045.89  265.911  686.800  297.161 359.0870 398.7644 
1 1 1  -19   24    1 o  632.591  250.950   3.7498   7.4078   1.0394   10.935   6.0488   10.071  685.730  291.511  751.177  294.286 -65.44757 414.2264 
1 1 1  -19   24    5 o  556.837  256.920  -7.5180   10.439  -7.5180   10.439   0.0000   0.0000  556.837  256.920  ?   ?  0.000000 256.9201 
1 1 1  -19   24    7 o  1242.89  303.293   26.412   11.699   26.412   11.699   0.0000   0.0000  1242.89  303.293  ?   ?  0.000000 303.2931 
1 1 1  -19   24    9 o  569.171  251.516  -2.2149   8.8112  -2.2149   8.8112   0.0000   0.0000  569.171  251.516  ?   ?  0.000000 251.5163 
1 1 1  -19   24   13 o  788.491  287.027   8.7408   9.1837   8.7408   9.1837   0.0000   0.0000  788.491  287.027  ?   ?  0.000000 287.0268 
1 1 1  -19   24   15 o  401.686  187.964  -5.6095   5.9005 -12.5725   8.2734   1.5983   8.4175  425.454  205.464  617.471  258.762 -192.0164 330.4141 
1 1 1  -19   24   19 o  1258.62  260.616   27.063   9.9329   27.063   9.9329   0.0000   0.0000  1258.62  260.616  ?   ?  0.000000 260.6164 
1 1 1  -19   24   21 o  881.102  225.417   13.210   6.2445   14.457   8.4506   11.711   9.2678  919.147  273.425  851.689  290.153 67.45801 398.6849 
1 1 1  -19   24   23 o  740.638  231.529   9.0971   5.9615   11.080   8.0045   6.6269   8.9333  818.701  269.512  723.629  278.911 95.07208 387.8507 
1 1 1  -19   24   25 o  712.649  230.629   8.3440   5.8722   19.054   7.8770  -5.0539   8.8103  1047.25  244.629  519.560  238.364 527.6946 341.5569 
1 1 1  -19   24   27 o  790.245  237.607   10.721   6.3565   3.5226   10.530   14.847   7.9728  692.598  289.774  917.691  263.563 -225.0923 391.7067 
1 1 1  -19   24   29 o  962.314  312.283   16.827   10.761   16.827   10.761   0.0000   0.0000  962.314  312.283  ?   ?  0.000000 312.2826 
1 1 1  -19   24   31 o  503.133  221.296  -0.6802   6.7450   0.0000   0.0000  -0.6802   6.7450  ?   ?   503.133  221.296 0.000000 221.2955 
1 1 1  -19   24   33 o  925.815  273.245   15.909   8.4657   0.0000   0.0000   15.909   8.4657  ?   ?   925.815  273.245 0.000000 273.2448 
1 1 1  -19   24   35 o  788.296  266.025   11.264   7.7898   0.0000   0.0000   11.264   7.7898  ?   ?   788.296  266.025 0.000000 266.0251 
1 1 1  -19   24   37 o  1297.68  240.998   31.033   9.4321   0.0000   0.0000   31.033   9.4321  ?   ?   1297.68  240.998 0.000000 240.9979 
1 1 1  -19   24   39 o  730.262  275.565   9.7061   8.6022   0.0000   0.0000   9.7061   8.6022  ?   ?   730.262  275.565 0.000000 275.5654 
1 1 1  -19   25    2 o  473.723  214.583  -3.5624   6.8531 -12.1983   9.8064   4.6812   9.5811  486.246  231.886  711.041  284.323 -224.7943 366.8926 
1 1 1  -19   25    4 o  966.933  253.221   15.772   7.7576   19.158   11.118   12.560   10.829  1062.39  313.021  903.017  313.405 159.3752 442.9499 
1 1 1  -19   25    6 o  600.721  244.773   2.5503   7.2516  -0.1799   10.872   4.7388   9.7334  664.501  286.711  716.281  286.518 -51.78021 405.3343 
1 1 1  -19   25   10 f  609.371  263.876  -0.5394   9.2759  -0.5394   9.2759   0.0000   0.0000  609.371  263.876  ?   ?  0.000000 263.8759 
1 1 1  -19   25   12 o  753.226  296.006   6.1303   10.217   6.1303   10.217   0.0000   0.0000  753.226  296.006  ?   ?  0.000000 296.0062 
1 1 1  -19   25   14 o  986.015  292.667   16.490   9.6898   16.490   9.6898   0.0000   0.0000  986.015  292.667  ?   ?  0.000000 292.6665 
1 1 1  -19   25   18 o  813.289  281.915   10.287   8.7612   10.287   8.7612   0.0000   0.0000  813.289  281.915  ?   ?  0.000000 281.9155 
1 1 1  -19   25   20 o  1994.20  149.812   63.873   9.2864   68.374   12.974   59.145   13.298  2041.55  205.764  1886.80  229.824 154.7483 308.4763 
1 1 1  -19   25   22 o  800.324  245.704   10.740   6.7482   4.8699   9.5011   16.716   9.5863  702.292  282.315  980.828  291.091 -278.5356 405.5072 
1 1 1  -19   25   24 o  771.265  239.803   9.9642   6.4049   11.207   8.6960   8.4911   9.4690  827.515  281.063  773.433  289.670 54.08215 403.6156 
1 1 1  -19   25   26 o  895.059  239.856   13.902   6.8585   17.942   9.6415   9.7645   9.7584  1004.13  290.256  802.062  295.276 202.0667 414.0482 
1 1 1  -19   25   28 o  933.891  251.213   15.366   7.5065   27.348   11.478   6.4108   9.9227  1224.81  301.343  730.157  290.193 494.6551 418.3530 
1 1 1  -19   25   30 o  443.884  207.610  -5.9587   7.1834  -4.8571   10.775  -6.8399   9.6376  577.301  264.395  520.304  242.391 56.99713 358.6893 
1 1 1  -19   25   32 f  1057.05  234.470   19.804   7.5575   22.298   11.650   17.992   9.9304  1079.53  321.020  982.922  297.311 96.60779 437.5474 
1 1 1  -19   25   34 o  990.059  290.200   18.573   9.5781   18.573   9.5781   0.0000   0.0000  990.059  290.200  ?   ?  0.000000 290.2004 
1 1 1  -19   25   36 o  1847.87  225.792   60.421   12.793   60.421   12.793   0.0000   0.0000  1847.87  225.792  ?   ?  0.000000 225.7922 
1 1 1  -19   26    1 o  742.033  263.746   7.9775   7.7010   12.745   11.270   3.8021   10.547  911.976  319.542  719.410  294.400 192.5663 434.4867 
1 1 1  -19   26    3 o  944.079  258.901   15.019   7.8829  -2.6821   11.532   30.547   10.800  648.813  287.171  1345.97  265.697 -697.1614 391.2315 
1 1 1  -19   26    5 o  729.423  267.376   7.2478   7.9891   14.469   12.413   2.1411   10.438  963.592  335.477  688.229  288.272 275.3634 442.3178 
1 1 1  -19   26    7 o  559.258  239.024   0.1929   7.4233  -7.7766   10.807   7.3134   10.215  564.809  260.882  778.260  298.687 -213.4509 396.5768 
1 1 1  -19   26    9 o  706.624  261.969   6.5982   7.7059   13.642   11.553   0.9522   10.343  934.724  323.740  665.654  283.259 269.0703 430.1664 
1 1 1  -19   26   11 o  872.836  272.331   12.543   8.2522   19.552   11.641   5.4631   11.700  1070.72  321.461  775.309  312.715 295.4100 448.4723 
1 1 1  -19   26   13 o  426.932  208.763 -16.9668   9.2796 -16.9668   9.2796   0.0000   0.0000  426.932  208.763  ?   ?  0.000000 208.7632 
1 1 1  -19   26   17 o  760.430  299.531   6.3801   10.484   6.3801   10.484   0.0000   0.0000  760.430  299.531  ?   ?  0.000000 299.5312 
1 1 1  -19   26   19 o  628.896  271.629  -0.0001   9.7782  -0.0001   9.7782   0.0000   0.0000  628.896  271.629  ?   ?  0.000000 271.6289 
1 1 1  -19   26   21 o  612.413  262.328   0.5909   8.9775   0.5909   8.9775   0.0000   0.0000  612.413  262.328  ?   ?  0.000000 262.3278 
1 1 1  -19   26   23 f  992.378  304.722   17.137   10.379   17.137   10.379   0.0000   0.0000  992.378  304.722  ?   ?  0.000000 304.7222 
1 1 1  -19   26   25 o  1020.58  293.584   18.403   9.8854   18.403   9.8854   0.0000   0.0000  1020.58  293.584  ?   ?  0.000000 293.5836 
1 1 1  -19   26   27 o  517.829  229.631  -1.6373   7.4075   10.070   11.582  -9.7401   9.6357  835.200  318.645  494.997  234.260 340.2037 395.4900 
1 1 1  -19   26   29 o  864.390  327.155   11.520   12.148   11.520   12.148   0.0000   0.0000  864.390  327.155  ?   ?  0.000000 327.1549 
1 1 1  -19   26   31 o  1029.67  264.044   19.064   8.5538   31.168   12.706   9.0338   11.567  1290.68  316.764  802.053  315.039 488.6232 446.7541 
1 1 1  -19   26   33 o  624.095  253.161   4.0755   7.7152   2.2267   11.873   5.4267   10.150  689.838  298.630  704.263  288.575 -14.42468 415.2773 
1 1 1  -19   27    2 o  621.369  258.636   1.8622   8.3279   9.5471   13.087  -3.3673   10.796  878.214  337.837  617.824  275.406 260.3905 435.8696 
1 1 1  -19   27    4 o  454.740  215.315  -9.2239   8.1600 -25.2228   13.399   0.2079   10.288  506.356  248.282  653.360  280.370 -147.0047 374.5013 
1 1 1  -19   27    6 o  840.220  278.846   11.167   8.5622   18.472   13.116   5.7436   11.303  1056.59  344.862  773.169  308.936 283.4196 463.0030 
1 1 1  -19   27    8 o  787.724  329.188   3.4039   13.567   3.4039   13.567   0.0000   0.0000  787.724  329.188  ?   ?  0.000000 329.1879 
1 1 1  -19   27   10 o  1043.06  268.037   18.479   8.8016   19.821   13.579   17.507   11.558  1087.00  350.596  1023.34  322.773 63.66077 476.5507 
1 1 1  -19   27   12 o  480.677  220.906  -5.1987   7.6118 -19.8757   11.065   7.9847   10.487  467.606  228.507  796.729  303.389 -329.1228 379.8164 
1 1 1  -19   27   14 o  632.438  277.476  -1.5849   10.546   0.0000   0.0000  -1.5849   10.546  ?   ?   632.438  277.476 0.000000 277.4756 
1 1 1  -19   27   16 o  511.340  229.482  -3.0350   7.6316   9.3551   11.097 -14.1524   10.512  833.485  313.309  491.805  236.022 341.6797 392.2615 
1 1 1  -19   27   18 f  908.827  268.076   13.950   8.1505   14.981   10.634   12.481   12.691  950.482  310.525  918.770  336.955 31.71204 458.2189 
1 1 1  -19   27   20 o  728.942  299.307   4.1467   10.948   4.1467   10.948   0.0000   0.0000  728.942  299.307  ?   ?  0.000000 299.3070 
1 1 1  -19   27   22 o  609.101  252.654   2.2160   7.9078   12.370   10.823  -9.4116   11.582  886.354  312.925  566.744  264.592 319.6102 409.7941 
1 1 1  -19   27   24 o  1094.35  318.516   21.231   11.575   21.231   11.575   0.0000   0.0000  1094.35  318.516  ?   ?  0.000000 318.5157 
1 1 1  -19   27   26 o  560.491  252.120  -3.2316   9.2707  -3.2316   9.2707   0.0000   0.0000  560.491  252.120  ?   ?  0.000000 252.1199 
1 1 1  -19   27   28 o  766.312  315.918   5.4823   12.257   5.4823   12.257   0.0000   0.0000  766.312  315.918  ?   ?  0.000000 315.9181 
1 1 1  -19   27   30 o  677.734  301.231  -1.3415   12.818  -1.3415   12.818   0.0000   0.0000  677.734  301.231  ?   ?  0.000000 301.2306 
1 1 1  -19   28    1 o  655.670  271.580   2.3697   9.1181  -6.2379   15.469   6.9528   11.287  718.227  324.127  796.273  311.666 -78.04614 449.6598 
1 1 1  -19   28    3 o  721.336  274.652   6.2726   8.5941   15.613   15.071   1.7713   10.462  1020.90  368.288  684.349  287.720 336.5463 467.3532 
1 1 1  -19   28    5 o  544.703  246.347  -4.3884   8.9914  -3.1915   15.187  -5.0344   11.157  744.229  329.473  609.024  275.018 135.2045 429.1706 
1 1 1  -19   28    7 o  631.330  294.189 -11.6597   14.211 -11.6597   14.211   0.0000   0.0000  631.330  294.189  ?   ?  0.000000 294.1885 
1 1 1  -19   28    9 o  1087.14  279.210   20.085   9.5544   45.289   15.805   5.5708   11.994  1626.67  321.702  786.764  316.870 839.9048 451.5511 
1 1 1  -19   28   11 o  557.852  248.530  -2.8605   8.7779 -16.0998   14.207   5.3136   11.164  592.898  281.714  762.283  306.164 -169.3853 416.0523 
1 1 1  -19   28   13 f  1065.31  326.617   19.211   11.929   0.0000   0.0000   19.211   11.929  ?   ?   1065.31  326.617 0.000000 326.6166 
1 1 1  -19   28   15 o  525.941  237.025  -3.6609   8.2391 -10.9138   11.500   3.9890   11.810  554.538  260.417  753.102  310.243 -198.5636 405.0526 
1 1 1  -19   28   17 o  602.104  254.166   1.1214   8.2174  -6.9090   12.339   7.5219   11.016  620.317  283.668  796.615  308.969 -176.2986 419.4393 
1 1 1  -19   28   19 o  649.868  294.462  -5.6170   12.916   0.0000   0.0000  -5.6170   12.916  ?   ?   649.868  294.462 0.000000 294.4616 
1 1 1  -19   28   21 o  868.914  278.638   12.469   8.5863   5.7384   11.082   22.578   13.581  760.780  305.228  1135.49  348.560 -374.7054 463.3122 
1 1 1  -19   28   23 o  470.151  218.911  -6.5135   7.8443  -1.5646   10.218 -13.6163   12.241  617.839  272.046  548.860  260.997 68.97906 376.9987 
1 1 1  -19   28   25 o  499.376  228.495  -4.6648   8.0221  -7.2492   10.171  -0.4106   13.049  543.045  251.624  708.609  309.828 -165.5637 399.1338 
1 1 1  -19   28   27 o  848.739  273.653   12.132   8.2733   14.037   10.811   9.4390   12.853  916.106  313.368  849.309  332.536 66.79620 456.9245 
1 1 1  -19   29    2 o  565.351  261.539  -8.2605   10.924   0.0000   0.0000  -8.2605   10.924  ?   ?   565.351  261.539 0.000000 261.5394 
1 1 1  -19   29    4 o  1172.51  271.300   23.221   9.7629   38.773   15.871   13.754   12.383  1498.68  345.306  952.780  334.880 545.9002 481.0209 
1 1 1  -19   29    6 o  1005.80  376.539   13.928   15.997   13.928   15.997   0.0000   0.0000  1005.80  376.539  ?   ?  0.000000 376.5393 
1 1 1  -19   29    8 o  1040.77  281.950   18.304   9.4163   34.062   14.875   7.7673   12.164  1403.85  341.637  831.136  324.025 572.7154 470.8585 
1 1 1  -19   29   10 o  485.090  228.695  -9.5188   9.0239   2.4640   15.341 -15.8588   11.159  818.168  346.426  501.956  241.476 316.2113 422.2809 
1 1 1  -19   29   12 o  701.373  300.668   0.4493   11.810   0.0000   0.0000   0.4493   11.810  ?   ?   701.373  300.668 0.000000 300.6685 
1 1 1  -19   29   14 f  805.041  280.822   9.7258   8.7000  -5.6364   14.300   18.753   10.962  692.619  312.193  1052.27  311.036 -359.6491 440.6899 
1 1 1  -19   29   16 o  517.443  234.288  -4.0772   8.1597  -5.9077   11.883  -2.4438   11.225  619.478  281.372  642.409  283.881 -22.93054 399.6983 
1 1 1  -19   29   18 o  639.165  294.855  -9.0812   13.740   0.0000   0.0000  -9.0812   13.740  ?   ?   639.165  294.855 0.000000 294.8550 
1 1 1  -19   29   20 o  416.676  203.466 -15.6066   8.7246 -10.4502   12.088 -21.2142   12.605  575.883  269.336  505.816  246.457 70.06653 365.0795 
1 1 1  -19   30    7 o  527.155  249.930 -12.6454   11.065   0.0000   0.0000 -12.6454   11.065  ?   ?   527.155  249.930 0.000000 249.9302 
1 1 1  -19   30    9 o  522.436  238.789  -5.4219   8.7298 -20.6328   13.488   5.5445   11.452  540.286  261.274  776.464  310.719 -236.1779 405.9688 
1 1 1  -18    0    2 o  970.300  101.981   15.289   3.0201   15.289   3.0201   15.289   3.0201  970.300  101.981  970.300  101.981 -0.000000 0.000000 
1 1 1  -18    0    4 o  1291.85  101.100   26.719   4.0320   26.719   4.0320   26.719   4.0320  1291.85  101.100  1291.85  101.100 -0.000000 0.000000 
1 1 1  -18    0    6 f  429.192  150.839   3.8061   1.8387   3.8061   1.8387   3.8061   1.8387  429.192  150.839  429.192  150.839 -0.000000 0.000000 
1 1 1  -18    0    8 o  1097.35  102.271   19.421   3.4439   19.421   3.4439   19.421   3.4439  1097.35  102.271  1097.35  102.271 -0.000000 0.000000 
1 1 1  -18    0   10 o  1725.01  104.862   47.325   5.6161   47.325   5.6161   47.325   5.6161  1725.01  104.862  1725.01  104.862 -0.000000 0.000000 
1 1 1  -18    0   12 o  724.231  115.206   8.8546   2.4145   8.8546   2.4145   8.8546   2.4145  724.231  115.206  724.231  115.206 -0.000000 0.000000 
1 1 1  -18    0   14 o  421.534  183.039   4.0290   2.4988   4.0290   2.4988   4.0290   2.4988  421.534  183.039  421.534  183.039 -0.000000 0.000000 
1 1 1  -18    0   16 o  134.057   91.821  -0.8104   1.2278  -0.8104   1.2278  -0.8104   1.2278  134.057   91.821  134.057   91.821 -0.000000 0.000000 
1 1 1  -18    0   18 o  1736.93  105.344   48.074   5.6811   48.074   5.6811   48.074   5.6811  1736.93  105.344  1736.93  105.344 -0.000000 0.000000 
1 1 1  -18    0   20 o  1772.37  107.496   50.109   5.9154   50.109   5.9154   50.109   5.9154  1772.37  107.496  1772.37  107.496 -0.000000 0.000000 
1 1 1  -18    0   22 o  1823.34  109.622   53.082   6.2069   53.082   6.2069   53.082   6.2069  1823.34  109.622  1823.34  109.622 -0.000000 0.000000 
1 1 1  -18    0   24 o  799.118  114.493   10.689   2.6944   10.689   2.6944   10.689   2.6944  799.118  114.493  799.118  114.493 -0.000000 0.000000 
1 1 1  -18    0   26 o  1562.15  105.609   39.075   5.1116   39.075   5.1116   39.075   5.1116  1562.15  105.609  1562.15  105.609 -0.000000 0.000000 
1 1 1  -18    0   28 o  1998.74  159.302   65.084   9.8243   65.084   9.8243   65.084   9.8243  1998.74  159.302  1998.74  159.302 -0.000000 0.000000 
1 1 1  -18    0   30 o  2357.30  168.743   90.632   12.309   90.632   12.309   90.632   12.309  2357.30  168.743  2357.30  168.743 -0.000000 0.000000 
1 1 1  -18    0   32 o  861.956  176.499   13.292   4.2110   13.292   4.2110   13.292   4.2110  861.956  176.499  861.956  176.499 -0.000000 0.000000 
1 1 1  -18    0   34 o  230.850  141.567   0.7337   1.9667   0.7337   1.9667   0.7337   1.9667  230.850  141.567  230.850  141.567 -0.000000 0.000000 
1 1 1  -18    0   36 o  1030.17  111.946   17.402   3.5029   17.402   3.5029   17.402   3.5029  1030.17  111.946  1030.17  111.946 -0.000000 0.000000 
1 1 1  -18    0   38 o  658.186  158.365   7.9700   2.8303   7.9700   2.8303   7.9700   2.8303  658.186  158.365  658.186  158.365 -0.000000 0.000000 
1 1 1  -18    0   40 o  356.019  178.123   2.9985   2.4260   2.9985   2.4260   2.9985   2.4260  356.019  178.123  356.019  178.123 -0.000000 0.000000 
1 1 1  -18    0   42 o  358.436  183.767   3.0361   2.6186   3.0361   2.6186   3.0361   2.6186  358.436  183.767  358.436  183.767 -0.000000 0.000000 
1 1 1  -18    0   44 o  316.616  178.487   2.1748   2.6996   2.1748   2.6996   2.1748   2.6996  316.616  178.487  316.616  178.487 -0.000000 0.000000 
1 1 1  -18    0   46 f  2446.13  121.293   95.604   9.2382   95.604   9.2382   95.604   9.2382  2446.13  121.293  2446.13  121.293 -0.000000 0.000000 
1 1 1  -18    0   50 o  3079.22  196.465  156.017   18.766  156.017   18.766  156.017   18.766  3079.22  196.465  3079.22  196.465 -0.000000 0.000000 
1 1 1  -18    0   52 o  4075.42  236.899  281.434   29.997  281.434   29.997  281.434   29.997  4075.42  236.899  4075.42  236.899 -0.000000 0.000000 
1 1 1  -18    0   54 o  2717.26  129.126  119.520   10.930  119.520   10.930  119.520   10.930  2717.26  129.126  2717.26  129.126 -0.000000 0.000000 
1 1 1  -18    0   56 o  4307.63  167.230  307.340   22.479  307.340   22.479  307.340   22.479  4307.63  167.230  4307.63  167.230 -0.000000 0.000000 
1 1 1  -18    0   58 f  2509.93  122.444  102.488   9.5709  102.488   9.5709  102.488   9.5709  2509.93  122.444  2509.93  122.444 -0.000000 0.000000 
1 1 1  -18    0   60 o  1715.86  120.970   48.335   6.4252   48.335   6.4252   48.335   6.4252  1715.86  120.970  1715.86  120.970 -0.000000 0.000000 
1 1 1  -18    0   62 o  7629.89  315.439  1149.89   75.069  1149.89   75.069  1149.89   75.069  7629.89  315.439  7629.89  315.439 -0.000000 0.000000 
1 1 1  -18    1    1 o  1970.93   74.616   61.135   4.6049   59.863   6.5043   62.413   6.5203  1942.06  107.376  1983.60  105.355 -41.53198 150.4306 
1 1 1  -18    1    3 o  2050.33   76.807   66.162   4.9311   65.078   6.9801   67.242   6.9671  2024.90  110.506  2058.89  108.451 -33.99121 154.8330 
1 1 1  -18    1    5 o  2034.51   75.194   65.124   4.7902   63.951   6.7670   66.303   6.7819  2008.03  108.021  2045.16  106.269 -37.12622 151.5304 
1 1 1  -18    1    7 o  1127.05   70.249   20.050   2.4668   21.123   3.4673   18.950   3.5103  1152.82   96.954  1090.16  104.100 62.65198 142.2563 
1 1 1  -18    1    9 o  1809.85   85.503   51.624   4.8455   46.323   8.3752   54.291   5.9408  1693.55  159.825  1850.49  102.934 -156.9387 190.1037 
1 1 1  -18    1   11 o  796.754   70.675   10.064   1.7449   12.465   2.5031   7.7949   2.4338  884.041   91.760  691.990  116.457 192.0507 148.2635 
1 1 1  -18    1   13 o  1843.54   74.194   53.524   4.2829   55.500   6.0915   51.592   6.0230  1869.07  104.503  1801.15  107.280 67.92065 149.7658 
1 1 1  -18    1   15 o  602.544   83.201   5.8372   1.5279   4.7161   2.2029   6.8764   2.1209  532.912  132.562  649.859  108.021 -116.9471 171.0008 
1 1 1  -18    1   17 o  1084.03   70.961   18.605   2.3954   17.931   3.3608   19.302   3.4151  1057.62  102.781  1098.22  100.422 -40.60278 143.6962 
1 1 1  -18    1   19 o  346.228  100.380   1.9477   1.1516   1.6207   1.5492   2.3516   1.7217  337.239  118.452  387.163  124.836 -49.92383 172.0892 
1 1 1  -18    1   21 o  2383.96   81.197   90.103   6.0612   86.196   8.5216   94.103   8.6229  2312.92  118.057  2421.82  113.709 -108.8962 163.9123 
1 1 1  -18    1   23 o  1465.38   72.324   34.004   3.3185   30.634   4.6459   37.516   4.7418  1377.17  108.618  1528.40   99.626 -151.2306 147.3884 
1 1 1  -18    1   25 o  2229.58   80.162   79.039   5.5964   84.998   7.9165   73.086   7.9124  2296.56  110.088  2121.13  119.620 175.4282 162.5673 
1 1 1  -18    1   27 o  2834.80  128.909  131.487   11.443  131.487   11.443   0.0000   0.0000  2834.80  128.909  ?   ?  0.000000 128.9088 
1 1 1  -18    1   29 o  846.289  107.085   11.778   2.7742   11.005   3.8507   12.612   4.0001  795.372  160.157  855.338  155.064 -59.96643 222.9240 
1 1 1  -18    1   31 o  1206.82  104.459   23.890   3.9084   24.499   5.5588   23.294   5.4963  1192.96  152.288  1161.07  155.054 31.88611 217.3324 
1 1 1  -18    1   33 o  3060.07  138.113  159.147   13.234  152.569   18.732  165.702   18.699  2845.20  211.774  2990.67  200.845 -145.4727 291.8682 
1 1 1  -18    1   35 o  1470.55  106.741   35.898   4.8816   34.183   6.9224   37.595   6.8849  1384.79  162.749  1463.33  152.500 -78.54309 223.0319 
1 1 1  -18    1   37 o  824.334   81.837   11.083   2.0845   12.840   2.9651   9.3669   2.9309  874.068  110.826  734.019  132.392 140.0480 172.6558 
1 1 1  -18    1   39 o  2466.63   85.897   98.713   6.6344   98.613   9.3650   98.814   9.3999  2417.29  124.145  2419.25  124.509 -1.955322 175.8251 
1 1 1  -18    1   41 o  2470.23   85.830   99.300   6.6389   94.064   9.3958  104.521   9.3819  2347.32  128.319  2489.12  120.372 -141.7993 175.9410 
1 1 1  -18    1   43 f  2768.43   91.470  126.204   7.9292  120.277   11.210  132.139   11.217  2621.19  137.054  2765.14  129.556 -143.9541 188.5966 
1 1 1  -18    1   45 o  2593.99  103.652  113.420   8.4191  109.294   14.569  115.489   10.316  2322.90  202.314  2569.51  128.218 -246.6052 239.5221 
1 1 1  -18    1   47 o  3516.75  127.393  219.097   14.028  216.678   24.281  220.309   17.187  2982.85  262.641  3410.26  160.952 -427.4060 308.0352 
1 1 1  -18    1   49 o  1175.24   99.380   23.841   3.6229   17.281   6.2593   27.145   4.4427  831.357  231.757  1233.80  116.371 -402.4403 259.3329 
1 1 1  -18    1   51 o  1401.77   98.214   34.911   4.2837   31.845   5.1718   41.610   7.6452  1282.55  130.602  1345.41  186.489 -62.85950 227.6730 
1 1 1  -18    1   53 o  1642.44  102.605   51.395   5.2505   50.983   6.3615   52.276   9.2992  1547.69  132.546  1217.09  252.293 330.5970 284.9916 
1 1 1  -18    1   55 o  694.159  147.609   12.303   3.1096   10.016   3.7438   17.390   5.5842  515.701  183.832  563.541  219.590 -47.83942 286.3805 
1 1 1  -18    1   57 o  405.369  143.565   5.4180   2.2798   7.0457   3.3137   3.9550   3.1414  386.330  162.150  314.641  143.591 71.68921 216.5895 
1 1 1  -18    1   59 o  2040.05  112.774  106.799   7.1759  111.108   10.171  102.529   10.126  1311.12  256.929  1110.14  288.613 200.9813 386.4063 
1 1 1  -18    1   61 o  1610.02  116.333   76.260   5.8253   73.530   8.1875   79.058   8.2898  662.883  263.556  752.534  272.889 -89.65149 379.3810 
1 1 1  -18    2    2 o  1739.88   72.404   47.626   3.9446   43.322   5.5559   51.999   5.6012  1651.09  108.062  1811.54   99.121 -160.4514 146.6367 
1 1 1  -18    2    4 o  1638.03   71.881   42.202   3.6868   41.585   5.2184   42.818   5.2095  1618.80  103.492  1643.06  101.758 -24.27002 145.1387 
1 1 1  -18    2    6 o  1242.01   69.677   24.331   2.6988   24.321   3.8338   24.341   3.7998  1236.97   99.833  1237.66   98.873 -0.6961670 140.5081 
1 1 1  -18    2    8 o  2092.57   76.083   68.917   4.9852   74.376   7.0848   63.563   7.0160  2168.88  104.322  2000.39  112.467 168.4840 153.4010 
1 1 1  -18    2   10 o  1721.18   73.130   46.618   3.9413   46.190   5.5967   47.039   5.5513  1705.46  105.319  1721.56  103.460 -16.09717 147.6350 
1 1 1  -18    2   12 o  2809.12   87.406  124.527   7.6883  128.148   10.880  120.916   10.866  2838.94  122.390  2756.44  125.894 82.49561 175.5807 
1 1 1  -18    2   14 o  2020.84   76.549   64.371   4.8438   62.548   6.8341   66.210   6.8664  1981.84  110.568  2040.02  107.876 -58.18213 154.4753 
1 1 1  -18    2   16 o  2338.22   80.300   86.326   5.8792   86.582   8.3056   86.070   8.3233  2331.78  113.754  2324.68  114.344 7.099854 161.2899 
1 1 1  -18    2   18 o  605.362   81.591   5.8975   1.5072   5.5368   2.1231   6.2639   2.1400  577.862  121.205  616.855  115.023 -38.99292 167.0957 
1 1 1  -18    2   20 o  2742.05  100.750  119.860   8.6504  119.442   14.946  120.071   10.608  2681.08  179.064  2731.92  124.004 -50.83301 217.8092 
1 1 1  -18    2   22 f  487.715   94.735   3.9167   1.3946   2.8745   1.8520   5.2818   2.1196  420.097  128.673  561.642  123.852 -141.5453 178.5950 
1 1 1  -18    2   24 o  1817.72   88.395   52.660   5.0312   51.144   6.2204   55.528   8.5559  1778.56  112.270  1830.89  150.575 -52.32825 187.8228 
1 1 1  -18    2   26 o  2470.93  116.609   98.902   9.0221   98.902   9.0221   0.0000   0.0000  2470.93  116.609  ?   ?  0.000000 116.6091 
1 1 1  -18    2   28 f  1703.85  109.165   47.195   5.7935   49.884   8.3419   44.688   8.0523  1719.18  156.683  1623.74  160.476 95.44141 224.2812 
1 1 1  -18    2   30 o  2603.39  123.938  111.696   10.103   98.311   14.273  125.135   14.303  2351.44  195.632  2692.36  170.537 -340.9248 259.5278 
1 1 1  -18    2   32 f  3205.59  111.527  169.179   11.195  151.294   19.321  178.217   13.735  2834.84  219.370  3253.50  134.821 -418.6550 257.4876 
1 1 1  -18    2   34 o  2553.89  100.867  107.001   8.0662   99.800   13.906  110.652   9.9022  2325.90  192.674  2568.52  123.121 -242.6284 228.6526 
1 1 1  -18    2   36 o  2381.90  121.585   95.381   9.0380  100.761   12.830   90.080   12.734  2364.61  174.511  2217.53  185.082 147.0784 254.3804 
1 1 1  -18    2   38 o  2395.08  100.148   94.105   7.5107   78.912   13.115  101.519   9.1620  2039.77  208.251  2464.99  118.702 -425.2145 239.7056 
1 1 1  -18    2   40 o  4257.78  119.213  304.117   15.894  299.185   22.484  309.042   22.470  4064.00  176.687  4141.13  173.286 -77.13696 247.4798 
1 1 1  -18    2   42 o  2634.94   88.889  113.590   7.3339  118.263   10.386  108.942   10.358  2631.97  126.018  2513.52  132.066 118.4478 182.5433 
1 1 1  -18    2   44 o  4191.00  143.089  312.216   18.778  323.973   32.506  306.328   23.004  3672.42  284.913  3999.72  183.677 -327.2981 338.9874 
1 1 1  -18    2   46 o  1853.86   98.059   57.836   5.6720   63.048   9.5277   54.974   7.0592  1816.44  169.471  1763.84  128.702 52.59692 212.8025 
1 1 1  -18    2   48 o  3388.47  124.916  204.320   13.254  193.439   22.760  209.902   16.303  2767.46  265.920  3321.66  156.748 -554.2019 308.6798 
1 1 1  -18    2   50 o  3050.13  101.574  162.779   9.7010  159.429   13.662  166.187   13.778  2826.62  154.946  2895.72  152.488 -69.09570 217.3951 
1 1 1  -18    2   52 o  2786.30  121.468  151.822   10.598  154.944   12.976  145.567   18.366  2640.59  157.652  1840.06  330.926 800.5251 366.5594 
1 1 1  -18    2   54 o  988.242  117.441   20.495   3.5630   20.599   4.3206   20.272   6.2988  907.335  157.807  633.317  236.439 274.0173 284.2650 
1 1 1  -18    2   56 o  1519.23  113.411   51.663   5.3562   53.662   6.5317   47.560   9.3584  1395.93  151.885  648.947  272.442 746.9819 311.9195 
1 1 1  -18    2   58 o  1502.03  123.594   58.931   5.7613   53.998   6.9322   69.947   10.360  1117.24  205.736  588.601  265.476 528.6407 335.8642 
1 1 1  -18    2   60 o  1591.81  144.294   86.145   7.1139   95.576   8.7929   68.272   12.104  1245.24  234.101  ?   ?  0.000000 234.1010 
1 1 1  -18    2   62 f  ?   ?   469.367   26.633  478.643   32.643  450.898   46.060  ?   ?   ?   ?  0.000000      ? 
1 1 1  -18    3    1 o  2317.68   80.139   84.640   5.8159   83.980   8.2332   85.297   8.2166  2301.06  114.268  2319.33  113.140 -18.27075 160.8031 
1 1 1  -18    3    3 o  1352.50   70.450   28.851   2.9733   27.860   4.2163   29.831   4.1934  1323.55  102.537  1370.65   98.361 -47.10437 142.0870 
1 1 1  -18    3    5 o  1842.80   73.842   53.435   4.2609   50.717   6.0249   56.155   6.0267  1787.02  108.182  1882.01  102.656 -94.99255 149.1362 
1 1 1  -18    3    7 o  1546.47   71.021   37.619   3.4391   38.818   4.8573   36.413   4.8701  1564.31   99.683  1514.14  103.336 50.16711 143.5798 
1 1 1  -18    3    9 o  1507.99   70.945   35.776   3.3500   36.229   4.7357   35.322   4.7394  1510.55  100.700  1491.16  102.118 19.39148 143.4178 
1 1 1  -18    3   11 f  442.043   94.477   3.2035   1.2680   5.2269   1.8185   1.2887   1.7691  565.504  106.609  331.618  125.007 233.8856 164.2931 
1 1 1  -18    3   13 o  1479.11   71.340   34.450   3.3041   35.239   4.6924   33.673   4.6532  1488.31  101.292  1454.35  102.844 33.95837 144.3501 
1 1 1  -18    3   15 o  1607.87   71.963   40.743   3.6231   34.210   5.1108   47.343   5.1370  1462.34  112.477  1726.39   95.398 -264.0570 147.4849 
1 1 1  -18    3   17 o  1897.73   75.379   56.855   4.4792   53.499   6.2690   60.355   6.4022  1829.24  109.959  1944.85  105.525 -115.6115 152.4030 
1 1 1  -18    3   19 o  2259.89   80.269   80.832   5.6800   76.802   8.0066   84.916   8.0592  2186.49  117.375  2304.64  111.679 -118.1462 162.0153 
1 1 1  -18    3   21 o  1794.60   72.852   50.945   4.0938   50.991   5.7819   50.898   5.7972  1783.13  104.007  1781.34  104.388 1.793945 147.3581 
1 1 1  -18    3   23 o  543.805  112.414   4.9218   1.8509   5.4212   2.3620   4.1270   2.9795  566.437  135.070  503.930  164.360 62.50732 212.7394 
1 1 1  -18    3   25 o  2415.31  118.212   94.400   8.9403   94.400   8.9403   0.0000   0.0000  2415.31  118.212  ?   ?  0.000000 118.2121 
1 1 1  -18    3   27 o  1343.70   85.657   28.939   3.5852   28.524   4.4797   29.678   5.9796  1324.60  108.973  1332.51  145.685 -7.912231 181.9318 
1 1 1  -18    3   29 f  534.186  125.984   4.8645   2.0731   2.0968   4.3020   5.7016   2.3659  461.706  188.375  576.860  133.608 -115.1533 230.9468 
1 1 1  -18    3   31 o  1051.95   89.258   17.965   2.9123   17.207   4.9122   18.375   3.6165  989.590  164.288  1053.83  111.281 -64.24316 198.4285 
1 1 1  -18    3   33 o  359.053  123.628   2.0237   1.6835   4.7311   2.6898   0.2802   2.1586  516.694  154.387  303.601  129.302 213.0934 201.3810 
1 1 1  -18    3   35 o  3082.86  110.801  157.400   10.696  168.074   18.661  152.177   13.053  3003.82  199.533  2983.55  139.717 20.26904 243.5865 
1 1 1  -18    3   37 o  415.655  136.268   2.8960   2.0471   2.2225   4.2981   3.0936   2.3281  452.865  186.926  430.681  145.431 22.18439 236.8365 
1 1 1  -18    3   39 o  3305.34  116.526  182.104   12.060  187.665   21.006  179.369   14.730  3130.15  215.636  3225.43  145.845 -95.28491 260.3260 
1 1 1  -18    3   41 f  1780.40   92.029   51.950   5.1130   61.132   8.9962   47.569   6.2142  1856.66  156.194  1678.56  119.002 178.0994 196.3624 
1 1 1  -18    3   43 o  3526.01  124.306  212.956   13.724  215.660   23.764  211.603   16.812  3195.60  239.225  3429.45  156.555 -233.8494 285.8983 
1 1 1  -18    3   45 o  2267.67   98.090   85.923   6.9650   88.585   12.018   84.577   8.5468  2143.79  180.712  2205.88  124.244 -62.09497 219.3025 
1 1 1  -18    3   47 o  2507.22   89.408  104.667   7.0192  104.354   9.9623  104.976   9.8913  2417.38  132.113  2428.01  130.583 -10.63184 185.7569 
1 1 1  -18    3   49 o  3664.35  112.898  236.565   12.954  227.264   18.285  245.937   18.354  3336.52  175.641  3511.53  166.922 -175.0122 242.3066 
1 1 1  -18    3   51 o  3065.72  103.625  169.137   9.9475  169.613   14.007  168.652   14.129  2832.57  158.564  2812.94  161.084 19.63525 226.0327 
1 1 1  -18    3   53 o  2470.03   96.482  113.924   7.4622  110.520   10.483  117.421   10.624  2171.38  155.210  2257.01  151.204 -85.63379 216.6861 
1 1 1  -18    3   55 o  3069.98  228.910  368.848   21.847  370.703   26.727  365.114   37.924  1609.82  487.937  ?   ?  0.000000 487.9367 
1 1 1  -18    3   57 o  774.617  367.816  326.646   24.143  326.646   24.143   0.0000   0.0000  774.617  367.816  ?   ?  0.000000 367.8161 
1 1 1  -18    3   59 o  877.818  351.777  177.820   14.702  177.820   14.702   0.0000   0.0000  877.818  351.777  ?   ?  0.000000 351.7769 
1 1 1  -18    3   61 o  1401.22  162.919   82.130   7.0147   77.427   8.4699   92.400   12.516  664.269  266.722  ?   ?  0.000000 266.7224 
1 1 1  -18    4    2 o  1131.15   68.988   20.203   2.4318   19.040   3.4205   21.391   3.4580  1092.58  101.130  1159.58   96.102 -67.00049 139.5095 
1 1 1  -18    4    4 o  1299.05   70.412   26.626   2.8534   26.655   4.0374   26.598   4.0333  1294.61  100.382  1293.23  100.388 1.378906 141.9658 
1 1 1  -18    4    6 o  609.553   77.458   5.9435   1.4450   6.9777   2.0191   4.8577   2.0690  656.858  101.434  542.364  124.467 114.4939 160.5644 
1 1 1  -18    4    8 o  1700.97   72.944   45.539   3.8851   45.698   5.4928   45.380   5.4960  1696.26  103.917  1690.22  104.355 6.039551 147.2710 
1 1 1  -18    4   10 o  1610.18   71.092   40.807   3.5844   40.865   5.0902   40.749   5.0483  1603.77  101.890  1601.63  101.181 2.138306 143.5939 
1 1 1  -18    4   12 o  2895.38   88.573  132.415   8.0302  142.980   11.376  121.921   11.337  2997.18  121.213  2763.87  131.000 233.3064 178.4757 
1 1 1  -18    4   14 f  2635.58   84.717  109.735   6.9914  110.148   9.8974  109.323   9.8772  2628.62  120.248  2618.68  120.457 9.949463 170.2042 
1 1 1  -18    4   16 o  1623.83   72.997   41.597   3.7116   40.059   5.1994   43.195   5.3001  1583.72  105.450  1645.40  103.397 -61.68054 147.6840 
1 1 1  -18    4   18 o  1558.20   72.460   38.338   3.5354   38.009   5.0052   38.665   4.9944  1541.18  104.333  1554.87  103.169 -13.68567 146.7281 
1 1 1  -18    4   20 o  975.482   83.960   15.199   2.5395   15.367   3.1211   14.871   4.3684  975.877  103.732  943.809  153.058 32.06812 184.8971 
1 1 1  -18    4   22 f  478.402  113.906   3.8218   1.6818   4.7703   2.1427   2.2998   2.7142  532.528  129.702  417.319  155.325 115.2086 202.3568 
1 1 1  -18    4   24 o  1320.08  105.771   28.139   4.3353   28.139   4.3353   0.0000   0.0000  1320.08  105.771  ?   ?  0.000000 105.7705 
1 1 1  -18    4   26 o  648.288  110.471   6.9541   2.1621   3.5533   2.7953   12.018   3.4111  472.168  159.358  848.648  132.715 -376.4791 207.3845 
1 1 1  -18    4   28 o  2877.98   89.145  132.684   8.0334  134.025   11.391  131.358   11.332  2859.07  127.233  2829.82  127.884 29.24731 180.3960 
1 1 1  -18    4   30 o  1217.45   88.888   23.959   3.3651   22.216   5.9802   24.766   4.0707  1123.23  175.796  1229.48  106.800 -106.2480 205.6954 
1 1 1  -18    4   32 o  1078.96   88.945   18.934   2.9782   13.363   5.0137   21.972   3.7022  847.923  193.150  1155.47  103.419 -307.5478 219.0944 
1 1 1  -18    4   34 o  3047.16  108.651  153.080   10.367  168.607   18.043  145.428   12.666  3039.97  190.507  2924.68  138.311 115.2913 235.4205 
1 1 1  -18    4   36 f  3395.62  117.946  191.853   12.541  193.438   21.849  191.075   15.314  3179.52  220.826  3335.40  146.635 -155.8823 265.0768 
1 1 1  -18    4   38 o  3639.65  155.681  230.039   17.742   0.0000   0.0000  230.039   17.742  ?   ?   3639.65  155.681 0.000000 155.6809 
1 1 1  -18    4   40 o  2478.15  121.949  103.090   9.4629   0.0000   0.0000  103.090   9.4629  ?   ?   2478.15  121.949 0.000000 121.9492 
1 1 1  -18    4   42 f  3788.59  128.585  245.437   15.254  264.443   26.400  235.911   18.690  3587.68  236.324  3616.88  165.027 -29.19946 288.2412 
1 1 1  -18    4   44 o  1085.36   83.907   19.375   2.8295   17.043   3.9422   21.854   4.0635  984.631  131.122  1128.71  116.658 -144.0829 175.5052 
1 1 1  -18    4   46 o  1389.57   80.187   31.740   3.4742   35.723   4.9725   27.942   4.8560  1443.98  110.822  1262.32  124.475 181.6573 166.6596 
1 1 1  -18    4   48 o  2540.16   89.955  108.092   7.1549  107.712   10.115  108.473   10.122  2441.20  132.822  2450.87  132.392 -9.672363 187.5349 
1 1 1  -18    4   50 o  2051.29   99.908   73.496   6.4172   84.794   11.105   67.832   7.8630  1981.46  180.981  1893.20  133.495 88.25281 224.8894 
1 1 1  -18    4   52 o  2130.75   87.575   80.509   5.8429   85.247   8.2411   75.720   8.2853  2056.80  128.607  1898.91  140.338 157.8950 190.3538 
1 1 1  -18    4   54 o  1886.12  108.561   72.022   6.3844   69.462   7.8042   77.201   11.101  1695.36  148.507  1322.09  277.030 373.2681 314.3252 
1 1 1  -18    4   56 o  2001.93  221.322  162.353   13.642  162.353   13.642   0.0000   0.0000  2001.93  221.322  ?   ?  0.000000 221.3217 
1 1 1  -18    4   58 o  1333.09  340.938  170.885   14.288  170.885   14.288   0.0000   0.0000  1333.09  340.938  ?   ?  0.000000 340.9375 
1 1 1  -18    4   60 o  ?   ?   276.948   21.024  276.948   21.024   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -18    4   62 o  496.714  209.142   36.592   5.5411   36.592   5.5411   0.0000   0.0000  496.714  209.142  ?   ?  0.000000 209.1423 
1 1 1  -18    5    1 o  1207.08   70.598   23.016   2.6567   23.282   3.7799   22.756   3.7349  1208.56  100.803  1194.73  100.778 13.83020 142.5392 
1 1 1  -18    5    3 o  1783.89   73.570   50.108   4.1095   46.914   5.8032   53.321   5.8201  1717.06  108.493  1832.68  101.823 -115.6128 148.7908 
1 1 1  -18    5    5 o  1250.22   71.039   24.678   2.7695   22.754   3.9175   26.601   3.9159  1194.08  105.875  1293.56   97.392 -99.48169 143.8561 
1 1 1  -18    5    7 o  1755.70   72.805   48.528   4.0025   46.579   5.6432   50.500   5.6777  1711.69  105.808  1783.45  102.094 -71.76453 147.0323 
1 1 1  -18    5    9 o  1556.51   71.511   38.141   3.4853   37.830   4.9064   38.457   4.9519  1542.47  102.163  1555.25  102.254 -12.77942 144.5450 
1 1 1  -18    5   11 o  812.242   73.381   10.476   1.8462   10.209   2.6217   10.739   2.6001  795.188  108.095  816.790  104.025 -21.60242 150.0192 
1 1 1  -18    5   13 o  3170.09   93.519  159.079   9.2831  152.620   13.110  165.574   13.146  3086.46  135.656  3217.51  130.484 -131.0554 188.2253 
1 1 1  -18    5   15 o  1148.34   70.834   20.868   2.5346   19.921   3.5387   21.867   3.6320  1115.32  102.474  1169.51  100.145 -54.18994 143.2824 
1 1 1  -18    5   17 o  2859.54   88.360  129.598   7.9117  126.398   11.177  132.812   11.201  2805.75  127.219  2877.68  124.306 -71.93188 177.8668 
1 1 1  -18    5   19 o  714.014   90.810   8.2225   1.9844   7.9474   2.4617   8.7329   3.3531  695.192  117.260  719.400  153.528 -24.20770 193.1863 
1 1 1  -18    5   21 o  2803.97  102.877  125.656   9.0325  123.078   11.088  130.741   15.573  2759.45  128.325  2798.61  178.647 -39.15210 219.9592 
1 1 1  -18    5   23 o  397.037  139.878   2.3072   2.1615   2.3072   2.1615   0.0000   0.0000  397.037  139.878  ?   ?  0.000000 139.8784 
1 1 1  -18    5   25 o  1909.38   76.354   57.870   4.5650   55.917   6.4301   59.856   6.4820  1859.80  110.921  1926.00  107.916 -66.20349 154.7557 
1 1 1  -18    5   27 o  1597.26   75.208   40.556   3.7615   41.933   5.3523   39.212   5.2873  1608.60  106.869  1554.08  109.350 54.51794 152.9000 
1 1 1  -18    5   29 o  608.557   95.435   6.0967   1.7587   6.3799   2.5828   5.8519   2.4016  608.949  138.571  584.122  134.132 24.82751 192.8561 
1 1 1  -18    5   31 o  1296.47  106.641   27.615   4.2908   0.0000   0.0000   27.615   4.2908  ?   ?   1296.47  106.641 0.000000 106.6413 
1 1 1  -18    5   33 o  1358.04   88.305   29.938   3.7346   27.472   6.4195   31.199   4.5916  1244.39  169.134  1374.89  107.510 -130.4969 200.4112 
1 1 1  -18    5   35 f  405.623  137.618   2.6720   2.0848   0.0000   0.0000   2.6720   2.0848  ?   ?   405.623  137.618 0.000000 137.6185 
1 1 1  -18    5   37 o  3292.49  144.402  184.738   14.887   0.0000   0.0000  184.738   14.887  ?   ?   3292.49  144.402 0.000000 144.4020 
1 1 1  -18    5   39 o  1608.27  110.393   42.879   5.5256   0.0000   0.0000   42.879   5.5256  ?   ?   1608.27  110.393 0.000000 110.3925 
1 1 1  -18    5   41 o  2865.56  107.317  136.090   9.6293  140.172   16.732  134.069   11.775  2731.67  196.941  2800.74  134.262 -69.07007 238.3529 
1 1 1  -18    5   43 o  241.521  106.899  -0.3187   1.5979  -2.4933   2.3417   1.5760   2.1858  240.202  114.202  350.929  137.207 -110.7268 178.5156 
1 1 1  -18    5   45 f  837.487   91.493   11.708   2.3603   14.658   3.3962   8.9522   3.2825  918.033  121.103  692.175  155.272 225.8583 196.9148 
1 1 1  -18    5   47 o  625.410  113.904   6.8848   2.1484   4.9045   3.1100   8.6925   2.9714  502.841  168.095  684.120  143.302 -181.2791 220.8878 
1 1 1  -18    5   49 o  3311.63  104.080  190.137   10.793  191.451   15.278  188.828   15.249  3141.46  155.314  3112.15  156.983 29.30273 220.8305 
1 1 1  -18    5   51 o  2256.72  137.779  101.742   9.6894   96.094   13.628  107.516   13.779  1826.26  244.439  2003.24  223.483 -176.9794 331.2030 
1 1 1  -18    5   53 o  3097.72  142.758  214.865   13.847  215.020   16.971  214.555   23.951  2737.40  199.362  1283.29  464.077 1454.109 505.0872 
1 1 1  -18    5   55 o  1956.86  116.892   83.524   7.1297   76.243   8.7345   98.063   12.342  1612.36  175.858  1312.68  305.928 299.6768 352.8711 
1 1 1  -18    5   57 o  1779.70  120.777   76.890   6.6907   78.398   8.1760   73.832   11.641  1547.84  171.581  602.911  275.639 944.9286 324.6795 
1 1 1  -18    5   59 o  1116.70  210.002   59.269   7.0735   59.269   7.0735   0.0000   0.0000  1116.70  210.002  ?   ?  0.000000 210.0020 
1 1 1  -18    5   61 o  712.527  284.097   96.528   9.5384   96.528   9.5384   0.0000   0.0000  712.527  284.097  ?   ?  0.000000 284.0974 
1 1 1  -18    6    2 o  1311.88   70.781   27.179   2.8968   29.138   4.1466   25.312   4.0486  1353.14   98.543  1259.58  103.568 93.55957 142.9581 
1 1 1  -18    6    4 o  408.863   99.114   2.7511   1.2557   2.2013   1.8800   3.1939   1.6873  385.024  130.686  440.814  119.321 -55.78958 176.9642 
1 1 1  -18    6    6 o  281.339  100.266   1.0755   1.1137   2.7656   1.6995  -0.1963   1.4743  413.684  122.518  242.669  105.142 171.0152 161.4484 
1 1 1  -18    6    8 o  2946.11   89.644  137.143   8.2696  133.993   11.699  140.288   11.691  2897.98  128.923  2966.58  125.860 -68.59961 180.1718 
1 1 1  -18    6   10 o  798.301   77.520   10.142   1.9133   11.936   2.8445   8.6593   2.5856  860.723  107.916  729.009  117.243 131.7139 159.3480 
1 1 1  -18    6   12 o  1015.70   75.886   16.359   2.3960   17.718   3.4473   15.090   3.3326  1051.12  106.195  967.834  112.040 83.28802 154.3712 
1 1 1  -18    6   14 o  939.070   93.177   14.106   2.7037   14.776   3.2772   12.678   4.7841  957.081  111.441  865.271  182.328 91.81012 213.6877 
1 1 1  -18    6   16 o  270.516  107.896   0.6063   1.3762   1.0475   1.7619  -0.0841   2.2041  318.059  123.509  301.541  129.595 16.51727 179.0232 
1 1 1  -18    6   18 o  1251.62   84.615   24.935   3.2967   23.967   4.0779   26.761   5.6009  1220.74  107.790  1278.40  142.335 -57.66260 178.5441 
1 1 1  -18    6   20 o  1765.33   85.569   49.459   4.7300   49.940   5.8529   48.552   8.0307  1764.41  106.437  1719.16  150.705 45.25525 184.5017 
1 1 1  -18    6   22 o  453.006  122.842   3.4212   1.7864   3.1850   2.1384   3.9666   3.2502  443.074  138.692  503.272  171.825 -60.19757 220.8148 
1 1 1  -18    6   24 o  896.449   76.973   12.838   2.1397   15.123   3.0938   10.744   2.9624  966.046  103.912  807.290  120.911 158.7561 159.4278 
1 1 1  -18    6   26 o  1634.04   74.553   42.394   3.8146   45.652   5.4276   39.214   5.3622  1681.92  103.562  1554.96  110.857 126.9640 151.7050 
1 1 1  -18    6   28 o  1896.64   77.368   57.321   4.5948   59.954   6.5850   54.823   6.4143  1919.87  109.997  1834.21  112.221 85.65283 157.1403 
1 1 1  -18    6   30 o  425.855  124.725   3.0623   1.7699   8.4852   3.1631   0.5906   2.1355  697.998  149.246  315.848  131.177 382.1501 198.6999 
1 1 1  -18    6   32 o  2568.04  127.415  109.849   10.246   0.0000   0.0000  109.849   10.246  ?   ?   2568.04  127.415 0.000000 127.4155 
1 1 1  -18    6   34 o  1691.42  111.745   47.227   5.8849   0.0000   0.0000   47.227   5.8849  ?   ?   1691.42  111.745 0.000000 111.7446 
1 1 1  -18    6   36 o  1709.93  110.959   48.192   5.9089   0.0000   0.0000   48.192   5.9089  ?   ?   1709.93  110.959 0.000000 110.9589 
1 1 1  -18    6   38 o  1340.03  111.530   29.736   4.6373   28.167   6.8540   31.060   6.2975  1252.07  179.997  1338.78  152.971 -86.70569 236.2184 
1 1 1  -18    6   40 o  2520.09  101.271  104.156   7.9914  102.846   13.967  104.794   9.7439  2368.72  189.906  2498.94  124.525 -130.2148 227.0925 
1 1 1  -18    6   42 o  2933.37  110.961  143.601   10.192  148.059   17.783  141.421   12.437  2772.48  206.316  2861.43  138.811 -88.95215 248.6666 
1 1 1  -18    6   44 o  678.623  102.210   7.8044   2.1045   5.7855   3.0148   9.7232   2.9391  554.961  162.855  742.080  131.290 -187.1187 209.1861 
1 1 1  -18    6   46 o  2264.87   98.980   85.771   7.0195   87.304   8.6583   82.832   11.991  2242.84  123.766  2058.55  188.100 184.2896 225.1653 
1 1 1  -18    6   48 o  2390.58  129.604  102.592   9.6652  103.651   13.725  101.550   13.613  2219.20  199.648  2194.82  200.289 24.37549 282.7991 
1 1 1  -18    6   50 o  908.992  107.471   14.863   2.9997   15.727   3.7840   13.402   4.9211  898.914  138.915  735.480  205.661 163.4340 248.1810 
1 1 1  -18    6   52 f  1420.62  100.664   37.419   4.4489   32.200   5.5165   47.130   7.5240  1215.94  147.937  1394.45  176.254 -178.5118 230.1104 
1 1 1  -18    6   54 o  1976.56  113.249   80.727   6.9799   75.338   8.5110   91.797   12.198  1716.90  160.162  1419.24  284.397 297.6599 326.3950 
1 1 1  -18    6   56 o  2329.93  135.924  136.413   9.8734  130.731   12.024  148.174   17.300  1860.76  210.042  766.154  344.541 1094.603 403.5175 
1 1 1  -18    6   58 o  1942.66  134.827  104.536   8.1507   96.378   9.9246  121.438   14.286  1349.94  243.762  601.604  284.865 748.3345 374.9243 
1 1 1  -18    6   60 o  605.467  202.788   23.380   4.5262   23.380   4.5262   0.0000   0.0000  605.467  202.788  ?   ?  0.000000 202.7880 
1 1 1  -18    7    1 o  1851.44   75.186   54.048   4.3587   48.923   6.1710   59.150   6.1574  1750.21  113.209  1928.46  102.336 -178.2504 152.6068 
1 1 1  -18    7    3 o  347.299  102.234   1.9437   1.1865   0.4873   1.8045   3.0528   1.5747  296.257  121.565  430.633  114.721 -134.3762 167.1492 
1 1 1  -18    7    5 o  805.103   75.073   10.304   1.8707   9.7057   2.6876   10.865   2.6055  773.372  114.440  821.569  103.586 -48.19775 154.3586 
1 1 1  -18    7    7 o  1714.19   84.952   46.405   4.5598   45.155   7.8903   47.033   5.5873  1668.59  152.710  1718.95  104.299 -50.35913 184.9286 
1 1 1  -18    7    9 o  764.119   79.415   9.3099   1.8724   10.386   2.6549   8.2455   2.6409  801.645  108.561  709.347  123.381 92.29767 164.3420 
1 1 1  -18    7   11 o  1367.35   72.651   29.556   3.0994   31.162   4.4033   27.979   4.3634  1397.91  101.285  1322.99  106.224 74.91370 146.7723 
1 1 1  -18    7   13 o  1743.04   85.755   48.059   4.6804   46.900   5.7547   50.323   8.0445  1713.61  107.798  1760.57  147.278 -46.95557 182.5134 
1 1 1  -18    7   15 o  2365.26   94.552   88.780   7.0027   89.524   8.6118   87.327   12.031  2367.06  116.190  2307.58  167.652 59.48779 203.9792 
1 1 1  -18    7   17 o  1715.32   84.964   46.614   4.5635   48.111   5.6446   43.790   7.7542  1734.49  104.417  1634.70  153.279 99.79419 185.4651 
1 1 1  -18    7   19 o  1152.16   74.801   21.075   2.6840   19.354   3.7881   22.809   3.8035  1094.39  112.125  1191.70  102.939 -97.31238 152.2123 
1 1 1  -18    7   21 o  972.279   76.821   15.057   2.3197   12.945   3.2631   17.215   3.2983  889.733  120.205  1033.26  103.330 -143.5288 158.5130 
1 1 1  -18    7   23 o  3118.37   92.553  154.998   9.0372  151.241   12.774  158.763   12.787  3051.03  133.708  3128.66  130.527 -77.62671 186.8560 
1 1 1  -18    7   25 o  1478.59   74.857   34.771   3.4545   39.497   4.9426   30.257   4.8300  1566.23  101.326  1364.84  114.064 201.3844 152.5695 
1 1 1  -18    7   27 o  1353.28   73.949   29.189   3.1217   27.702   4.5253   30.540   4.3119  1303.43  111.963  1373.99  100.929 -70.55762 150.7395 
1 1 1  -18    7   29 o  684.984  133.505   7.9987   2.7606   0.0000   0.0000   7.9987   2.7606  ?   ?   684.984  133.505 0.000000 133.5045 
1 1 1  -18    7   31 o  611.205  135.949   6.4548   2.5346   0.0000   0.0000   6.4548   2.5346  ?   ?   611.205  135.949 0.000000 135.9494 
1 1 1  -18    7   33 o  1453.38  112.518   34.824   5.0807   0.0000   0.0000   34.824   5.0807  ?   ?   1453.38  112.518 0.000000 112.5176 
1 1 1  -18    7   35 o  899.906  101.377   13.306   2.8069   13.075   4.8290   13.423   3.4494  847.774  186.939  892.420  127.025 -44.64618 226.0124 
1 1 1  -18    7   37 o  3248.34  114.612  173.513   11.658  179.716   20.309  170.465   14.237  3134.33  208.114  3177.43  143.092 -43.10205 252.5601 
1 1 1  -18    7   39 o  1670.93  113.831   46.278   5.9203   49.357   8.5249   43.409   8.2280  1677.08  164.452  1565.90  170.567 111.1824 236.9342 
1 1 1  -18    7   41 o  565.568  158.694   5.8075   2.9248  -2.2546   4.3254   12.599   3.9701  355.346  164.454  838.801  156.923 -483.4553 227.3105 
1 1 1  -18    7   43 o  3043.38  141.448  161.119   13.479  156.813   19.140  165.356   18.987  2809.53  219.301  2911.41  209.674 -101.8745 303.4076 
1 1 1  -18    7   45 o  1664.89   92.331   45.832   4.7945   46.799   5.9464   44.036   8.1054  1658.24  115.239  1537.26  171.300 120.9779 206.4548 
1 1 1  -18    7   47 f  706.461  115.410   8.7517   2.4648   11.250   3.1137   4.5588   4.0340  791.970  130.076  493.258  188.083 298.7120 228.6812 
1 1 1  -18    7   49 o  2077.15  100.613   74.593   6.5440   72.584   8.1013   78.366   11.101  1982.25  131.264  1917.20  187.306 65.05334 228.7218 
1 1 1  -18    7   51 o  1013.70  105.178   18.889   3.2899   19.494   4.1675   17.889   5.3594  977.898  140.105  819.306  208.413 158.5921 251.1281 
1 1 1  -18    7   53 o  2687.08  126.199  151.638   10.618  152.339   13.063  150.271   18.230  2443.38  171.830  1498.92  386.068 944.4587 422.5798 
1 1 1  -18    7   55 o  2248.22  122.445  112.866   8.5873  108.586   10.453  121.753   15.062  1932.69  174.605  1121.10  369.734 811.5851 408.8893 
1 1 1  -18    7   57 o  1641.01  121.625   65.134   6.2051   64.858   7.5061   65.729   11.028  1409.63  173.732  605.799  273.506 803.8329 324.0187 
1 1 1  -18    7   59 o  912.099  145.518   25.606   4.0163   26.882   4.8268   22.736   7.2415  752.817  200.991  352.976  174.839 399.8404 266.3943 
1 1 1  -18    7   61 o  756.263  267.702   70.109   7.9260   70.109   7.9260   0.0000   0.0000  756.263  267.702  ?   ?  0.000000 267.7023 
1 1 1  -18    8    2 f  847.410   86.135   11.464   2.2538   15.578   3.9148   9.4235   2.7564  978.672  131.036  760.137  119.772 218.5352 177.5270 
1 1 1  -18    8    4 o  1320.69   82.604   27.649   3.3989   31.483   5.9152   25.759   4.1529  1395.29  137.162  1269.59  105.418 125.7000 172.9926 
1 1 1  -18    8    6 o  897.135   85.974   12.832   2.3856   10.977   3.9267   13.917   3.0033  811.174  160.280  930.716  104.884 -119.5423 191.5473 
1 1 1  -18    8    8 o  1092.29   84.131   18.959   2.8553   18.397   4.9485   19.239   3.4960  1057.95  153.890  1096.40  103.041 -38.44092 185.2018 
1 1 1  -18    8   10 o  1877.79  107.600   56.235   6.3003   58.914   8.9812   53.639   8.8404  1905.20  151.809  1815.11  157.091 90.09106 218.4572 
1 1 1  -18    8   12 o  2124.81  112.483   72.132   7.4572   70.537   10.608   73.689   10.486  2077.75  164.387  2126.96  158.581 -49.20776 228.4097 
1 1 1  -18    8   14 o  339.214  123.241   1.5312   1.6919   0.4720   2.4006   2.5767   2.3850  333.461  138.835  420.513  147.014 -87.05234 202.2079 
1 1 1  -18    8   16 o  1365.45   83.976   29.623   3.5730   28.368   6.0977   30.279   4.4093  1315.02  150.815  1375.49  103.127 -60.47498 182.7025 
1 1 1  -18    8   18 o  1123.73   86.685   20.134   3.0266   23.085   5.1924   18.615   3.7248  1186.58  142.607  1073.58  112.474 113.0022 181.6235 
1 1 1  -18    8   20 o  192.790   88.435  -0.8547   1.2120  -4.2136   1.9491   1.2630   1.5476  187.103   92.315  316.293  117.373 -129.1898 149.3271 
1 1 1  -18    8   22 o  1471.88   86.532   34.539   3.9706   30.824   6.8728   36.400   4.8645  1358.42  164.962  1505.30  103.840 -146.8761 194.9238 
1 1 1  -18    8   24 o  2193.96   92.971   76.826   6.3869   67.061   11.044   81.734   7.8290  1992.83  178.889  2253.86  110.933 -261.0308 210.4927 
1 1 1  -18    8   26 o  1553.17  107.764   39.079   5.2085   0.0000   0.0000   39.079   5.2085  ?   ?   1553.17  107.764 0.000000 107.7639 
1 1 1  -18    8   28 o  914.231  118.191   13.834   3.3042   0.0000   0.0000   13.834   3.3042  ?   ?   914.231  118.191 0.000000 118.1907 
1 1 1  -18    8   30 o  1291.06  106.683   27.254   4.2741   0.0000   0.0000   27.254   4.2741  ?   ?   1291.06  106.683 0.000000 106.6827 
1 1 1  -18    8   32 o  157.868   77.922  -3.0042   1.3936  -5.5795   3.0754  -2.3387   1.5634  243.752  119.401  185.916   89.669 57.83594 149.3217 
1 1 1  -18    8   34 o  480.793  135.124   3.9598   2.1188   4.9206   3.7194   3.4982   2.5780  539.175  183.810  460.699  153.012 78.47623 239.1627 
1 1 1  -18    8   36 o  2845.84  106.776  131.871   9.5148  131.488   16.566  132.059   11.623  2716.17  196.102  2819.81  131.640 -103.6431 236.1888 
1 1 1  -18    8   38 o  3448.26  150.945  202.435   16.298  186.214   23.150  218.375   22.949  3120.83  238.710  3441.12  214.047 -320.2849 320.6222 
1 1 1  -18    8   40 o  2438.46  124.247   99.620   9.4553  105.348   13.533   94.158   13.216  2423.67  179.605  2279.25  186.820 144.4263 259.1522 
1 1 1  -18    8   42 o  4542.17  195.786  385.205   27.846  372.332   39.489  397.937   39.272  3960.97  321.152  4174.19  302.522 -213.2195 441.2010 
1 1 1  -18    8   44 o  655.867  138.111   7.6725   2.7467   6.6473   3.5613   9.1777   4.3154  590.800  177.897  683.213  193.134 -92.41339 262.5796 
1 1 1  -18    8   46 o  2684.61  107.327  121.529   9.0221  122.002   11.125  120.622   15.420  2632.48  135.426  2457.98  202.138 174.4983 243.3107 
1 1 1  -18    8   48 o  2923.63  114.218  149.257   10.456  144.853   12.831  157.963   18.041  2783.14  147.763  2665.95  218.027 117.1936 263.3810 
1 1 1  -18    8   50 o  1969.77  101.136   68.908   6.2168   67.676   7.6624   71.282   10.635  1878.55  131.085  1737.11  199.116 141.4429 238.3915 
1 1 1  -18    8   52 o  1052.53  107.742   21.137   3.5008   17.103   4.4160   27.960   5.7434  836.172  174.311  1064.99  178.549 -228.8209 249.5281 
1 1 1  -18    8   54 o  1984.38  110.112   80.111   6.8150   79.850   8.4274   80.605   11.585  1814.74  149.641  1307.01  290.601 507.7274 326.8663 
1 1 1  -18    8   56 o  1452.72  113.181   46.604   5.1078   42.606   6.1225   55.759   9.2639  1211.44  165.749  886.878  289.842 324.5615 333.8879 
1 1 1  -18    8   58 o  850.114  144.779   20.704   3.7158   18.508   4.4837   25.520   6.6395  601.854  201.832  473.637  213.177 128.2171 293.5656 
1 1 1  -18    8   60 o  1015.53  264.680   78.403   8.5020   78.403   8.5020   0.0000   0.0000  1015.53  264.680  ?   ?  0.000000 264.6800 
1 1 1  -18    9    1 o  1268.90  102.988   25.717   4.0567   25.774   5.7306   25.659   5.7433  1257.20  148.436  1254.12  149.181 3.086914 210.4475 
1 1 1  -18    9    3 o  2053.09   87.905   66.652   5.6512   67.823   9.7724   66.064   6.9268  2045.13  153.727  2035.82  109.059 9.315186 188.4829 
1 1 1  -18    9    5 o  212.707   94.361  -0.4325   1.2520  -2.4759   2.0712   0.7440   1.5716  227.915  108.079  291.741  115.634 -63.82640 158.2790 
1 1 1  -18    9    7 o  652.075   98.313   6.8855   1.9450   4.1942   3.3214   8.2901   2.3994  519.634  173.716  713.946  110.932 -194.3119 206.1145 
1 1 1  -18    9    9 o  1745.79  104.924   48.584   5.7090   56.709   8.1661   40.817   7.9844  1873.93  140.186  1579.03  163.874 294.9043 215.6539 
1 1 1  -18    9   11 o  517.628  125.892   4.4536   2.0209   4.4061   2.8609   4.5009   2.8550  520.231  160.026  524.698  159.573 -4.467285 225.9905 
1 1 1  -18    9   13 o  666.254  116.933   7.2816   2.3505   8.3673   3.3626   6.2443   3.2869  705.823  156.273  609.503  167.191 96.31946 228.8543 
1 1 1  -18    9   15 o  1191.92   83.286   22.580   3.0889   20.892   5.2912   23.454   3.8044  1125.94  154.128  1210.59  101.294 -84.65796 184.4334 
1 1 1  -18    9   17 o  858.874   92.358   11.835   2.4448   13.285   4.1837   11.084   3.0127  892.617  155.328  823.888  120.329 68.72815 196.4834 
1 1 1  -18    9   19 o  1505.52   87.578   36.072   4.1107   36.464   7.2580   35.887   4.9878  1487.01  158.312  1495.62  107.217 -8.610718 191.2019 
1 1 1  -18    9   21 o  1943.78  114.268   60.812   6.9243   62.320   9.8300   59.326   9.7552  1940.82  163.269  1891.39  166.411 49.43103 233.1298 
1 1 1  -18    9   23 o  583.633  117.971   5.6743   2.0818   3.4255   3.6076   6.7970   2.5490  490.205  179.675  636.260  132.259 -146.0547 223.1044 
1 1 1  -18    9   25 o  578.181  138.157   5.6853   2.4671   0.0000   0.0000   5.6853   2.4671  ?   ?   578.181  138.157 0.000000 138.1572 
1 1 1  -18    9   27 o  1114.93  109.665   20.294   3.7790   0.0000   0.0000   20.294   3.7790  ?   ?   1114.93  109.665 0.000000 109.6647 
1 1 1  -18    9   29 o  1678.15   89.836   45.302   4.7035   44.823   8.3084   45.528   5.7059  1618.35  166.324  1671.52  109.624 -53.17615 199.2007 
1 1 1  -18    9   31 o  257.078  112.564  -0.2828   1.7279  -1.5910   3.1356   0.2878   2.0707  315.185  143.692  301.670  127.479 13.51511 192.0893 
1 1 1  -18    9   33 f  4740.20  191.082  391.495   28.362  371.541   40.232  411.209   39.988  4305.50  300.301  4598.38  279.043 -292.8730 409.9337 
1 1 1  -18    9   35 o  913.298  119.159   13.845   3.3265   21.717   4.9215   7.2243   4.5136  1134.98  141.558  635.254  201.844 499.7241 246.5355 
1 1 1  -18    9   37 o  3365.50  147.085  190.685   15.500  175.152   22.010  205.968   21.832  3068.28  230.779  3379.43  207.322 -311.1479 310.2282 
1 1 1  -18    9   39 o  1323.97  113.596   29.027   4.6637   28.207   6.7230   29.789   6.4749  1260.04  175.134  1306.31  161.754 -46.27759 238.4039 
1 1 1  -18    9   41 o  816.461  140.649   11.603   3.4660   9.6191   5.3015   13.084   4.5804  699.673  218.275  843.595  178.948 -143.9221 282.2517 
1 1 1  -18    9   43 o  760.848  122.230   9.9368   2.8134   7.4512   3.6038   13.816   4.5019  630.263  175.908  866.277  172.035 -236.0143 246.0486 
1 1 1  -18    9   45 o  2271.13  101.253   85.669   7.2005   78.603   8.8886   99.158   12.281  2127.04  134.144  2321.97  170.098 -194.9216 216.6280 
1 1 1  -18    9   47 o  1910.69   97.453   61.452   5.8111   54.293   7.1593   75.276   9.9487  1745.98  131.927  2001.54  160.079 -255.5621 207.4365 
1 1 1  -18    9   49 o  410.305  152.273   3.2160   2.6049   7.0397   3.4774  -1.6732   3.9322  562.758  176.979  320.927  151.199 241.8304 232.7713 
1 1 1  -18    9   51 o  1311.84  103.439   31.623   4.2145   30.520   5.1911   33.756   7.2186  1221.90  138.101  1126.36  212.464 95.53821 253.4026 
1 1 1  -18    9   53 o  1431.65  104.713   39.666   4.6616   42.051   5.7866   35.255   7.8677  1392.52  134.380  937.306  259.315 455.2117 292.0658 
1 1 1  -18    9   55 o  501.533  162.007   7.5396   2.8986   8.5197   3.3945   4.9007   5.5698  498.897  175.335  350.324  169.034 148.5730 243.5464 
1 1 1  -18    9   57 o  327.862  141.188   3.6350   2.6260   1.7395   3.0682   8.8270   5.0779  280.648  132.626  363.085  171.290 -82.43677 216.6338 
1 1 1  -18    9   59 o  231.614  114.350  -0.1086   3.0075  -0.1086   3.0075   0.0000   0.0000  231.614  114.350  ?   ?  0.000000 114.3495 
1 1 1  -18   10    2 o  1292.59   82.215   26.486   3.3103   29.831   4.1284   20.463   5.5397  1368.93   96.941  1113.89  163.711 255.0353 190.2599 
1 1 1  -18   10    4 o  1120.03   72.987   19.855   2.5457   18.964   3.5778   20.767   3.6230  1087.87  106.395  1139.73  102.620 -51.85962 147.8197 
1 1 1  -18   10    6 o  1690.08   85.486   45.247   4.5092   49.129   5.5648   37.826   7.6950  1757.12  101.575  1520.59  164.221 236.5272 193.0959 
1 1 1  -18   10    8 o  1523.01   84.676   36.762   4.0222   40.676   4.9834   29.447   6.8126  1598.54  100.065  1338.69  166.091 259.8433 193.9053 
1 1 1  -18   10   10 o  1146.51   84.121   20.881   2.9989   20.329   3.6918   21.952   5.1419  1126.41  105.913  1159.92  144.721 -33.50342 179.3370 
1 1 1  -18   10   12 o  1136.75   85.432   20.546   3.0187   23.019   5.1649   19.262   3.7202  1188.61  141.556  1094.92  109.999 93.69519 179.2704 
1 1 1  -18   10   14 o  957.849   88.368   14.645   2.6205   14.653   4.4785   14.640   3.2314  939.286  157.872  952.650  110.374 -13.36438 192.6294 
1 1 1  -18   10   16 o  1841.38   86.724   53.697   5.0004   59.586   8.7403   50.831   6.0967  1914.41  146.927  1782.30  109.777 132.1116 183.4083 
1 1 1  -18   10   18 o  671.709  107.917   7.3695   2.1929   6.3808   3.8957   7.8281   2.6532  616.378  186.169  687.616  127.937 -71.23846 225.8909 
1 1 1  -18   10   20 o  867.354  126.775   12.352   3.3414   12.556   4.8772   12.171   4.5871  853.927  187.537  843.299  179.240 10.62848 259.4169 
1 1 1  -18   10   22 o  1374.07  108.438   30.443   4.6277   0.0000   0.0000   30.443   4.6277  ?   ?   1374.07  108.438 0.000000 108.4380 
1 1 1  -18   10   24 o  1601.77  107.008   41.413   5.3361   0.0000   0.0000   41.413   5.3361  ?   ?   1601.77  107.008 0.000000 107.0079 
1 1 1  -18   10   26 o  802.667  126.355   10.726   3.0708   10.224   4.6371   11.119   4.0981  757.560  194.488  800.663  168.782 -43.10321 257.5129 
1 1 1  -18   10   28 o  524.961  146.159   4.7138   2.4911   3.2241   3.7672   5.8714   3.3208  482.511  182.291  581.805  170.973 -99.29391 249.9234 
1 1 1  -18   10   30 o  185.432   90.281  -2.9198   1.6821   4.7464   3.5075  -5.2097   1.9170  534.286  178.516  170.708   85.409 363.5779 197.8954 
1 1 1  -18   10   32 o  1913.06  114.526   59.575   6.8289   59.561   9.9090   59.588   9.4242  1869.89  171.136  1878.28  161.818 -8.395142 235.5264 
1 1 1  -18   10   34 o  859.940  173.509   12.934   4.5109   0.0000   0.0000   12.934   4.5109  ?   ?   859.940  173.509 0.000000 173.5093 
1 1 1  -18   10   36 o  1338.84  116.404   29.449   4.8314   23.195   7.1337   34.749   6.5666  1130.09  209.306  1434.94  148.286 -304.8506 256.5107 
1 1 1  -18   10   38 o  2428.46   99.133   95.584   7.5382   98.826   9.3424   89.536   12.761  2448.09  121.875  2256.14  182.191 191.9431 219.1964 
1 1 1  -18   10   40 o  973.893  103.094   15.638   3.0960   14.798   3.9337   17.006   5.0188  928.303  139.657  976.673  170.302 -48.36981 220.2429 
1 1 1  -18   10   42 o  1685.69   93.827   46.400   4.9329   46.223   6.1517   46.719   8.2558  1661.91  119.002  1624.65  164.557 37.26453 203.0780 
1 1 1  -18   10   44 o  2064.62   97.948   70.114   6.3321   65.380   7.8381   79.010   10.744  1956.75  128.644  2097.19  164.940 -140.4471 209.1754 
1 1 1  -18   10   46 o  1021.16  106.997   17.728   3.3704   21.987   4.3493   11.325   5.3326  1121.79  125.999  723.921  217.622 397.8705 251.4662 
1 1 1  -18   10   48 o  700.898  141.490   9.3548   2.9983   6.8874   3.9361   12.765   4.6277  558.093  189.097  762.933  193.441 -204.8394 270.5126 
1 1 1  -18   10   50 o  4002.54  165.170  344.919   20.701  341.040   25.407  352.578   35.705  3560.43  229.107  2113.47  538.107 1446.956 584.8494 
1 1 1  -18   10   52 o  2196.83  112.910   93.476   7.7406   88.317   9.5590  103.304   13.192  1972.49  156.042  1803.78  239.496 168.7124 285.8452 
1 1 1  -18   10   54 o  3399.16  193.984  344.024   20.561  337.273   25.217  357.415   35.515  2410.23  343.882  666.911  337.683 1743.321 481.9593 
1 1 1  -18   10   56 o  1291.11  114.886   36.697   4.5961   32.051   5.5907   46.381   8.0723  1016.62  182.325  943.419  263.259 73.20105 320.2307 
1 1 1  -18   10   58 o  1016.99  176.024   35.066   5.4024   35.066   5.4024   0.0000   0.0000  1016.99  176.024  ?   ?  0.000000 176.0239 
1 1 1  -18   11    1 o  1981.78   90.098   62.118   5.5910   55.830   6.8156   75.056   9.7760  1868.83  117.062  2156.36  145.638 -287.5294 186.8522 
1 1 1  -18   11    3 o  1261.86  102.764   25.417   4.0251   25.417   4.0251   0.0000   0.0000  1261.86  102.764  ?   ?  0.000000 102.7640 
1 1 1  -18   11    5 o  951.618   85.091   14.416   2.5087   16.044   3.1570   11.627   4.1327  1000.83  102.171  834.610  163.985 166.2209 193.2094 
1 1 1  -18   11    7 o  177.552   84.161  -1.5106   1.2533  -0.9226   1.6908  -2.2276   1.8672  235.797  106.718  216.711  102.723 19.08582 148.1241 
1 1 1  -18   11    9 o  519.609  103.659   4.4324   1.6274   4.7061   2.3470   4.1789   2.2587  531.974  139.263  502.651  138.890 29.32327 196.6845 
1 1 1  -18   11   11 o  2045.81   77.245   66.048   4.9482   58.963   6.9641   73.271   7.0321  1920.07  116.382  2147.75  104.565 -227.6790 156.4568 
1 1 1  -18   11   13 o  681.772   95.281   7.5062   1.9785   6.4496   2.9264   8.3957   2.6851  619.974  151.931  714.914  124.470 -94.93958 196.4073 
1 1 1  -18   11   15 o  1483.04   75.266   34.810   3.4837   38.569   5.0019   31.269   4.8548  1554.03  103.382  1396.09  111.998 157.9420 152.4189 
1 1 1  -18   11   17 o  629.504  110.693   6.5008   2.1023   6.9138   3.7501   6.3116   2.5387  638.706  179.863  614.587  135.558 24.11938 225.2257 
1 1 1  -18   11   19 o  1988.69  111.632   63.459   6.9233   51.578   9.6695   75.957   9.9173  1759.30  177.977  2157.19  147.710 -397.8892 231.2873 
1 1 1  -18   11   21 o  1654.33  104.508   43.934   5.3858   56.177   7.8359   32.971   7.4149  1856.34  135.748  1401.92  172.555 454.4211 219.5515 
1 1 1  -18   11   23 o  969.943   90.982   15.122   2.7309   19.608   3.5143   8.2826   4.3391  1101.81  103.060  688.432  193.334 413.3745 219.0873 
1 1 1  -18   11   25 o  2011.62   91.357   64.620   5.7545   66.952   7.1411   60.304   9.7178  2034.50  112.534  1895.73  165.365 138.7679 200.0241 
1 1 1  -18   11   27 o  2345.19   96.306   88.097   7.0721   91.724   8.7626   81.320   11.978  2379.83  117.590  2190.58  176.109 189.2566 211.7588 
1 1 1  -18   11   29 o  797.530  106.441   10.403   2.5918   8.9090   3.3801   12.534   4.0376  721.069  154.365  857.954  156.041 -136.8852 219.4930 
1 1 1  -18   11   31 o  1326.11   93.452   28.257   3.8557   28.638   4.9029   27.640   6.2418  1324.46  119.510  1281.32  158.988 43.13770 198.8970 
1 1 1  -18   11   33 o  1699.77   89.523   46.292   4.7480   50.982   5.9474   38.051   7.8840  1775.20  107.503  1495.61  171.446 279.5842 202.3621 
1 1 1  -18   11   35 o  2797.00  129.061  128.275   11.303  129.218   16.064  127.351   15.908  2733.19  188.859  2714.00  188.354 19.19287 266.7301 
1 1 1  -18   11   37 o  3395.93  115.521  188.321   12.284  198.482   15.124  168.625   21.057  3453.31  139.868  3043.51  222.493 409.8027 262.8045 
1 1 1  -18   11   39 o  314.138  130.236   0.6094   2.0996  -2.6518   2.8470   4.4981   3.1089  274.596  129.153  512.688  167.923 -238.0917 211.8459 
1 1 1  -18   11   41 o  2926.02  108.801  140.508   9.9685  139.708   12.281  142.052   17.067  2880.40  136.163  2797.15  196.104 83.24561 238.7412 
1 1 1  -18   11   43 o  2209.19   98.953   79.920   6.8451   78.333   8.4863   82.877   11.580  2154.71  126.332  2149.84  173.507 4.871338 214.6265 
1 1 1  -18   11   45 o  2443.42  103.835   99.467   7.9443   95.876   9.8269  106.242   13.497  2349.45  134.134  2376.39  182.790 -26.93750 226.7245 
1 1 1  -18   11   47 o  2085.82  100.474   73.900   6.5622   75.781   8.1347   70.397   11.104  2063.11  126.533  1843.95  195.288 219.1600 232.6975 
1 1 1  -18   11   49 o  4018.75  159.693  329.918   20.095  306.988   24.650  375.348   34.698  3485.66  227.089  3026.49  374.101 459.1709 437.6309 
1 1 1  -18   11   51 o  2849.37  124.560  158.853   11.113  159.053   13.685  158.467   19.045  2656.60  165.330  2017.84  311.451 638.7668 352.6132 
1 1 1  -18   11   53 o  1559.80  110.422   47.850   5.3583   42.730   6.6512   57.317   9.0444  1327.02  163.529  1368.59  218.392 -41.57471 272.8316 
1 1 1  -18   11   55 o  1806.86  116.388   69.587   6.5499   63.190   8.0072   82.523   11.387  1504.33  173.146  1295.85  288.092 208.4846 336.1203 
1 1 1  -18   11   57 o  467.935  179.868   9.6985   3.7079   9.6985   3.7079   0.0000   0.0000  467.935  179.868  ?   ?  0.000000 179.8682 
1 1 1  -18   11   59 o  488.716  190.580   14.690   4.2087   13.901   5.4387   15.867   6.6448  367.045  174.371  341.884  169.008 25.16180 242.8358 
1 1 1  -18   12    2 o  1655.95   89.175   43.483   4.6069   44.562   5.6116   41.252   8.0680  1671.61  107.785  1588.81  164.559 82.80322 196.7159 
1 1 1  -18   12    4 o  725.335  105.961   8.5197   2.3356   9.2803   2.7863   6.7225   4.2832  753.836  122.227  637.765  195.741 116.0707 230.7679 
1 1 1  -18   12    6 o  993.831   78.742   15.679   2.4303   13.749   3.3405   17.849   3.5424  921.895  118.462  1054.60  108.837 -132.7088 160.8686 
1 1 1  -18   12    8 o  548.256  102.753   4.9189   1.6992   6.5211   2.3193   3.0625   2.4965  629.209  122.121  448.392  150.603 180.8172 193.8938 
1 1 1  -18   12   10 o  782.972   90.756   9.8270   2.1838   9.3215   3.1316   10.306   3.0468  751.203  138.230  793.744  126.858 -42.54126 187.6178 
1 1 1  -18   12   12 o  1405.14   88.241   31.360   3.8627   30.091   4.7356   33.884   6.6770  1370.48  111.316  1442.02  150.073 -71.53662 186.8505 
1 1 1  -18   12   14 o  1262.46  104.429   25.512   4.0911   28.691   5.8713   22.512   5.7037  1326.97  143.596  1167.97  160.176 158.9946 215.1189 
1 1 1  -18   12   16 o  2703.99  122.153  117.146   10.343  128.023   14.728  106.562   14.528  2793.21  169.186  2536.79  184.146 256.4209 250.0670 
1 1 1  -18   12   18 o  860.350  179.830   12.630   4.6886   12.630   4.6886   0.0000   0.0000  860.350  179.830  ?   ?  0.000000 179.8300 
1 1 1  -18   12   20 f  1710.48   88.553   46.604   4.7266   48.247   5.8605   43.545   7.9948  1733.09  108.541  1622.55  159.418 110.5455 192.8608 
1 1 1  -18   12   22 o  276.941  116.269   0.2351   1.7045  -4.1552   2.4086   4.6400   2.4125  222.163  108.135  524.775  142.945 -302.6119 179.2384 
1 1 1  -18   12   24 o  1726.15   89.258   47.570   4.8079   51.057   5.9925   41.269   8.0549  1780.60  107.989  1570.24  166.358 210.3633 198.3342 
1 1 1  -18   12   26 o  3621.57  121.011  211.924   13.723  207.977   16.844  219.715   23.665  3556.78  151.238  3569.07  212.720 -12.28540 261.0031 
1 1 1  -18   12   28 o  941.361   96.459   14.292   2.8031   13.053   3.5599   16.312   4.5474  887.934  132.058  986.569  152.091 -98.63489 201.4224 
1 1 1  -18   12   30 o  950.119  101.402   14.604   2.9702   14.708   3.8134   14.443   4.7358  943.025  132.823  919.216  170.824 23.80853 216.3859 
1 1 1  -18   12   32 o  2040.06   93.942   66.492   6.0009   68.362   7.4838   63.125   10.043  2054.33  116.824  1940.47  166.913 113.8568 203.7345 
1 1 1  -18   12   34 o  427.410  140.035   2.9257   2.1619   2.2732   2.8304   3.8396   3.3496  418.156  158.001  496.421  174.188 -78.26508 235.1716 
1 1 1  -18   12   36 o  2319.81  120.520   87.997   8.7243   87.505   12.433   88.475   12.245  2258.69  177.213  2275.67  173.147 -16.98779 247.7588 
1 1 1  -18   12   38 o  676.628  126.240   7.7454   2.5763   9.3408   3.3209   5.3343   4.0826  735.072  149.376  560.893  192.557 174.1789 243.7034 
1 1 1  -18   12   40 o  741.498  123.932   9.2873   2.7759   11.831   3.6331   5.7199   4.3028  828.645  145.319  573.632  197.638 255.0128 245.3126 
1 1 1  -18   12   42 o  1426.01   96.400   33.203   4.2792   35.441   5.3710   29.314   7.0805  1458.36  118.648  1275.07  182.552 183.2870 217.7211 
1 1 1  -18   12   44 o  983.523  112.482   16.318   3.4018   14.180   4.3055   19.869   5.5496  883.943  161.505  1035.81  177.492 -151.8707 239.9730 
1 1 1  -18   12   46 o  1185.69  103.791   23.901   3.8146   24.822   4.8463   22.401   6.1844  1179.01  133.635  1051.73  194.972 127.2743 236.3733 
1 1 1  -18   12   48 o  2154.23  103.949   80.861   7.0118   73.728   8.6500   94.528   11.974  1972.75  140.961  2115.68  182.533 -142.9358 230.6256 
1 1 1  -18   12   50 o  2728.20  118.415  139.434   10.116  132.847   12.449  152.238   17.356  2498.83  159.941  2314.76  243.089 184.0681 290.9874 
1 1 1  -18   12   52 o  1635.99  111.545   51.424   5.6800   47.533   6.9059   59.560   9.9861  1460.12  153.339  1381.24  239.577 78.87866 284.4465 
1 1 1  -18   12   54 o  2344.81  122.033  115.664   8.9289  109.400   10.860  128.734   15.687  2045.76  171.103  1531.05  336.396 514.7140 377.4102 
1 1 1  -18   12   56 o  2251.22  242.609  212.555   16.832  188.968   23.559  237.148   24.056  584.834  293.570  757.095  361.641 -172.2605 465.7978 
1 1 1  -18   12   58 o  786.003  230.684   31.856   6.0489   23.569   8.1050   42.274   9.0879  396.480  194.133  519.013  239.557 -122.5331 308.3427 
1 1 1  -18   13    1 o  1049.49  113.819   17.730   3.6804   17.730   3.6804   0.0000   0.0000  1049.49  113.819  ?   ?  0.000000 113.8194 
1 1 1  -18   13    3 o  2264.45  116.424   81.873   8.2271   81.873   8.2271   0.0000   0.0000  2264.45  116.424  ?   ?  0.000000 116.4238 
1 1 1  -18   13    5 o  639.607  136.333   6.7930   2.6470   6.7930   2.6470   0.0000   0.0000  639.607  136.333  ?   ?  0.000000 136.3332 
1 1 1  -18   13    7 f  1546.71  110.281   38.222   5.3061   38.222   5.3061   0.0000   0.0000  1546.71  110.281  ?   ?  0.000000 110.2806 
1 1 1  -18   13    9 o  2591.49  122.234  107.212   9.9188  107.212   9.9188   0.0000   0.0000  2591.49  122.234  ?   ?  0.000000 122.2340 
1 1 1  -18   13   11 o  676.709  141.686   7.6253   2.9060   7.9084   4.1080   7.3418   4.1113  683.190  186.711  659.960  189.183 23.23029 265.8026 
1 1 1  -18   13   13 o  876.111  123.855   12.509   3.3030   15.126   4.6715   9.8928   4.6708  953.066  162.358  760.005  195.238 193.0612 253.9249 
1 1 1  -18   13   15 o  1349.15  108.927   29.199   4.5624   29.834   6.5821   28.611   6.3298  1345.99  159.260  1318.98  156.303 27.01514 223.1468 
1 1 1  -18   13   17 o  736.828  138.464   9.0305   3.0773   9.0305   3.0773   0.0000   0.0000  736.828  138.464  ?   ?  0.000000 138.4641 
1 1 1  -18   13   19 o  892.218   99.670   12.830   2.7369   11.965   3.3515   14.561   4.7420  852.879  129.575  928.736  169.300 -75.85669 213.1953 
1 1 1  -18   13   21 o  274.118  119.291  -0.2665   1.9146  -0.5773   2.3916   0.2881   3.1947  298.061  131.409  371.026  157.644 -72.96548 205.2314 
1 1 1  -18   13   23 o  1166.69   90.440   21.764   3.2782   24.545   4.1533   17.168   5.3388  1233.97  108.598  1005.92  175.902 228.0548 206.7243 
1 1 1  -18   13   25 o  1847.89  113.943   54.964   6.5608   52.703   9.4972   57.028   9.0741  1778.34  172.733  1859.84  157.289 -81.49646 233.6166 
1 1 1  -18   13   27 o  2143.23   93.596   73.099   6.2812   75.789   7.7918   68.104   10.615  2170.57  115.053  2026.26  168.840 144.3057 204.3140 
1 1 1  -18   13   29 o  2678.04  102.017  114.551   8.5547  118.001   10.523  107.828   14.691  2705.17  124.227  2534.86  186.401 170.3174 224.0033 
1 1 1  -18   13   31 o  2720.66  102.958  118.436   8.7710  122.753   10.802  110.082   15.026  2755.65  125.191  2552.92  189.324 202.7297 226.9725 
1 1 1  -18   13   33 f  1855.67   93.437   55.127   5.4118   54.206   6.7129   56.835   9.1465  1828.24  117.892  1846.09  159.805 -17.84729 198.5854 
1 1 1  -18   13   35 o  1978.88   92.812   62.676   5.7509   70.046   7.1597   49.275   9.6547  2080.02  110.323  1693.19  185.118 386.8260 215.4993 
1 1 1  -18   13   37 o  2074.08  117.682   70.239   7.6113   67.972   10.865   72.424   10.666  1990.66  176.120  2064.73  166.391 -74.07178 242.2895 
1 1 1  -18   13   39 o  2588.02  102.252  108.373   8.2862  108.625   10.221  107.891   14.153  2568.46  127.088  2490.72  182.753 77.74146 222.5983 
1 1 1  -18   13   41 o  637.275  144.003   7.0801   2.8059   6.0108   3.5659   8.8185   4.5466  580.344  178.681  689.471  199.327 -109.1276 267.6908 
1 1 1  -18   13   43 o  2378.58  102.336   92.946   7.6219   87.268   9.3733  104.028   13.095  2265.92  132.687  2406.28  174.993 -140.3655 219.6095 
1 1 1  -18   13   45 o  2253.34  102.480   84.997   7.2307   79.654   8.8914   95.430   12.425  2130.35  133.974  2241.85  178.478 -111.5022 223.1671 
1 1 1  -18   13   47 o  1383.11  103.901   33.048   4.4669   29.789   5.4921   39.418   7.6778  1264.91  141.066  1390.14  180.655 -125.2341 229.2072 
1 1 1  -18   13   49 o  1264.44  110.316   28.875   4.3240   26.012   5.2660   34.801   7.5757  1136.83  151.720  1210.40  207.341 -73.57214 256.9225 
1 1 1  -18   13   51 o  1004.70  169.242   22.859   5.1350   26.561   7.3086   19.249   7.2163  903.243  249.947  698.858  254.426 204.3844 356.6600 
1 1 1  -18   13   53 o  335.673  155.100   1.4629   3.8246   3.2388   5.3089  -0.4533   5.5147  376.248  176.770  334.292  162.911 41.95612 240.3911 
1 1 1  -18   13   55 o  1046.94  182.802   31.065   5.7746   29.725   7.8087   32.683   8.5786  690.985  262.112  667.624  268.302 23.36017 375.0848 
1 1 1  -18   13   57 o  1451.34  131.174   51.174   5.8968   46.914   7.0970   60.672   10.597  1139.11  206.580  722.990  295.393 416.1201 360.4610 
1 1 1  -18   14    2 o  490.099  135.097   3.9699   2.1400   4.9833   2.4383   0.5723   4.4647  546.927  141.353  442.968  187.187 103.9598 234.5625 
1 1 1  -18   14    4 o  1298.57  111.961   27.019   4.5080   27.019   4.5080   0.0000   0.0000  1298.57  111.961  ?   ?  0.000000 111.9612 
1 1 1  -18   14    6 o  935.598  122.525   14.196   3.5032   14.196   3.5032   0.0000   0.0000  935.598  122.525  ?   ?  0.000000 122.5251 
1 1 1  -18   14    8 o  2479.61  174.484  100.582   13.461  100.582   13.461   0.0000   0.0000  2479.61  174.484  ?   ?  0.000000 174.4843 
1 1 1  -18   14   10 o  756.258  190.327   9.7469   4.5035   9.7469   4.5035   0.0000   0.0000  756.258  190.327  ?   ?  0.000000 190.3275 
1 1 1  -18   14   12 o  804.667  197.210   11.092   4.9302   11.092   4.9302   0.0000   0.0000  804.667  197.210  ?   ?  0.000000 197.2097 
1 1 1  -18   14   14 o  1972.61  114.388   62.290   7.0351   62.290   7.0351   0.0000   0.0000  1972.61  114.388  ?   ?  0.000000 114.3876 
1 1 1  -18   14   16 o  588.742  156.179   5.8282   2.9265   5.8282   2.9265   0.0000   0.0000  588.742  156.179  ?   ?  0.000000 156.1790 
1 1 1  -18   14   18 o  675.030  149.501   7.6553   3.0767   7.6553   3.0767   0.0000   0.0000  675.030  149.501  ?   ?  0.000000 149.5015 
1 1 1  -18   14   20 f  1763.13  112.754   49.854   6.1923   49.854   6.1923   0.0000   0.0000  1763.13  112.754  ?   ?  0.000000 112.7540 
1 1 1  -18   14   22 o  576.157  131.534   5.5450   2.3208   5.9850   2.9258   4.7983   3.8111  595.869  155.251  551.753  186.074 44.11627 242.3355 
1 1 1  -18   14   24 o  869.018  133.137   12.412   3.5074   16.570   5.0796   8.6231   4.8488  994.265  169.219  709.243  206.077 285.0216 266.6518 
1 1 1  -18   14   26 o  1295.62   93.132   26.784   3.7531   22.789   4.6195   34.543   6.4371  1184.91  126.459  1454.93  143.150 -270.0167 191.0071 
1 1 1  -18   14   28 o  2182.64   94.473   75.726   6.4566   80.549   7.9418   66.325   11.089  2240.90  113.553  1997.29  179.213 243.6145 212.1594 
1 1 1  -18   14   30 o  2217.58   96.177   78.316   6.6784   80.284   8.1933   74.420   11.528  2233.12  117.588  2114.37  175.714 118.7527 211.4296 
1 1 1  -18   14   32 o  3456.03  117.930  192.387   12.762  189.419   15.643  198.295   22.068  3403.19  146.797  3404.91  207.985 -1.721680 254.5728 
1 1 1  -18   14   34 o  1701.98   94.846   46.427   5.0346   45.386   6.2038   48.435   8.6164  1671.56  119.310  1700.64  163.833 -29.07581 202.6730 
1 1 1  -18   14   36 o  3608.00  121.160  211.452   13.688  195.564   16.759  243.292   23.724  3429.16  156.078  3745.86  203.022 -316.7004 256.0824 
1 1 1  -18   14   38 o  2551.88  125.978  106.531   10.066  108.207   14.187  104.831   14.285  2509.54  181.777  2464.23  186.516 45.31714 260.4440 
1 1 1  -18   14   40 o  2294.52  100.426   85.186   7.2153   78.479   8.8291   98.670   12.519  2175.27  130.222  2396.58  167.891 -221.3093 212.4738 
1 1 1  -18   14   42 o  1483.19  100.408   36.052   4.6357   36.731   5.6508   34.654   8.1067  1480.91  122.972  1375.63  193.557 105.2823 229.3169 
1 1 1  -18   14   44 o  762.080  145.159   10.448   3.3374   10.458   4.0496   10.428   5.8922  739.637  177.184  695.924  231.336 43.71283 291.3940 
1 1 1  -18   14   46 o  1422.27  106.629   34.735   4.7141   32.860   5.7704   38.498   8.1741  1342.81  139.264  1366.04  196.776 -23.23438 241.0709 
1 1 1  -18   14   48 o  2589.91  142.955  128.141   11.548  108.858   16.236  147.886   16.429  2000.86  265.714  2540.53  208.361 -539.6733 337.6659 
1 1 1  -18   14   50 o  2019.94  138.790   80.798   8.7251   78.478   12.402   83.072   12.278  1676.19  243.401  1775.82  225.917 -99.63208 332.0880 
1 1 1  -18   14   52 o  580.235  196.797   9.8629   4.2632   7.6958   5.7123   12.588   6.4053  470.175  205.298  553.349  228.278 -83.17392 307.0146 
1 1 1  -18   14   54 o  1563.01  118.377   49.908   5.7506   48.614   7.0269   52.531   10.006  1409.88  162.123  1053.92  292.751 355.9546 334.6449 
1 1 1  -18   14   56 o  1833.03  120.558   73.740   6.8810   68.114   8.3239   85.883   12.228  1537.99  176.014  1117.37  328.011 420.6244 372.2529 
1 1 1  -18   15    1 o  854.022  110.487   11.771   2.8853   9.7224   3.4559   16.483   5.2420  765.439  149.553  994.839  174.651 -229.4000 229.9328 
1 1 1  -18   15    3 o  466.787  144.274   3.4988   2.3223   3.0184   2.6869   4.9173   4.6169  452.134  156.155  577.427  204.325 -125.2924 257.1637 
1 1 1  -18   15    5 o  1918.77  113.755   58.752   6.8041   54.204   9.5369   63.467   9.7102  1821.96  169.096  1977.51  158.139 -155.5490 231.5200 
1 1 1  -18   15    7 o  543.561  163.166   4.8409   2.9993   8.0701   4.2294   1.5739   4.2541  691.308  189.663  460.809  187.588 230.4984 266.7604 
1 1 1  -18   15    9 o  699.811  154.836   8.1913   3.3030   10.133   4.4385   5.7817   4.9447  773.068  185.689  613.050  211.831 160.0174 281.6957 
1 1 1  -18   15   11 o  909.961  103.816   13.307   2.9051   12.415   3.5273   15.188   5.1220  871.166  133.569  951.742  178.428 -80.57538 222.8835 
1 1 1  -18   15   13 o  1027.12  118.799   17.034   3.7503   17.034   3.7503   0.0000   0.0000  1027.12  118.799  ?   ?  0.000000 118.7995 
1 1 1  -18   15   15 o  1257.45  112.786   25.367   4.3936   25.367   4.3936   0.0000   0.0000  1257.45  112.786  ?   ?  0.000000 112.7857 
1 1 1  -18   15   17 f  438.959  157.415   2.6927   2.7491   2.6927   2.7491   0.0000   0.0000  438.959  157.415  ?   ?  0.000000 157.4146 
1 1 1  -18   15   19 f  1507.04  113.026   36.363   5.2947   36.363   5.2947   0.0000   0.0000  1507.04  113.026  ?   ?  0.000000 113.0259 
1 1 1  -18   15   21 o  592.084  166.077   5.8584   3.2039   5.8584   3.2039   0.0000   0.0000  592.084  166.077  ?   ?  0.000000 166.0775 
1 1 1  -18   15   23 o  1472.29  167.356   35.637   7.5782   35.637   7.5782   0.0000   0.0000  1472.29  167.356  ?   ?  0.000000 167.3563 
1 1 1  -18   15   25 o  2372.83  122.310   90.255   9.0566   90.255   9.0566   0.0000   0.0000  2372.83  122.310  ?   ?  0.000000 122.3097 
1 1 1  -18   15   27 o  1086.71  127.394   19.184   4.2527   19.184   4.2527   0.0000   0.0000  1086.71  127.394  ?   ?  0.000000 127.3939 
1 1 1  -18   15   29 o  3632.88  149.760  214.379   17.036  214.379   17.036   0.0000   0.0000  3632.88  149.760  ?   ?  0.000000 149.7604 
1 1 1  -18   15   31 o  2635.76  129.199  112.130   10.663  112.130   10.663   0.0000   0.0000  2635.76  129.199  ?   ?  0.000000 129.1989 
1 1 1  -18   15   33 o  1475.90  120.004   35.318   5.4978   35.318   5.4978   0.0000   0.0000  1475.90  120.004  ?   ?  0.000000 120.0035 
1 1 1  -18   15   35 o  1451.77  119.926   34.273   5.4028   34.273   5.4028   0.0000   0.0000  1451.77  119.926  ?   ?  0.000000 119.9257 
1 1 1  -18   15   37 f  1035.22  140.908   17.880   4.4489   14.905   6.2159   21.006   6.3702  905.742  221.103  1096.57  192.550 -190.8248 293.1932 
1 1 1  -18   15   39 o  573.492  156.319   5.7100   2.8840   4.8228   3.5528   7.4239   4.9382  536.678  179.664  646.524  211.632 -109.8461 277.6102 
1 1 1  -18   15   41 o  2156.71  100.039   75.632   6.7558   71.027   8.3014   84.664   11.625  2061.32  129.269  2201.71  169.945 -140.3899 213.5224 
1 1 1  -18   15   43 o  1571.69  100.884   40.910   4.9386   41.665   6.0841   39.450   8.4562  1563.42  125.334  1447.22  191.292 116.1938 228.6945 
1 1 1  -18   15   45 o  1799.58  126.762   56.775   7.0973   54.744   10.043   58.803   10.032  1647.03  198.749  1725.54  188.740 -78.51758 274.0876 
1 1 1  -18   15   47 o  1074.38  154.573   22.268   5.0503   22.682   6.9182   21.796   7.3895  975.640  230.180  917.791  250.245 57.84955 340.0076 
1 1 1  -18   15   49 f  355.417  153.374   1.4471   3.1120   1.4251   3.6807   1.5023   5.8277  369.758  163.020  413.132  191.089 -43.37378 251.1778 
1 1 1  -18   15   51 f  455.719  176.069   5.0879   3.5666   8.3622   4.3413  -1.7106   6.2556  547.460  197.640  360.531  175.203 186.9286 264.1171 
1 1 1  -18   15   53 o  1466.41  115.286   42.086   5.2509   41.874   6.3318   42.552   9.3965  1374.64  149.514  1006.57  285.148 368.0673 321.9691 
1 1 1  -18   15   55 o  1107.56  171.393   32.178   5.7520   32.178   5.7520   0.0000   0.0000  1107.56  171.393  ?   ?  0.000000 171.3932 
1 1 1  -18   16    2 o  541.694  200.431   3.8718   4.5064   3.8718   4.5064   0.0000   0.0000  541.694  200.431  ?   ?  0.000000 200.4306 
1 1 1  -18   16    4 f  636.720  169.490   6.7674   3.4389   8.0223   4.7522   5.3876   4.9828  693.870  204.704  603.529  212.404 90.34039 294.9904 
1 1 1  -18   16    6 o  623.966  162.374   6.4962   3.2030   8.6561   4.3230   3.8673   4.7692  717.101  189.625  549.042  205.587 168.0593 279.6851 
1 1 1  -18   16    8 o  594.441  137.055   5.8629   2.4989   5.0430   2.8912   8.2838   4.9681  553.266  158.661  704.568  209.659 -151.3016 262.9261 
1 1 1  -18   16   10 f  405.864  143.089   2.3300   2.2622   2.2319   2.6804   2.5731   4.2179  417.900  154.587  490.218  190.892 -72.31830 245.6360 
1 1 1  -18   16   12 o  1282.15  115.075   26.313   4.5707   26.313   4.5707   0.0000   0.0000  1282.15  115.075  ?   ?  0.000000 115.0745 
1 1 1  -18   16   14 o  1188.01   98.465   22.482   3.6298   25.129   4.4042   16.876   6.4093  1253.08  113.476  996.711  211.892 256.3709 240.3643 
1 1 1  -18   16   16 o  590.977  145.828   5.8136   2.6820   6.9306   3.2053   3.2055   4.8978  643.878  159.747  532.655  206.179 111.2236 260.8231 
1 1 1  -18   16   18 o  1332.19   95.185   28.207   3.9444   26.098   4.7670   32.784   7.0243  1275.28  120.818  1418.28  161.024 -143.0034 201.3099 
1 1 1  -18   16   20 o  1522.43   95.612   36.810   4.5348   35.085   5.5495   40.276   7.8670  1479.91  120.811  1572.70  162.074 -92.79163 202.1468 
1 1 1  -18   16   22 o  594.860  165.753   5.8931   3.2025   8.3446   4.5533   3.4933   4.5050  703.409  198.227  527.820  199.360 175.5891 281.1377 
1 1 1  -18   16   24 o  1283.56  177.282   27.257   6.9351   27.257   6.9351   0.0000   0.0000  1283.56  177.282  ?   ?  0.000000 177.2822 
1 1 1  -18   16   26 o  1780.67  164.165   51.855   9.0503   51.855   9.0503   0.0000   0.0000  1780.67  164.165  ?   ?  0.000000 164.1651 
1 1 1  -18   16   28 o  1428.46  168.067   33.694   7.3736   33.694   7.3736   0.0000   0.0000  1428.46  168.067  ?   ?  0.000000 168.0671 
1 1 1  -18   16   30 o  1324.35  178.668   29.331   7.2200   29.331   7.2200   0.0000   0.0000  1324.35  178.668  ?   ?  0.000000 178.6677 
1 1 1  -18   16   32 o  1286.30  172.966   27.701   6.7900   27.701   6.7900   0.0000   0.0000  1286.30  172.966  ?   ?  0.000000 172.9662 
1 1 1  -18   16   34 o  2519.75  183.612  106.449   14.387  106.449   14.387   0.0000   0.0000  2519.75  183.612  ?   ?  0.000000 183.6123 
1 1 1  -18   16   36 o  585.710  212.364   5.2843   5.0201   5.2843   5.0201   0.0000   0.0000  585.710  212.364  ?   ?  0.000000 212.3639 
1 1 1  -18   16   38 o  1575.93  177.598   42.580   8.6110   42.580   8.6110   0.0000   0.0000  1575.93  177.598  ?   ?  0.000000 177.5977 
1 1 1  -18   16   40 o  2037.93  181.060   72.964   11.434   72.964   11.434   0.0000   0.0000  2037.93  181.060  ?   ?  0.000000 181.0598 
1 1 1  -18   16   42 o  1998.95  188.291   73.614   11.647   73.614   11.647   0.0000   0.0000  1998.95  188.291  ?   ?  0.000000 188.2909 
1 1 1  -18   16   44 o  1314.07  201.680   34.316   8.0334   34.316   8.0334   0.0000   0.0000  1314.07  201.680  ?   ?  0.000000 201.6797 
1 1 1  -18   16   46 o  805.251  242.553   15.986   6.6195   15.986   6.6195   0.0000   0.0000  805.251  242.553  ?   ?  0.000000 242.5525 
1 1 1  -18   16   48 o  1925.60  216.480   86.008   12.826   86.008   12.826   0.0000   0.0000  1925.60  216.480  ?   ?  0.000000 216.4799 
1 1 1  -18   16   50 o  555.869  229.039   9.8802   6.4385   9.8802   6.4385   0.0000   0.0000  555.869  229.039  ?   ?  0.000000 229.0393 
1 1 1  -18   16   52 o  735.308  261.785   21.979   7.5899   21.979   7.5899   0.0000   0.0000  735.308  261.785  ?   ?  0.000000 261.7849 
1 1 1  -18   16   54 o  1027.22  278.810   44.496   9.1974   44.496   9.1974   0.0000   0.0000  1027.22  278.810  ?   ?  0.000000 278.8097 
1 1 1  -18   17    1 o  463.380  174.585   2.5809   3.4496   3.6152   4.6794   1.3497   5.1054  540.851  203.423  493.247  203.672 47.60443 287.8591 
1 1 1  -18   17    3 o  1391.00  115.646   30.842   4.9914   30.842   4.9914   0.0000   0.0000  1391.00  115.646  ?   ?  0.000000 115.6459 
1 1 1  -18   17    5 o  2396.91   99.562   90.719   7.4724   94.817   9.1078   82.281   13.070  2446.01  118.916  2251.58  187.076 194.4226 221.6714 
1 1 1  -18   17    7 o  360.313  140.626   1.2771   2.2930   1.4427   2.6413   0.7708   4.6197  385.085  150.753  458.179  191.833 -73.09406 243.9806 
1 1 1  -18   17    9 o  1384.97   97.234   30.428   4.1900   31.300   5.0162   28.417   7.6209  1401.08  115.364  1313.83  190.827 87.24646 222.9887 
1 1 1  -18   17   11 o  472.526  152.236   3.4838   2.5608   4.3231   2.9936   1.1944   4.9443  521.541  164.237  482.326  199.900 39.21454 258.7152 
1 1 1  -18   17   13 o  1446.40  120.132   33.407   5.3916   30.552   7.5048   36.451   7.7508  1366.14  179.807  1497.87  168.160 -131.7325 246.1879 
1 1 1  -18   17   15 o  2128.21  167.559   73.193   11.076   73.193   11.076   0.0000   0.0000  2128.21  167.559  ?   ?  0.000000 167.5586 
1 1 1  -18   17   17 o  1042.43  137.282   17.602   4.3720   21.072   6.0815   13.891   6.2897  1130.69  177.627  903.269  223.581 227.4211 285.5515 
1 1 1  -18   17   19 o  1140.03  127.416   20.922   4.4706   23.028   6.0916   18.464   6.5814  1185.11  168.938  1046.95  208.091 138.1552 268.0332 
1 1 1  -18   17   23 o  974.234  143.763   15.510   4.2538   11.077   5.9070   20.284   6.1308  805.669  225.334  1104.17  183.783 -298.4976 290.7779 
1 1 1  -18   17   25 o  533.231  199.885   3.6701   4.5107   3.6701   4.5107   0.0000   0.0000  533.231  199.885  ?   ?  0.000000 199.8846 
1 1 1  -18   17   27 o  3451.29  144.216  191.687   15.585  196.558   22.047  186.822   22.035  3442.04  205.497  3350.27  211.123 91.77075 294.6212 
1 1 1  -18   17   29 o  1380.38  124.924   30.740   5.3411   36.616   7.4772   24.619   7.6320  1493.06  162.562  1201.41  210.551 291.6451 266.0045 
1 1 1  -18   17   31 o  1907.06  119.652   58.440   7.1088   62.361   10.116   54.614   9.9921  1946.80  167.575  1815.38  178.074 131.4226 244.5233 
1 1 1  -18   17   33 o  2789.96  130.151  125.451   11.370  122.345   15.976  128.639   16.185  2706.73  189.701  2778.03  187.153 -71.30933 266.4819 
1 1 1  -18   17   35 o  1422.44  181.230   34.192   7.8886   34.192   7.8886   0.0000   0.0000  1422.44  181.230  ?   ?  0.000000 181.2300 
1 1 1  -18   17   37 o  2842.48  197.032  139.158   17.429  139.158   17.429   0.0000   0.0000  2842.48  197.032  ?   ?  0.000000 197.0320 
1 1 1  -18   17   39 o  1556.24  183.546   42.515   8.7721   42.515   8.7721   0.0000   0.0000  1556.24  183.546  ?   ?  0.000000 183.5461 
1 1 1  -18   17   41 o  1194.13  205.159   26.831   7.3947   26.831   7.3947   0.0000   0.0000  1194.13  205.159  ?   ?  0.000000 205.1587 
1 1 1  -18   17   43 o  441.603  193.476   1.0999   5.1116   1.0999   5.1116   0.0000   0.0000  441.603  193.476  ?   ?  0.000000 193.4758 
1 1 1  -18   17   45 o  2083.31  200.532   87.912   12.920   87.912   12.920   0.0000   0.0000  2083.31  200.532  ?   ?  0.000000 200.5319 
1 1 1  -18   17   47 f  2075.97  213.354   95.134   13.671   95.134   13.671   0.0000   0.0000  2075.97  213.354  ?   ?  0.000000 213.3537 
1 1 1  -18   17   49 f  608.503  234.413   10.816   6.3076   10.816   6.3076   0.0000   0.0000  608.503  234.413  ?   ?  0.000000 234.4125 
1 1 1  -18   17   51 o  1320.40  242.444   48.736   9.6545   48.736   9.6545   0.0000   0.0000  1320.40  242.444  ?   ?  0.000000 242.4437 
1 1 1  -18   17   53 o  1111.41  271.914   44.615   9.3852   44.615   9.3852   0.0000   0.0000  1111.41  271.914  ?   ?  0.000000 271.9136 
1 1 1  -18   18    2 f  1157.98  123.741   21.463   4.4173   21.318   5.9445   21.643   6.6008  1142.78  171.413  1146.41  190.574 -3.631714 256.3217 
1 1 1  -18   18    4 o  1448.31   99.113   33.231   4.4678   38.612   5.4376   22.049   7.8382  1559.26  112.120  1146.98  226.282 412.2766 252.5357 
1 1 1  -18   18    6 o  409.823  180.837  -1.2067   4.5387  -1.2067   4.5387   0.0000   0.0000  409.823  180.837  ?   ?  0.000000 180.8370 
1 1 1  -18   18    8 o  891.118  154.220   13.000   4.1474   13.472   5.7530   12.489   5.9846  895.757  208.940  861.162  220.872 34.59479 304.0399 
1 1 1  -18   18   10 o  389.075  162.704   0.5018   3.3176  -5.2900   4.5775   6.9106   4.8152  340.478  161.229  657.001  208.449 -316.5236 263.5254 
1 1 1  -18   18   12 o  360.579  165.363  -2.8949   4.2346  -2.8949   4.2346   0.0000   0.0000  360.579  165.363  ?   ?  0.000000 165.3632 
1 1 1  -18   18   14 o  1329.95  177.601   28.867   7.2113   28.867   7.2113   0.0000   0.0000  1329.95  177.601  ?   ?  0.000000 177.6013 
1 1 1  -18   18   16 o  682.524  173.879   7.7637   3.7265   6.9944   5.2226   8.5617   5.3189  664.840  217.641  720.604  217.505 -55.76410 307.6944 
1 1 1  -18   18   18 o  944.973  144.337   14.549   4.1354   14.303   5.5182   14.864   6.2456  923.529  196.842  937.097  217.106 -13.56830 293.0561 
1 1 1  -18   18   22 f  883.445  159.549   12.893   4.2512   9.3183   5.8408   16.921   6.1993  747.747  228.427  1001.86  204.534 -254.1133 306.6153 
1 1 1  -18   18   24 o  3359.58  141.491  180.606   14.884  196.077   21.101  165.284   20.999  3461.99  195.454  3164.85  213.136 297.1438 289.1868 
1 1 1  -18   18   26 o  1306.38  128.050   27.483   5.1707   26.619   7.0117   28.512   7.6555  1268.01  181.798  1309.01  192.525 -40.99475 264.7947 
1 1 1  -18   18   28 o  2039.94  122.908   66.633   7.8142   71.515   10.984   61.629   11.119  2093.37  169.009  1934.14  185.889 159.2269 251.2344 
1 1 1  -18   18   30 f  1521.97  124.085   37.265   5.8620   35.245   8.0086   39.597   8.6035  1459.03  179.055  1546.64  181.081 -87.60754 254.6587 
1 1 1  -18   18   32 o  1064.78  145.906   18.640   4.7367   25.432   6.3079   9.8590   7.1724  1238.31  166.935  764.191  255.278 474.1245 305.0148 
1 1 1  -18   18   34 o  634.728  186.715   6.8646   3.9587   7.4266   5.2291   6.1099   6.0591  664.897  217.782  635.836  232.883 29.06091 318.8470 
1 1 1  -18   18   36 o  681.838  191.285   8.1518   4.2499   11.036   5.7516   4.6834   6.3074  782.132  223.623  594.636  232.914 187.4959 322.8870 
1 1 1  -18   18   38 o  1166.70  144.610   22.960   5.1697   23.902   7.0713   21.879   7.5770  1152.88  203.312  1082.18  230.658 70.70447 307.4722 
1 1 1  -18   18   40 o  1205.90  147.930   25.047   5.4686   23.819   7.6937   26.300   7.7745  1109.42  229.063  1176.83  219.042 -67.40417 316.9371 
1 1 1  -18   18   42 o  943.415  180.617   16.578   5.1412   15.077   7.1539   18.181   7.3936  831.829  252.512  920.197  250.069 -88.36798 355.3828 
1 1 1  -18   18   44 o  2120.89  201.431   88.859   13.216   88.859   13.216   0.0000   0.0000  2120.89  201.431  ?   ?  0.000000 201.4306 
1 1 1  -18   18   46 o  1758.30  136.105   55.636   7.4351   43.135   10.035   70.852   11.071  1375.26  241.859  1872.32  191.535 -497.0648 308.5147 
1 1 1  -18   18   48 o  854.924  201.353   16.227   5.3013   18.660   7.1678   13.290   7.8764  828.683  253.027  659.238  259.637 169.4457 362.5379 
1 1 1  -18   18   50 f  567.379  212.844   8.6676   5.1164   9.6103   6.8783   7.4998   7.6553  557.322  233.751  513.549  230.200 43.77283 328.0722 
1 1 1  -18   18   52 o  467.538  212.481   6.7398   6.7886   6.7398   6.7886   0.0000   0.0000  467.538  212.481  ?   ?  0.000000 212.4812 
1 1 1  -18   19    1 o  665.603  227.562   6.6809   5.7008   6.6809   5.7008   0.0000   0.0000  665.603  227.562  ?   ?  0.000000 227.5617 
1 1 1  -18   19    3 o  557.133  216.030   3.3194   5.3843   3.3194   5.3843   0.0000   0.0000  557.133  216.030  ?   ?  0.000000 216.0301 
1 1 1  -18   19    5 o  1180.76  137.520   22.393   4.9892   24.274   7.1863   20.644   6.9322  1215.48  195.441  1116.05  205.955 99.42944 283.9271 
1 1 1  -18   19    7 o  336.562  152.073  -1.7920   3.4173   3.2939   4.5679  -8.2559   5.1497  528.891  200.509  332.934  161.112 195.9570 257.2182 
1 1 1  -18   19    9 o  2096.53  123.964   69.789   8.1018   74.596   11.273   64.655   11.651  2155.39  168.371  1999.36  188.329 156.0347 252.6191 
1 1 1  -18   19   11 o  600.889  229.455   4.2347   6.0093   0.0000   0.0000   4.2347   6.0093  ?   ?   600.889  229.455 0.000000 229.4550 
1 1 1  -18   19   13 o  1402.04  178.703   31.974   7.6669   31.974   7.6669   0.0000   0.0000  1402.04  178.703  ?   ?  0.000000 178.7026 
1 1 1  -18   19   15 o  496.647  183.661   3.1562   3.7828  -2.5516   4.9413   11.237   5.8796  403.272  182.482  817.979  223.297 -414.7072 288.3766 
1 1 1  -18   19   17 o  432.552  174.504   1.4097   3.6442   3.6047   4.7251  -1.8124   5.7249  542.263  204.323  452.738  201.266 89.52576 286.8031 
1 1 1  -18   19   19 o  925.955  151.247   14.021   4.2338   11.787   5.6804   16.813   6.3505  835.548  215.656  1000.31  209.463 -164.7575 300.6358 
1 1 1  -18   19   21 o  1482.05  125.250   35.118   5.7580   34.347   7.7750   36.056   8.5689  1451.54  174.561  1482.85  188.833 -31.30835 257.1563 
1 1 1  -18   19   23 o  1221.10  137.786   24.059   5.1762   27.185   6.9492   20.164   7.7579  1287.31  177.088  1087.31  234.740 199.9974 294.0460 
1 1 1  -18   19   25 o  1442.98  177.688   34.117   7.8589   34.117   7.8589   0.0000   0.0000  1442.98  177.688  ?   ?  0.000000 177.6876 
1 1 1  -18   19   27 o  2355.80  126.713   88.682   9.3127   91.387   12.955   85.790   13.396  2369.73  175.850  2289.18  188.566 80.55396 257.8377 
1 1 1  -18   19   29 o  1394.23  187.428   32.235   7.9752   32.235   7.9752   0.0000   0.0000  1394.23  187.428  ?   ?  0.000000 187.4279 
1 1 1  -18   19   31 o  3758.74  223.774  237.632   26.218  237.632   26.218   0.0000   0.0000  3758.74  223.774  ?   ?  0.000000 223.7740 
1 1 1  -18   19   33 o  1692.19  181.070   47.818   9.4454   47.818   9.4454   0.0000   0.0000  1692.19  181.070  ?   ?  0.000000 181.0700 
1 1 1  -18   19   35 o  518.484  195.923   3.6697   4.3523   7.3858   5.5959  -2.0199   6.9243  661.083  225.461  481.435  217.099 179.6482 312.9935 
1 1 1  -18   19   37 o  1087.65  162.414   20.265   5.3619   31.110   7.2830   7.4315   7.9230  1340.94  177.841  677.919  262.282 663.0268 316.8898 
1 1 1  -18   19   39 f  581.210  204.883   5.8671   4.6380   2.7751   6.0866   10.148   7.1620  525.153  220.054  722.802  254.623 -197.6490 336.5356 
1 1 1  -18   19   41 o  2106.76  132.503   75.293   8.6964   72.305   12.061   78.528   12.551  1974.85  197.694  2059.45  197.037 -84.60498 279.1173 
1 1 1  -18   19   43 o  1853.59  138.832   59.830   7.9994   56.471   10.972   63.641   11.687  1694.99  211.322  1799.50  211.447 -104.5118 298.9429 
1 1 1  -18   19   45 o  659.577  213.293   9.3432   5.0233   9.3350   6.4805   9.3555   7.9508  640.449  239.683  633.635  257.009 6.813782 351.4277 
1 1 1  -18   19   47 o  972.701  193.075   19.616   5.6731   14.548   7.2906   27.395   9.0324  735.763  257.048  1012.38  276.931 -276.6151 377.8418 
1 1 1  -18   19   49 o  729.813  223.795   13.467   5.6003   11.383   7.1779   16.709   8.9530  618.379  246.484  688.697  275.038 -70.31836 369.3240 
1 1 1  -18   20    2 o  855.651  233.667   12.240   6.4370   0.0000   0.0000   12.240   6.4370  ?   ?   855.651  233.667 0.000000 233.6670 
1 1 1  -18   20    6 o  362.044  162.718  -1.7872   3.8522   2.0007   5.2661  -6.1471   5.6497  518.265  209.531  383.235  180.761 135.0301 276.7263 
1 1 1  -18   20    8 o  740.539  184.566   9.1117   4.2645   7.7223   6.1029   10.437   5.9613  706.133  235.470  793.499  227.904 -87.36597 327.6987 
1 1 1  -18   20   10 o  886.755  167.728   12.931   4.4866   7.3183   6.3864   18.401   6.3045  698.534  240.775  1054.55  198.202 -356.0143 311.8601 
1 1 1  -18   20   12 o  599.712  221.957   4.6607   5.5271   4.6607   5.5271   0.0000   0.0000  599.712  221.957  ?   ?  0.000000 221.9572 
1 1 1  -18   20   14 o  1311.96  192.794   28.186   7.6839   28.186   7.6839   0.0000   0.0000  1311.96  192.794  ?   ?  0.000000 192.7943 
1 1 1  -18   20   16 o  1232.87  136.755   24.405   5.1904   26.089   6.9412   22.268   7.8173  1264.14  180.480  1153.60  224.490 110.5402 288.0431 
1 1 1  -18   20   18 o  531.083  192.824   3.8021   4.1408   12.752   5.3102 -10.0829   6.6143  872.843  198.745  380.873  183.879 491.9704 270.7605 
1 1 1  -18   20   20 o  610.503  216.348   5.3625   5.1781   5.3625   5.1781   0.0000   0.0000  610.503  216.348  ?   ?  0.000000 216.3476 
1 1 1  -18   20   22 o  1296.28  197.450   27.728   7.7613   27.728   7.7613   0.0000   0.0000  1296.28  197.450  ?   ?  0.000000 197.4504 
1 1 1  -18   20   24 o  1172.38  142.778   22.220   5.1331   28.566   7.0383   15.010   7.5026  1322.25  174.238  936.279  250.850 385.9731 305.4254 
1 1 1  -18   20   26 o  1611.09  130.856   41.588   6.5443   36.866   8.8180   47.378   9.7642  1496.16  192.704  1701.30  186.337 -205.1392 268.0602 
1 1 1  -18   20   28 o  1707.24  131.968   46.795   7.0000   53.371   9.6435   39.471   10.177  1808.71  172.360  1534.23  217.967 274.4825 277.8805 
1 1 1  -18   20   30 o  1760.15  177.968   51.014   9.6739   51.014   9.6739   0.0000   0.0000  1760.15  177.968  ?   ?  0.000000 177.9683 
1 1 1  -18   20   32 o  934.081  180.506   14.826   5.0885   15.874   6.7987   13.491   7.6727  947.748  231.160  868.715  261.017 79.03259 348.6617 
1 1 1  -18   20   34 o  656.837  226.591   7.1822   5.6567   7.1822   5.6567   0.0000   0.0000  656.837  226.591  ?   ?  0.000000 226.5906 
1 1 1  -18   20   36 o  403.890  176.163  -0.1423   4.1958  -4.3257   5.1229   8.3830   7.3132  370.619  173.972  698.527  255.851 -327.9083 309.3957 
1 1 1  -18   20   38 o  463.711  188.973   2.2044   4.3230   2.8948   5.4375   1.0184   7.1270  515.106  211.156  523.547  228.939 -8.440674 311.4483 
1 1 1  -18   20   40 o  865.914  200.210   14.052   5.3200   12.844   7.0348   15.666   8.1311  792.671  252.002  858.933  270.700 -66.26160 369.8424 
1 1 1  -18   20   42 o  948.817  204.809   17.388   5.9065   9.0184   7.8929   28.041   8.9044  667.855  260.836  1157.50  252.760 -489.6492 363.2123 
1 1 1  -18   20   44 o  450.076  193.949   1.7692   4.9621   0.3617   6.2097   4.2557   8.2536  456.810  205.831  559.548  245.482 -102.7382 320.3560 
1 1 1  -18   20   46 o  934.731  207.186   18.229   5.9048   18.357   7.5180   18.023   9.5398  865.744  257.977  789.784  291.742 75.95972 389.4425 
1 1 1  -18   20   48 o  857.577  301.551   24.297   10.041   0.0000   0.0000   24.297   10.041  ?   ?   857.577  301.551 0.000000 301.5508 
1 1 1  -18   21    1 o  820.982  203.077   11.216   5.1916   24.616   7.3863  -1.8675   7.2986  1225.51  199.335  519.506  229.274 706.0044 303.8103 
1 1 1  -18   21    3 o  765.007  249.290   9.2290   6.8549   0.0000   0.0000   9.2290   6.8549  ?   ?   765.007  249.290 0.000000 249.2901 
1 1 1  -18   21   13 o  449.359  186.701   0.8499   4.3284   9.4124   5.8420  -9.5710   6.4448  758.399  227.733  379.727  182.879 378.6718 292.0740 
1 1 1  -18   21   15 o  545.992  200.173   3.9022   4.4781   11.986   5.8740  -7.3150   6.9196  846.311  219.724  425.515  200.503 420.7960 297.4566 
1 1 1  -18   21   17 o  1011.51  175.145   16.786   5.3464   19.152   7.0039   13.483   8.2765  1071.55  216.198  899.726  271.264 171.8243 346.8799 
1 1 1  -18   21   19 o  1019.48  172.021   17.037   5.2959   13.470   6.8961   22.163   8.2681  894.111  240.897  1147.80  237.867 -253.6871 338.5445 
1 1 1  -18   21   21 o  1492.75  141.385   35.713   6.5298   42.210   8.7234   27.434   9.8476  1614.54  175.371  1272.54  256.009 342.0061 310.3148 
1 1 1  -18   21   23 o  1114.17  148.011   20.112   5.0359   22.920   7.4028   17.694   6.8708  1173.09  209.205  1024.57  220.683 148.5214 304.0851 
1 1 1  -18   21   25 o  2092.43  125.253   69.786   8.1687   74.658   11.805   65.309   11.316  2145.85  177.272  2004.13  182.310 141.7157 254.2878 
1 1 1  -18   21   27 o  1681.99  182.343   46.366   9.4497   46.366   9.4497   0.0000   0.0000  1681.99  182.343  ?   ?  0.000000 182.3432 
1 1 1  -18   21   29 o  2100.47  129.348   70.861   8.4660   85.267   11.957   56.378   11.989  2285.55  168.257  1833.17  212.819 452.3893 271.2975 
1 1 1  -18   21   31 o  752.395  204.727   9.7961   4.9518   2.6620   6.1485   22.964   8.3534  551.903  225.192  1139.94  241.534 -588.0411 330.2275 
1 1 1  -18   21   33 o  571.289  209.714   4.8231   4.9174   2.0431   6.4145   8.7854   7.6581  540.810  226.205  727.918  262.542 -187.1078 346.5501 
1 1 1  -18   21   35 o  1274.43  160.422   27.399   6.2599   25.878   8.2251   29.494   9.6504  1196.68  227.828  1260.40  253.312 -63.72632 340.6941 
1 1 1  -18   21   37 o  1644.53  144.909   45.293   7.3857   43.524   9.8942   47.519   11.099  1560.89  207.587  1614.35  225.748 -53.46570 306.6826 
1 1 1  -18   21   39 o  602.386  218.923   6.2536   5.3395   8.6759   6.7819   2.3033   8.6605  683.475  246.980  577.862  252.539 105.6126 353.2356 
1 1 1  -18   21   41 o  1118.76  177.884   22.584   6.0229   17.387   7.9416   29.619   9.2404  904.716  263.981  1208.65  252.310 -303.9294 365.1664 
1 1 1  -18   21   43 o  546.226  235.263   3.5785   7.2938   3.5785   7.2938   0.0000   0.0000  546.226  235.263  ?   ?  0.000000 235.2627 
1 1 1  -18   21   45 o  1114.58  195.530   24.326   6.5752   22.473   8.1881   27.688   11.033  987.178  260.938  1004.13  315.151 -16.95013 409.1560 
1 1 1  -18   21   47 o  838.256  227.148   15.914   6.1107   15.867   7.5955   16.001   10.288  779.391  262.687  719.500  292.176 59.89056 392.9011 
1 1 1  -18   22    2 o  855.706  236.881   12.151   6.5632   21.957   9.0106   1.0692   9.5790  1143.79  257.763  648.685  274.154 495.1014 376.3005 
1 1 1  -18   22    4 o  375.826  177.512  -6.1641   5.4833  -8.8964   7.5624  -3.1353   7.9622  435.548  206.534  525.844  235.306 -90.29510 313.0899 
1 1 1  -18   22    6 o  618.483  259.474   1.3287   8.4792   1.3287   8.4792   0.0000   0.0000  618.483  259.474  ?   ?  0.000000 259.4738 
1 1 1  -18   22    8 f  1155.06  179.615   21.713   6.2852   28.151   8.8034   15.019   8.9764  1307.26  223.070  951.222  281.538 356.0386 359.1986 
1 1 1  -18   22   14 o  348.265  170.999 -12.8427   6.4251   0.0000   0.0000 -12.8427   6.4251  ?   ?   348.265  170.999 0.000000 170.9994 
1 1 1  -18   22   16 o  1451.89  219.013   34.641   9.6472   0.0000   0.0000   34.641   9.6472  ?   ?   1451.89  219.013 0.000000 219.0127 
1 1 1  -18   22   18 o  479.632  211.931  -1.6819   6.2546   0.0000   0.0000  -1.6819   6.2546  ?   ?   479.632  211.931 0.000000 211.9310 
1 1 1  -18   22   20 f  1812.07  135.797   52.358   7.6491   55.361   10.432   48.867   11.249  1850.48  182.412  1727.69  212.415 122.7917 279.9895 
1 1 1  -18   22   22 o  622.127  235.687   4.7593   6.3085   4.7593   6.3085   0.0000   0.0000  622.127  235.687  ?   ?  0.000000 235.6873 
1 1 1  -18   22   24 f  1569.48  131.516   39.439   6.4037   32.154   9.1866   46.324   8.9311  1388.38  218.539  1689.60  171.175 -301.2152 277.5976 
1 1 1  -18   22   26 o  750.738  189.378   9.5160   4.4514   14.738   6.3565   4.4911   6.2357  928.036  221.768  607.983  233.362 320.0533 321.9298 
1 1 1  -18   22   28 o  739.920  207.372   9.3332   4.9974   1.3304   8.1956   14.070   6.3053  593.284  252.296  901.565  224.274 -308.2814 337.5678 
1 1 1  -18   22   30 o  599.361  238.521   3.9630   6.7117   3.9630   6.7117   0.0000   0.0000  599.361  238.521  ?   ?  0.000000 238.5211 
1 1 1  -18   22   32 o  249.688  124.569 -10.0511   3.9502 -11.8346   5.8714  -8.5763   5.3392  325.837  160.665  332.663  161.707 -6.825348 227.9523 
1 1 1  -18   22   34 o  1239.73  227.705   27.464   8.5135   27.464   8.5135   0.0000   0.0000  1239.73  227.705  ?   ?  0.000000 227.7046 
1 1 1  -18   22   36 o  1583.32  206.444   44.212   9.9915   44.212   9.9915   0.0000   0.0000  1583.32  206.444  ?   ?  0.000000 206.4442 
1 1 1  -18   22   38 o  973.282  260.571   18.681   8.0989   18.681   8.0989   0.0000   0.0000  973.282  260.571  ?   ?  0.000000 260.5712 
1 1 1  -18   22   40 o  1464.56  159.096   37.079   7.1786   46.213   9.1599   22.538   11.557  1610.93  184.946  985.509  323.814 625.4216 372.9083 
1 1 1  -18   22   42 o  613.162  254.284   5.9181   8.0077   5.9181   8.0077   0.0000   0.0000  613.162  254.284  ?   ?  0.000000 254.2840 
1 1 1  -18   22   44 o  570.649  227.004   5.7424   6.0770   11.068   7.3807  -5.4679   10.708  708.204  257.387  499.663  239.374 208.5411 351.4941 
1 1 1  -18   23    1 o  1487.96  271.814   36.927   12.198   36.927   12.198   0.0000   0.0000  1487.96  271.814  ?   ?  0.000000 271.8139 
1 1 1  -18   23    3 o  980.496  260.973   16.094   8.1537   13.189   11.589   18.943   11.474  933.158  324.196  1065.22  318.992 -132.0620 454.8177 
1 1 1  -18   23    5 o  384.596  192.232 -25.7334   9.6014 -25.7334   9.6014   0.0000   0.0000  384.596  192.232  ?   ?  0.000000 192.2315 
1 1 1  -18   23    7 f  676.128  278.004   2.8049   9.4609   0.0000   0.0000   2.8049   9.4609  ?   ?   676.128  278.004 0.000000 278.0042 
1 1 1  -18   23    9 o  1383.80  253.561   31.827   10.582   31.827   10.582   0.0000   0.0000  1383.80  253.561  ?   ?  0.000000 253.5613 
1 1 1  -18   23   11 o  445.732  200.695  -2.7926   5.8913  -8.0881   8.6437   1.8014   8.0509  487.055  227.781  613.369  254.718 -126.3138 341.7097 
1 1 1  -18   23   13 o  540.182  215.696   2.4694   5.5057   0.3122   7.4658   5.0411   8.1517  564.524  240.450  683.442  265.587 -118.9175 358.2639 
1 1 1  -18   23   15 f  1172.96  245.524   23.065   8.7283   23.065   8.7283   0.0000   0.0000  1172.96  245.524  ?   ?  0.000000 245.5239 
1 1 1  -18   23   17 o  982.365  274.444   16.311   8.7675   0.0000   0.0000   16.311   8.7675  ?   ?   982.365  274.444 0.000000 274.4445 
1 1 1  -18   23   21 o  1600.77  217.435   42.321   10.617   0.0000   0.0000   42.321   10.617  ?   ?   1600.77  217.435 0.000000 217.4349 
1 1 1  -18   23   23 o  631.560  257.891   3.1268   8.0715   0.0000   0.0000   3.1268   8.0715  ?   ?   631.560  257.891 0.000000 257.8913 
1 1 1  -18   23   25 o  436.985  198.377  -3.0083   5.8965   0.0000   0.0000  -3.0083   5.8965  ?   ?   436.985  198.377 0.000000 198.3772 
1 1 1  -18   23   27 o  1096.60  226.692   20.701   7.5268   0.0000   0.0000   20.701   7.5268  ?   ?   1096.60  226.692 0.000000 226.6919 
1 1 1  -18   23   29 o  617.696  219.168   5.8096   5.3156  -2.2729   9.2999   9.7313   6.4780  566.769  253.913  755.901  241.985 -189.1315 350.7544 
1 1 1  -18   23   31 o  338.706  159.789  -4.5236   4.4188 -13.2945   6.9562   1.4098   5.7214  359.534  176.813  507.729  213.082 -148.1951 276.8877 
1 1 1  -18   23   33 o  964.727  188.548   16.069   5.4915   17.460   8.2558   14.965   7.3544  970.564  264.454  904.646  250.868 65.91785 364.5143 
1 1 1  -18   23   35 o  382.975  176.465  -2.9853   4.9005  -8.4643   7.1843   1.7820   6.7015  407.816  195.558  539.136  228.661 -131.3192 300.8803 
1 1 1  -18   23   37 o  754.767  269.054   10.456   8.0197   10.456   8.0197   0.0000   0.0000  754.767  269.054  ?   ?  0.000000 269.0540 
1 1 1  -18   23   39 o  870.994  272.845   15.324   8.2741   15.324   8.2741   0.0000   0.0000  870.994  272.845  ?   ?  0.000000 272.8449 
1 1 1  -18   23   41 o  527.467  216.805   3.3501   5.7515   0.8230   7.5362   6.8751   8.9007  523.265  231.850  655.137  269.543 -131.8723 355.5388 
1 1 1  -18   23   43 o  510.417  232.070  -0.2106   8.1093  -0.2106   8.1093   0.0000   0.0000  510.417  232.070  ?   ?  0.000000 232.0699 
1 1 1  -18   24    2 o  403.783  198.773 -18.3249   8.8659 -18.3249   8.8659   0.0000   0.0000  403.783  198.773  ?   ?  0.000000 198.7733 
1 1 1  -18   24    4 o  1092.25  309.216   20.158   11.053   20.158   11.053   0.0000   0.0000  1092.25  309.216  ?   ?  0.000000 309.2164 
1 1 1  -18   24    6 o  670.398  281.473   1.6425   9.9906   1.6425   9.9906   0.0000   0.0000  670.398  281.473  ?   ?  0.000000 281.4733 
1 1 1  -18   24    8 o  459.294  209.556  -4.1297   6.6857  -5.7320   9.9747  -2.8227   9.0089  562.893  256.490  568.205  252.543 -5.311646 359.9514 
1 1 1  -18   24   10 f  643.383  239.471   5.2493   6.4518   5.8954   9.0266   4.5745   9.2251  724.410  280.041  702.042  279.558 22.36816 395.6964 
1 1 1  -18   24   12 o  541.873  243.638  -3.6978   8.6463   0.0000   0.0000  -3.6978   8.6463  ?   ?   541.873  243.638 0.000000 243.6378 
1 1 1  -18   24   16 o  938.863  288.009   14.711   9.2741   0.0000   0.0000   14.711   9.2741  ?   ?   938.863  288.009 0.000000 288.0085 
1 1 1  -18   24   18 o  454.167  210.579  -5.6895   7.1405  -5.6895   7.1405   0.0000   0.0000  454.167  210.579  ?   ?  0.000000 210.5793 
1 1 1  -18   24   20 o  504.691  228.869  -3.8823   7.8217  -3.8823   7.8217   0.0000   0.0000  504.691  228.869  ?   ?  0.000000 228.8689 
1 1 1  -18   24   22 o  655.803  255.010   4.9482   7.5189   4.9482   7.5189   0.0000   0.0000  655.803  255.010  ?   ?  0.000000 255.0095 
1 1 1  -18   24   24 o  555.921  218.443   3.2568   5.5633   0.5192   7.5126   6.5811   8.2785  561.118  240.154  708.327  269.595 -147.2092 361.0477 
1 1 1  -18   24   26 o  1024.88  281.115   18.656   9.2926   0.0000   0.0000   18.656   9.2926  ?   ?   1024.88  281.115 0.000000 281.1150 
1 1 1  -18   24   28 o  831.818  284.448   11.660   8.9073   0.0000   0.0000   11.660   8.9073  ?   ?   831.818  284.448 0.000000 284.4481 
1 1 1  -18   24   30 o  759.094  269.281   9.3928   8.0239   0.0000   0.0000   9.3928   8.0239  ?   ?   759.094  269.281 0.000000 269.2815 
1 1 1  -18   24   36 o  605.285  220.131   5.7887   5.4000   9.6435   8.1191   2.7309   7.2312  744.046  270.026  572.108  239.798 171.9383 361.1327 
1 1 1  -18   24   38 o  510.271  211.405   2.3547   5.5270  -7.7811   7.8740   12.199   7.7599  435.218  207.616  799.210  265.471 -363.9924 337.0150 
1 1 1  -18   24   40 o  901.243  221.699   15.319   6.2133   20.058   8.8357   10.683   8.7389  990.997  275.033  746.993  278.572 244.0044 391.4654 
1 1 1  -18   25    1 o  475.080  213.409  -2.8764   6.6164 -19.0865   9.7870   10.768   8.9790  430.837  211.442  836.282  285.593 -405.4452 355.3467 
1 1 1  -18   25    3 o  775.108  248.310   9.5871   6.8202   20.159   9.7941  -0.3655   9.5029  1089.56  284.133  621.063  268.013 468.4964 390.5924 
1 1 1  -18   25    5 o  381.762  184.109 -10.0103   6.5869   4.6996  10.0000 -21.2831   8.7542  723.817  290.105  379.793  188.822 344.0243 346.1422 
1 1 1  -18   25    7 o  966.096  317.948   15.068   11.140   15.068   11.140   0.0000   0.0000  966.096  317.948  ?   ?  0.000000 317.9481 
1 1 1  -18   25    9 o  665.949  282.664   1.0369   10.253   1.0369   10.253   0.0000   0.0000  665.949  282.664  ?   ?  0.000000 282.6645 
1 1 1  -18   25   13 o  872.979  290.411   12.151   9.2851   12.151   9.2851   0.0000   0.0000  872.979  290.411  ?   ?  0.000000 290.4112 
1 1 1  -18   25   15 f  758.587  278.061   7.9798   8.6404   0.0000   0.0000   7.9798   8.6404  ?   ?   758.587  278.061 0.000000 278.0606 
1 1 1  -18   25   17 o  441.892  209.819  -9.1544   7.8550  -9.1544   7.8550   0.0000   0.0000  441.892  209.819  ?   ?  0.000000 209.8194 
1 1 1  -18   25   19 o  522.224  221.220   0.6344   6.2603  -2.8419   8.2050   5.4774   9.6844  534.058  238.933  723.284  286.932 -189.2255 373.3880 
1 1 1  -18   25   21 o  1494.70  169.570   36.325   7.7959   38.931   11.147   33.831   10.907  1520.51  242.255  1409.45  256.595 111.0585 352.8853 
1 1 1  -18   25   23 o  659.884  237.271   6.3213   6.2497   2.7223   8.2355   11.208   9.5964  626.561  258.696  840.675  294.841 -214.1144 392.2429 
1 1 1  -18   25   25 o  645.467  233.617   6.0221   6.0713   4.9734   8.2332   7.2722   8.9886  670.095  264.963  736.818  280.805 -66.72290 386.0783 
1 1 1  -18   25   27 o  1087.14  318.851   21.531   11.560   21.531   11.560   0.0000   0.0000  1087.14  318.851  ?   ?  0.000000 318.8513 
1 1 1  -18   25   29 o  495.386  236.232 -11.2624   10.175 -11.2624   10.175   0.0000   0.0000  495.386  236.232  ?   ?  0.000000 236.2318 
1 1 1  -18   25   31 o  944.756  255.768   16.007   7.7518   9.4128   11.432   21.619   10.547  804.391  313.984  1078.11  300.936 -273.7219 434.9120 
1 1 1  -18   25   33 o  588.761  258.462   0.0008   9.1622   0.0000   0.0000   0.0008   9.1622  ?   ?   588.761  258.462 0.000000 258.4616 
1 1 1  -18   25   35 o  903.416  307.152   15.452   10.385   0.0000   0.0000   15.452   10.385  ?   ?   903.416  307.152 0.000000 307.1522 
1 1 1  -18   25   37 o  991.372  297.831   19.506   9.9901   0.0000   0.0000   19.506   9.9901  ?   ?   991.372  297.831 0.000000 297.8312 
1 1 1  -18   26    2 o  704.808  253.733   6.9633   7.1490   6.8744   10.824   7.0321   9.5214  783.904  305.645  758.460  289.018 25.44373 420.6548 
1 1 1  -18   26    4 o  663.362  252.064   5.2745   7.2294 -10.3373   11.268   16.197   9.4249  554.069  259.422  981.997  287.879 -427.9279 387.5231 
1 1 1  -18   26    6 o  568.591  235.185   1.7060   6.8243   4.2212   9.9008  -0.5706   9.4193  711.310  287.399  614.527  266.008 96.78314 391.6099 
1 1 1  -18   26    8 o  565.439  257.715  -5.6671   10.078  -5.6671   10.078   0.0000   0.0000  565.439  257.715  ?   ?  0.000000 257.7151 
1 1 1  -18   26   10 o  562.896  237.476   0.8580   7.1669  -5.2961   10.869   5.5916   9.5327  595.444  269.933  727.821  285.958 -132.3773 393.2375 
1 1 1  -18   26   12 o  1012.38  316.309   17.183   11.128   0.0000   0.0000   17.183   11.128  ?   ?   1012.38  316.309 0.000000 316.3089 
1 1 1  -18   26   18 o  536.181  245.899  -5.7920   9.3643  -5.7920   9.3643   0.0000   0.0000  536.181  245.899  ?   ?  0.000000 245.8994 
1 1 1  -18   26   20 o  815.960  292.202   10.006   9.4692   10.006   9.4692   0.0000   0.0000  815.960  292.202  ?   ?  0.000000 292.2016 
1 1 1  -18   26   22 o  620.482  269.035  -0.1910   9.6672  -0.1910   9.6672   0.0000   0.0000  620.482  269.035  ?   ?  0.000000 269.0354 
1 1 1  -18   26   24 o  762.234  252.876   9.4215   7.0418   10.827   9.7997   7.9207   10.126  833.671  297.393  775.375  297.428 58.29675 420.6020 
1 1 1  -18   26   26 o  1083.67  282.625   20.796   9.6899   20.796   9.6899   0.0000   0.0000  1083.67  282.625  ?   ?  0.000000 282.6255 
1 1 1  -18   26   28 o  867.384  266.601   13.049   7.9423   24.368   11.529   2.8233   10.957  1156.28  311.445  693.466  293.155 462.8151 427.7124 
1 1 1  -18   26   30 o  824.390  319.937   9.7763   11.817   9.7763   11.817   0.0000   0.0000  824.390  319.937  ?   ?  0.000000 319.9371 
1 1 1  -18   26   32 o  769.226  264.060   9.9572   7.6776   7.3071   11.927   11.832   10.033  774.280  314.524  837.480  300.676 -63.19952 435.1224 
1 1 1  -18   26   34 o  601.725  275.649  -4.3229   11.722  -4.3229   11.722   0.0000   0.0000  601.725  275.649  ?   ?  0.000000 275.6492 
1 1 1  -18   27    1 o  481.103  228.562 -11.0429   9.3455   0.0000   0.0000 -11.0429   9.3455  ?   ?   481.103  228.562 0.000000 228.5621 
1 1 1  -18   27    3 o  317.311  159.530 -21.3676   7.1053 -30.6948   11.512 -15.6274   9.0308  419.927  209.980  429.319  209.057 -9.392181 296.3049 
1 1 1  -18   27    5 o  878.887  305.190   11.783   10.270   0.0000   0.0000   11.783   10.270  ?   ?   878.887  305.190 0.000000 305.1898 
1 1 1  -18   27    7 o  1038.29  323.791   18.019   11.667   18.019   11.667   0.0000   0.0000  1038.29  323.791  ?   ?  0.000000 323.7909 
1 1 1  -18   27    9 o  491.534  222.452  -3.7258   7.3460  -7.7299   11.091  -0.5960   9.8054  575.093  265.160  626.223  271.238 -51.13031 379.3152 
1 1 1  -18   27   11 o  663.307  254.553   5.0956   7.4188   10.240   10.989   0.7881   10.056  854.145  313.512  655.170  279.062 198.9754 419.7206 
1 1 1  -18   27   13 o  971.896  309.545   15.646   10.611   0.0000   0.0000   15.646   10.611  ?   ?   971.896  309.545 0.000000 309.5447 
1 1 1  -18   27   15 o  866.885  264.727   12.461   7.8457   8.7666   11.627   15.550   10.631  833.263  318.930  968.135  310.003 -134.8723 444.7674 
1 1 1  -18   27   17 o  704.659  261.862   6.5988   7.7086   16.110   10.905  -2.8997   10.898  981.554  313.943  624.057  277.545 357.4966 419.0365 
1 1 1  -18   27   19 o  558.416  262.222 -10.7683   11.657   0.0000   0.0000 -10.7683   11.657  ?   ?   558.416  262.222 0.000000 262.2219 
1 1 1  -18   27   21 o  746.678  301.818   5.2231   10.924   5.2231   10.924   0.0000   0.0000  746.678  301.818  ?   ?  0.000000 301.8179 
1 1 1  -18   27   25 o  903.331  303.040   13.613   10.108   13.613   10.108   0.0000   0.0000  903.331  303.040  ?   ?  0.000000 303.0397 
1 1 1  -18   27   27 o  1060.77  311.689   20.113   11.037   20.113   11.037   0.0000   0.0000  1060.77  311.689  ?   ?  0.000000 311.6887 
1 1 1  -18   27   29 o  893.279  271.302   13.929   8.2566   15.368   11.268   12.261   12.134  941.555  319.932  883.384  328.485 58.17059 458.5400 
1 1 1  -18   27   31 o  710.932  308.691   1.5248   12.763   1.5248   12.763   0.0000   0.0000  710.932  308.691  ?   ?  0.000000 308.6914 
1 1 1  -18   28    2 o  587.264  263.947  -4.1673   10.137   0.0000   0.0000  -4.1673   10.137  ?   ?   587.264  263.947 0.000000 263.9466 
1 1 1  -18   28    4 o  310.956  157.458 -27.2440   7.7287 -39.9543   13.632 -21.2231   9.3823  440.660  221.471  402.688  199.382 37.97232 297.9975 
1 1 1  -18   28    8 o  627.482  257.138   2.5627   8.0602   14.948   12.455  -6.3611   10.572  977.093  336.280  574.344  262.619 402.7491 426.6765 
1 1 1  -18   28   10 o  473.347  219.731  -6.4331   7.8081 -10.0198   12.272  -3.9938   10.121  589.243  274.178  588.455  264.167 0.7874146 380.7334 
1 1 1  -18   28   12 o  503.265  229.781  -4.8591   8.0565  -2.0453   13.389  -6.4562   10.087  709.833  312.008  556.299  255.157 153.5336 403.0560 
1 1 1  -18   28   14 o  757.304  268.068   8.3882   7.9476   0.2056   11.738   15.314   10.800  694.106  298.707  966.090  312.776 -271.9839 432.4984 
1 1 1  -18   28   16 o  614.593  256.306   1.7815   8.2008   6.4096   12.007  -2.2648   11.227  798.465  318.630  644.114  284.310 154.3509 427.0331 
1 1 1  -18   28   18 o  562.288  246.053  -1.2357   8.2451  -0.0001   11.683  -2.4617   11.637  687.263  296.877  652.399  288.636 34.86426 414.0611 
1 1 1  -18   28   20 o  662.279  267.831   3.7151   8.6069  -1.4785   11.622   10.023   12.808  663.444  291.177  874.457  334.731 -211.0132 443.6542 
1 1 1  -18   28   22 o  930.267  275.981   14.712   8.6181   25.684   11.863   2.4498   12.541  1210.06  311.300  740.875  313.435 469.1906 441.7568 
1 1 1  -18   28   24 f  731.098  275.525   7.1057   8.5928  -9.3352   11.400   28.738   13.076  561.715  262.330  1270.29  326.853 -708.5715 419.1066 
1 1 1  -18   28   26 o  600.240  272.141  -4.6286   11.052  -4.6286   11.052   0.0000   0.0000  600.240  272.141  ?   ?  0.000000 272.1411 
1 1 1  -18   28   28 o  1247.43  323.393   28.232   12.737   28.232   12.737   0.0000   0.0000  1247.43  323.393  ?   ?  0.000000 323.3930 
1 1 1  -18   29    1 o  657.649  283.326  -0.2346   10.584   0.0000   0.0000  -0.2346   10.584  ?   ?   657.649  283.326 0.000000 283.3260 
1 1 1  -18   29    3 o  614.065  261.331   0.5067   8.8053   12.189   15.474  -5.0874   10.708  969.767  368.710  595.262  269.059 374.5051 456.4425 
1 1 1  -18   29    5 o  905.303  358.312   8.6871   15.070   8.6871   15.070   0.0000   0.0000  905.303  358.312  ?   ?  0.000000 358.3125 
1 1 1  -18   29    7 o  562.330  258.385  -7.0021   10.407   0.0000   0.0000  -7.0021   10.407  ?   ?   562.330  258.385 0.000000 258.3853 
1 1 1  -18   29    9 f  397.974  194.333 -14.5084   7.9588 -28.5938   12.784  -5.5954   10.170  469.956  232.697  570.788  259.660 -100.8324 348.6710 
1 1 1  -18   29   11 o  645.148  262.439   3.0364   8.3187   3.2494   12.950   2.8867   10.855  773.437  322.273  714.245  296.117 59.19287 437.6583 
1 1 1  -18   29   13 o  458.765  216.504  -8.7593   8.1252 -13.4585   12.713  -5.5146   10.564  571.223  269.953  584.043  265.289 -12.82007 378.4875 
1 1 1  -18   29   15 o  627.405  261.366   1.8697   8.5146  -6.1071   12.298   9.2146   11.801  630.594  286.354  848.599  322.140 -218.0058 431.0138 
1 1 1  -18   29   17 o  459.241  213.038  -5.9478   7.3214  -3.5180   12.564  -7.1973   9.0093  667.605  297.386  508.993  236.190 158.6115 379.7681 
1 1 1  -18   29   19 o  487.278  225.075  -5.9570   8.0443   7.3306   11.221 -20.0065   11.538  797.690  311.153  481.537  234.883 316.1532 389.8542 
1 1 1  -18   29   21 f  649.261  290.637  -3.8261   12.159  -3.8261   12.159   0.0000   0.0000  649.261  290.637  ?   ?  0.000000 290.6374 
1 1 1  -18   29   23 o  601.659  255.103   1.0121   8.3370   11.189   10.558 -15.8418   13.587  860.203  308.493  572.054  272.846 288.1481 411.8412 
1 1 1  -18   30    2 f  694.255  294.821   0.9912   11.163   0.0000   0.0000   0.9912   11.163  ?   ?   694.255  294.821 0.000000 294.8209 
1 1 1  -18   30    6 f  549.603  246.734  -3.7136   8.8297   9.6291   15.306 -10.3684   10.810  926.464  362.846  540.608  253.430 385.8557 442.5878 
1 1 1  -18   30    8 o  729.275  281.347   5.9930   9.0966   6.6477   13.777   5.4869   12.112  847.981  340.283  791.788  318.593 56.19281 466.1476 
1 1 1  -18   30   10 o  935.283  284.316   14.417   9.0648   19.728   14.637   11.112   11.545  1100.49  364.550  886.508  321.957 213.9781 486.3676 
1 1 1  -18   30   12 o  600.357  256.174   0.3045   8.5019   8.4999   12.835  -6.1028   11.349  858.597  333.370  603.435  274.430 255.1615 431.7953 
1 1 1  -18   30   14 o  970.008  287.491   15.706   9.3553   13.600   15.045   17.034   11.945  985.372  365.901  1019.11  328.849 -33.73450 491.9607 
1 1 1  -17    0    1 o  5023.11  181.482  401.681   28.460  401.681   28.460  401.681   28.460  5023.11  181.482  5023.11  181.482 -0.000000 0.000000 
1 1 1  -17    0    3 o  2003.52  108.196   63.671   6.7424   63.671   6.7424   63.671   6.7424  2003.52  108.196  2003.52  108.196 -0.000000 0.000000 
1 1 1  -17    0    5 o  425.367  146.623   3.7049   1.7582   3.7049   1.7582   3.7049   1.7582  425.367  146.623  425.367  146.623 -0.000000 0.000000 
1 1 1  -17    0    7 o  1956.41  108.317   60.734   6.5890   60.734   6.5890   60.734   6.5890  1956.41  108.317  1956.41  108.317 -0.000000 0.000000 
1 1 1  -17    0    9 o  2353.97  111.900   87.750   8.2055   87.750   8.2055   87.750   8.2055  2353.97  111.900  2353.97  111.900 -0.000000 0.000000 
1 1 1  -17    0   11 o  434.887  151.644   3.8934   1.8673   3.8934   1.8673   3.8934   1.8673  434.887  151.644  434.887  151.644 -0.000000 0.000000 
1 1 1  -17    0   13 o  218.531  133.481   0.6475   1.7329   0.6475   1.7329   0.6475   1.7329  218.531  133.481  218.531  133.481 -0.000000 0.000000 
1 1 1  -17    0   15 o  1945.88  107.961   60.132   6.5318   60.132   6.5318   60.132   6.5318  1945.88  107.961  1945.88  107.961 -0.000000 0.000000 
1 1 1  -17    0   17 o  1460.95  102.337   34.078   4.6288   34.078   4.6288   34.078   4.6288  1460.95  102.337  1460.95  102.337 -0.000000 0.000000 
1 1 1  -17    0   19 o  1225.23  100.978   24.112   3.8135   24.112   3.8135   24.112   3.8135  1225.23  100.978  1225.23  100.978 -0.000000 0.000000 
1 1 1  -17    0   21 o  3870.26  150.904  239.079   18.225  239.079   18.225  239.079   18.225  3870.26  150.904  3870.26  150.904 -0.000000 0.000000 
1 1 1  -17    0   23 o  1956.51  108.787   61.005   6.6175   61.005   6.6175   61.005   6.6175  1956.51  108.787  1956.51  108.787 -0.000000 0.000000 
1 1 1  -17    0   25 o  729.879  119.324   9.0616   2.5081   9.0616   2.5081   9.0616   2.5081  729.879  119.324  729.879  119.324 -0.000000 0.000000 
1 1 1  -17    0   27 o  314.510  190.178   1.6077   3.4418   1.6077   3.4418   1.6077   3.4418  314.510  190.178  314.510  190.178 -0.000000 0.000000 
1 1 1  -17    0   29 o  695.659  134.375   8.4669   2.6124   8.4669   2.6124   8.4669   2.6124  695.659  134.375  695.659  134.375 -0.000000 0.000000 
1 1 1  -17    0   31 o  1035.12  109.335   17.512   3.4533   17.512   3.4533   17.512   3.4533  1035.12  109.335  1035.12  109.335 -0.000000 0.000000 
1 1 1  -17    0   33 o  2038.50  161.019   68.018   10.130   68.018   10.130   68.018   10.130  2038.50  161.019  2038.50  161.019 -0.000000 0.000000 
1 1 1  -17    0   35 o  1060.94  161.996   19.257   5.0092   19.257   5.0092   19.257   5.0092  1060.94  161.996  1060.94  161.996 -0.000000 0.000000 
1 1 1  -17    0   37 o  2355.78  169.576   90.746   12.360   90.746   12.360   90.746   12.360  2355.78  169.576  2355.78  169.576 -0.000000 0.000000 
1 1 1  -17    0   39 o  802.355  203.891   12.121   4.4290   12.121   4.4290   12.121   4.4290  802.355  203.891  802.355  203.891 -0.000000 0.000000 
1 1 1  -17    0   41 o  635.566  164.041   7.5683   2.8215   7.5683   2.8215   7.5683   2.8215  635.566  164.041  635.566  164.041 -0.000000 0.000000 
1 1 1  -17    0   43 o  4150.65  160.708  277.031   20.816  277.031   20.816  277.031   20.816  4150.65  160.708  4150.65  160.708 -0.000000 0.000000 
1 1 1  -17    0   45 o  499.823  187.777   5.3826   2.7465   5.3826   2.7465   5.3826   2.7465  499.823  187.777  499.823  187.777 -0.000000 0.000000 
1 1 1  -17    0   47 o  639.932  175.219   7.8251   3.0356   7.8251   3.0356   7.8251   3.0356  639.932  175.219  639.932  175.219 -0.000000 0.000000 
1 1 1  -17    0   49 o  323.455  181.656   2.2954   2.7822   2.2954   2.7822   2.2954   2.7822  323.455  181.656  323.455  181.656 -0.000000 0.000000 
1 1 1  -17    0   51 o  1336.20  176.880   30.254   7.0391   30.254   7.0391   30.254   7.0391  1336.20  176.880  1336.20  176.880 -0.000000 0.000000 
1 1 1  -17    0   53 o  264.760  176.537  -0.9709   3.9789  -0.9709   3.9789  -0.9709   3.9789  264.760  176.537  264.760  176.537 -0.000000 0.000000 
1 1 1  -17    0   55 o  1839.25  175.728   57.150   9.9082   57.150   9.9082   57.150   9.9082  1839.25  175.728  1839.25  175.728 -0.000000 0.000000 
1 1 1  -17    0   57 o  3828.05  156.560  241.802   18.695  241.802   18.695  241.802   18.695  3828.05  156.560  3828.05  156.560 -0.000000 0.000000 
1 1 1  -17    0   59 o  1875.91  119.383   57.486   6.9474   57.486   6.9474   57.486   6.9474  1875.91  119.383  1875.91  119.383 -0.000000 0.000000 
1 1 1  -17    0   61 o  1241.68  126.067   25.772   4.7857   25.772   4.7857   25.772   4.7857  1241.68  126.067  1241.68  126.067 -0.000000 0.000000 
1 1 1  -17    0   63 o  2521.74  125.515  104.499   9.8549  104.499   9.8549  104.499   9.8549  2521.74  125.515  2521.74  125.515 -0.000000 0.000000 
1 1 1  -17    1    2 o  2558.61   83.069  103.042   6.6552  100.293   9.4115  105.792   9.4122  2517.10  119.411  2585.94  116.240 -68.83105 166.6451 
1 1 1  -17    1    4 f  466.569   83.756   3.5294   1.1787   3.4962   1.6631   3.5630   1.6706  461.281  115.425  465.603  115.217 -4.322144 163.0890 
1 1 1  -17    1    6 o  2300.95   79.864   83.292   5.7540   82.829   8.1398   83.754   8.1351  2288.91  113.571  2301.79  112.870 -12.88306 160.1188 
1 1 1  -17    1    8 o  1687.69   71.580   44.771   3.7827   48.693   5.3803   40.938   5.3193  1754.27   98.344  1606.56  106.342 147.7126 144.8448 
1 1 1  -17    1   10 o  550.990   81.431   4.8803   1.3626   5.7030   1.9771   4.1360   1.8805  591.233  110.870  501.120  121.173 90.11282 164.2411 
1 1 1  -17    1   12 o  1640.40   72.566   42.323   3.7273   39.910   5.2866   44.708   5.2560  1585.19  107.137  1679.57  100.400 -94.38391 146.8278 
1 1 1  -17    1   14 o  426.514   91.536   2.9796   1.1859   5.4520   1.7363   0.8181   1.6235  579.452   99.269  299.513  117.905 279.9388 154.1297 
1 1 1  -17    1   16 o  2896.85   88.658  132.523   8.0419  135.615   11.386  129.445   11.360  2918.25  124.600  2850.03  127.300 68.21362 178.1302 
1 1 1  -17    1   18 o  1584.42   71.545   39.566   3.5495   37.065   5.0065   42.095   5.0331  1524.07  105.558  1626.34   99.310 -102.2722 144.9308 
1 1 1  -17    1   20 o  1943.09   75.353   59.644   4.5847   56.214   6.4523   63.142   6.5156  1873.73  110.462  1988.29  105.027 -114.5559 152.4224 
1 1 1  -17    1   22 o  851.717   72.076   11.549   1.9042   10.866   2.6598   12.267   2.7274  817.918  106.370  871.039  101.924 -53.12054 147.3198 
1 1 1  -17    1   24 o  2074.81   77.560   68.304   5.0389   65.604   7.0953   71.051   7.1572  2015.62  112.875  2099.86  109.229 -84.23462 157.0719 
1 1 1  -17    1   26 o  1078.71   83.785   18.644   2.8078   18.524   3.3535   18.923   5.1353  1069.65  101.331  1056.33  160.291 13.32471 189.6341 
1 1 1  -17    1   28 f  2345.14   80.977   87.696   5.9463   87.573   8.4170   87.819   8.4017  2321.59  115.786  2325.14  115.399 -3.551270 163.4728 
1 1 1  -17    1   30 o  2023.32   89.901   65.793   5.6957   66.680   7.0246   64.090   9.7312  2020.27  111.476  1936.63  161.961 83.64001 196.6166 
1 1 1  -17    1   32 o  1825.15   88.665   53.781   5.0672   53.660   6.2511   54.014   8.6531  1804.66  111.164  1766.86  158.077 37.79883 193.2503 
1 1 1  -17    1   34 o  1593.01  106.961   42.040   5.3044   45.102   7.5462   39.050   7.4576  1606.97  151.767  1482.74  163.336 124.2333 222.9614 
1 1 1  -17    1   36 o  700.080  115.619   8.3667   2.4460   11.891   3.5477   5.1728   3.3770  821.031  143.205  532.837  175.040 288.1936 226.1558 
1 1 1  -17    1   38 o  1398.12   87.701   31.905   3.8200   26.130   6.4052   35.093   4.7589  1194.13  176.631  1453.74  105.259 -259.6023 205.6155 
1 1 1  -17    1   40 o  592.993  121.775   6.1033   2.1854   4.8132   3.7075   6.7903   2.7054  519.782  183.188  616.242  142.971 -96.46008 232.3760 
1 1 1  -17    1   42 o  2122.80   82.020   73.267   5.4519   71.024   7.6973   75.524   7.7231  2043.56  120.828  2112.36  117.223 -68.80579 168.3470 
1 1 1  -17    1   44 o  1850.27   80.107   55.892   4.6411   56.874   6.5544   54.904   6.5726  1824.09  115.349  1788.62  118.019 35.47058 165.0270 
1 1 1  -17    1   46 o  3895.29  114.304  261.371   13.942  258.899   19.704  263.850   19.729  3673.99  171.277  3715.73  169.572 -41.73486 241.0197 
1 1 1  -17    1   48 o  824.140  142.944   12.712   3.5551   7.8658   5.0524   17.464   5.0032  583.696  212.830  928.563  178.560 -344.8679 277.8133 
1 1 1  -17    1   50 o  2179.78  101.895   82.964   6.9547   91.561   12.046   78.665   8.5179  2041.78  190.613  2045.74  133.710 -3.963135 232.8337 
1 1 1  -17    1   52 o  3311.62  137.737  224.251   14.283  229.563   24.748  221.598   17.489  2107.76  389.319  3014.35  186.204 -906.5920 431.5560 
1 1 1  -17    1   54 o  1485.13  138.809   50.426   6.3802   55.142   8.9402   45.532   9.1080  1230.37  240.680  936.362  285.071 294.0033 373.0851 
1 1 1  -17    1   56 o  1131.58  117.546   29.191   4.1042   28.750   4.9516   30.161   7.3361  989.792  165.617  595.518  244.826 394.2737 295.5817 
1 1 1  -17    1   58 o  1911.95  138.848  105.444   8.2558  106.128   10.114  104.078   14.293  1461.17  228.536  468.582  234.260 992.5856 327.2705 
1 1 1  -17    1   60 o  2063.87  125.390  126.383   8.0649  126.367   11.389  126.400   11.422  838.572  316.918  826.264  316.149 12.30750 447.6462 
1 1 1  -17    1   62 o  ?   ?   957.851   51.459  958.555   63.035  956.442   89.100  ?   ?   ?   ?  0.000000      ? 
1 1 1  -17    2    1 o  3130.54   92.212  154.482   9.0390  160.492   12.794  148.492   12.773  3180.73  128.456  3057.94  133.393 122.7903 185.1877 
1 1 1  -17    2    3 o  2530.57   81.417  100.774   6.4513  109.594   9.1484   92.050   9.0989  2633.22  110.953  2411.22  120.514 221.9993 163.8114 
1 1 1  -17    2    5 o  1458.56   70.014   33.432   3.1976   36.819   4.5685   30.179   4.4771  1525.16   96.154  1378.77  104.478 146.3929 141.9902 
1 1 1  -17    2    7 o  707.451   71.811   7.9472   1.5687   7.7797   2.2586   8.1033   2.1805  693.890  107.422  709.693  100.968 -15.80267 147.4248 
1 1 1  -17    2    9 f  1324.57   70.457   27.655   2.9117   27.776   4.1368   27.537   4.0991  1322.84  100.624  1317.21  100.134 5.636841 141.9582 
1 1 1  -17    2   11 o  771.280   72.190   9.4356   1.7231   9.0633   2.4459   9.8024   2.4280  749.839  107.224  781.459  101.633 -31.62018 147.7371 
1 1 1  -17    2   13 o  1971.49   75.675   61.173   4.6716   59.742   6.6160   62.597   6.5973  1939.78  109.371  1986.45  106.453 -46.66943 152.6246 
1 1 1  -17    2   15 o  2230.53   79.169   78.404   5.5294   80.272   7.8357   76.551   7.8040  2249.82  111.228  2193.52  114.014 56.29907 159.2817 
1 1 1  -17    2   17 o  1248.03   70.405   24.611   2.7401   23.310   3.8655   25.924   3.8848  1208.11  103.172  1275.67   98.006 -67.55725 142.3017 
1 1 1  -17    2   19 o  1416.40   71.741   31.726   3.1714   32.130   4.4917   31.325   4.4784  1418.30  101.819  1400.04  102.876 18.25769 144.7431 
1 1 1  -17    2   21 o  2030.45   76.000   65.203   4.8320   60.418   6.8162   70.036   6.8509  1939.82  112.703  2095.02  104.434 -155.1978 153.6507 
1 1 1  -17    2   23 o  1559.10   73.053   38.481   3.5664   35.007   4.9906   42.108   5.0984  1473.43  108.942  1619.86  101.020 -146.4304 148.5713 
1 1 1  -17    2   25 o  2642.26   99.707  111.887   8.2493  110.792   10.083  114.104   14.346  2613.45  123.214  2599.55  177.304 13.89429 215.9127 
1 1 1  -17    2   27 o  1898.86   75.398   57.299   4.4830   54.806   6.2990   59.859   6.3817  1838.89  109.898  1924.13  106.334 -85.23132 152.9198 
1 1 1  -17    2   29 o  1121.21   83.908   20.205   2.9245   20.149   3.5508   20.324   5.1563  1112.40  103.114  1091.83  155.191 20.56140 186.3242 
1 1 1  -17    2   31 o  1671.76   87.512   45.073   4.5651   46.349   5.6253   42.612   7.8126  1683.07  107.299  1572.19  160.969 110.8860 193.4528 
1 1 1  -17    2   33 o  963.664   91.852   15.197   2.7381   14.431   3.3906   16.632   4.6423  925.184  119.855  970.246  158.262 -45.06256 198.5247 
1 1 1  -17    2   35 o  2214.03   93.482   80.063   6.4808   84.472   7.9865   71.561   11.089  2249.60  113.749  1979.31  180.930 270.2917 213.7159 
1 1 1  -17    2   37 o  2285.61   95.944   85.583   6.8665   71.027   11.807   93.022   8.4408  1944.56  196.611  2361.20  114.164 -416.6455 227.3530 
1 1 1  -17    2   39 o  3582.44  123.891  216.308   13.897  207.356   24.081  220.778   17.017  3199.46  242.166  3553.72  152.929 -354.2568 286.4121 
1 1 1  -17    2   41 o  3177.08  114.557  169.108   11.396  161.329   19.715  173.013   13.966  2852.67  222.469  3160.40  141.131 -307.7385 263.4582 
1 1 1  -17    2   43 o  1469.59   91.222   35.654   4.1770   32.716   7.1890   37.151   5.1321  1316.81  178.992  1481.73  111.430 -164.9276 210.8425 
1 1 1  -17    2   45 o  1897.45   81.387   59.023   4.8355   57.094   6.7980   60.999   6.8796  1815.76  120.246  1881.22  117.376 -65.46411 168.0366 
1 1 1  -17    2   47 o  3287.32  121.503  189.445   12.507  192.880   21.680  187.732   15.311  2893.71  241.472  3170.43  154.234 -276.7263 286.5256 
1 1 1  -17    2   49 f  4748.18  176.823  459.921   26.290  448.906   45.522  465.434   32.203  2815.22  535.986  4407.26  234.189 -1592.037 584.9149 
1 1 1  -17    2   51 o  1595.20   97.590   44.958   4.8511   44.560   8.3214   45.163   5.9707  1368.44  200.117  1545.45  124.436 -177.0164 235.6503 
1 1 1  -17    2   53 o  3113.31  111.111  189.052   10.832  191.745   15.328  186.365   15.309  2728.32  180.438  2666.55  184.482 61.77466 258.0534 
1 1 1  -17    2   55 o  2347.54   98.489  110.160   7.2397  109.322   10.242  110.996   10.235  1975.33  167.160  2003.56  164.591 -28.23193 234.5907 
1 1 1  -17    2   57 o  579.588  161.899   11.093   3.0513   9.9626   3.6827   13.567   5.4498  448.377  177.234  400.368  185.046 48.00919 256.2303 
1 1 1  -17    2   59 o  1274.22  247.511   98.834   9.5195   98.834   9.5195   0.0000   0.0000  1274.22  247.511  ?   ?  0.000000 247.5106 
1 1 1  -17    2   61 o  313.782  148.872   11.229   3.9392   11.229   3.9392   0.0000   0.0000  313.782  148.872  ?   ?  0.000000 148.8717 
1 1 1  -17    2   63 o  ?   ?   122.322   11.177  122.322   11.177   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -17    3    2 o  2056.63   76.075   66.530   4.8991   67.085   6.9331   65.977   6.9235  2057.59  107.987  2040.31  108.764 17.28040 153.2671 
1 1 1  -17    3    4 o  1206.19   69.868   22.941   2.6275   21.828   3.7238   24.045   3.7081  1171.56  102.541  1231.01   96.984 -59.44568 141.1404 
1 1 1  -17    3    6 o  420.092   86.864   2.8812   1.1049   2.6963   1.5268   3.0844   1.6010  407.421  114.774  434.032  115.695 -26.61081 162.9677 
1 1 1  -17    3    8 o  1817.12   72.023   51.911   4.0980   55.034   5.8177   48.836   5.7735  1864.76   99.999  1755.21  105.539 109.5558 145.3904 
1 1 1  -17    3   10 o  2533.59   82.286  101.074   6.5280   98.874   9.2287  103.276   9.2351  2498.38  117.969  2554.02  115.478 -55.64136 165.0813 
1 1 1  -17    3   12 o  3228.51   93.606  164.489   9.4628  169.572   13.391  159.419   13.374  3265.68  130.953  3164.89  134.956 100.7891 188.0470 
1 1 1  -17    3   14 o  1121.01   70.277   19.850   2.4544   20.322   3.4843   19.385   3.4578  1129.40   99.544  1102.49  101.298 26.91003 142.0222 
1 1 1  -17    3   16 o  2013.82   76.333   63.928   4.8134   60.585   6.8086   67.268   6.8057  1949.77  111.992  2056.66  106.041 -106.8915 154.2298 
1 1 1  -17    3   18 o  1260.59   71.231   25.132   2.8001   26.545   3.9669   23.729   3.9532  1289.77   98.979  1217.60  104.705 72.16711 144.0836 
1 1 1  -17    3   20 o  2216.60   91.818   77.995   6.3728   80.999   11.042   76.495   7.8037  2223.19  159.683  2184.08  114.506 39.11499 196.4953 
1 1 1  -17    3   22 o  786.300   76.597   9.8801   1.8619   10.467   2.5715   9.2330   2.6995  802.748  104.805  749.172  119.060 53.57629 158.6170 
1 1 1  -17    3   24 o  2020.78   89.095   65.072   5.6376   61.399   6.8741   72.616   9.8525  1949.55  113.093  2095.99  151.135 -146.4357 188.7634 
1 1 1  -17    3   26 o  1702.71   85.809   46.332   4.5603   45.406   5.5777   48.199   7.9202  1676.28  106.821  1702.07  150.146 -25.78552 184.2679 
1 1 1  -17    3   28 o  1135.05   83.265   20.667   2.9387   20.839   3.5896   20.317   5.1174  1132.96  102.288  1095.04  153.460 37.92273 184.4251 
1 1 1  -17    3   30 o  1691.55   87.619   46.043   4.6250   48.719   5.7240   41.012   7.8496  1729.28  106.225  1544.45  164.862 184.8258 196.1208 
1 1 1  -17    3   32 o  2408.19   96.477   94.185   7.2749   93.047   8.9285   96.433   12.548  2366.95  120.871  2342.14  172.314 24.80762 210.4808 
1 1 1  -17    3   34 o  1817.91   76.486   53.153   4.3538   49.830   6.1489   56.494   6.1656  1729.10  114.213  1848.27  106.994 -119.1671 156.5003 
1 1 1  -17    3   36 o  3298.20  115.217  181.436   11.899  186.808   14.603  170.821   20.527  3295.70  141.505  2957.37  223.313 338.3279 264.3717 
1 1 1  -17    3   38 o  910.392  102.327   13.773   2.8665   9.5879   5.3398   15.467   3.3975  693.549  219.454  958.012  115.594 -264.4621 248.0364 
1 1 1  -17    3   40 o  1741.68   91.947   49.624   4.9967   43.752   8.7227   52.493   6.0959  1539.87  184.584  1774.98  110.225 -235.1133 214.9903 
1 1 1  -17    3   42 o  1830.52   93.610   55.168   5.3476   55.025   9.2238   55.241   6.5631  1731.01  172.471  1807.62  116.575 -76.61365 208.1735 
1 1 1  -17    3   44 o  1961.74  117.901   65.910   7.2087   0.0000   0.0000   65.910   7.2087  ?   ?   1961.74  117.901 0.000000 117.9010 
1 1 1  -17    3   46 o  2657.70  106.302  119.967   8.8463  115.503   15.245  122.234   10.862  2356.71  208.752  2624.18  132.621 -267.4670 247.3167 
1 1 1  -17    3   48 o  3676.57  133.024  244.038   15.314  249.440   26.511  241.333   18.761  3106.80  275.376  3508.24  170.781 -401.4426 324.0343 
1 1 1  -17    3   50 o  3761.07  116.864  255.226   13.763  257.742   19.473  252.716   19.454  3480.46  179.293  3435.17  181.505 45.29663 255.1276 
1 1 1  -17    3   52 o  2578.89   96.316  120.039   7.7777  123.124   10.990  116.944   11.008  2411.04  146.265  2325.93  151.986 85.11475 210.9342 
1 1 1  -17    3   54 o  447.018  160.599   5.7799   2.8626   7.6237   3.3684   0.9855   5.4317  491.400  174.456  327.447  160.033 163.9531 236.7388 
1 1 1  -17    3   56 f  656.636  156.741   12.359   3.1781   11.932   3.7420   13.462   6.0200  554.327  184.360  411.799  191.751 142.5279 266.0021 
1 1 1  -17    3   58 f  903.375  191.697   32.535   5.2546   32.535   5.2546   0.0000   0.0000  903.375  191.697  ?   ?  0.000000 191.6970 
1 1 1  -17    3   60 o  488.392  246.249  223.383   17.610  223.383   17.610   0.0000   0.0000  488.392  246.249  ?   ?  0.000000 246.2486 
1 1 1  -17    3   62 o  562.437  243.414   72.627   7.8841   72.627   7.8841   0.0000   0.0000  562.437  243.414  ?   ?  0.000000 243.4137 
1 1 1  -17    4    1 o  3313.27   94.301  173.189   9.7834  180.869   13.853  165.545   13.819  3373.99  131.122  3225.81  136.812 148.1829 189.5005 
1 1 1  -17    4    3 o  1725.01   72.314   46.789   3.9060   45.232   5.5253   48.344   5.5226  1688.89  105.000  1746.96  101.395 -58.06567 145.9656 
1 1 1  -17    4    5 o  1978.30   74.816   61.552   4.6345   58.049   6.5410   65.083   6.5675  1913.19  109.643  2027.44  103.799 -114.2515 150.9828 
1 1 1  -17    4    7 f  2438.40   81.324   93.594   6.2093   94.773   8.7783   92.413   8.7842  2447.22  114.556  2416.21  116.105 31.01440 163.1053 
1 1 1  -17    4    9 o  1391.15   70.201   30.503   3.0481   28.169   4.2881   32.887   4.3336  1331.36  103.680  1440.45   96.640 -109.0902 141.7349 
1 1 1  -17    4   11 o  1316.66   70.294   27.340   2.8876   28.346   4.1010   26.351   4.0666  1336.08   98.724  1287.40  101.707 48.68433 141.7418 
1 1 1  -17    4   13 o  462.010   85.881   3.4730   1.1967   4.8858   1.7542   2.2433   1.6366  546.423  106.354  379.872  121.632 166.5509 161.5721 
1 1 1  -17    4   15 o  2638.47   85.072  109.896   7.0284  109.573   9.9476  110.219   9.9317  2623.53  121.092  2631.45  120.535 -7.921143 170.8564 
1 1 1  -17    4   17 o  3428.57   97.609  186.379   10.479  187.947   14.826  184.814   14.813  3421.34  138.391  3392.05  139.467 29.29468 196.4765 
1 1 1  -17    4   19 o  1273.61   72.200   25.684   2.8675   27.403   4.0469   23.950   4.0636  1309.26   99.458  1221.36  107.345 87.89636 146.3384 
1 1 1  -17    4   21 o  5372.54  135.136  467.135   22.734  435.996   32.133  498.342   32.168  5089.65  201.623  5466.49  187.928 -376.8369 275.6247 
1 1 1  -17    4   23 o  555.910  102.936   5.0944   1.7258   5.0929   2.0294   5.0983   3.2801  551.770  120.810  552.143  171.599 -0.3728027 209.8605 
1 1 1  -17    4   25 o  2188.75   91.546   76.473   6.2741   76.589   7.6937   76.244   10.841  2176.66  113.274  2136.06  163.315 40.59961 198.7527 
1 1 1  -17    4   27 o  1816.69   87.632   52.713   4.9849   51.655   6.1319   54.774   8.5602  1785.07  110.243  1810.83  152.387 -25.75610 188.0832 
1 1 1  -17    4   29 o  960.573  105.212   15.090   3.1128   16.763   4.3704   13.367   4.4346  995.344  144.445  875.721  167.833 119.6227 221.4321 
1 1 1  -17    4   31 o  808.314   95.180   10.697   2.3629   12.204   4.0321   9.9092   2.9160  833.816  160.258  765.306  126.077 68.51007 203.9067 
1 1 1  -17    4   33 o  2133.53   80.009   73.248   5.3451   68.322   7.5639   78.162   7.5542  2023.84  119.893  2174.19  111.336 -150.3466 163.6157 
1 1 1  -17    4   35 o  480.728  111.787   3.9692   1.6509   0.7082   2.3630   7.0784   2.3074  329.378  137.491  642.875  119.007 -313.4977 181.8416 
1 1 1  -17    4   37 o  1243.74   87.700   25.198   3.3935   29.584   4.3071   18.019   5.5106  1338.07  103.608  987.023  185.102 351.0436 212.1253 
1 1 1  -17    4   39 o  1017.94   95.407   17.049   3.0055   19.176   5.3135   16.048   3.6446  1029.60  170.803  972.572  122.388 57.02399 210.1243 
1 1 1  -17    4   41 o  2261.75  117.500   85.990   8.2928   0.0000   0.0000   85.990   8.2928  ?   ?   2261.75  117.500 0.000000 117.4999 
1 1 1  -17    4   43 o  1182.59  116.552   23.847   4.2598   0.0000   0.0000   23.847   4.2598  ?   ?   1182.59  116.552 0.000000 116.5524 
1 1 1  -17    4   45 o  1208.22  119.006   25.255   4.4438   0.0000   0.0000   25.255   4.4438  ?   ?   1208.22  119.006 0.000000 119.0062 
1 1 1  -17    4   47 o  755.519   97.324   9.7192   2.2489   6.3835   3.2408   12.817   3.1232  566.344  169.518  852.124  120.407 -285.7801 207.9288 
1 1 1  -17    4   49 o  2055.55   82.598   70.511   5.3164   65.480   7.5111   75.563   7.5259  1900.10  126.974  2062.68  117.005 -162.5782 172.6627 
1 1 1  -17    4   51 o  1021.12   98.560   18.583   3.1122   23.009   3.9578   11.413   5.0376  1112.99  115.234  635.885  213.933 477.1035 242.9942 
1 1 1  -17    4   53 o  3554.90  164.106  306.236   18.267  323.188   22.422  272.773   31.502  3187.77  226.093  835.924  403.010 2351.851 462.0986 
1 1 1  -17    4   55 o  2274.65  123.206  116.094   8.7426  111.374   10.657  125.813   15.290  1942.94  177.108  1134.20  372.445 808.7399 412.4105 
1 1 1  -17    4   57 o  1552.73  118.495   57.771   5.7177   60.051   6.9403   52.955   10.088  1394.86  161.913  542.178  250.999 852.6808 298.6913 
1 1 1  -17    4   59 o  618.688  167.464   14.905   3.3235   14.316   3.9613   16.307   6.1078  469.009  184.316  334.739  164.823 134.2705 247.2631 
1 1 1  -17    4   61 o  672.435  234.462   44.020   6.0643   44.020   6.0643   0.0000   0.0000  672.435  234.462  ?   ?  0.000000 234.4624 
1 1 1  -17    5    2 o  650.630   73.912   6.7447   1.4791   6.5915   2.1088   6.8930   2.0751  636.664  109.745  652.300  105.170 -15.63574 152.0026 
1 1 1  -17    5    4 o  1550.83   70.951   37.819   3.4454   41.611   4.9097   34.140   4.8363  1620.80   97.189  1465.82  106.086 154.9778 143.8745 
1 1 1  -17    5    6 o  370.281   95.516   2.2448   1.1147   3.4993   1.5510   0.9042   1.6033  461.274  109.092  302.665  117.739 158.6092 160.5103 
1 1 1  -17    5    8 o  1543.93   70.748   37.486   3.4203   39.479   4.8354   35.490   4.8387  1578.21   98.335  1494.94  104.016 83.27930 143.1402 
1 1 1  -17    5   10 o  1042.73   69.340   17.174   2.2511   15.591   3.1571   18.811   3.2106  987.704  103.626  1087.45   95.248 -99.74274 140.7500 
1 1 1  -17    5   12 o  1960.43   75.727   60.525   4.6486   61.393   6.5764   59.658   6.5717  1965.86  107.242  1937.39  108.768 28.47229 152.7460 
1 1 1  -17    5   14 o  635.021   79.116   6.4547   1.5390   7.4480   2.2153   5.5280   2.1397  677.143  108.115  578.810  121.912 98.33276 162.9460 
1 1 1  -17    5   16 o  1103.36   70.724   19.262   2.4306   19.812   3.4580   18.725   3.4170  1113.26  100.277  1081.65  102.096 31.61621 143.1054 
1 1 1  -17    5   18 o  733.133   79.092   8.5904   1.7869   11.155   2.5049   5.9334   2.5498  832.581   97.958  595.464  139.238 237.1165 170.2443 
1 1 1  -17    5   20 o  1232.84   71.240   24.086   2.7384   24.313   3.8434   23.852   3.9025  1231.39  100.557  1218.80  103.229 12.59033 144.1106 
1 1 1  -17    5   22 o  1467.76   83.538   34.305   3.8235   36.069   4.7211   30.943   6.5177  1499.36  101.151  1365.87  155.146 133.4916 185.2077 
1 1 1  -17    5   24 o  2016.62   89.043   64.783   5.6226   66.916   6.9089   60.599   9.6755  2038.37  108.638  1906.13  163.697 132.2416 196.4658 
1 1 1  -17    5   26 o  1642.65   85.764   43.119   4.3960   44.200   5.4100   41.016   7.5423  1654.95  104.941  1566.19  155.865 88.75403 187.9006 
1 1 1  -17    5   28 o  2895.15   89.637  134.200   8.1260  128.972   11.468  139.473   11.516  2803.51  130.637  2920.14  125.946 -116.6313 181.4613 
1 1 1  -17    5   30 o  1067.17  112.037   18.754   3.6879   0.0000   0.0000   18.754   3.6879  ?   ?   1067.17  112.037 0.000000 112.0371 
1 1 1  -17    5   32 o  1840.18   78.025   54.313   4.4959   50.753   6.4102   57.759   6.3073  1749.14  117.724  1874.72  107.901 -125.5828 159.6920 
1 1 1  -17    5   34 o  2660.47   88.615  114.677   7.3822  121.938   10.495  107.566   10.386  2700.01  124.137  2522.90  131.926 177.1099 181.1476 
1 1 1  -17    5   36 f  3862.28  108.759  245.928   13.153  254.216   18.639  237.707   18.564  3827.44  155.524  3688.86  160.714 138.5815 223.6443 
1 1 1  -17    5   38 o  2208.35   95.394   79.444   6.5964   82.706   11.469   77.831   8.0637  2157.89  171.139  2159.13  119.741 -1.243652 208.8696 
1 1 1  -17    5   40 o  2449.87  120.229  100.450   9.2229   0.0000   0.0000  100.450   9.2229  ?   ?   2449.87  120.229 0.000000 120.2289 
1 1 1  -17    5   42 o  3341.00  147.002  195.421   15.379   0.0000   0.0000  195.421   15.379  ?   ?   3341.00  147.002 0.000000 147.0024 
1 1 1  -17    5   44 o  386.783  133.309   2.4994   1.9577   3.1166   3.8663   2.2866   2.2703  454.584  180.994  383.804  142.212 70.77991 230.1801 
1 1 1  -17    5   46 o  1751.04   94.960   51.234   5.1871   51.149   9.0325   51.276   6.3360  1623.62  180.735  1722.43  118.193 -98.81177 215.9507 
1 1 1  -17    5   48 o  2239.56  123.155   88.809   8.6032  101.862   12.360   76.543   11.982  2269.57  175.286  1897.98  204.864 371.5911 269.6190 
1 1 1  -17    5   50 o  1373.03   95.911   32.712   4.0976   30.861   5.0818   36.153   6.9278  1286.42  127.852  1312.23  172.807 -25.80811 214.9616 
1 1 1  -17    5   52 o  1631.65   98.276   48.626   4.9976   51.388   6.2089   43.543   8.4219  1611.58  123.991  1224.88  227.974 386.6984 259.5107 
1 1 1  -17    5   54 o  2943.46  141.978  202.527   13.086  205.833   16.070  196.019   22.545  2581.58  200.364  960.095  413.568 1621.486 459.5479 
1 1 1  -17    5   56 o  2765.59  181.313  248.066   15.614  248.860   19.145  246.487   26.983  1874.50  338.647  ?   ?  0.000000 338.6471 
1 1 1  -17    5   58 o  1827.39  129.895   89.993   7.3842   83.985   9.0462  101.988   12.783  1313.20  228.284  618.122  284.885 695.0828 365.0659 
1 1 1  -17    5   60 o  1578.72  143.507   83.090   7.0166   78.992   8.5744   91.396   12.208  928.464  275.242  401.593  202.793 526.8710 341.8818 
1 1 1  -17    5   62 o  331.915  155.417   14.961   4.0452   14.961   4.0452   0.0000   0.0000  331.915  155.417  ?   ?  0.000000 155.4166 
1 1 1  -17    6    1 o  1528.12   71.366   36.746   3.4148   38.787   4.8509   34.741   4.8078  1563.17   99.626  1477.98  104.562 85.18396 144.4247 
1 1 1  -17    6    3 o  2002.35   76.221   63.121   4.7790   61.412   6.7625   64.827   6.7544  1966.13  110.289  2021.05  107.115 -54.91711 153.7439 
1 1 1  -17    6    5 o  2000.95   74.797   63.015   4.6864   65.935   6.6442   60.124   6.6110  2039.14  104.409  1945.87  108.939 93.27795 150.8938 
1 1 1  -17    6    7 o  1209.17   70.754   23.078   2.6672   24.561   3.7849   21.614   3.7593  1243.07   98.035  1164.46  104.204 78.60889 143.0707 
1 1 1  -17    6    9 o  2871.71   88.256  130.107   7.9360  126.621   11.218  133.600   11.228  2821.46  126.978  2899.34  123.681 -77.87720 177.2579 
1 1 1  -17    6   11 o  763.521   73.596   9.2628   1.7377   8.2413   2.4423   10.310   2.4730  712.276  113.300  801.103  100.819 -88.82678 151.6625 
1 1 1  -17    6   13 o  3187.96   94.329  160.763   9.4162  164.715   13.317  156.811   13.316  3210.97  132.450  3131.37  135.808 79.59570 189.7015 
1 1 1  -17    6   15 o  2387.08   79.968   89.959   5.9772   85.089   8.4225   94.900   8.4839  2307.89  116.931  2442.40  110.934 -134.5098 161.1803 
1 1 1  -17    6   17 o  2752.93   87.223  119.993   7.5187  118.519   10.625  121.471   10.641  2720.14  124.742  2754.48  123.378 -34.33960 175.4493 
1 1 1  -17    6   19 o  583.666   98.787   5.5638   1.7410   6.2409   2.2023   4.4352   2.8430  614.258  118.797  519.426  159.482 94.83142 198.8646 
1 1 1  -17    6   21 o  265.275  102.151   0.7557   1.1975   1.6717   1.5692  -0.5211   1.8528  340.540  119.238  260.805  115.288 79.73514 165.8587 
1 1 1  -17    6   23 o  2450.02   95.838   95.770   7.3524   97.355   9.0293   92.653   12.666  2458.79  117.278  2355.49  172.937 103.3003 208.9533 
1 1 1  -17    6   25 o  1511.16   73.252   36.194   3.4662   35.250   4.8569   37.174   4.9481  1478.16  105.632  1518.53  104.703 -40.36267 148.7306 
1 1 1  -17    6   27 o  2112.92   78.379   71.023   5.1856   70.685   7.2974   71.368   7.3704  2087.99  112.023  2097.70  112.622 -9.701904 158.8484 
1 1 1  -17    6   29 o  3190.81  110.861  165.457   11.076  169.840   19.231  163.281   13.549  3105.23  198.827  3138.51  137.874 -33.28320 241.9528 
1 1 1  -17    6   31 o  1363.46   86.258   30.016   3.6637   36.902   6.5484   26.879   4.4202  1474.53  143.654  1276.91  111.674 197.6218 181.9548 
1 1 1  -17    6   33 o  2789.99   90.343  125.980   7.8925  124.662   11.189  127.284   11.134  2726.65  131.058  2758.14  128.920 -31.48828 183.8386 
1 1 1  -17    6   35 o  1957.30   91.124   62.079   5.5848   68.969   9.7777   58.743   6.8039  1992.27  158.034  1881.35  116.063 110.9187 196.0753 
1 1 1  -17    6   37 o  1353.97   90.867   29.805   3.8301   30.946   6.9178   29.300   4.5993  1320.77  171.308  1330.16  111.454 -9.388672 204.3734 
1 1 1  -17    6   39 o  1700.73   91.095   47.055   4.8335   43.855   8.5689   48.549   5.8537  1562.05  178.391  1713.26  109.693 -151.2047 209.4176 
1 1 1  -17    6   41 o  2802.88  106.735  129.964   9.3676  126.986   16.294  131.433   11.449  2593.02  202.286  2780.35  131.504 -187.3303 241.2735 
1 1 1  -17    6   43 o  1382.48  114.342   32.338   4.9053   29.768   7.1781   34.590   6.7189  1250.46  189.242  1385.50  157.682 -135.0413 246.3248 
1 1 1  -17    6   45 o  2398.66  128.714  100.042   9.6321   90.862   13.777  108.819   13.472  2119.27  210.394  2388.57  181.480 -269.2966 277.8503 
1 1 1  -17    6   47 o  877.247  128.725   13.727   3.4307   17.202   5.1740   11.001   4.5831  928.250  184.510  723.728  196.972 204.5215 269.8922 
1 1 1  -17    6   49 o  2462.83  133.358  111.596   10.246  115.827   14.665  107.561   14.321  2283.71  207.334  2187.34  211.748 96.36768 296.3523 
1 1 1  -17    6   51 o  3241.65  131.395  205.179   13.337  205.138   16.387  205.260   22.953  3025.18  173.726  2304.76  327.246 720.4194 370.5006 
1 1 1  -17    6   53 o  3593.70  183.866  344.303   20.621  342.121   25.281  348.639   35.642  2859.63  286.184  816.630  401.329 2043.002 492.9160 
1 1 1  -17    6   55 o  1692.09  106.325   59.231   5.6048   66.914   6.9457   44.889   9.4895  1691.43  132.195  715.312  283.947 976.1133 313.2116 
1 1 1  -17    6   57 o  1088.45  113.424   27.395   3.8089   32.340   4.7727   18.720   6.3212  1085.34  143.990  434.211  200.197 651.1320 246.6005 
1 1 1  -17    6   59 o  826.677  148.146   21.532   3.6939   14.428   4.3565   39.706   6.9678  429.215  183.269  597.228  241.171 -168.0132 302.9044 
1 1 1  -17    6   61 f  711.095  276.069   82.679   8.8013   82.679   8.8013   0.0000   0.0000  711.095  276.069  ?   ?  0.000000 276.0687 
1 1 1  -17    7    2 o  1002.90   71.764   15.913   2.2387   16.202   3.1762   15.628   3.1559  1006.70  102.178  988.240  103.524 18.45605 145.4563 
1 1 1  -17    7    4 o  1035.43   70.903   16.950   2.2850   16.753   3.2190   17.151   3.2441  1024.07  101.732  1036.40  101.258 -12.32568 143.5361 
1 1 1  -17    7    6 o  981.496   71.846   15.242   2.1927   15.841   3.1049   14.646   3.0970  995.717  100.982  956.214  105.175 39.50317 145.8050 
1 1 1  -17    7    8 o  1880.03   74.816   55.665   4.4043   51.809   6.2224   59.536   6.2349  1804.20  110.678  1936.52  103.195 -132.3267 151.3232 
1 1 1  -17    7   10 o  1532.50   70.787   36.975   3.3968   36.249   4.8115   37.696   4.7962  1509.46  102.404  1539.98  100.005 -30.52515 143.1348 
1 1 1  -17    7   12 o  1197.68   71.466   22.675   2.6679   23.104   3.7827   22.250   3.7633  1203.26  101.343  1180.33  102.852 22.93176 144.3914 
1 1 1  -17    7   14 o  2185.90   78.660   75.417   5.3840   77.873   7.6104   72.957   7.6178  2212.72  109.840  2137.50  114.230 75.21753 158.4724 
1 1 1  -17    7   16 f  1144.49   82.211   20.814   2.9265   20.122   3.5838   22.201   5.0704  1120.38  103.318  1165.92  141.805 -45.53882 175.4515 
1 1 1  -17    7   18 o  995.892   83.271   15.810   2.5729   14.252   3.1416   18.983   4.4837  939.114  108.853  1077.24  135.952 -138.1287 174.1609 
1 1 1  -17    7   20 o  1816.62   87.525   52.381   4.9787   52.433   6.1271   52.280   8.5417  1807.80  108.745  1783.56  154.471 24.23462 188.9099 
1 1 1  -17    7   22 o  203.543   92.235  -0.7016   1.2676  -1.3332   1.3831   2.6126   3.1683  194.844   91.120  447.003  167.530 -252.1588 190.7073 
1 1 1  -17    7   24 o  2121.81   78.683   71.430   5.2277   69.224   7.3394   73.701   7.4479  2071.17  113.603  2138.36  111.620 -67.19214 159.2626 
1 1 1  -17    7   26 o  1381.73   74.862   30.386   3.2268   30.595   4.5830   30.182   4.5441  1374.79  107.313  1365.50  107.136 9.292847 151.6389 
1 1 1  -17    7   28 f  909.509   90.009   13.372   2.5297   18.371   4.5226   11.095   3.0517  1045.66  141.785  816.313  123.228 229.3502 187.8514 
1 1 1  -17    7   30 o  1378.94   76.258   30.449   3.2799   31.874   4.7324   29.132   4.5498  1394.89  109.221  1332.78  110.007 62.10425 155.0182 
1 1 1  -17    7   32 o  2177.52   94.386   76.764   6.4356   89.710   11.257   70.478   7.8440  2282.71  158.466  2060.76  122.105 221.9485 200.0525 
1 1 1  -17    7   34 o  617.361  118.687   6.4767   2.2110   11.668   4.0720   4.3060   2.6329  809.073  166.290  498.169  153.564 310.9042 226.3501 
1 1 1  -17    7   36 o  3296.70  115.472  178.917   11.920  192.363   20.680  172.227   14.587  3249.71  204.270  3187.88  146.131 61.83228 251.1589 
1 1 1  -17    7   38 o  3755.23  126.673  235.081   14.895  231.330   18.284  242.482   25.681  3660.48  159.522  3566.34  231.221 94.13330 280.9098 
1 1 1  -17    7   40 o  1188.94  118.325   23.712   4.3466   14.933   6.3159   31.610   5.9909  862.722  229.715  1353.98  143.494 -491.2629 270.8493 
1 1 1  -17    7   42 o  2171.24  119.770   79.513   8.1113   82.106   11.668   77.089   11.284  2118.57  177.526  2053.03  177.265 65.53442 250.8751 
1 1 1  -17    7   44 o  661.665  146.765   7.9585   2.9611   5.8359   4.6565   9.3997   3.8368  554.566  203.999  701.203  175.238 -146.6368 268.9308 
1 1 1  -17    7   46 o  868.781  134.057   13.441   3.5295   8.9530   5.3831   16.825   4.6745  641.767  221.064  947.694  163.426 -305.9267 274.9137 
1 1 1  -17    7   48 o  960.849  177.029   18.475   5.1299   0.0000   0.0000   18.475   5.1299  ?   ?   960.849  177.029 0.000000 177.0288 
1 1 1  -17    7   50 o  602.115  157.050   7.6093   2.9919   11.138   4.8907   5.4990   3.7821  655.128  210.314  488.385  183.039 166.7432 278.8109 
1 1 1  -17    7   52 o  665.357  135.963   9.3092   2.7370   8.9435   3.4943   9.8897   4.4025  588.931  175.966  567.397  199.658 21.53424 266.1342 
1 1 1  -17    7   54 o  763.822  133.864   13.128   3.0849   10.118   3.8960   18.186   5.0510  544.629  188.040  718.197  210.803 -173.5677 282.4839 
1 1 1  -17    7   56 o  946.803  120.417   20.544   3.4892   24.118   4.4244   14.664   5.6746  933.481  156.935  455.729  201.593 477.7513 255.4767 
1 1 1  -17    7   58 o  2227.60  160.624  160.792   11.129  157.326   13.680  167.572   19.134  1409.58  317.571  ?   ?  0.000000 317.5711 
1 1 1  -17    7   60 o  1152.20  268.866  100.067   9.5231  100.067   9.5231   0.0000   0.0000  1152.20  268.866  ?   ?  0.000000 268.8664 
1 1 1  -17    8    1 o  2175.84   78.731   74.659   5.3640   73.221   7.6018   76.086   7.5700  2143.54  113.664  2186.07  110.953 -42.53442 158.8397 
1 1 1  -17    8    3 o  862.410   73.139   11.797   1.9564   11.360   2.7984   12.215   2.7363  839.456  109.036  872.431  102.095 -32.97522 149.3732 
1 1 1  -17    8    5 o  1680.00   73.671   44.457   3.8755   41.373   5.4810   47.542   5.4806  1611.26  109.282  1729.70  101.637 -118.4330 149.2399 
1 1 1  -17    8    7 o  374.115  103.796   2.2840   1.2586   3.1279   1.8145   1.5015   1.7473  437.906  125.728  341.257  125.050 96.64984 177.3276 
1 1 1  -17    8    9 o  1541.34   72.920   37.427   3.5193   39.926   4.9928   34.959   4.9615  1584.33  101.171  1480.47  107.768 103.8574 147.8158 
1 1 1  -17    8   11 o  394.381  106.525   2.5521   1.3465   4.5223   1.9325   0.6932   1.8771  522.594  120.554  309.846  125.157 212.7476 173.7740 
1 1 1  -17    8   13 o  951.491   83.623   14.414   2.4661   16.231   3.0979   11.270   4.0748  1006.81   99.572  820.363  164.358 186.4431 192.1669 
1 1 1  -17    8   15 o  1308.83   82.653   27.191   3.3699   27.907   4.1673   25.838   5.7285  1321.51  101.485  1256.79  148.431 64.72205 179.8081 
1 1 1  -17    8   17 o  414.271  117.751   2.8170   1.5996   3.3866   2.0886   2.0090   2.4876  455.275  136.045  398.134  148.597 57.14047 201.4679 
1 1 1  -17    8   19 o  2218.38   78.967   77.868   5.4853   77.248   7.7587   78.486   7.7561  2194.63  113.290  2212.64  112.316 -18.01050 159.5296 
1 1 1  -17    8   21 o  421.230  122.951   2.9136   1.7225   2.1370   2.0660   4.6842   3.1195  386.083  136.676  533.628  167.591 -147.5441 216.2569 
1 1 1  -17    8   23 o  1824.39   76.676   52.734   4.3802   55.517   6.2022   49.965   6.1869  1858.66  107.021  1760.43  112.831 98.23352 155.5129 
1 1 1  -17    8   25 o  691.418   93.953   7.7672   1.9814   6.9485   2.9664   8.4268   2.6624  637.694  150.909  711.892  123.942 -74.19830 195.2827 
1 1 1  -17    8   27 o  1853.14   88.934   54.908   5.1605   53.386   8.9712   55.660   6.3088  1778.43  162.912  1853.14  109.205 -74.71338 196.1275 
1 1 1  -17    8   29 o  915.526   94.267   13.621   2.6637   16.423   4.8719   12.427   3.1814  972.425  165.958  863.957  120.913 108.4681 205.3333 
1 1 1  -17    8   31 f  2047.96   91.034   67.578   5.8377   67.248   10.277   67.735   7.0934  1971.86  168.042  2033.08  111.855 -61.22180 201.8651 
1 1 1  -17    8   33 o  3759.05  157.053  240.942   18.486  238.069   26.199  243.790   26.087  3552.59  236.876  3606.94  232.215 -54.34961 331.7141 
1 1 1  -17    8   35 o  640.226  119.855   6.9313   2.3144   11.677   3.0133   0.1043   3.6142  836.037  118.417  378.418  164.290 457.6189 202.5185 
1 1 1  -17    8   37 o  2861.57  106.412  133.559   9.5348  134.964   11.745  130.842   16.330  2846.30  131.780  2704.80  194.101 141.4990 234.6082 
1 1 1  -17    8   39 o  772.180  139.637   10.316   3.2520   4.9613   4.9133   14.490   4.3382  551.125  208.189  907.103  158.503 -355.9778 261.6599 
1 1 1  -17    8   41 o  1219.45  117.812   24.985   4.4425   21.809   6.5294   27.722   6.0620  1072.43  201.846  1252.60  158.075 -180.1731 256.3777 
1 1 1  -17    8   43 o  777.510  145.027   10.765   3.4009   12.140   5.1946   9.7338   4.4992  778.914  208.749  704.765  196.497 74.14917 286.6829 
1 1 1  -17    8   45 f  2810.61  137.448  137.867   12.096  133.834   17.256  141.762   16.961  2580.15  215.569  2689.16  202.922 -109.0076 296.0528 
1 1 1  -17    8   47 o  998.357  125.132   17.584   3.8258   21.303   5.5668   14.255   5.2667  1046.94  176.059  821.024  205.382 225.9189 270.5152 
1 1 1  -17    8   49 o  1828.14  125.715   60.966   7.1527   51.436   10.285   69.892   9.9539  1457.22  233.274  1842.68  174.598 -385.4569 291.3777 
1 1 1  -17    8   51 o  631.472  165.658   9.1277   3.3164   7.1032   5.3165   10.417   4.2431  485.369  204.639  625.724  195.286 -140.3552 282.8668 
1 1 1  -17    8   53 o  321.905  135.139   1.9817   2.3025   2.9724   3.0043   0.5713   3.5845  357.910  152.490  310.914  145.811 46.99576 210.9837 
1 1 1  -17    8   55 o  1963.38  114.094   82.333   6.9840   80.151   8.6284   86.478   11.893  1723.46  161.780  1198.85  313.335 524.6072 352.6356 
1 1 1  -17    8   57 o  475.821  154.303   7.4170   2.6276   9.2681   3.3025   4.2239   4.3375  477.730  172.393  312.159  150.263 165.5711 228.6881 
1 1 1  -17    8   59 f  607.312  202.843   20.706   4.5286   20.706   4.5286   0.0000   0.0000  607.312  202.843  ?   ?  0.000000 202.8433 
1 1 1  -17    8   61 o  647.494  163.245   17.509   3.3089   18.097   4.2207   16.572   5.3301  445.274  184.630  315.354  155.024 129.9197 241.0826 
1 1 1  -17    9    2 o  996.604   82.731   15.785   2.5584   17.178   4.3674   15.057   3.1567  1026.69  139.462  968.569  105.804 58.12048 175.0551 
1 1 1  -17    9    4 o  1364.83   82.161   29.504   3.4949   27.178   6.0052   30.695   4.2977  1291.84  151.324  1388.53   99.507 -96.68542 181.1087 
1 1 1  -17    9    6 o  967.131   84.880   14.881   2.5445   15.607   4.3986   14.517   3.1193  975.273  148.743  950.721  106.620 24.55188 183.0096 
1 1 1  -17    9    8 o  1283.18   84.226   26.113   3.3654   28.615   5.8608   24.882   4.1107  1328.18  143.188  1247.69  106.229 80.49146 178.2899 
1 1 1  -17    9   10 o  1216.89   83.818   23.500   3.1743   25.184   3.9431   20.399   5.3507  1256.21  101.100  1113.92  157.821 142.2904 187.4264 
1 1 1  -17    9   12 o  1654.99   83.968   43.397   4.3371   48.227   5.3535   34.173   7.3984  1741.06   98.605  1442.11  166.926 298.9460 193.8741 
1 1 1  -17    9   14 o  552.801  106.218   5.0183   1.7718   7.3335   2.2644   1.3633   2.8452  669.898  111.900  389.763  155.239 280.1346 191.3656 
1 1 1  -17    9   16 o  2464.09   82.981   96.053   6.4025  100.290   9.0629   91.832   9.0463  2505.74  115.508  2392.53  121.147 113.2053 167.3881 
1 1 1  -17    9   18 f  494.174  100.027   4.0200   1.4947   5.5211   2.1195   2.5350   2.1081  576.749  121.214  408.955  138.389 167.7942 183.9682 
1 1 1  -17    9   20 o  1001.87   90.012   16.059   2.7936   15.781   3.3256   16.726   5.1494  988.097  109.317  996.414  171.213 -8.316833 203.1358 
1 1 1  -17    9   22 o  1100.24   79.449   19.279   2.7187   16.856   3.9775   21.403   3.7247  1014.48  128.066  1152.79  104.316 -138.3076 165.1754 
1 1 1  -17    9   24 o  2205.89   80.076   77.245   5.5310   76.945   7.8575   77.540   7.7869  2182.73  115.375  2192.06  113.839 -9.332275 162.0828 
1 1 1  -17    9   26 o  2024.09   91.753   65.510   5.8152   71.075   10.208   62.836   7.0758  2060.36  159.463  1967.45  115.360 92.91211 196.8155 
1 1 1  -17    9   28 o  862.173  120.367   12.333   3.1609   12.356   4.7387   12.314   4.2426  833.235  186.301  841.158  166.971 -7.922485 250.1751 
1 1 1  -17    9   30 o  384.933  140.656   2.1051   2.2084  -2.2925   3.5771   4.8135   2.8073  325.344  150.212  528.087  157.707 -202.7427 217.7958 
1 1 1  -17    9   32 o  563.263  125.546   5.4086   2.1577   5.3933   2.7863   5.4315   3.4103  556.320  154.465  558.575  175.198 -2.255310 233.5673 
1 1 1  -17    9   34 o  1514.49  109.805   37.480   5.1719   38.841   7.5044   36.248   7.1376  1506.35  161.628  1456.71  159.066 49.63794 226.7725 
1 1 1  -17    9   36 o  3145.82  140.624  165.212   13.852  152.377   19.694  177.779   19.487  2890.99  219.189  3164.99  197.618 -274.0002 295.1213 
1 1 1  -17    9   38 o  2574.50  127.709  110.034   10.295   92.541   14.648  127.109   14.472  2248.66  210.488  2701.58  171.977 -452.9211 271.8109 
1 1 1  -17    9   40 o  3124.78  142.923  166.142   13.984  155.393   19.935  176.556   19.622  2855.21  224.792  3092.98  203.750 -237.7727 303.3901 
1 1 1  -17    9   42 o  3849.89  169.003  264.112   20.373  240.556   28.936  287.268   28.689  3340.02  279.241  3772.01  244.213 -431.9890 370.9656 
1 1 1  -17    9   44 o  624.795  158.041   7.1823   3.0941   3.2099   4.8975   9.8208   3.9915  487.356  200.161  719.821  178.072 -232.4651 267.9063 
1 1 1  -17    9   46 o  730.109  154.807   9.8923   3.4293   2.3445   5.3488   15.160   4.4686  466.648  201.226  899.781  164.673 -433.1335 260.0178 
1 1 1  -17    9   48 o  1337.14  121.377   31.780   5.0266   24.689   7.1309   38.783   7.0866  1038.09  225.805  1413.85  163.062 -375.7581 278.5263 
1 1 1  -17    9   50 o  1882.57  127.381   67.257   7.4646   78.655   10.867   57.075   10.271  1851.69  190.130  1483.73  228.401 367.9556 297.1807 
1 1 1  -17    9   52 o  1691.18   99.141   52.892   5.2271   54.672   6.4435   49.466   8.9390  1644.25  126.113  1273.42  232.758 370.8285 264.7278 
1 1 1  -17    9   54 o  2325.35  120.139  114.231   8.7177  110.483   10.700  121.628   15.034  2050.50  168.136  1452.20  337.108 598.2972 376.7115 
1 1 1  -17    9   56 o  2203.38  127.843  114.924   8.7824  104.263   10.754  136.273   15.218  1707.37  205.266  1153.12  371.072 554.2501 424.0623 
1 1 1  -17    9   58 o  ?   ?   164.160   19.867  164.160   19.867   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -17    9   60 o  1553.96  142.356   77.356   6.8498   72.632   8.4082   86.677   11.811  922.758  272.308  439.571  218.668 483.1870 349.2384 
1 1 1  -17   10    1 o  778.519  107.899   9.8004   2.5596   12.141   3.6957   7.6426   3.5484  859.360  142.324  674.044  168.561 185.3163 220.6106 
1 1 1  -17   10    3 o  2121.50   87.810   71.133   5.8332   72.958   10.108   70.221   7.1426  2123.31  153.055  2099.85  109.005 23.46680 187.9046 
1 1 1  -17   10    5 o  497.332  114.583   4.0885   1.7477   3.8101   2.8293   4.2603   2.2223  492.363  160.142  507.253  136.787 -14.89050 210.6091 
1 1 1  -17   10    7 f  782.312   90.754   9.8057   2.1818   9.4617   3.6956   9.9897   2.7032  751.733  161.796  784.865  113.271 -33.13202 197.5051 
1 1 1  -17   10    9 o  593.918  124.741   5.8345   2.2460   5.2407   3.3207   6.3353   3.0493  565.417  172.127  614.914  157.632 -49.49689 233.3997 
1 1 1  -17   10   11 o  585.083  130.356   5.6863   2.3270   3.1686   3.3480   8.0393   3.2367  478.615  173.444  693.119  153.208 -214.5035 231.4203 
1 1 1  -17   10   13 o  1424.32   84.731   32.184   3.7619   28.367   6.4508   34.151   4.6308  1314.56  160.020  1463.20  101.704 -148.6506 189.6050 
1 1 1  -17   10   15 o  823.824   93.329   10.891   2.3650   12.759   4.0623   9.9333   2.9088  876.375  153.635  779.144  123.337 97.23065 197.0165 
1 1 1  -17   10   17 o  687.622  102.342   7.6771   2.1364   1.7269   3.7301   10.582   2.6062  441.325  177.074  808.804  105.412 -367.4797 206.0748 
1 1 1  -17   10   19 o  1702.43  110.568   46.478   5.8621   43.852   8.2180   49.199   8.3645  1630.93  163.109  1731.95  155.908 -101.0165 225.6359 
1 1 1  -17   10   21 o  1494.53   87.119   35.571   4.0593   35.175   7.2598   35.752   4.8961  1456.69  161.902  1492.52  105.443 -35.83667 193.2111 
1 1 1  -17   10   23 o  333.290  136.839   0.7027   2.2880   0.0000   0.0000   0.7027   2.2880  ?   ?   333.290  136.839 0.000000 136.8394 
1 1 1  -17   10   25 o  909.107  156.562   14.016   4.2959   0.0000   0.0000   14.016   4.2959  ?   ?   909.107  156.562 0.000000 156.5622 
1 1 1  -17   10   27 o  383.272  151.176   1.5613   2.6740   0.0000   0.0000   1.5613   2.6740  ?   ?   383.272  151.176 0.000000 151.1760 
1 1 1  -17   10   29 f  2561.38  125.442  107.426   10.061   96.156   14.333  118.373   14.126  2343.52  197.148  2633.99  172.220 -290.4707 261.7764 
1 1 1  -17   10   31 o  956.433  116.192   15.080   3.4083   14.702   5.0481   15.396   4.6204  912.449  183.052  945.492  161.887 -33.04370 244.3668 
1 1 1  -17   10   33 o  3649.42  151.594  222.443   17.323  223.531   24.679  221.387   24.322  3524.37  224.804  3512.45  222.286 11.92554 316.1450 
1 1 1  -17   10   35 o  3188.08  141.253  168.747   14.101  154.796   20.051  182.398   19.834  2931.96  220.004  3224.21  197.410 -292.2444 295.5886 
1 1 1  -17   10   37 o  1592.71  114.072   41.624   5.6513   39.359   8.3155   43.567   7.7039  1498.55  180.872  1598.80  155.869 -100.2487 238.7673 
1 1 1  -17   10   39 o  2020.83  119.682   67.630   7.5394   59.087   10.856   75.590   10.479  1810.16  194.582  2091.40  161.258 -281.2386 252.7179 
1 1 1  -17   10   41 o  872.166  135.588   13.082   3.5826   15.435   5.4511   11.293   4.7534  906.744  197.576  773.376  196.031 133.3680 278.3238 
1 1 1  -17   10   43 f  644.903  157.233   7.5431   3.1464   5.8003   4.9588   8.7176   4.0708  568.110  210.242  678.365  186.059 -110.2549 280.7478 
1 1 1  -17   10   45 o  1387.46  120.038   32.826   5.1637   34.161   7.6231   31.693   7.0192  1343.44  186.224  1304.93  176.299 38.51880 256.4386 
1 1 1  -17   10   47 o  1619.57  121.339   45.858   6.1087   46.102   8.9111   45.642   8.3903  1512.52  192.517  1527.64  178.787 -15.12024 262.7310 
1 1 1  -17   10   49 o  3614.35  192.869  289.475   21.749  288.210   30.932  290.711   30.586  2714.69  373.807  2789.73  358.431 -75.04272 517.8849 
1 1 1  -17   10   51 o  1964.49  140.027   79.164   8.5571   72.903   12.461   84.750   11.771  1444.18  285.683  1771.40  216.744 -327.2197 358.5982 
1 1 1  -17   10   53 o  2874.78  133.997  178.034   12.062  168.460   14.816  196.852   20.772  2456.52  194.196  1798.70  380.681 657.8134 427.3526 
1 1 1  -17   10   55 f  1862.57  113.540   73.348   6.5902   70.489   8.0849   79.010   11.377  1632.87  160.189  1186.72  304.617 446.1537 344.1685 
1 1 1  -17   10   57 o  2425.08  150.035  163.661   11.337  157.505   13.908  175.851   19.572  1773.97  257.933  627.217  305.937 1146.750 400.1582 
1 1 1  -17   10   59 f  455.931  166.410   9.4528   3.0899   11.206   3.7811   5.9286   5.3612  430.929  176.301  288.095  143.945 142.8346 227.6005 
1 1 1  -17   11    2 o  919.964   86.827   13.486   2.4716   15.594   3.1092   9.8669   4.0737  986.772  102.105  765.724  173.870 221.0484 201.6344 
1 1 1  -17   11    4 o  358.177  109.984   2.0399   1.3521   2.4734   1.9772   1.6591   1.8531  403.046  134.008  354.527  128.950 48.51886 185.9739 
1 1 1  -17   11    6 o  1018.53   82.747   16.482   2.6162   19.141   3.2977   11.966   4.2975  1095.30   97.162  846.221  168.113 249.0784 194.1705 
1 1 1  -17   11    8 o  611.063  101.414   6.0716   1.8724   5.4765   2.3407   7.1291   3.1203  574.125  132.838  652.610  155.000 -78.48431 204.1348 
1 1 1  -17   11   10 o  430.109  119.283   3.0369   1.6626   4.9542   2.7759   1.9643   2.0762  546.852  155.009  379.789  136.737 167.0636 206.6998 
1 1 1  -17   11   12 o  1299.62   85.033   26.805   3.4413   28.382   6.0181   26.039   4.1948  1319.99  148.161  1276.08  105.940 43.91235 182.1401 
1 1 1  -17   11   14 o  853.823   93.797   11.685   2.4664   13.958   4.2437   10.526   3.0307  918.402  152.949  802.568  124.645 115.8334 197.3062 
1 1 1  -17   11   16 o  2162.40  114.703   74.820   7.7388   72.003   11.070   77.512   10.823  2094.34  170.280  2179.40  159.704 -85.05615 233.4540 
1 1 1  -17   11   18 o  1965.57  165.980   63.521   10.120   63.521   10.120   0.0000   0.0000  1965.57  165.980  ?   ?  0.000000 165.9803 
1 1 1  -17   11   20 o  578.684  171.563   5.6196   3.3312   0.0000   0.0000   5.6196   3.3312  ?   ?   578.684  171.563 0.000000 171.5630 
1 1 1  -17   11   22 f  1691.55  155.131   47.271   8.1252   0.0000   0.0000   47.271   8.1252  ?   ?   1691.55  155.131 0.000000 155.1312 
1 1 1  -17   11   24 o  1189.30  151.386   23.600   5.5098   0.0000   0.0000   23.600   5.5098  ?   ?   1189.30  151.386 0.000000 151.3864 
1 1 1  -17   11   26 o  1047.22  116.040   17.937   3.7411   13.929   5.7045   20.962   4.9556  880.769  209.833  1120.56  144.611 -239.7935 254.8378 
1 1 1  -17   11   28 o  1311.31  108.361   27.915   4.4095   30.542   6.6353   25.838   5.9009  1344.53  160.796  1238.34  155.619 106.1936 223.7696 
1 1 1  -17   11   30 o  874.309  125.550   12.679   3.3385   10.771   5.1391   14.071   4.3913  772.927  207.834  907.059  160.484 -134.1321 262.5841 
1 1 1  -17   11   32 o  1879.57  114.904   57.391   6.7301   53.632   9.7603   60.799   9.2924  1772.58  178.267  1905.36  157.154 -132.7755 237.6474 
1 1 1  -17   11   34 o  1175.79  159.345   23.462   5.7154   0.0000   0.0000   23.462   5.7154  ?   ?   1175.79  159.345 0.000000 159.3447 
1 1 1  -17   11   36 o  402.235  151.393   2.1543   2.5927   1.9393   4.0533   2.3031   3.3730  449.611  183.077  436.524  170.505 13.08698 250.1789 
1 1 1  -17   11   38 o  3456.13  150.193  201.482   16.254  190.788   23.151  211.877   22.826  3202.63  232.441  3415.29  214.530 -212.6628 316.3095 
1 1 1  -17   11   40 o  1281.98  118.465   27.319   4.7016   22.686   6.9199   31.292   6.4078  1104.29  207.749  1346.23  154.829 -241.9397 259.0976 
1 1 1  -17   11   42 f  1680.04  115.586   46.931   6.0435   50.992   8.8060   43.315   8.3093  1698.69  167.747  1559.17  173.121 139.5233 241.0600 
1 1 1  -17   11   44 o  1879.29  120.053   59.558   7.0277   54.757   10.236   63.839   9.6660  1706.50  195.059  1887.37  165.222 -180.8704 255.6291 
1 1 1  -17   11   46 o  1376.32  121.898   32.785   5.1990   26.703   7.5574   38.249   7.1633  1127.05  222.045  1437.27  161.994 -310.2166 274.8568 
1 1 1  -17   11   48 o  3016.47  155.724  176.124   14.658  173.936   20.991  178.207   20.478  2584.64  263.039  2678.03  246.994 -93.39038 360.8263 
1 1 1  -17   11   50 o  505.687  162.274   5.7437   2.9118   2.6531   3.8336   9.9584   4.4768  392.720  169.849  612.119  201.558 -219.3990 263.5795 
1 1 1  -17   11   52 o  2432.23  116.478  115.421   8.8708  107.671   10.918  130.476   15.217  2155.11  162.994  1996.48  248.820 158.6282 297.4528 
1 1 1  -17   11   54 o  2026.39  116.111   84.690   7.3367   71.433   9.0554  110.020   12.517  1601.31  183.938  1794.96  227.831 -193.6576 292.8146 
1 1 1  -17   11   56 o  2356.93  133.307  133.147   9.7979  128.817   12.002  141.796   16.964  1946.53  199.747  911.487  373.225 1035.046 423.3158 
1 1 1  -17   11   58 o  1093.06  125.015   29.801   4.2019   25.671   5.1461   38.063   7.2780  762.856  209.178  683.276  254.338 79.57928 329.3070 
1 1 1  -17   12    1 o  2501.29   84.073   98.782   6.5848   94.786   9.2824  102.829   9.3424  2439.05  121.540  2541.91  117.377 -102.8560 168.9657 
1 1 1  -17   12    3 o  1368.77   86.790   29.710   3.7006   30.238   4.4839   28.581   6.5531  1376.98  104.782  1321.94  161.685 55.04419 192.6683 
1 1 1  -17   12    5 o  1180.44   84.967   22.114   3.1196   24.146   3.8894   18.448   5.2236  1230.27  101.881  1057.87  162.924 172.3973 192.1563 
1 1 1  -17   12    7 o  609.811  102.002   6.0481   1.8789   7.3437   2.3834   3.9210   3.0539  669.911  117.929  502.591  166.519 167.3197 204.0485 
1 1 1  -17   12    9 o  1601.86   86.526   40.658   4.3239   40.939   5.3712   40.140   7.2885  1602.21  107.686  1573.14  149.771 29.07751 184.4657 
1 1 1  -17   12   11 o  574.459  107.155   5.4048   1.8566   6.2934   2.3755   4.0101   2.9760  616.870  127.208  504.413  164.252 112.4571 207.7514 
1 1 1  -17   12   13 f  1027.90   90.407   16.847   2.8802   20.056   3.6797   11.770   4.6281  1118.59  106.335  833.852  182.335 284.7411 211.0758 
1 1 1  -17   12   15 o  626.889  112.616   6.4447   2.1293   5.4200   2.8093   7.8283   3.2644  569.197  153.921  682.473  156.139 -113.2756 219.2511 
1 1 1  -17   12   17 o  1553.27  155.890   39.532   7.4797   39.532   7.4797   0.0000   0.0000  1553.27  155.890  ?   ?  0.000000 155.8898 
1 1 1  -17   12   19 o  491.918  142.237   4.0106   2.3150   5.7793   3.5022   2.6380   3.0851  587.419  176.310  446.542  165.717 140.8778 241.9657 
1 1 1  -17   12   21 o  509.015  143.168   4.3369   2.3775   5.5644   3.5594   3.3480   3.1948  576.842  178.670  477.104  169.846 99.73834 246.5164 
1 1 1  -17   12   23 o  1903.30   89.945   57.683   5.3605   59.361   6.6082   54.452   9.1664  1919.75  110.396  1808.46  163.645 111.2954 197.4009 
1 1 1  -17   12   25 o  1649.31  111.077   43.949   5.7030   42.894   8.2920   44.897   7.8563  1598.02  168.241  1643.84  154.440 -45.82019 228.3784 
1 1 1  -17   12   27 o  1146.50  114.354   21.388   4.0505   20.654   6.0122   21.997   5.4812  1096.50  181.454  1144.51  157.091 -48.00464 240.0065 
1 1 1  -17   12   29 o  773.616  132.486   9.9826   3.0939   11.430   4.8163   8.9659   4.0369  806.249  193.287  717.420  180.003 88.82855 264.1228 
1 1 1  -17   12   31 o  477.588  150.931   3.7431   2.5264   4.2973   4.1687   3.4214   3.1761  534.346  193.553  477.043  169.397 57.30280 257.2126 
1 1 1  -17   12   33 o  1627.63  114.265   42.983   5.7866   37.415   8.4603   47.878   7.9322  1475.42  187.351  1696.74  150.874 -221.3190 240.5480 
1 1 1  -17   12   35 o  2469.89  177.855  104.071   13.663   0.0000   0.0000  104.071   13.663  ?   ?   2469.89  177.855 0.000000 177.8554 
1 1 1  -17   12   37 o  2790.07  134.727  128.669   11.770  100.302   16.780  156.147   16.515  2338.93  232.184  3014.67  175.711 -675.7458 291.1768 
1 1 1  -17   12   39 o  1074.39  123.191   19.223   4.0695   15.876   6.0104   22.056   5.5299  923.297  212.326  1129.30  160.936 -205.9987 266.4259 
1 1 1  -17   12   41 o  2757.54  135.055  127.415   11.661  104.836   16.646  149.175   16.341  2356.94  228.420  2906.26  180.463 -549.3162 291.1059 
1 1 1  -17   12   43 o  2142.20  121.979   76.900   8.1482   76.648   11.735   77.134   11.323  2055.04  184.327  2073.97  176.015 -18.93506 254.8686 
1 1 1  -17   12   45 o  541.641  151.206   5.3926   2.6624   8.8395   3.4242   0.1228   4.2339  688.866  161.545  391.135  173.520 297.7310 237.0780 
1 1 1  -17   12   47 o  2009.25   99.806   68.556   6.2793   66.716   7.7776   72.002   10.642  1928.77  129.531  1893.23  181.744 35.54724 223.1796 
1 1 1  -17   12   49 o  992.328  119.187   18.144   3.6293   17.264   4.6078   19.583   5.8906  904.510  168.901  892.825  213.576 11.68536 272.2911 
1 1 1  -17   12   51 o  1680.11  103.600   51.764   5.4237   50.708   6.7409   53.702   9.1333  1577.83  137.823  1430.24  210.211 147.5974 251.3642 
1 1 1  -17   12   53 o  498.676  169.496   6.8259   3.1625   8.4835   4.0042   4.0773   5.1561  515.376  189.234  385.883  178.927 129.4933 260.4309 
1 1 1  -17   12   55 o  1424.91  114.961   42.662   5.0856   38.433   6.3311   50.355   8.5385  1169.32  178.577  1116.22  250.454 53.09766 307.5981 
1 1 1  -17   12   57 o  1508.70  172.151   69.736   7.9870   60.277   11.429   78.764   11.166  590.499  271.124  945.900  318.499 -355.4013 418.2705 
1 1 1  -17   13    2 o  2021.77  112.230   65.152   7.0769   65.152   7.0769   0.0000   0.0000  2021.77  112.230  ?   ?  0.000000 112.2296 
1 1 1  -17   13    4 o  1020.31   92.065   16.592   2.9097   15.681   3.5121   18.586   5.1954  986.518  115.906  1062.39  161.242 -75.86700 198.5776 
1 1 1  -17   13    6 o  931.341   93.895   13.858   2.7009   13.151   3.2553   15.420   4.8380  901.708  118.138  964.211  166.247 -62.50275 203.9478 
1 1 1  -17   13    8 o  1150.46   89.021   21.043   3.1819   18.696   3.8328   26.249   5.7074  1078.22  115.313  1270.72  146.098 -192.4985 186.1233 
1 1 1  -17   13   10 f  1794.45  110.040   51.365   6.1531   51.365   6.1531   0.0000   0.0000  1794.45  110.040  ?   ?  0.000000 110.0400 
1 1 1  -17   13   12 o  1548.99   89.081   38.080   4.3025   36.566   5.2928   41.028   7.3872  1511.69  112.625  1588.88  150.266 -77.19470 187.7873 
1 1 1  -17   13   14 o  340.984  131.007   1.2787   1.9664   0.8869   3.5089   1.4581   2.3743  406.710  168.468  370.196  143.480 36.51328 221.2872 
1 1 1  -17   13   16 o  1506.30  106.846   36.312   5.0068   38.615   7.2023   34.158   6.9650  1537.15  151.613  1442.83  156.684 94.31213 218.0278 
1 1 1  -17   13   18 o  1014.15  113.163   16.635   3.5323   15.013   5.1355   18.091   4.8661  940.229  181.003  1044.98  153.272 -104.7515 237.1800 
1 1 1  -17   13   20 o  1225.84   88.856   23.981   3.3875   26.987   4.2665   18.853   5.5720  1295.75  106.086  1057.05  174.431 238.7047 204.1574 
1 1 1  -17   13   22 o  826.802  100.081   11.057   2.5383   9.8262   3.1979   13.153   4.1728  767.770  138.098  884.668  156.357 -116.8979 208.6110 
1 1 1  -17   13   24 o  1589.42  111.314   40.705   5.5050   37.882   8.1057   43.123   7.5000  1501.95  175.671  1618.08  149.725 -116.1317 230.8197 
1 1 1  -17   13   26 o  3486.09  118.711  195.597   12.958  189.865   15.908  206.903   22.341  3407.94  149.071  3487.28  205.505 -79.33740 253.8786 
1 1 1  -17   13   28 o  957.187   97.905   14.757   2.8931   13.703   3.7136   16.385   4.6146  910.877  134.225  990.232  153.816 -79.35431 204.1464 
1 1 1  -17   13   30 o  972.497  100.117   15.257   3.0051   13.968   3.8079   17.385   4.8932  918.499  136.555  1017.86  158.703 -99.36346 209.3649 
1 1 1  -17   13   32 o  980.336   99.701   15.519   3.0179   18.966   3.8690   10.163   4.8228  1079.16  116.336  759.399  200.038 319.7638 231.4071 
1 1 1  -17   13   34 o  1624.90   92.587   42.327   4.6913   41.688   5.8616   43.465   7.8249  1601.11  117.742  1612.30  156.986 -11.18774 196.2338 
1 1 1  -17   13   36 o  759.423  136.514   9.7346   3.1269   10.161   4.6260   9.3757   4.2430  753.531  194.675  726.808  185.742 26.72241 269.0697 
1 1 1  -17   13   38 o  2577.94  101.539  107.333   8.1964  108.846   10.128  104.460   13.954  2575.24  125.594  2455.69  182.786 119.5559 221.7761 
1 1 1  -17   13   40 o  2190.30  122.947   79.186   8.3980   79.186   8.3980   0.0000   0.0000  2190.30  122.947  ?   ?  0.000000 122.9468 
1 1 1  -17   13   42 o  935.978  111.076   14.567   3.1919   12.639   4.1048   17.516   5.0764  844.893  161.035  992.326  169.460 -147.4334 233.7711 
1 1 1  -17   13   44 o  1617.79   97.435   43.159   4.9128   40.633   6.1134   47.764   8.2546  1542.02  127.762  1630.10  163.943 -88.07922 207.8476 
1 1 1  -17   13   46 o  1724.33   98.626   50.074   5.3030   46.708   6.5641   56.400   8.9981  1623.72  130.201  1718.66  169.406 -94.94189 213.6599 
1 1 1  -17   13   48 o  577.900  158.735   6.8493   2.9605   4.7786   3.8274   9.9334   4.6710  476.375  182.831  642.530  205.459 -166.1548 275.0286 
1 1 1  -17   13   50 o  1276.25  108.784   29.746   4.3058   22.818   5.3523   42.454   7.2491  1013.61  174.959  1395.76  169.331 -382.1479 243.4823 
1 1 1  -17   13   52 o  1408.54  111.312   37.920   4.8694   36.099   6.0946   41.134   8.0971  1270.61  156.494  1184.51  226.567 86.10217 275.3599 
1 1 1  -17   13   54 o  1334.57  148.298   41.434   6.0924   40.491   8.5930   42.388   8.6390  944.327  274.323  990.286  270.811 -45.95844 385.4761 
1 1 1  -17   13   56 o  623.216  312.586  238.748   26.442  238.748   26.442   0.0000   0.0000  623.216  312.586  ?   ?  0.000000 312.5862 
1 1 1  -17   14    1 o  1203.03  152.171   23.648   5.6041   23.648   5.6041   0.0000   0.0000  1203.03  152.171  ?   ?  0.000000 152.1710 
1 1 1  -17   14    3 o  1372.92  110.214   30.135   4.6981   30.135   4.6981   0.0000   0.0000  1372.92  110.214  ?   ?  0.000000 110.2141 
1 1 1  -17   14    5 f  1963.69  110.702   61.464   6.7791   61.464   6.7791   0.0000   0.0000  1963.69  110.702  ?   ?  0.000000 110.7016 
1 1 1  -17   14    7 o  1429.98  109.728   32.675   4.8757   32.675   4.8757   0.0000   0.0000  1429.98  109.728  ?   ?  0.000000 109.7279 
1 1 1  -17   14    9 o  1529.73  111.416   37.404   5.3001   37.404   5.3001   0.0000   0.0000  1529.73  111.416  ?   ?  0.000000 111.4158 
1 1 1  -17   14   11 o  293.306  129.058  -0.5621   2.2961   1.9737   3.3637  -2.7748   3.1421  435.288  170.202  297.130  138.415 138.1582 219.3795 
1 1 1  -17   14   13 o  802.632  132.884   10.588   3.2228   13.861   4.5404   7.2639   4.5754  911.046  165.245  659.315  202.300 251.7310 261.2116 
1 1 1  -17   14   15 o  694.484  116.412   7.8986   2.4419   7.6163   2.9972   8.4558   4.2115  674.653  146.107  704.235  187.613 -29.58215 237.7935 
1 1 1  -17   14   17 o  593.208  127.151   5.8532   2.2908   7.7006   2.8072   2.1705   3.9635  680.148  136.555  464.216  183.750 215.9325 228.9352 
1 1 1  -17   14   19 o  825.713  104.822   11.030   2.6491   9.8543   3.2573   13.328   4.5530  770.091  140.248  888.808  169.786 -118.7164 220.2204 
1 1 1  -17   14   21 o  316.962  129.060   0.6813   2.0142   2.3984   2.5419  -2.2161   3.3019  416.931  151.123  316.862  145.575 100.0699 209.8338 
1 1 1  -17   14   23 o  585.858  154.779   5.7912   2.8819   6.1061   4.2800   5.5300   3.8979  608.749  196.883  581.319  187.878 27.42993 272.1418 
1 1 1  -17   14   25 o  1640.44   90.806   42.841   4.6462   46.605   5.7446   35.724   7.9004  1705.39  108.137  1464.10  175.848 241.2836 206.4367 
1 1 1  -17   14   27 o  2013.81   91.115   64.394   5.7455   71.792   7.1312   50.706   9.6996  2117.83  107.893  1744.19  180.198 373.6412 210.0289 
1 1 1  -17   14   29 o  3551.35  118.062  202.390   13.129  205.704   16.138  195.904   22.576  3558.47  144.833  3396.40  213.368 162.0708 257.8804 
1 1 1  -17   14   31 o  2732.00  104.012  119.319   8.8978  116.354   10.956  125.065   15.251  2682.02  130.453  2737.49  178.907 -55.46582 221.4179 
1 1 1  -17   14   33 o  1558.77   92.658   38.882   4.5022   38.813   5.6244   39.004   7.5115  1547.58  116.928  1529.82  159.137 17.75916 197.4762 
1 1 1  -17   14   35 f  2990.11  109.130  144.038   10.218  142.471   12.570  147.091   17.542  2950.84  136.041  2931.50  192.170 19.33936 235.4494 
1 1 1  -17   14   37 f  1167.91  121.243   22.410   4.3693   24.272   6.3280   20.713   6.0402  1187.16  175.524  1090.77  183.354 96.38965 253.8258 
1 1 1  -17   14   39 o  2847.97  107.181  131.384   9.5580  132.595   11.786  129.057   16.337  2835.85  132.725  2717.57  193.243 118.2800 234.4335 
1 1 1  -17   14   41 o  1059.56  106.925   18.462   3.4990   17.702   4.3914   19.783   5.7903  1019.68  141.341  1052.67  182.269 -32.98834 230.6494 
1 1 1  -17   14   43 o  316.718  137.044   0.1015   2.4981   2.1928   3.2285  -3.0186   3.9436  417.437  165.648  325.301  152.680 92.13669 225.2782 
1 1 1  -17   14   45 o  1982.56   99.838   65.769   6.1780   65.059   7.7114   67.042   10.323  1932.21  128.185  1877.16  177.741 55.05005 219.1423 
1 1 1  -17   14   47 o  1779.97  100.849   54.349   5.5978   52.335   6.9290   58.133   9.4980  1696.07  131.498  1684.12  183.061 11.95569 225.3954 
1 1 1  -17   14   49 o  501.794  168.386   5.5394   3.1208   2.9263   4.0352   9.4291   4.9231  412.853  176.334  596.352  210.994 -183.4987 274.9766 
1 1 1  -17   14   51 o  1374.38  135.579   37.939   5.7587   34.927   8.1821   40.896   8.1063  1069.15  249.038  1242.91  216.137 -173.7688 329.7502 
1 1 1  -17   14   53 o  405.156  169.774   4.3757   3.6230   6.0593   5.3921   2.9902   4.8917  425.720  191.814  375.334  174.122 50.38666 259.0580 
1 1 1  -17   14   55 o  1187.05  168.906   36.961   6.1011   36.961   6.1011   0.0000   0.0000  1187.05  168.906  ?   ?  0.000000 168.9065 
1 1 1  -17   15    2 o  759.932  116.407   9.3916   2.6817   12.004   3.2069   3.3172   4.8903  859.607  122.618  534.397  206.252 325.2101 239.9482 
1 1 1  -17   15    4 o  1270.52   92.628   25.669   3.6597   24.757   4.4216   27.654   6.5210  1242.43  114.959  1298.60  164.029 -56.16663 200.3026 
1 1 1  -17   15    6 f  567.925  157.038   5.3644   2.8863   5.3644   2.8863   0.0000   0.0000  567.925  157.038  ?   ?  0.000000 157.0383 
1 1 1  -17   15    8 o  2188.40  168.988   78.073   11.490   78.073   11.490   0.0000   0.0000  2188.40  168.988  ?   ?  0.000000 168.9875 
1 1 1  -17   15   10 o  592.445  187.896   5.7012   3.9127   5.7012   3.9127   0.0000   0.0000  592.445  187.896  ?   ?  0.000000 187.8964 
1 1 1  -17   15   12 o  1243.57  112.050   24.803   4.3163   24.803   4.3163   0.0000   0.0000  1243.57  112.050  ?   ?  0.000000 112.0497 
1 1 1  -17   15   14 o  2096.60  115.466   70.274   7.5511   70.274   7.5511   0.0000   0.0000  2096.60  115.466  ?   ?  0.000000 115.4663 
1 1 1  -17   15   16 o  1566.81  111.537   39.291   5.4364   39.291   5.4364   0.0000   0.0000  1566.81  111.537  ?   ?  0.000000 111.5369 
1 1 1  -17   15   18 o  350.454  147.952   0.2937   2.7849   0.2937   2.7849   0.0000   0.0000  350.454  147.952  ?   ?  0.000000 147.9518 
1 1 1  -17   15   20 o  1524.45  160.709   38.097   7.5558   38.097   7.5558   0.0000   0.0000  1524.45  160.709  ?   ?  0.000000 160.7094 
1 1 1  -17   15   22 o  1238.72  171.959   25.441   6.4899   0.0000   0.0000   25.441   6.4899  ?   ?   1238.72  171.959 0.000000 171.9594 
1 1 1  -17   15   24 o  348.012  142.632   0.7429   2.4804  -0.6817   3.4563   2.2556   3.5616  361.319  158.678  452.278  175.609 -90.95880 236.6797 
1 1 1  -17   15   26 f  876.962  135.205   12.630   3.5934   12.935   5.1950   12.351   4.9756  868.925  195.648  849.923  191.548 19.00177 273.8040 
1 1 1  -17   15   28 o  3177.19  136.152  162.704   13.545  173.125   19.180  152.334   19.132  3228.70  190.556  3015.68  203.806 213.0266 279.0135 
1 1 1  -17   15   30 o  1089.45  123.445   19.300   4.1368   17.019   5.7005   21.837   6.0126  997.916  189.361  1140.31  173.895 -142.3973 257.0930 
1 1 1  -17   15   32 o  2283.81  120.879   84.195   8.6135   85.243   12.202   83.154   12.161  2262.50  173.555  2233.10  175.327 29.39282 246.7001 
1 1 1  -17   15   34 o  1669.27  116.046   45.088   6.0279   46.385   8.5728   43.819   8.4775  1665.33  166.638  1616.10  170.079 49.22339 238.1076 
1 1 1  -17   15   36 o  1302.82  120.400   27.696   4.8561   25.230   6.8983   30.119   6.8372  1208.79  188.393  1335.09  167.219 -126.2944 251.9011 
1 1 1  -17   15   38 o  2550.76  185.956  111.699   14.750  111.699   14.750   0.0000   0.0000  2550.76  185.956  ?   ?  0.000000 185.9555 
1 1 1  -17   15   40 o  2272.29  124.517   85.116   8.8258   91.572   12.430   78.553   12.533  2303.79  173.592  2112.07  191.598 191.7166 258.5419 
1 1 1  -17   15   42 o  2595.43  131.348  113.536   10.640  111.715   15.010  115.376   15.084  2470.93  195.600  2516.05  192.932 -45.12671 274.7399 
1 1 1  -17   15   44 o  2351.56  131.838   95.802   9.6685   85.301   13.739  106.105   13.609  2060.81  216.128  2368.55  184.960 -307.7419 284.4666 
1 1 1  -17   15   46 o  490.437  182.376   4.6588   3.7404   10.553   5.0799  -2.3207   5.5277  682.877  213.768  379.807  179.039 303.0689 278.8400 
1 1 1  -17   15   48 o  1728.78  130.483   55.251   7.0113   48.071   9.7783   62.849   10.058  1414.69  228.532  1703.04  191.971 -288.3417 298.4622 
1 1 1  -17   15   50 o  1575.78  136.713   48.592   6.6787   40.818   9.1147   57.604   9.8144  1196.65  251.252  1528.21  210.703 -331.5583 327.9075 
1 1 1  -17   15   52 f  1119.80  158.271   27.722   5.3949   21.393   7.2760   35.451   8.0402  732.814  256.747  1061.36  246.627 -328.5449 356.0114 
1 1 1  -17   15   54 o  620.591  246.874   20.247   7.1875   20.247   7.1875   0.0000   0.0000  620.591  246.874  ?   ?  0.000000 246.8743 
1 1 1  -17   16    1 o  1039.95  104.619   17.300   3.3605   24.077   3.9679   0.1032   6.3202  1228.65  104.116  510.528  219.434 718.1183 242.8811 
1 1 1  -17   16    3 o  832.345  146.992   11.410   3.6909   13.899   5.1612   8.8033   5.2804  909.523  187.459  724.987  216.242 184.5361 286.1840 
1 1 1  -17   16    5 o  861.666  142.520   12.179   3.7109   13.291   5.1303   10.959   5.3742  888.038  190.230  802.430  211.062 85.60767 284.1384 
1 1 1  -17   16    7 o  495.667  183.091   3.2326   3.7573   3.2326   3.7573   0.0000   0.0000  495.667  183.091  ?   ?  0.000000 183.0914 
1 1 1  -17   16    9 o  859.212  110.548   11.904   2.9052   11.925   3.5046   11.857   5.1945  853.981  135.591  835.263  201.038 18.71814 242.4895 
1 1 1  -17   16   11 o  1218.55  119.999   23.851   4.5192   20.185   6.2725   27.808   6.5168  1099.22  189.055  1303.55  163.237 -204.3279 249.7763 
1 1 1  -17   16   13 o  675.109  155.851   7.6190   3.2278   6.6462   4.2966   8.8794   4.8906  635.723  196.202  724.961  205.838 -89.23779 284.3669 
1 1 1  -17   16   15 o  1177.88  174.301   22.927   6.2345   22.927   6.2345   0.0000   0.0000  1177.88  174.301  ?   ?  0.000000 174.3008 
1 1 1  -17   16   17 o  1086.83  181.297   19.663   5.9525   19.663   5.9525   0.0000   0.0000  1086.83  181.297  ?   ?  0.000000 181.2973 
1 1 1  -17   16   19 o  927.970  183.501   14.457   5.1431   14.457   5.1431   0.0000   0.0000  927.970  183.501  ?   ?  0.000000 183.5006 
1 1 1  -17   16   23 o  1788.46  163.287   52.118   9.0434   52.118   9.0434   0.0000   0.0000  1788.46  163.287  ?   ?  0.000000 163.2867 
1 1 1  -17   16   25 o  1693.16  162.125   46.808   8.4903   46.808   8.4903   0.0000   0.0000  1693.16  162.125  ?   ?  0.000000 162.1250 
1 1 1  -17   16   27 o  1642.59  162.938   44.212   8.2699   44.212   8.2699   0.0000   0.0000  1642.59  162.938  ?   ?  0.000000 162.9381 
1 1 1  -17   16   29 o  3963.35  232.168  267.398   28.687  267.398   28.687   0.0000   0.0000  3963.35  232.168  ?   ?  0.000000 232.1678 
1 1 1  -17   16   31 o  3179.48  201.443  169.891   19.951  169.891   19.951   0.0000   0.0000  3179.48  201.443  ?   ?  0.000000 201.4428 
1 1 1  -17   16   33 o  2629.35  126.933  111.549   10.451  117.780   14.775  105.310   14.783  2658.65  178.521  2503.45  190.006 155.2063 260.7144 
1 1 1  -17   16   35 o  1312.26  183.400   29.271   7.3300   0.0000   0.0000   29.271   7.3300  ?   ?   1312.26  183.400 0.000000 183.4003 
1 1 1  -17   16   37 o  2741.54  129.520  122.382   11.119  125.144   15.739  119.631   15.709  2712.14  186.458  2646.54  190.849 65.59839 266.8142 
1 1 1  -17   16   39 o  419.049  168.873   1.7244   3.4088   3.7115   4.6378  -0.6104   5.0272  520.352  200.850  427.598  189.417 92.75467 276.0789 
1 1 1  -17   16   41 o  2542.01  131.161  108.272   10.404  106.963   14.717  109.581   14.711  2433.22  194.792  2467.71  191.897 -34.49487 273.4380 
1 1 1  -17   16   43 o  1419.85  132.171   34.757   5.8087   36.544   8.1658   32.926   8.2645  1388.65  193.017  1296.89  210.751 91.75671 285.7827 
1 1 1  -17   16   45 o  1511.48  130.739   40.337   6.1267   42.041   8.5040   38.497   8.8345  1455.84  191.169  1357.29  215.036 98.55310 287.7263 
1 1 1  -17   16   47 o  485.644  187.670   4.7303   4.0527   5.1734   5.3714   4.1448   6.1750  503.950  208.566  488.422  213.354 15.52759 298.3614 
1 1 1  -17   16   49 o  907.803  184.593   18.083   5.0684   21.820   7.0467   14.078   7.2954  888.078  245.297  654.364  252.095 233.7140 351.7422 
1 1 1  -17   16   51 o  844.242  193.963   17.355   5.0197   15.196   6.5401   20.450   7.8307  661.002  241.974  722.036  264.705 -61.03418 358.6366 
1 1 1  -17   16   53 o  1476.98  276.838   78.809   12.333   78.809   12.333   0.0000   0.0000  1476.98  276.838  ?   ?  0.000000 276.8384 
1 1 1  -17   17    2 o  406.011  160.624   1.4981   3.0271   9.3239   4.3045  -6.1593   4.2579  745.949  185.153  310.889  149.463 435.0597 237.9513 
1 1 1  -17   17    4 o  453.403  168.887   2.5707   3.2102   5.7373   4.4526  -0.8570   4.6326  606.535  201.074  420.685  184.252 185.8503 272.7262 
1 1 1  -17   17    6 o  600.010  209.559   5.3270   4.8455   0.0000   0.0000   5.3270   4.8455  ?   ?   600.010  209.559 0.000000 209.5594 
1 1 1  -17   17    8 o  596.017  170.792   5.8551   3.3514   3.9400   4.6395   7.9450   4.8464  548.860  203.311  693.145  207.260 -144.2853 290.3311 
1 1 1  -17   17   10 o  362.927  152.357   0.3723   2.9265   0.3281   4.0365   0.4213   4.2490  419.595  177.684  432.090  182.601 -12.49509 254.7837 
1 1 1  -17   17   12 o  621.117  166.962   6.4123   3.3172   3.2932   4.6537   9.6341   4.7296  528.915  201.934  756.616  197.515 -227.7017 282.4706 
1 1 1  -17   17   14 o  862.016  190.687   12.480   5.0106   12.480   5.0106   0.0000   0.0000  862.016  190.687  ?   ?  0.000000 190.6872 
1 1 1  -17   17   16 o  747.310  154.020   9.2576   3.4842   7.6137   4.6058   11.457   5.3275  678.257  201.879  822.754  206.977 -144.4970 289.1277 
1 1 1  -17   17   18 o  566.423  201.871   4.5956   4.5144   4.5956   4.5144   0.0000   0.0000  566.423  201.871  ?   ?  0.000000 201.8707 
1 1 1  -17   17   20 o  845.167  150.447   11.765   3.8355   9.6267   5.3177   14.083   5.5375  755.641  214.667  913.442  199.215 -157.8008 292.8628 
1 1 1  -17   17   22 o  921.930  141.072   13.887   3.9429   15.931   5.3512   11.459   5.8320  977.112  181.584  819.623  221.830 157.4895 286.6725 
1 1 1  -17   17   24 o  1619.66  168.421   42.843   8.4166   42.843   8.4166   0.0000   0.0000  1619.66  168.421  ?   ?  0.000000 168.4205 
1 1 1  -17   17   26 o  1844.94  169.960   55.670   9.7081   55.670   9.7081   0.0000   0.0000  1844.94  169.960  ?   ?  0.000000 169.9595 
1 1 1  -17   17   28 o  1036.05  197.030   18.214   6.1583   18.214   6.1583   0.0000   0.0000  1036.05  197.030  ?   ?  0.000000 197.0304 
1 1 1  -17   17   30 o  1225.76  182.815   25.169   6.8021   25.169   6.8021   0.0000   0.0000  1225.76  182.815  ?   ?  0.000000 182.8147 
1 1 1  -17   17   32 o  1455.82  170.916   35.187   7.6430   35.187   7.6430   0.0000   0.0000  1455.82  170.916  ?   ?  0.000000 170.9163 
1 1 1  -17   17   34 o  384.922  170.992  -1.0863   4.1248  -1.0863   4.1248   0.0000   0.0000  384.922  170.992  ?   ?  0.000000 170.9918 
1 1 1  -17   17   36 o  1833.22  178.343   56.625   10.108   56.625   10.108   0.0000   0.0000  1833.22  178.343  ?   ?  0.000000 178.3430 
1 1 1  -17   17   38 o  1308.99  187.660   29.788   7.4717   29.788   7.4717   0.0000   0.0000  1308.99  187.660  ?   ?  0.000000 187.6604 
1 1 1  -17   17   40 o  542.668  211.367   4.3336   5.1721   4.3336   5.1721   0.0000   0.0000  542.668  211.367  ?   ?  0.000000 211.3665 
1 1 1  -17   17   42 o  389.684  176.994  -1.1836   4.7015  -1.1836   4.7015   0.0000   0.0000  389.684  176.994  ?   ?  0.000000 176.9943 
1 1 1  -17   17   44 o  926.369  239.024   18.895   6.9796   18.895   6.9796   0.0000   0.0000  926.369  239.024  ?   ?  0.000000 239.0244 
1 1 1  -17   17   46 o  1102.76  228.455   27.179   7.6292   27.179   7.6292   0.0000   0.0000  1102.76  228.455  ?   ?  0.000000 228.4554 
1 1 1  -17   17   48 f  525.200  220.789   6.4826   6.1597   6.4826   6.1597   0.0000   0.0000  525.200  220.789  ?   ?  0.000000 220.7888 
1 1 1  -17   17   50 o  264.297  130.354  -5.5898   3.8735  -8.1480   4.7668  -0.6174   6.6459  275.014  137.146  396.079  189.441 -121.0649 233.8742 
1 1 1  -17   17   52 o  668.114  252.622   17.833   7.2387   17.833   7.2387   0.0000   0.0000  668.114  252.622  ?   ?  0.000000 252.6221 
1 1 1  -17   18    1 o  516.190  179.168   3.8721   3.5393  -0.8193   4.9387   8.8257   5.0747  437.215  190.899  730.002  210.453 -292.7865 284.1354 
1 1 1  -17   18    3 o  275.342  129.984  -3.2975   2.9331   2.3247   4.3091  -8.1510   4.0037  489.028  192.220  273.753  134.529 215.2750 234.6204 
1 1 1  -17   18    5 o  1358.73  122.291   29.461   5.1471   29.269   7.3864   29.643   7.1765  1339.53  180.712  1350.20  173.779 -10.66821 250.7109 
1 1 1  -17   18    7 o  349.538  151.782  -0.4313   3.0861  -2.7676   4.3683   1.8967   4.3605  370.153  169.080  478.341  191.621 -108.1881 255.5513 
1 1 1  -17   18    9 o  843.575  210.802   11.968   5.5525   11.968   5.5525   0.0000   0.0000  843.575  210.802  ?   ?  0.000000 210.8020 
1 1 1  -17   18   11 o  305.560  140.383  -2.2139   3.0706  -0.3452   4.0397  -4.7711   4.7256  403.880  174.516  355.693  167.005 48.18723 241.5502 
1 1 1  -17   18   13 o  861.033  206.848   12.472   5.5071   12.472   5.5071   0.0000   0.0000  861.033  206.848  ?   ?  0.000000 206.8481 
1 1 1  -17   18   15 o  1895.81  164.760   57.956   9.6833   57.956   9.6833   0.0000   0.0000  1895.81  164.760  ?   ?  0.000000 164.7598 
1 1 1  -17   18   17 o  591.636  178.787   5.6889   3.5923   6.6864   4.7939   4.4115   5.4249  647.264  208.268  586.790  219.354 60.47333 302.4762 
1 1 1  -17   18   19 o  1970.81  117.711   61.795   7.2309   59.340   9.9985   64.488   10.470  1915.21  168.438  1996.90  169.029 -81.69568 238.6256 
1 1 1  -17   18   21 o  476.436  171.493   3.1231   3.2656   1.8545   4.2319   4.9906   5.1346  470.103  188.612  595.201  214.930 -125.0977 285.9535 
1 1 1  -17   18   23 o  455.137  187.025   1.2768   4.2786   1.2768   4.2786   0.0000   0.0000  455.137  187.025  ?   ?  0.000000 187.0252 
1 1 1  -17   18   25 o  1631.25  121.928   42.591   6.1829   40.965   8.6372   44.301   8.8546  1580.51  177.601  1645.53  174.512 -65.01672 248.9917 
1 1 1  -17   18   27 o  3172.65  137.972  161.293   13.707  158.264   19.351  164.344   19.418  3097.92  200.560  3159.66  197.251 -61.73950 281.3045 
1 1 1  -17   18   29 o  1849.45  121.160   54.818   6.9777   64.051   9.6800   44.832   10.067  1984.68  157.047  1638.75  200.365 345.9357 254.5782 
1 1 1  -17   18   31 o  2387.56  125.278   91.507   9.3331   91.754   13.113   91.254   13.287  2361.08  178.691  2352.61  181.774 8.467285 254.8967 
1 1 1  -17   18   33 o  3041.41  198.087  154.672   18.762  154.672   18.762   0.0000   0.0000  3041.41  198.087  ?   ?  0.000000 198.0872 
1 1 1  -17   18   35 o  2255.82  177.085   85.013   12.408   85.013   12.408   0.0000   0.0000  2255.82  177.085  ?   ?  0.000000 177.0852 
1 1 1  -17   18   37 o  3186.88  210.166  177.414   20.855  177.414   20.855   0.0000   0.0000  3186.88  210.166  ?   ?  0.000000 210.1659 
1 1 1  -17   18   39 o  1458.91  187.921   37.688   8.3851   37.688   8.3851   0.0000   0.0000  1458.91  187.921  ?   ?  0.000000 187.9214 
1 1 1  -17   18   41 o  758.409  241.942   11.779   6.4801   11.779   6.4801   0.0000   0.0000  758.409  241.942  ?   ?  0.000000 241.9417 
1 1 1  -17   18   43 o  798.341  235.902   13.693   6.3066   13.693   6.3066   0.0000   0.0000  798.341  235.902  ?   ?  0.000000 235.9017 
1 1 1  -17   18   45 o  491.638  208.578   3.5186   5.5786   3.5186   5.5786   0.0000   0.0000  491.638  208.578  ?   ?  0.000000 208.5781 
1 1 1  -17   18   47 o  1960.94  214.984   84.186   12.984   84.186   12.984   0.0000   0.0000  1960.94  214.984  ?   ?  0.000000 214.9837 
1 1 1  -17   18   49 f  544.409  226.864   7.8406   6.4180   7.8406   6.4180   0.0000   0.0000  544.409  226.864  ?   ?  0.000000 226.8640 
1 1 1  -17   18   51 o  1083.96  265.965   36.085   8.9595   36.085   8.9595   0.0000   0.0000  1083.96  265.965  ?   ?  0.000000 265.9648 
1 1 1  -17   19    2 o  649.238  224.400   6.2557   5.5491   6.2557   5.5491   0.0000   0.0000  649.238  224.400  ?   ?  0.000000 224.4001 
1 1 1  -17   19    4 o  1307.71  131.621   27.348   5.3163   30.712   7.4852   23.923   7.5520  1375.37  177.983  1203.07  207.997 172.2925 273.7527 
1 1 1  -17   19    6 o  946.297  225.624   15.056   6.5912   15.056   6.5912   0.0000   0.0000  946.297  225.624  ?   ?  0.000000 225.6242 
1 1 1  -17   19    8 o  1121.80  138.504   20.251   4.7618   24.606   6.6993   15.804   6.7697  1228.09  179.514  969.171  227.053 258.9179 289.4443 
1 1 1  -17   19   10 o  871.279  155.070   12.430   4.0755   15.264   5.8051   9.6762   5.7231  957.195  200.125  765.000  224.348 192.1949 300.6359 
1 1 1  -17   19   12 o  452.114  190.610   0.4849   4.6122   0.4849   4.6122   0.0000   0.0000  452.114  190.610  ?   ?  0.000000 190.6096 
1 1 1  -17   19   14 o  716.329  218.195   8.3903   5.3349   8.3903   5.3349   0.0000   0.0000  716.329  218.195  ?   ?  0.000000 218.1951 
1 1 1  -17   19   16 o  1196.25  135.491   23.005   4.9857   24.730   6.7195   20.891   7.4365  1229.31  179.887  1116.25  220.583 113.0645 284.6328 
1 1 1  -17   19   18 o  1681.95  120.872   45.052   6.3234   50.159   8.8572   39.742   9.0307  1763.74  162.195  1559.97  188.716 203.7704 248.8389 
1 1 1  -17   19   20 o  1868.31  120.411   55.570   7.0067   55.299   9.6126   55.877   10.235  1849.48  167.815  1855.44  178.356 -5.968872 244.8930 
1 1 1  -17   19   22 o  814.632  172.818   11.062   4.2717   14.160   5.7248   7.1697   6.4163  916.264  204.699  689.195  241.122 227.0695 316.2935 
1 1 1  -17   19   24 o  1067.55  148.949   18.567   4.8434   17.635   6.6339   19.631   7.0877  1020.61  214.401  1077.09  217.643 -56.47650 305.5094 
1 1 1  -17   19   26 o  873.813  165.179   12.678   4.3539   10.727   5.7603   15.277   6.6498  794.598  222.617  944.018  227.616 -149.4207 318.3825 
1 1 1  -17   19   28 o  2000.06  176.743   65.343   10.955   65.343   10.955   0.0000   0.0000  2000.06  176.743  ?   ?  0.000000 176.7434 
1 1 1  -17   19   30 o  872.471  176.919   12.801   4.6679   12.643   6.1760   13.011   7.1290  855.268  226.883  865.208  249.440 -9.940247 337.1890 
1 1 1  -17   19   32 o  807.867  175.151   11.061   4.3029   11.712   5.6056   10.126   6.7138  821.728  215.278  769.951  246.335 51.77728 327.1480 
1 1 1  -17   19   34 o  1654.87  180.646   45.899   9.2087   45.899   9.2087   0.0000   0.0000  1654.87  180.646  ?   ?  0.000000 180.6461 
1 1 1  -17   19   36 o  683.440  200.441   8.2382   4.5682   0.6096   5.9526   19.168   7.1252  491.307  212.069  1028.04  227.377 -536.7350 310.9234 
1 1 1  -17   19   38 o  2403.18  132.502   95.676   9.9322  100.239   13.793   90.761   14.314  2398.88  185.051  2257.06  204.768 141.8179 275.9958 
1 1 1  -17   19   40 o  873.777  189.850   14.057   5.0458   18.390   6.5939   7.9365   7.8379  978.620  220.476  663.248  259.680 315.3719 340.6516 
1 1 1  -17   19   42 f  1582.57  137.766   43.148   6.7588   33.262   9.0914   55.362   10.106  1285.34  234.532  1726.39  190.092 -441.0454 301.8944 
1 1 1  -17   19   44 o  398.708  176.859   0.2638   4.3972   0.1649   5.5295   0.4339   7.2523  432.929  194.729  480.860  218.953 -47.93048 293.0180 
1 1 1  -17   19   46 o  641.108  243.883   9.9142   6.7725   9.9142   6.7725   0.0000   0.0000  641.108  243.883  ?   ?  0.000000 243.8827 
1 1 1  -17   19   48 o  537.521  226.438   6.5538   6.5007   6.5538   6.5007   0.0000   0.0000  537.521  226.438  ?   ?  0.000000 226.4376 
1 1 1  -17   19   50 o  371.178  178.410  -2.4410   6.0587  -2.4410   6.0587   0.0000   0.0000  371.178  178.410  ?   ?  0.000000 178.4099 
1 1 1  -17   20    1 o  459.776  202.707  -1.4548   5.6909   0.0000   0.0000  -1.4548   5.6909  ?   ?   459.776  202.707 0.000000 202.7071 
1 1 1  -17   20    3 o  1421.01  132.975   32.230   5.8480   39.915   8.2079   24.307   8.3342  1574.25  169.165  1208.37  228.639 365.8759 284.4160 
1 1 1  -17   20    5 o  1066.26  217.498   18.942   7.0156   18.942   7.0156   0.0000   0.0000  1066.26  217.498  ?   ?  0.000000 217.4979 
1 1 1  -17   20    7 o  479.339  184.289   2.4995   3.8929   0.2552   5.3818   4.9623   5.6379  481.259  204.548  612.293  224.584 -131.0332 303.7730 
1 1 1  -17   20    9 o  1159.37  203.943   22.190   7.1334   22.190   7.1334   0.0000   0.0000  1159.37  203.943  ?   ?  0.000000 203.9435 
1 1 1  -17   20   11 o  772.472  229.118   9.8297   5.9403   9.8297   5.9403   0.0000   0.0000  772.472  229.118  ?   ?  0.000000 229.1179 
1 1 1  -17   20   13 o  667.603  192.821   7.3177   4.2565   12.535   6.0866   2.3239   5.9547  864.135  223.330  550.884  222.777 313.2511 315.4456 
1 1 1  -17   20   15 o  1130.85  145.172   20.639   5.0218   17.716   6.8187   24.103   7.4236  1028.22  218.521  1208.00  203.493 -179.7766 298.5983 
1 1 1  -17   20   17 o  287.856  141.161  -8.5248   4.3353  -8.5248   4.3353   0.0000   0.0000  287.856  141.161  ?   ?  0.000000 141.1615 
1 1 1  -17   20   19 o  903.440  233.826   13.816   6.6659   0.0000   0.0000   13.816   6.6659  ?   ?   903.440  233.826 0.000000 233.8264 
1 1 1  -17   20   21 o  1778.49  127.138   50.430   7.0335   52.469   9.6406   48.110   10.284  1800.73  173.110  1716.19  194.830 84.54590 260.6260 
1 1 1  -17   20   23 o  865.230  225.526   12.689   6.1723   12.689   6.1723   0.0000   0.0000  865.230  225.526  ?   ?  0.000000 225.5256 
1 1 1  -17   20   25 o  2015.59  121.029   64.702   7.6032   70.414   11.024   59.520   10.500  2086.16  170.247  1914.32  177.180 171.8353 245.7167 
1 1 1  -17   20   27 o  821.405  180.968   11.319   4.5289   12.609   6.3704  10.0000   6.4398  858.987  231.575  774.260  240.410 84.72687 333.8024 
1 1 1  -17   20   29 o  1219.19  204.843   24.985   7.5427   24.985   7.5427   0.0000   0.0000  1219.19  204.843  ?   ?  0.000000 204.8429 
1 1 1  -17   20   31 o  510.374  196.944   3.0523   4.4582  -1.3680   5.7467   9.7335   7.0652  456.067  202.250  762.894  253.305 -306.8274 324.1423 
1 1 1  -17   20   33 o  620.002  205.170   6.3184   4.6366   2.3327   5.9904   12.274   7.3228  537.339  221.108  829.919  256.144 -292.5803 338.3764 
1 1 1  -17   20   35 o  508.071  212.904   1.7431   5.6978   1.7431   5.6978   0.0000   0.0000  508.071  212.904  ?   ?  0.000000 212.9041 
1 1 1  -17   20   37 o  513.716  199.898   3.4960   4.6227  -0.3232   5.8876   9.6347   7.4644  465.716  205.709  727.612  259.551 -261.8958 331.1837 
1 1 1  -17   20   39 o  1460.31  209.366   39.068   9.2995   39.068   9.2995   0.0000   0.0000  1460.31  209.366  ?   ?  0.000000 209.3657 
1 1 1  -17   20   41 o  1561.38  142.823   41.848   6.9054   41.185   9.2057   42.701   10.442  1485.94  203.175  1477.52  233.457 8.423462 309.4868 
1 1 1  -17   20   43 o  1260.02  163.059   28.651   6.2825   25.123   8.0679   34.085   10.014  1096.11  241.575  1252.75  263.621 -156.6377 357.5679 
1 1 1  -17   20   45 o  689.375  227.054   10.419   5.6809   11.435   7.1923   8.7341   9.2631  695.806  253.897  630.057  268.086 65.74908 369.2340 
1 1 1  -17   20   47 o  649.405  227.577   9.9230   5.7168  -0.0001   7.2500   26.236   9.2955  454.565  211.253  980.735  285.436 -526.1700 355.1082 
1 1 1  -17   20   49 o  912.282  222.889   19.776   6.3127   23.450   7.9603   13.550   10.362  919.982  263.094  620.628  273.582 299.3537 379.5596 
1 1 1  -17   21    2 o  1034.33  230.523   17.893   7.2753   0.0000   0.0000   17.893   7.2753  ?   ?   1034.33  230.523 0.000000 230.5231 
1 1 1  -17   21    4 o  727.279  248.703   7.9748   6.8093   0.0000   0.0000   7.9748   6.8093  ?   ?   727.279  248.703 0.000000 248.7030 
1 1 1  -17   21    8 o  423.376  192.135  -3.0881   5.5254  -3.0881   5.5254   0.0000   0.0000  423.376  192.135  ?   ?  0.000000 192.1353 
1 1 1  -17   21   10 o  482.070  190.446   2.1229   4.2500   2.2834   5.8780   1.9471   6.1521  548.391  221.489  550.281  224.977 -1.888977 315.7086 
1 1 1  -17   21   12 o  733.147  238.517   8.4822   6.2762   8.4822   6.2762   0.0000   0.0000  733.147  238.517  ?   ?  0.000000 238.5174 
1 1 1  -17   21   14 o  1786.12  129.507   50.733   7.1939   54.319   10.187   47.166   10.161  1835.80  179.507  1705.38  193.714 130.4182 264.0983 
1 1 1  -17   21   16 o  669.297  197.681   7.3161   4.4295   6.6520   6.0173   8.1016   6.5443  671.335  233.581  724.644  243.834 -53.30884 337.6619 
1 1 1  -17   21   18 o  2005.50  185.594   64.967   11.523   0.0000   0.0000   64.967   11.523  ?   ?   2005.50  185.594 0.000000 185.5944 
1 1 1  -17   21   20 o  657.995  204.343   6.9768   4.6523   8.4249   6.0767   4.9260   7.2317  726.485  234.559  652.418  251.091 74.06659 343.6053 
1 1 1  -17   21   22 o  1056.22  147.680   18.085   4.7507   18.600   6.9953   17.645   6.4720  1052.54  219.366  1027.40  208.309 25.13904 302.5124 
1 1 1  -17   21   24 o  1820.97  123.631   52.819   7.0075   59.630   10.110   46.521   9.7215  1921.34  169.798  1689.61  186.881 231.7314 252.4989 
1 1 1  -17   21   26 o  2196.66  123.981   76.891   8.4929   70.417   11.930   83.544   12.093  2079.47  185.157  2272.40  171.216 -192.9338 252.1866 
1 1 1  -17   21   28 o  2110.66  182.082   72.820   11.916   72.820   11.916   0.0000   0.0000  2110.66  182.082  ?   ?  0.000000 182.0818 
1 1 1  -17   21   30 o  2623.21  130.758  110.298   10.740   96.153   15.267  124.158   15.112  2401.77  204.969  2752.25  176.284 -350.4836 270.3482 
1 1 1  -17   21   32 o  489.983  211.765   0.1614   5.9507   0.1614   5.9507   0.0000   0.0000  489.983  211.765  ?   ?  0.000000 211.7652 
1 1 1  -17   21   34 o  1676.00  137.294   46.051   7.1419   40.345   9.6343   53.012   10.641  1525.61  207.025  1759.35  196.517 -233.7397 285.4445 
1 1 1  -17   21   36 o  987.277  188.634   17.126   5.6188   14.692   7.2468   20.795   8.8973  880.967  250.710  1035.60  271.176 -154.6307 369.3127 
1 1 1  -17   21   38 o  1361.42  158.445   31.681   6.6281   33.056   8.8819   29.955   9.9570  1343.21  218.701  1235.77  265.254 107.4329 343.7872 
1 1 1  -17   21   40 f  1312.04  219.300   32.381   8.6916   32.381   8.6916   0.0000   0.0000  1312.04  219.300  ?   ?  0.000000 219.3004 
1 1 1  -17   21   42 o  726.713  222.525   10.554   5.5392   16.217   6.9998   1.0675   9.0600  882.825  244.721  548.440  247.730 334.3842 348.2215 
1 1 1  -17   21   44 o  472.603  209.797   1.1011   6.1989   1.1011   6.1989   0.0000   0.0000  472.603  209.797  ?   ?  0.000000 209.7968 
1 1 1  -17   22    1 o  649.249  222.289   6.2494   5.4398   6.3845   7.4456   6.0948   7.9669  698.667  257.806  704.047  265.306 -5.380005 369.9339 
1 1 1  -17   22    3 o  411.328  185.427  -2.5013   5.0467  -3.0155   7.0005  -1.9450   7.2819  489.800  219.803  518.437  228.896 -28.63657 317.3435 
1 1 1  -17   22    5 o  570.205  217.809   3.6731   5.4159   9.4005   7.8751  -1.4666   7.4601  786.458  267.466  533.287  233.687 253.1708 355.1729 
1 1 1  -17   22    7 o  1115.18  247.054   20.822   8.3997   0.0000   0.0000   20.822   8.3997  ?   ?   1115.18  247.054 0.000000 247.0536 
1 1 1  -17   22   11 o  727.401  263.090   7.3166   7.6979   0.0000   0.0000   7.3166   7.6979  ?   ?   727.401  263.090 0.000000 263.0899 
1 1 1  -17   22   13 o  954.018  254.294   15.275   7.7345   0.0000   0.0000   15.275   7.7345  ?   ?   954.018  254.294 0.000000 254.2945 
1 1 1  -17   22   15 o  1605.66  136.674   41.083   6.8062   44.582   9.5093   37.409   9.7459  1661.26  185.998  1512.92  211.509 148.3412 281.6584 
1 1 1  -17   22   19 o  1128.42  164.220   20.685   5.6323   20.277   7.6924   21.157   8.2693  1100.02  230.696  1121.14  242.601 -21.11621 334.7771 
1 1 1  -17   22   21 o  1875.17  131.574   55.994   7.6766   58.072   10.603   53.705   11.129  1895.94  180.792  1816.74  198.882 79.20105 268.7747 
1 1 1  -17   22   23 o  672.104  200.161   7.4116   4.5268   12.904   6.4021   1.9206   6.4015  873.657  230.637  555.532  228.580 318.1253 324.7185 
1 1 1  -17   22   25 o  1247.50  142.771   25.132   5.4766   24.265   7.9697   25.907   7.5384  1201.55  219.933  1249.62  199.354 -48.07874 296.8374 
1 1 1  -17   22   27 o  810.518  191.686   11.115   4.7885   5.5585   6.9009   16.275   6.6500  651.805  246.608  974.861  222.727 -323.0560 332.2995 
1 1 1  -17   22   29 o  1115.65  168.666   20.644   5.7082   18.558   9.3633   21.878   7.2012  1016.39  283.497  1132.69  210.796 -116.2977 353.2780 
1 1 1  -17   22   31 o  1029.93  162.556   17.705   5.0685   16.670   7.4860   18.581   6.8872  965.789  246.664  1031.76  219.902 -65.97498 330.4544 
1 1 1  -17   22   33 o  1015.35  173.882   17.521   5.3294   15.265   7.7015   19.593   7.3825  911.609  258.119  1046.44  231.446 -134.8326 346.6881 
1 1 1  -17   22   35 o  791.340  200.899   11.147   4.9869   11.947   7.1944   10.406   6.9188  804.504  254.747  758.697  250.607 45.80676 357.3510 
1 1 1  -17   22   37 o  538.614  205.220   4.1648   4.8002   2.1616   6.7615   6.2003   6.8159  541.455  229.666  633.066  243.731 -91.61121 334.8896 
1 1 1  -17   22   39 o  681.618  228.022   8.6074   5.7227   17.288   7.3143  -5.0928   9.1889  940.596  245.665  497.291  233.294 443.3054 338.7882 
1 1 1  -17   22   41 o  402.973  190.482  -4.8819   6.3362  -4.8819   6.3362   0.0000   0.0000  402.973  190.482  ?   ?  0.000000 190.4824 
1 1 1  -17   22   43 o  472.670  205.549   1.4243   5.6762  -1.1548   6.8427   7.1144   10.164  462.003  211.262  648.094  278.408 -186.0914 349.4893 
1 1 1  -17   22   45 o  727.901  244.268   11.808   6.5674   7.6581   8.2285   19.090   10.900  619.901  257.478  828.864  310.723 -208.9632 403.5395 
1 1 1  -17   23    2 o  1673.94  164.400   44.832   8.5059   28.068   12.161   60.889   11.902  1286.67  306.255  1944.85  198.209 -658.1769 364.8000 
1 1 1  -17   23    4 o  528.405  226.406  -0.1321   6.6905  -7.5582   10.168   5.5386   8.8851  549.161  253.444  715.478  277.489 -166.3165 375.8105 
1 1 1  -17   23    6 f  692.653  245.217   6.8032   6.6506  -7.3543   10.282   16.986   8.7204  555.341  255.786  1007.12  270.702 -451.7761 372.4326 
1 1 1  -17   23    8 o  1150.15  195.127   21.638   6.7761   18.081   9.7338   24.983   9.4388  1038.22  288.862  1223.21  254.708 -184.9960 385.1206 
1 1 1  -17   23   12 o  1134.70  187.686   21.032   6.4354   21.237   9.2601   20.842   8.9498  1122.88  267.233  1113.29  261.233 9.588867 373.7063 
1 1 1  -17   23   14 o  566.481  244.903  -0.5822   7.9639   0.0000   0.0000  -0.5822   7.9639  ?   ?   566.481  244.903 0.000000 244.9032 
1 1 1  -17   23   20 o  1291.52  235.675   27.883   9.1797   0.0000   0.0000   27.883   9.1797  ?   ?   1291.52  235.675 0.000000 235.6750 
1 1 1  -17   23   24 o  764.123  220.285   9.8042   5.5600   11.031   7.7740   8.5191   7.9553  818.151  265.421  752.672  268.009 65.47974 377.1958 
1 1 1  -17   23   26 o  338.685  160.698  -5.3504   4.5915  -8.3273   6.0066  -1.1657   7.1215  370.093  177.824  516.677  227.317 -146.5833 288.6078 
1 1 1  -17   23   28 o  506.818  210.530   1.5024   5.5021  -8.0144   8.7794   7.6579   7.0608  481.778  226.661  705.923  252.370 -224.1452 339.2135 
1 1 1  -17   23   30 o  1204.19  176.009   24.236   6.4407   33.937   10.182   17.765   8.3160  1394.00  242.036  993.730  263.111 400.2684 357.5034 
1 1 1  -17   23   32 o  919.381  273.160   15.504   8.4381   15.504   8.4381   0.0000   0.0000  919.381  273.160  ?   ?  0.000000 273.1598 
1 1 1  -17   23   34 o  904.198  193.025   14.270   5.2987   15.714   7.9690   13.125   7.0941  918.534  263.411  846.586  250.208 71.94788 363.3036 
1 1 1  -17   23   36 o  526.078  206.630   3.4571   4.9759   9.3670   7.1666  -2.0437   6.9141  727.091  254.806  477.006  215.851 250.0846 333.9425 
1 1 1  -17   23   38 f  1028.04  188.358   18.703   5.8399   7.6943   8.3631   29.180   8.1584  687.151  268.460  1271.36  212.432 -584.2137 342.3419 
1 1 1  -17   23   40 o  610.188  247.844   5.3137   7.4051   5.3137   7.4051   0.0000   0.0000  610.188  247.844  ?   ?  0.000000 247.8445 
1 1 1  -17   23   42 o  520.568  233.451   0.4014   7.8824   0.4014   7.8824   0.0000   0.0000  520.568  233.451  ?   ?  0.000000 233.4508 
1 1 1  -17   24    1 o  1112.11  314.554   20.867   11.444   20.867   11.444   0.0000   0.0000  1112.11  314.554  ?   ?  0.000000 314.5536 
1 1 1  -17   24    3 o  656.754  281.735   0.0004   10.382   0.0004   10.382   0.0000   0.0000  656.754  281.735  ?   ?  0.000000 281.7350 
1 1 1  -17   24    5 o  1262.40  190.738   25.916   7.3046   31.851   10.987   21.214   9.7790  1382.81  263.352  1122.11  279.394 260.7072 383.9469 
1 1 1  -17   24    7 o  848.858  244.163   11.880   6.8377   12.664   10.097   11.216   9.2927  902.044  302.878  855.791  290.547 46.25256 419.7054 
1 1 1  -17   24    9 o  1014.03  308.047   17.036   10.644   17.036   10.644   0.0000   0.0000  1014.03  308.047  ?   ?  0.000000 308.0466 
1 1 1  -17   24   11 o  669.957  236.631   6.3979   6.1896   17.974   8.6431  -5.7886   8.8680  1033.59  265.619  523.127  239.685 510.4637 357.7740 
1 1 1  -17   24   13 o  738.677  236.977   8.6454   6.2102   3.4787   8.9329   13.478   8.6395  672.256  272.508  905.816  277.999 -233.5593 389.2864 
1 1 1  -17   24   15 o  458.958  217.288  -9.3827   8.3057   0.0000   0.0000  -9.3827   8.3057  ?   ?   458.958  217.288 0.000000 217.2883 
1 1 1  -17   24   19 o  974.873  265.595   16.175   8.3278   16.175   8.3278   0.0000   0.0000  974.873  265.595  ?   ?  0.000000 265.5949 
1 1 1  -17   24   25 o  688.383  271.749   5.3298   8.6472   0.0000   0.0000   5.3298   8.6472  ?   ?   688.383  271.749 0.000000 271.7487 
1 1 1  -17   24   29 o  793.345  286.507   10.075   9.1242   0.0000   0.0000   10.075   9.1242  ?   ?   793.345  286.507 0.000000 286.5068 
1 1 1  -17   24   31 o  2210.06  148.204   79.614   10.197   89.101   14.696   70.806   14.160  2297.20  206.513  2031.39  226.462 265.8105 306.4839 
1 1 1  -17   24   33 o  595.732  233.696   4.4263   6.3574   8.0139   9.4261   1.4326   8.6107  736.877  285.805  594.729  255.888 142.1479 383.6189 
1 1 1  -17   24   35 o  1365.64  162.940   31.293   6.8300   26.029   9.5632   36.773   9.7578  1181.81  264.972  1442.50  223.242 -260.6921 346.4786 
1 1 1  -17   24   37 o  1064.18  269.866   21.809   9.0056   21.809   9.0056   0.0000   0.0000  1064.18  269.866  ?   ?  0.000000 269.8663 
1 1 1  -17   24   39 o  907.086  220.479   15.291   6.2011   14.372   9.2122   16.053   8.3855  845.359  289.274  896.490  273.664 -51.13147 398.2102 
1 1 1  -17   24   41 o  608.063  253.145   4.8482   7.9801   4.8482   7.9801   0.0000   0.0000  608.063  253.145  ?   ?  0.000000 253.1446 
1 1 1  -17   25    2 o  630.691  243.434   4.3654   6.8127   23.458   10.972  -7.6123   8.6909  1174.33  297.927  494.123  230.188 680.2072 376.4937 
1 1 1  -17   25    6 o  428.133  209.014 -16.6272   9.1927 -16.6272   9.1927   0.0000   0.0000  428.133  209.014  ?   ?  0.000000 209.0143 
1 1 1  -17   25    8 o  515.803  240.897  -8.6913   9.6142  -8.6913   9.6142   0.0000   0.0000  515.803  240.897  ?   ?  0.000000 240.8966 
1 1 1  -17   25   10 o  1077.80  309.106   19.672   10.973   19.672   10.973   0.0000   0.0000  1077.80  309.106  ?   ?  0.000000 309.1062 
1 1 1  -17   25   12 o  744.352  245.837   8.6530   6.6580   16.845   9.7043   1.3674   9.1516  1000.66  291.762  638.603  268.826 362.0536 396.7271 
1 1 1  -17   25   14 o  398.238  194.240 -14.0496   7.8874   0.0000   0.0000 -14.0496   7.8874  ?   ?   398.238  194.240 0.000000 194.2402 
1 1 1  -17   25   16 o  852.777  293.353   11.291   9.4778   11.291   9.4778   0.0000   0.0000  852.777  293.353  ?   ?  0.000000 293.3530 
1 1 1  -17   25   18 o  547.595  243.137  -2.3218   8.3299   0.0000   0.0000  -2.3218   8.3299  ?   ?   547.595  243.137 0.000000 243.1373 
1 1 1  -17   25   20 o  1356.00  184.047   30.095   7.6127   33.860   9.9573   24.799   11.810  1423.13  231.399  1188.85  312.970 234.2806 389.2247 
1 1 1  -17   25   22 o  1528.71  238.479   39.290   11.043   39.290   11.043   0.0000   0.0000  1528.71  238.479  ?   ?  0.000000 238.4793 
1 1 1  -17   25   24 o  864.326  298.076   12.144   9.7884   0.0000   0.0000   12.144   9.7884  ?   ?   864.326  298.076 0.000000 298.0755 
1 1 1  -17   25   26 o  1028.23  288.493   18.757   9.6665   18.757   9.6665   0.0000   0.0000  1028.23  288.493  ?   ?  0.000000 288.4932 
1 1 1  -17   25   30 o  878.368  299.872   13.411   9.8993   0.0000   0.0000   13.411   9.8993  ?   ?   878.368  299.872 0.000000 299.8723 
1 1 1  -17   25   34 o  1191.35  309.096   27.318   11.629   0.0000   0.0000   27.318   11.629  ?   ?   1191.35  309.096 0.000000 309.0964 
1 1 1  -17   25   36 o  1090.75  307.543   23.505   10.957   0.0000   0.0000   23.505   10.957  ?   ?   1090.75  307.543 0.000000 307.5435 
1 1 1  -17   25   38 o  548.852  227.897   2.7989   6.4435   7.4860   8.3348  -4.1639   10.159  689.798  268.416  545.812  252.399 143.9860 368.4462 
1 1 1  -17   26    1 o  1043.40  229.189   18.207   7.2832   29.654   11.219   9.8695   9.5751  1323.95  279.402  824.099  293.967 499.8525 405.5643 
1 1 1  -17   26    3 o  445.826  205.732  -5.0647   6.6972 -16.9839   10.930   2.0997   8.4742  485.544  234.902  631.465  261.706 -145.9213 351.6662 
1 1 1  -17   26    5 o  559.107  232.710   1.3688   6.7415   13.703   10.613  -6.9751   8.7288  929.090  310.523  502.516  232.936 426.5741 388.1804 
1 1 1  -17   26    7 o  812.743  296.140   9.2158   9.7795   9.2158   9.7795   0.0000   0.0000  812.743  296.140  ?   ?  0.000000 296.1399 
1 1 1  -17   26    9 o  477.857  212.072  -1.9955   6.3301   6.7122   9.1086 -10.1291   8.8033  742.772  282.768  470.252  222.945 272.5199 360.0870 
1 1 1  -17   26   11 o  1078.13  317.260   19.756   11.428   19.756   11.428   0.0000   0.0000  1078.13  317.260  ?   ?  0.000000 317.2599 
1 1 1  -17   26   13 o  632.197  274.412  -0.7065   10.079  -0.7065   10.079   0.0000   0.0000  632.197  274.412  ?   ?  0.000000 274.4116 
1 1 1  -17   26   15 o  618.177  270.739  -1.4205   10.001  -1.4205   10.001   0.0000   0.0000  618.177  270.739  ?   ?  0.000000 270.7390 
1 1 1  -17   26   17 o  1023.38  304.335   17.882   10.471   17.882   10.471   0.0000   0.0000  1023.38  304.335  ?   ?  0.000000 304.3347 
1 1 1  -17   26   19 o  597.338  239.433   3.1672   6.8125   10.480   8.7379  -8.1691   10.879  818.929  281.671  559.624  259.634 259.3054 383.0778 
1 1 1  -17   26   21 o  2023.31  157.608   65.858   9.9064   86.667   13.804   43.758   14.225  2308.21  192.751  1591.08  296.438 717.1306 353.5936 
1 1 1  -17   26   23 o  764.129  257.608   9.3134   7.3046   12.410   9.7023   5.2608   11.098  872.826  296.878  747.588  303.503 125.2383 424.5595 
1 1 1  -17   26   25 o  708.424  250.755   7.6021   6.9541   14.649   8.8401  -3.8381   11.264  921.331  280.926  614.844  277.109 306.4873 394.5997 
1 1 1  -17   26   27 o  577.092  254.655  -1.3353   9.0011  -1.3353   9.0011   0.0000   0.0000  577.092  254.655  ?   ?  0.000000 254.6548 
1 1 1  -17   26   29 o  390.707  189.434 -11.1590   7.2022  -8.7452   10.049 -13.7087   10.328  517.038  243.008  480.692  231.505 36.34622 335.6301 
1 1 1  -17   26   31 o  435.145  206.459  -8.0618   7.5776   6.5442   12.132 -17.4048   9.7031  770.167  315.524  429.891  210.888 340.2760 379.5119 
1 1 1  -17   26   33 o  724.844  263.621   8.3261   7.7445  -4.2656   11.673   18.226   10.351  604.851  276.328  988.653  304.429 -383.8018 411.1377 
1 1 1  -17   26   35 o  591.055  265.135  -1.5919   10.175   0.0000   0.0000  -1.5919   10.175  ?   ?   591.055  265.135 0.000000 265.1346 
1 1 1  -17   27    2 o  1479.27  198.875   35.615   8.9784   55.357   13.605   20.382   11.951  1835.42  242.669  1096.82  324.896 738.6008 405.5190 
1 1 1  -17   27    4 o  982.071  309.675   15.890   10.640   0.0000   0.0000   15.890   10.640  ?   ?   982.071  309.675 0.000000 309.6751 
1 1 1  -17   27    6 o  1366.29  293.353   31.715   12.175   31.715   12.175   0.0000   0.0000  1366.29  293.353  ?   ?  0.000000 293.3534 
1 1 1  -17   27    8 o  707.827  255.643   6.9635   7.2645   21.156   10.535  -5.9024   10.031  1114.30  296.671  561.576  256.400 552.7256 392.1153 
1 1 1  -17   27   10 o  807.118  250.929   10.589   7.0132   14.016   10.278   7.6029   9.5936  931.885  305.331  772.461  291.125 159.4230 421.8777 
1 1 1  -17   27   12 o  782.283  258.792   9.6239   7.3771   14.200   11.445   6.3707   9.6492  947.227  322.435  746.867  289.310 200.3599 433.2031 
1 1 1  -17   27   14 o  1311.68  206.319   28.298   8.1940   38.210   12.356   20.517   10.948  1505.94  272.033  1094.34  307.014 411.5948 410.1943 
1 1 1  -17   27   18 o  770.330  294.569   7.4095   9.9125   7.4095   9.9125   0.0000   0.0000  770.330  294.569  ?   ?  0.000000 294.5695 
1 1 1  -17   27   22 o  644.870  272.665   1.5582   9.4821   1.5582   9.4821   0.0000   0.0000  644.870  272.665  ?   ?  0.000000 272.6651 
1 1 1  -17   27   24 o  488.716  233.121 -11.8557   9.9239 -11.8557   9.9239   0.0000   0.0000  488.716  233.121  ?   ?  0.000000 233.1207 
1 1 1  -17   27   26 o  999.317  314.681   17.455   10.990   17.455   10.990   0.0000   0.0000  999.317  314.681  ?   ?  0.000000 314.6815 
1 1 1  -17   27   28 o  387.041  188.321 -12.0687   7.2876 -10.6057   9.4250 -14.2438   11.492  480.094  228.504  515.388  247.192 -35.29477 336.6269 
1 1 1  -17   27   30 o  808.899  268.711   11.025   7.9504   11.841   10.494   9.9255   12.180  853.627  307.407  836.872  324.806 16.75574 447.2116 
1 1 1  -17   27   32 o  645.405  294.145  -4.4592   13.127  -4.4592   13.127   0.0000   0.0000  645.405  294.145  ?   ?  0.000000 294.1450 
1 1 1  -17   28    1 o  836.689  276.686   11.019   8.4328   29.085   14.839   2.4007   10.249  1296.47  355.075  689.734  286.990 606.7383 456.5541 
1 1 1  -17   28    3 o  567.149  255.591  -4.2995   9.5797   0.0000   0.0000  -4.2995   9.5797  ?   ?   567.149  255.591 0.000000 255.5908 
1 1 1  -17   28    5 o  1009.87  350.400   15.866   13.536   15.866   13.536   0.0000   0.0000  1009.87  350.400  ?   ?  0.000000 350.3997 
1 1 1  -17   28    7 o  779.176  270.661   9.0514   8.0777  -9.9043   13.636   19.300   10.026  632.142  292.357  1067.47  291.674 -435.3274 412.9729 
1 1 1  -17   28    9 f  1256.54  284.847   26.803   10.949   0.0000   0.0000   26.803   10.949  ?   ?   1256.54  284.847 0.000000 284.8470 
1 1 1  -17   28   11 o  487.087  219.373  -3.2383   7.0443   0.3956   10.747  -5.9758   9.3276  670.547  287.117  536.184  245.723 134.3623 377.9100 
1 1 1  -17   28   13 o  400.314  193.309 -11.2635   7.3200  -8.3211   11.820 -13.0941   9.3231  591.972  273.222  461.010  221.517 130.9621 351.7386 
1 1 1  -17   28   15 o  639.823  257.893   3.3918   7.9515   7.3573   12.134   0.4068   10.527  819.291  322.387  662.734  283.980 156.5574 429.6251 
1 1 1  -17   28   17 o  502.573  221.281  -1.5227   6.7596 -15.0120   12.352   4.2442   8.0763  544.950  259.982  660.698  262.052 -115.7480 369.1368 
1 1 1  -17   28   19 o  534.858  234.078  -1.1841   7.4642   21.428   11.151 -19.5378   10.047  1113.39  308.973  435.163  213.699 678.2220 375.6745 
1 1 1  -17   28   21 o  1403.92  210.939   32.568   8.9862   77.180   12.707 -12.0599   12.710  2182.68  187.756  578.775  272.422 1603.900 330.8566 
1 1 1  -17   28   23 o  747.181  297.769   5.8166   10.474   5.8166   10.474   0.0000   0.0000  747.181  297.769  ?   ?  0.000000 297.7688 
1 1 1  -17   28   25 o  1189.96  315.043   25.116   11.923   25.116   11.923   0.0000   0.0000  1189.96  315.043  ?   ?  0.000000 315.0432 
1 1 1  -17   28   27 o  709.243  296.860   3.2189   11.058   3.2189   11.058   0.0000   0.0000  709.243  296.860  ?   ?  0.000000 296.8600 
1 1 1  -17   28   29 o  624.277  276.215  -1.5291   10.659  -1.5291   10.659   0.0000   0.0000  624.277  276.215  ?   ?  0.000000 276.2154 
1 1 1  -17   29    2 o  887.792  371.930   4.1904   17.382   4.1904   17.382   0.0000   0.0000  887.792  371.930  ?   ?  0.000000 371.9304 
1 1 1  -17   29    4 o  949.891  376.465   9.6347   16.656   9.6347   16.656   0.0000   0.0000  949.891  376.465  ?   ?  0.000000 376.4647 
1 1 1  -17   29    6 o  794.985  335.629   2.3027   14.332   2.3027   14.332   0.0000   0.0000  794.985  335.629  ?   ?  0.000000 335.6286 
1 1 1  -17   29    8 o  902.748  278.946   13.331   8.6818   31.184   14.930   4.2111   10.671  1343.63  351.017  733.463  297.662 610.1677 460.2343 
1 1 1  -17   29   10 o  853.589  276.229   11.638   8.4239   8.5894   13.934   13.394   10.575  881.316  345.897  922.619  309.967 -41.30347 464.4613 
1 1 1  -17   29   12 o  953.748  321.692   14.381   11.391   0.0000   0.0000   14.381   11.391  ?   ?   953.748  321.692 0.000000 321.6924 
1 1 1  -17   29   14 o  540.510  238.811  -2.0494   7.9402  -3.5760   12.753  -1.0829   10.147  674.306  300.049  630.111  274.417 44.19458 406.6127 
1 1 1  -17   29   16 o  408.175  194.548  -8.7000   6.8830 -14.1609   12.769  -6.4635   8.1718  566.187  268.452  486.903  225.587 79.28348 350.6504 
1 1 1  -17   29   18 o  599.008  237.268   3.4017   6.6127  -0.0002   11.347   5.1512   8.1374  679.696  293.092  682.819  265.352 -3.123108 395.3668 
1 1 1  -17   29   20 o  568.201  234.654   1.8418   6.7782 -27.7805   12.226   14.987   8.1445  455.339  225.831  941.170  265.072 -485.8304 348.2275 
1 1 1  -17   29   22 o  623.006  250.124   3.4268   7.4476   13.099   10.802  -5.3364   10.282  908.490  313.142  573.042  260.842 335.4479 407.5495 
1 1 1  -17   29   24 o  1060.50  254.691   19.267   8.3511   13.978   11.815   24.547   11.805  935.640  327.212  1182.14  313.720 -246.5042 453.3082 
1 1 1  -17   30    1 o  610.779  277.567  -6.2214   11.583   0.0000   0.0000  -6.2214   11.583  ?   ?   610.779  277.567 0.000000 277.5667 
1 1 1  -17   30    3 o  1170.49  315.161   23.244   11.808   0.0000   0.0000   23.244   11.808  ?   ?   1170.49  315.161 0.000000 315.1607 
1 1 1  -17   30    7 o  465.925  218.695  -8.1095   8.0932 -26.5211   13.745   1.6607   10.013  511.038  250.757  672.108  281.968 -161.0703 377.3391 
1 1 1  -17   30    9 o  605.646  281.667 -10.6275   12.926 -10.6275   12.926   0.0000   0.0000  605.646  281.667  ?   ?  0.000000 281.6674 
1 1 1  -17   30   11 o  638.826  283.100  -3.0211   11.241   0.0000   0.0000  -3.0211   11.241  ?   ?   638.826  283.100 0.000000 283.0999 
1 1 1  -17   30   13 o  606.349  259.204   0.2040   8.7331  -0.4452   13.336   0.6915   11.556  731.897  316.664  699.587  298.590 32.30969 435.2378 
1 1 1  -17   30   15 o  608.675  244.033   3.1157   7.0785  -0.4464   13.095   4.5863   8.4138  724.467  313.619  680.059  268.186 44.40729 412.6508 
1 1 1  -17   30   17 o  428.214  202.894  -8.3842   7.2699  -6.0742   13.337  -9.3608   8.6714  661.665  299.565  473.148  223.404 188.5171 373.6955 
1 1 1  -16    0    2 o  4583.16  168.917  333.455   24.167  333.455   24.167  333.455   24.167  4583.16  168.917  4583.16  168.917 -0.000000 0.000000 
1 1 1  -16    0    4 o  1103.54   99.348   19.588   3.3689   19.588   3.3689   19.588   3.3689  1103.54   99.348  1103.54   99.348 -0.000000 0.000000 
1 1 1  -16    0    6 o  866.296  105.702   12.306   2.7532   12.306   2.7532   12.306   2.7532  866.296  105.702  866.296  105.702 -0.000000 0.000000 
1 1 1  -16    0    8 o  2501.16  117.595   99.052   9.1633   99.052   9.1633   99.052   9.1633  2501.16  117.595  2501.16  117.595 -0.000000 0.000000 
1 1 1  -16    0   10 o  2704.54  121.689  115.801   10.258  115.801   10.258  115.801   10.258  2704.54  121.689  2704.54  121.689 -0.000000 0.000000 
1 1 1  -16    0   12 o  335.436  141.834   2.5073   1.5064   2.5073   1.5064   2.5073   1.5064  335.436  141.834  335.436  141.834 -0.000000 0.000000 
1 1 1  -16    0   14 o  1780.13  105.577   50.342   5.8375   50.342   5.8375   50.342   5.8375  1780.13  105.577  1780.13  105.577 -0.000000 0.000000 
1 1 1  -16    0   16 o  2283.70  113.770   82.688   8.0894   82.688   8.0894   82.688   8.0894  2283.70  113.770  2283.70  113.770 -0.000000 0.000000 
1 1 1  -16    0   18 o  1601.43  104.270   40.857   5.1777   40.857   5.1777   40.857   5.1777  1601.43  104.270  1601.43  104.270 -0.000000 0.000000 
1 1 1  -16    0   20 o  488.989  146.162   4.6530   1.9490   4.6530   1.9490   4.6530   1.9490  488.989  146.162  488.989  146.162 -0.000000 0.000000 
1 1 1  -16    0   22 o  692.417  113.900   8.1418   2.2686   8.1418   2.2686   8.1418   2.2686  692.417  113.900  692.417  113.900 -0.000000 0.000000 
1 1 1  -16    0   24 o  1373.04  100.860   30.204   4.2825   30.204   4.2825   30.204   4.2825  1373.04  100.860  1373.04  100.860 -0.000000 0.000000 
1 1 1  -16    0   26 o  1381.77  151.471   31.470   6.3531   31.470   6.3531   31.470   6.3531  1381.77  151.471  1381.77  151.471 -0.000000 0.000000 
1 1 1  -16    0   28 o  504.986  149.954   4.9726   2.0631   4.9726   2.0631   4.9726   2.0631  504.986  149.954  504.986  149.954 -0.000000 0.000000 
1 1 1  -16    0   30 o  1716.31  106.650   47.104   5.6809   47.104   5.6809   47.104   5.6809  1716.31  106.650  1716.31  106.650 -0.000000 0.000000 
1 1 1  -16    0   32 o  1169.04  107.269   22.160   3.8506   22.160   3.8506   22.160   3.8506  1169.04  107.269  1169.04  107.269 -0.000000 0.000000 
1 1 1  -16    0   34 o  1145.22  105.653   21.291   3.7145   21.291   3.7145   21.291   3.7145  1145.22  105.653  1145.22  105.653 -0.000000 0.000000 
1 1 1  -16    0   36 o  1816.13  108.318   52.846   6.1096   52.846   6.1096   52.846   6.1096  1816.13  108.318  1816.13  108.318 -0.000000 0.000000 
1 1 1  -16    0   38 o  3329.36  201.719  182.444   20.852  182.444   20.852  182.444   20.852  3329.36  201.719  3329.36  201.719 -0.000000 0.000000 
1 1 1  -16    0   40 o  3039.23  191.762  151.016   18.083  151.016   18.083  151.016   18.083  3039.23  191.762  3039.23  191.762 -0.000000 0.000000 
1 1 1  -16    0   42 o  5353.64  287.498  484.298   47.877  484.298   47.877  484.298   47.877  5353.64  287.498  5353.64  287.498 -0.000000 0.000000 
1 1 1  -16    0   44 o  1871.02  111.416   55.984   6.4744   55.984   6.4744   55.984   6.4744  1871.02  111.416  1871.02  111.416 -0.000000 0.000000 
1 1 1  -16    0   46 o  3513.70  144.303  197.886   15.816  197.886   15.816  197.886   15.816  3513.70  144.303  3513.70  144.303 -0.000000 0.000000 
1 1 1  -16    0   48 o  7842.15  278.735  1033.69   68.249  1033.69   68.249  1033.69   68.249  7842.15  278.735  7842.15  278.735 -0.000000 0.000000 
1 1 1  -16    0   50 o  5209.71  191.666  441.721   31.170  441.721   31.170  441.721   31.170  5209.71  191.666  5209.71  191.666 -0.000000 0.000000 
1 1 1  -16    0   52 o  2550.71  124.387  104.456   9.8808  104.456   9.8808  104.456   9.8808  2550.71  124.387  2550.71  124.387 -0.000000 0.000000 
1 1 1  -16    0   54 o  3127.76  201.022  164.473   19.501  164.473   19.501  164.473   19.501  3127.76  201.022  3127.76  201.022 -0.000000 0.000000 
1 1 1  -16    0   56 o  875.369  232.596   15.165   5.5085   15.165   5.5085   15.165   5.5085  875.369  232.596  875.369  232.596 -0.000000 0.000000 
1 1 1  -16    0   58 o  4366.92  263.057  344.553   35.671  344.553   35.671  344.553   35.671  4366.92  263.057  4366.92  263.057 -0.000000 0.000000 
1 1 1  -16    0   60 o  6793.14  264.480  842.108   56.064  842.108   56.064  842.108   56.064  6793.14  264.480  6793.14  264.480 -0.000000 0.000000 
1 1 1  -16    0   62 o  5680.32  377.268  691.321   66.423  691.321   66.423  691.321   66.423  5680.32  377.268  5680.32  377.268 -0.000000 0.000000 
1 1 1  -16    1    1 o  4264.22  130.430  288.100   17.415  279.491   21.331  305.310   30.160  4186.24  162.731  4335.56  222.914 -149.3184 275.9926 
1 1 1  -16    1    3 o  550.305   77.976   4.8548   1.3060   4.4782   1.7965   5.2770   1.9021  522.617  113.064  568.593  110.819 -45.97595 158.3173 
1 1 1  -16    1    5 o  688.959   73.002   7.5416   1.5509   7.5100   2.1842   7.5737   2.2024  682.136  105.677  685.004  106.114 -2.867554 149.7592 
1 1 1  -16    1    7 o  1372.47   81.041   29.729   3.4673   30.817   5.9962   29.182   4.2499  1386.73  140.008  1356.78  100.753 29.95471 172.4916 
1 1 1  -16    1    9 o  578.183   77.704   5.3498   1.3712   6.2671   1.9700   4.4879   1.9097  621.898  104.897  522.479  119.343 99.41870 158.8900 
1 1 1  -16    1   11 o  3288.56   94.656  170.465   9.7470  178.347   13.797  162.613   13.772  3353.26  131.403  3199.99  137.442 153.2761 190.1500 
1 1 1  -16    1   13 o  2479.20   81.931   96.755   6.3603   98.225   9.0055   95.293   8.9840  2491.29  115.443  2453.49  116.942 37.80664 164.3245 
1 1 1  -16    1   15 o  757.374   73.387   9.1076   1.7186   8.4282   2.4101   9.8105   2.4512  721.795  110.123  781.377  102.672 -59.58209 150.5610 
1 1 1  -16    1   17 o  519.956   84.274   4.3706   1.3251   4.5491   1.8132   4.1660   1.9413  525.701  113.478  502.078  124.174 23.62314 168.2152 
1 1 1  -16    1   19 o  662.776   75.223   7.0132   1.5335   7.2491   2.1898   6.7862   2.1481  667.352  108.524  644.818  110.356 22.53479 154.7769 
1 1 1  -16    1   21 o  1417.18   70.803   31.688   3.1419   28.822   4.4227   34.609   4.4642  1341.15  106.182  1472.94   97.343 -131.7828 144.0496 
1 1 1  -16    1   23 o  1755.53   74.140   48.757   4.0755   48.434   5.7469   49.085   5.7805  1737.22  106.158  1748.95  106.054 -11.73047 150.0562 
1 1 1  -16    1   25 f  3818.75  123.378  236.295   14.753  231.761   18.055  245.404   25.591  3746.92  153.888  3753.98  218.657 -7.053467 267.3807 
1 1 1  -16    1   27 o  1268.06   80.197   25.694   3.1679   21.293   5.5112   27.865   3.8714  1119.45  161.930  1315.67   94.605 -196.2125 187.5407 
1 1 1  -16    1   29 o  1427.21   72.298   32.461   3.2204   33.857   4.5270   31.031   4.5822  1445.94  100.614  1381.09  106.788 64.85205 146.7203 
1 1 1  -16    1   31 f  2217.49   80.645   78.718   5.5996   81.423   7.9021   75.990   7.9361  2228.75  113.607  2148.79  118.407 79.96069 164.0936 
1 1 1  -16    1   33 o  904.815   86.735   13.334   2.4273   17.143   3.0472   6.7219   4.0149  1022.52   96.306  604.269  190.188 418.2523 213.1812 
1 1 1  -16    1   35 o  3716.48  124.516  233.088   14.490  245.606   17.772  208.269   25.025  3750.89  151.320  3166.89  254.516 584.0000 296.1013 
1 1 1  -16    1   37 o  522.201  116.241   4.7311   1.8518   4.7011   2.2518   4.7937   3.2546  513.412  137.375  514.653  171.961 -1.240051 220.0964 
1 1 1  -16    1   39 o  3525.01  153.810  218.575   16.977  234.300   24.047  202.950   23.971  3440.15  224.471  3137.13  245.999 303.0244 333.0208 
1 1 1  -16    1   41 o  1289.81   89.736   27.301   3.6016   27.723   6.1980   27.086   4.4254  1237.05  164.058  1268.24  112.609 -31.19446 198.9870 
1 1 1  -16    1   43 o  875.976  102.296   12.923   2.7530   8.5564   4.5820   15.390   3.4440  647.924  203.053  945.690  118.935 -297.7659 235.3211 
1 1 1  -16    1   45 o  1367.74   91.595   31.167   3.9001   26.961   6.7855   33.242   4.7660  1160.98  193.463  1394.44  110.049 -233.4598 222.5733 
1 1 1  -16    1   47 o  2287.41   85.295   86.830   6.1092   87.805   8.6160   85.843   8.6636  2229.08  123.931  2199.08  126.348 29.99536 176.9823 
1 1 1  -16    1   49 o  1273.98   79.926   27.060   3.1722   27.186   4.4603   26.932   4.5125  1235.77  116.648  1227.08  118.937 8.688477 166.5915 
1 1 1  -16    1   51 o  1513.03   82.217   39.025   3.8805   38.598   5.5321   39.439   5.4448  1431.88  124.629  1455.14  120.584 -23.26636 173.4156 
1 1 1  -16    1   53 o  2356.79  111.563  107.829   8.2330  110.476   14.223  106.496   10.097  1733.92  270.812  2185.28  148.435 -451.3586 308.8237 
1 1 1  -16    1   55 o  1530.35  106.471   48.393   5.0702   45.427   8.8673   49.834   6.1801  836.716  283.819  1437.94  138.991 -601.2291 316.0254 
1 1 1  -16    1   57 o  1575.66  183.552   87.455   8.8863   82.340   12.434   92.794   12.704  591.647  275.525  668.883  298.420 -77.23633 406.1635 
1 1 1  -16    1   59 o  774.878  205.640   30.383   5.0723   30.383   5.0723   0.0000   0.0000  774.878  205.640  ?   ?  0.000000 205.6400 
1 1 1  -16    1   61 o  611.828  225.664   38.531   5.7035   38.531   5.7035   0.0000   0.0000  611.828  225.664  ?   ?  0.000000 225.6641 
1 1 1  -16    1   63 o  430.400  216.966  212.467   13.633  226.876   16.754  184.233   23.452  ?   ?   ?   ?  0.000000      ? 
1 1 1  -16    2    2 o  3311.69   94.833  172.789   9.8339  183.188   13.919  162.426   13.895  3400.30  130.730  3199.44  138.701 200.8625 190.5995 
1 1 1  -16    2    4 o  798.802   70.175   10.101   1.7374   10.608   2.5215   9.6417   2.3975  814.153  101.083  775.605  101.124 38.54785 142.9814 
1 1 1  -16    2    6 o  657.473   73.132   6.8760   1.4801   5.5896   2.1428   8.0498   2.0468  583.959  121.156  708.694   94.596 -124.7348 153.7112 
1 1 1  -16    2    8 o  672.261   72.599   7.1841   1.5040   7.2458   2.1693   7.1269   2.0869  669.423  107.103  664.421  103.696 5.002563 149.0765 
1 1 1  -16    2   10 o  1082.77   68.606   18.493   2.3140   18.394   3.2775   18.590   3.2675  1075.66   98.399  1081.57   97.532 -5.912109 138.5454 
1 1 1  -16    2   12 o  575.631   77.755   5.3058   1.3656   4.4213   1.8835   6.2861   1.9829  518.386  118.606  622.532  105.491 -104.1466 158.7319 
1 1 1  -16    2   14 o  1986.83   75.349   62.106   4.6876   67.003   6.6540   57.282   6.6049  2056.65  103.658  1899.41  111.543 157.2410 152.2722 
1 1 1  -16    2   16 o  2709.49   85.944  115.763   7.2915  118.321   10.319  113.212   10.304  2729.81  120.724  2669.42  123.280 60.38354 172.5459 
1 1 1  -16    2   18 o  1527.52   71.128   36.745   3.4021   34.876   4.8082   38.618   4.8144  1479.66  104.449  1558.66   99.159 -79.00537 144.0213 
1 1 1  -16    2   20 o  2027.08   76.599   64.867   4.8620   63.806   6.8697   65.932   6.8821  1998.77  110.189  2032.49  108.530 -33.72034 154.6621 
1 1 1  -16    2   22 o  1184.24   70.060   22.221   2.5864   21.862   3.6364   22.588   3.6793  1167.32  100.465  1186.81   99.939 -19.48621 141.7074 
1 1 1  -16    2   24 o  832.823   87.122   11.148   2.2383   12.726   2.7140   7.7932   3.9581  887.094   99.415  670.493  183.285 216.6011 208.5101 
1 1 1  -16    2   26 o  1859.31   75.762   54.889   4.4108   56.473   6.2288   53.296   6.2470  1870.34  106.800  1814.90  110.451 55.43970 153.6413 
1 1 1  -16    2   28 o  2359.41   95.697   89.354   7.0700   88.615   12.164   89.730   8.6882  2283.62  171.361  2346.30  118.643 -62.67871 208.4245 
1 1 1  -16    2   30 o  1571.92   72.047   39.323   3.5462   35.022   4.9409   43.893   5.0927  1464.92  108.486  1646.09   99.269 -181.1721 147.0496 
1 1 1  -16    2   32 o  756.966  113.481   9.5847   2.6069   6.4191   3.6509   12.878   3.7236  596.810  180.215  865.320  142.378 -268.5104 229.6716 
1 1 1  -16    2   34 o  2943.59  107.649  142.993   9.9221  143.479   12.162  142.024   17.159  2908.67  133.530  2762.28  199.726 146.3884 240.2512 
1 1 1  -16    2   36 o  2326.33   96.701   88.841   7.0440   90.686   8.6397   85.181   12.165  2320.12  119.328  2150.35  182.395 169.7717 217.9613 
1 1 1  -16    2   38 o  1308.57   87.296   27.981   3.5564   28.392   4.3618   27.166   6.1427  1304.11  107.781  1227.96  163.843 76.14612 196.1156 
1 1 1  -16    2   40 o  2108.31   81.384   71.997   5.3726   73.313   7.6045   70.686   7.5917  2088.34  116.760  2047.89  118.902 40.45227 166.6449 
1 1 1  -16    2   42 o  2893.35  108.434  139.852   9.8239  130.021   16.962  144.815   12.051  2566.40  212.996  2899.17  132.749 -332.7759 250.9770 
1 1 1  -16    2   44 o  2405.00  100.326   96.602   7.5552   85.745   13.046  102.081   9.2674  2069.69  203.954  2437.02  121.446 -367.3311 237.3738 
1 1 1  -16    2   46 o  4751.52  165.589  427.715   24.637  439.759   42.702  421.706   30.163  3701.57  373.533  4452.77  216.333 -751.1968 431.6565 
1 1 1  -16    2   48 o  2423.96  102.541  100.442   7.7828  104.220   9.5577   93.008   13.409  2413.79  126.900  2072.21  209.527 341.5796 244.9595 
1 1 1  -16    2   50 o  1803.39   94.801   56.025   5.3345   63.089   9.2769   52.536   6.5203  1743.70  172.155  1693.01  123.856 50.69861 212.0796 
1 1 1  -16    2   52 o  2344.94  107.361  101.724   7.8830  104.584   13.635  100.288   9.6616  1907.38  233.143  2210.39  140.320 -303.0132 272.1127 
1 1 1  -16    2   54 o  1212.24  106.752   29.250   4.0108   25.210   6.8947   31.316   4.9309  721.612  250.092  1181.70  135.725 -460.0852 284.5475 
1 1 1  -16    2   56 o  676.209  145.200   12.111   2.9826   14.099   3.6459   8.0883   5.1860  662.083  173.696  365.666  172.689 296.4172 244.9322 
1 1 1  -16    2   58 o  1983.11  137.934  112.525   8.5119  117.612   10.463  102.568   14.638  1605.71  213.376  446.891  225.223 1158.817 310.2495 
1 1 1  -16    2   60 o  755.588  316.104  144.391   12.530  144.391   12.530   0.0000   0.0000  755.588  316.104  ?   ?  0.000000 316.1044 
1 1 1  -16    2   62 o  517.848  237.414   84.404   8.7194   84.404   8.7194   0.0000   0.0000  517.848  237.414  ?   ?  0.000000 237.4141 
1 1 1  -16    3    1 o  3672.09  101.731  212.689   11.697  214.261   16.544  211.118   16.540  3672.04  143.889  3644.61  144.936 27.42896 204.2314 
1 1 1  -16    3    3 o  1213.56   69.008   23.209   2.6114   24.360   3.6923   22.056   3.6940  1239.74   95.859  1178.45  101.086 61.28406 139.3103 
1 1 1  -16    3    5 o  2188.39   77.721   75.296   5.3257   72.247   7.5209   78.363   7.5427  2135.74  112.862  2228.11  108.111 -92.37866 156.2875 
1 1 1  -16    3    7 o  1482.96   70.136   34.551   3.2568   34.495   4.6027   34.608   4.6088  1475.74  100.200  1478.17  100.165 -2.427856 141.6796 
1 1 1  -16    3    9 o  1149.33   69.141   20.828   2.4767   18.461   3.4967   23.211   3.5085  1076.54  105.070  1210.20   93.307 -133.6630 140.5199 
1 1 1  -16    3   11 o  1968.90   74.639   60.955   4.6016   55.522   6.4868   66.458   6.5287  1870.99  111.224  2052.09  101.604 -181.0957 150.6462 
1 1 1  -16    3   13 o  579.539   77.368   5.3771   1.3689   5.4625   1.9206   5.2890   1.9517  578.386  110.067  568.321  113.644 10.06573 158.2079 
1 1 1  -16    3   15 o  3532.11   99.669  197.139   11.023  196.138   15.585  198.142   15.594  3506.56  141.939  3524.73  141.289 -18.16235 200.2729 
1 1 1  -16    3   17 o  891.306   70.944   12.584   1.9636   11.808   2.7646   13.374   2.7894  857.090  105.221  914.168   99.031 -57.07849 144.4942 
1 1 1  -16    3   19 o  734.463   75.042   8.5951   1.7016   9.2552   2.4231   7.9529   2.3900  756.432  105.144  698.361  113.169 58.07111 154.4743 
1 1 1  -16    3   21 o  1842.00   74.050   53.596   4.2710   55.439   6.0591   51.776   6.0214  1862.55  104.312  1798.67  107.402 63.88025 149.7211 
1 1 1  -16    3   23 o  851.649   74.153   11.563   1.9577   12.092   2.7528   11.021   2.7847  863.889  103.848  822.202  111.000 41.68665 152.0045 
1 1 1  -16    3   25 o  1655.96   74.264   43.480   3.8508   41.941   5.3865   45.089   5.5071  1612.12  107.319  1672.50  105.702 -60.37891 150.6329 
1 1 1  -16    3   27 o  907.024   75.632   13.157   2.1284   11.440   2.9309   15.073   3.0960  833.536  115.390  962.576  104.393 -129.0396 155.6046 
1 1 1  -16    3   29 o  2108.91   78.599   70.897   5.1903   67.488   7.3040   74.374   7.3770  2034.03  115.153  2138.90  110.524 -104.8735 159.6109 
1 1 1  -16    3   31 o  1100.60  105.780   19.860   3.6005   16.925   5.1103   22.752   5.0738  979.739  172.898  1158.26  142.930 -178.5175 224.3268 
1 1 1  -16    3   33 o  2947.09  107.316  142.663   9.9032  138.875   12.123  150.262   17.169  2868.88  134.955  2877.09  191.673 -8.205322 234.4172 
1 1 1  -16    3   35 o  2182.45   93.813   77.804   6.4110   76.618   7.8407   80.198   11.136  2138.00  117.572  2114.38  169.626 23.61572 206.3880 
1 1 1  -16    3   37 o  778.621   87.217   9.9665   2.0899   11.940   2.9912   8.0844   2.9211  838.078  117.188  674.250  142.806 163.8287 184.7335 
1 1 1  -16    3   39 o  2478.59   86.439   99.780   6.7086   95.414   9.4888  104.144   9.4861  2370.27  128.327  2488.47  121.741 -118.1997 176.8860 
1 1 1  -16    3   41 o  1398.28   77.327   31.670   3.3725   29.469   4.7410   33.924   4.7984  1321.76  115.718  1424.87  108.360 -103.1173 158.5320 
1 1 1  -16    3   43 o  2923.34  110.624  143.748   10.126  130.102   17.519  150.594   12.409  2521.34  224.243  2943.52  134.635 -422.1843 261.5555 
1 1 1  -16    3   45 o  732.031  111.721   9.2762   2.4797   5.5472   4.3332   11.092   3.0237  532.165  196.613  791.828  126.190 -259.6624 233.6247 
1 1 1  -16    3   47 o  1845.57  119.141   59.591   6.8483   0.0000   0.0000   59.591   6.8483  ?   ?   1845.57  119.141 0.000000 119.1412 
1 1 1  -16    3   49 f  2525.32  137.522  118.080   10.833   0.0000   0.0000  118.080   10.833  ?   ?   2525.32  137.522 0.000000 137.5219 
1 1 1  -16    3   51 o  1921.26  125.379   69.687   7.5014   69.858   10.638   69.517   10.579  1710.10  202.607  1708.70  201.612 1.397461 285.8270 
1 1 1  -16    3   53 o  1234.41  101.075   28.704   3.8725   26.976   4.7881   31.973   6.5848  1116.07  140.096  1066.74  204.581 49.33691 247.9526 
1 1 1  -16    3   55 o  2159.52  116.878  101.155   7.8739  103.391   9.6812   96.785   13.533  1970.30  158.256  1010.43  350.369 959.8635 384.4523 
1 1 1  -16    3   57 o  2490.24  180.429  215.907   13.974  212.845   17.087  222.088   24.279  1485.83  368.962  ?   ?  0.000000 368.9616 
1 1 1  -16    3   59 o  522.914  168.727   12.014   3.1447   12.605   3.7692   10.660   5.7045  440.614  177.572  299.892  149.629 140.7222 232.2079 
1 1 1  -16    3   61 o  1514.13  213.941  137.227   9.8607  142.912   12.119  126.090   16.963  608.619  279.347  ?   ?  0.000000 279.3467 
1 1 1  -16    3   63 o  372.014  186.771   96.544   9.5549   96.544   9.5549   0.0000   0.0000  372.014  186.771  ?   ?  0.000000 186.7706 
1 1 1  -16    4    2 o  2280.10   79.232   81.768   5.6568   82.509   8.0002   81.028   7.9997  2285.23  111.803  2264.44  112.822 20.79028 158.8358 
1 1 1  -16    4    4 o  1605.11   70.873   40.482   3.5621   36.492   5.0236   44.516   5.0517  1516.93  106.436  1677.90   96.558 -160.9702 143.7084 
1 1 1  -16    4    6 o  637.354   73.668   6.4690   1.4431   6.5364   1.9881   6.3939   2.0980  635.699  103.435  627.216  110.883 8.482849 151.6370 
1 1 1  -16    4    8 o  2224.94   78.156   77.854   5.4450   72.573   7.6842   83.178   7.7166  2139.55  115.122  2295.20  107.372 -155.6509 157.4226 
1 1 1  -16    4   10 o  1681.51   71.947   44.445   3.7882   49.263   5.3728   39.682   5.3419  1764.71   97.611  1581.21  108.549 183.5011 145.9825 
1 1 1  -16    4   12 o  1587.32   70.132   39.608   3.4858   42.867   4.9679   36.448   4.8922  1645.50   96.845  1515.58  103.711 129.9232 141.8974 
1 1 1  -16    4   14 o  321.244   95.918   1.6474   1.0385   1.1896   1.4690   2.1048   1.4684  309.572  114.458  366.336  114.970 -56.76431 162.2307 
1 1 1  -16    4   16 o  1674.92   72.794   44.168   3.8177   41.280   5.3867   47.083   5.4116  1610.49  107.436  1722.05  100.799 -111.5554 147.3195 
1 1 1  -16    4   18 o  3459.26   97.239  189.589   10.533  194.993   14.898  184.189   14.893  3488.33  136.392  3388.00  140.386 100.3345 195.7316 
1 1 1  -16    4   20 o  334.155   98.660   1.8023   1.1035   1.5574   1.5905   2.0296   1.5323  335.702  119.804  361.944  117.858 -26.24139 168.0585 
1 1 1  -16    4   22 o  1608.03   72.497   40.876   3.6503   40.071   5.1648   41.681   5.1598  1580.54  104.955  1612.91  102.701 -32.36816 146.8437 
1 1 1  -16    4   24 o  1693.33   73.933   45.424   3.9201   43.735   5.5205   47.143   5.5676  1647.56  107.600  1712.22  104.344 -64.65955 149.8844 
1 1 1  -16    4   26 o  1591.50   73.227   40.171   3.6492   39.676   5.1191   40.683   5.2033  1567.90  104.874  1587.59  105.268 -19.69312 148.5934 
1 1 1  -16    4   28 o  1319.04   82.549   27.849   3.3923   29.503   4.1756   24.639   5.8178  1351.26   99.386  1205.98  157.852 145.2771 186.5341 
1 1 1  -16    4   30 o  2147.30  114.762   75.412   7.6883   73.105   10.917   77.682   10.830  2062.00  170.610  2133.73  163.332 -71.72144 236.1888 
1 1 1  -16    4   32 o  1841.08   88.338   54.676   5.0926   52.032   6.2429   59.933   8.8041  1776.61  112.807  1870.31  151.637 -93.70300 188.9958 
1 1 1  -16    4   34 o  4421.39  122.437  327.146   16.951  320.692   23.955  333.617   23.989  4218.23  181.364  4314.10  177.582 -95.87305 253.8274 
1 1 1  -16    4   36 o  1018.58   87.873   16.968   2.7752   18.769   3.3858   13.281   4.8446  1063.40  102.972  838.292  189.070 225.1058 215.2922 
1 1 1  -16    4   38 o  683.995   94.789   7.7655   1.9756   7.4220   2.7980   8.1070   2.7898  647.360  141.943  680.458  135.695 -33.09796 196.3693 
1 1 1  -16    4   40 f  1363.34   78.322   30.076   3.3295   31.320   4.7478   28.873   4.6703  1368.83  111.746  1311.62  114.874 57.20483 160.2594 
1 1 1  -16    4   42 o  462.965  122.625   3.7640   1.8059   2.2264   2.5714   5.2605   2.5368  393.287  150.116  538.689  146.516 -145.4020 209.7660 
1 1 1  -16    4   44 o  2030.75  117.853   70.537   7.4618   0.0000   0.0000   70.537   7.4618  ?   ?   2030.75  117.853 0.000000 117.8528 
1 1 1  -16    4   46 o  3142.78  149.542  180.304   14.716   0.0000   0.0000  180.304   14.716  ?   ?   3142.78  149.542 0.000000 149.5421 
1 1 1  -16    4   48 o  848.799  179.777   14.634   4.6294   0.0000   0.0000   14.634   4.6294  ?   ?   848.799  179.777 0.000000 179.7766 
1 1 1  -16    4   50 o  1659.60  120.600   50.154   6.2243   50.002   9.0391   50.292   8.5835  1495.98  197.820  1533.77  182.296 -37.78235 269.0065 
1 1 1  -16    4   52 o  1698.42   98.207   52.329   5.2005   51.188   6.4057   54.534   8.9071  1604.10  128.614  1459.06  200.243 145.0448 237.9886 
1 1 1  -16    4   54 o  1903.53  105.875   71.998   6.2856   76.325   7.7911   63.932   10.638  1837.20  136.408  1129.57  296.873 707.6215 326.7117 
1 1 1  -16    4   56 o  854.011  123.596   17.043   3.2090   16.767   4.0204   17.529   5.3270  714.747  179.799  546.117  214.009 168.6298 279.5133 
1 1 1  -16    4   58 o  1680.97  125.108   74.055   6.5379   74.627   8.0651   72.960   11.166  1361.88  194.665  534.030  252.564 827.8478 318.8776 
1 1 1  -16    4   60 o  1348.15  136.765   57.860   5.6935   53.125   6.8915   68.040   10.105  816.503  247.834  418.251  207.057 398.2516 322.9462 
1 1 1  -16    4   62 o  204.182  103.020   1.1446   3.1126   1.1446   3.1126   0.0000   0.0000  204.182  103.020  ?   ?  0.000000 103.0201 
1 1 1  -16    5    1 o  1696.19   72.572   45.228   3.8544   43.743   5.4515   46.713   5.4504  1661.12  105.355  1717.49  101.803 -56.37146 146.5041 
1 1 1  -16    5    3 o  670.283   74.712   7.1500   1.5414   6.7700   2.1903   7.5229   2.1695  645.431  112.466  682.665  104.846 -37.23352 153.7570 
1 1 1  -16    5    5 o  1601.05   70.734   40.282   3.5461   40.140   5.0136   40.424   5.0162  1592.01  101.099  1597.72  100.784 -5.711914 142.7525 
1 1 1  -16    5    7 o  808.379   71.956   10.351   1.8023   11.144   2.5866   9.6032   2.5127  834.521  101.045  772.767  106.690 61.75385 146.9448 
1 1 1  -16    5    9 o  1759.36   73.060   48.664   4.0248   48.299   5.6806   49.033   5.7034  1745.91  104.388  1759.25  103.998 -13.34497 147.3519 
1 1 1  -16    5   11 o  1839.72   74.085   53.232   4.2678   52.226   6.0215   54.247   6.0497  1814.83  106.427  1850.07  104.862 -35.23511 149.4078 
1 1 1  -16    5   13 o  2530.84   83.117  100.918   6.5868  100.918   9.3174  100.917   9.3128  2522.79  117.949  2522.79  117.892 0.2441406E-02 166.7646 
1 1 1  -16    5   15 o  2493.93   81.743   98.063   6.3834  104.822   9.0414   91.345   9.0136  2570.47  112.333  2394.27  120.616 176.2087 164.8236 
1 1 1  -16    5   17 o  4403.66  114.836  308.541   15.835  328.423   22.411  288.723   22.376  4510.67  158.676  4220.47  169.318 290.1982 232.0493 
1 1 1  -16    5   19 o  1119.29   70.660   19.835   2.4638   19.947   3.5056   19.726   3.4634  1115.92  101.432  1109.85  100.758 6.067383 142.9709 
1 1 1  -16    5   21 o  3028.12  105.646  146.366   10.017  142.994   17.277  148.074   12.294  2926.46  189.567  3031.14  129.533 -104.6814 229.5963 
1 1 1  -16    5   23 o  1356.84   71.160   29.199   3.0128   27.328   4.2124   31.157   4.3108  1302.96  104.117  1393.39   99.456 -90.41931 143.9852 
1 1 1  -16    5   25 o  1595.10   85.929   40.616   4.2760   37.225   5.2587   47.234   7.3460  1516.87  111.499  1694.68  139.681 -177.8071 178.7254 
1 1 1  -16    5   27 o  1909.93   88.089   58.242   5.2681   60.131   6.4751   54.543   9.0605  1928.73  107.645  1801.04  162.408 127.6844 194.8433 
1 1 1  -16    5   29 o  2081.06  163.899   73.511   10.594   0.0000   0.0000   73.511   10.594  ?   ?   2081.06  163.899 0.000000 163.8986 
1 1 1  -16    5   31 o  2596.55   87.226  108.399   7.0919  109.096   10.020  107.699   10.039  2570.15  124.509  2552.48  125.603 17.67505 176.8570 
1 1 1  -16    5   33 o  1342.26   73.380   28.932   3.0724   30.757   4.2878   27.006   4.4047  1369.18  100.720  1276.10  111.349 93.08142 150.1437 
1 1 1  -16    5   35 o  876.837   79.833   12.485   2.1679   12.105   2.9844   12.911   3.1543  847.144  115.521  873.802  118.328 -26.65845 165.3679 
1 1 1  -16    5   37 o  1800.27   89.877   52.637   5.0665   53.142   6.2301   51.651   8.7058  1788.50  111.809  1707.16  164.915 81.33789 199.2442 
1 1 1  -16    5   39 o  1769.01   77.333   50.361   4.2836   51.099   6.0724   49.630   6.0437  1753.87  111.146  1727.31  112.352 26.56348 158.0397 
1 1 1  -16    5   41 o  2790.36  105.466  128.798   9.2149  133.148   15.924  126.608   11.299  2674.38  191.425  2724.79  132.429 -50.41040 232.7678 
1 1 1  -16    5   43 o  3135.28  111.809  165.248   10.977  158.700   18.950  168.555   13.466  2815.92  216.578  3110.50  138.255 -294.5850 256.9446 
1 1 1  -16    5   45 o  2473.53  198.951  121.727   15.279   0.0000   0.0000  121.727   15.279  ?   ?   2473.53  198.951 0.000000 198.9507 
1 1 1  -16    5   47 o  1726.13  117.883   51.813   6.3334   45.163   9.1161   58.017   8.8055  1479.62  202.042  1751.73  162.382 -272.1077 259.2086 
1 1 1  -16    5   49 o  780.841  137.470   11.424   3.2384   22.685   5.1659   4.1328   4.1564  1079.46  157.471  464.754  186.762 614.7075 244.2894 
1 1 1  -16    5   51 o  831.332  144.311   13.955   3.6203   8.6191   5.3044   18.609   4.9534  541.956  213.190  906.587  180.831 -364.6314 279.5531 
1 1 1  -16    5   53 o  2802.40  192.998  214.711   16.832  226.309   23.901  203.298   23.709  1624.56  452.869  1297.86  462.621 326.7003 647.3860 
1 1 1  -16    5   55 o  1674.12  104.968   57.570   5.4747   62.513   6.7978   48.447   9.2355  1625.87  134.741  840.367  289.550 785.4988 319.3656 
1 1 1  -16    5   57 o  1042.65  120.577   26.196   3.8639   24.897   4.7886   28.620   6.5414  827.573  188.949  597.367  236.185 230.2063 302.4648 
1 1 1  -16    5   59 o  1992.43  160.371  139.361   9.9205  140.152   12.209  137.822   17.021  1211.86  317.810  ?   ?  0.000000 317.8105 
1 1 1  -16    5   61 o  766.101  255.178   60.884   7.1680   60.884   7.1680   0.0000   0.0000  766.101  255.178  ?   ?  0.000000 255.1777 
1 1 1  -16    6    2 o  811.618   71.723   10.436   1.8040   13.629   2.5681   7.3256   2.5347  925.732   89.720  669.240  125.569 256.4919 154.3282 
1 1 1  -16    6    4 o  967.522   70.758   14.792   2.1288   13.978   3.0200   15.595   3.0012  935.096  104.955  989.537   98.155 -54.44135 143.7007 
1 1 1  -16    6    6 o  1232.18   69.349   23.936   2.6648   20.913   3.7593   26.989   3.7779  1145.90  105.971  1305.24   93.046 -159.3466 141.0227 
1 1 1  -16    6    8 o  1113.29   70.261   19.559   2.4367   17.512   3.4554   21.585   3.4368  1047.44  106.850  1166.11   94.947 -118.6754 142.9398 
1 1 1  -16    6   10 o  926.136   71.160   13.566   2.0478   12.447   2.8912   14.692   2.9009  881.022  107.000  959.903   97.884 -78.88068 145.0183 
1 1 1  -16    6   12 o  1640.36   72.271   42.335   3.7121   39.219   5.2298   45.500   5.2699  1570.72  106.969  1693.93   99.795 -123.2054 146.2927 
1 1 1  -16    6   14 o  1494.96   71.334   35.180   3.3392   36.540   4.7018   33.795   4.7431  1516.57   99.564  1457.12  104.654 59.44958 144.4491 
1 1 1  -16    6   16 o  472.537   90.071   3.6455   1.2841   1.9347   1.8039   5.4028   1.8283  367.072  127.882  574.834  105.459 -207.7622 165.7567 
1 1 1  -16    6   18 o  615.074   82.698   6.0852   1.5524   6.6205   2.1105   5.4542   2.2914  636.161  109.924  572.273  130.738 63.88861 170.8087 
1 1 1  -16    6   20 o  2832.69   88.129  127.268   7.8169  126.437   11.037  128.105   11.073  2804.82  125.670  2823.50  125.241 -18.68262 177.4208 
1 1 1  -16    6   22 o  389.357  124.693   2.4024   1.7200   2.4024   1.7200   0.0000   0.0000  389.357  124.693  ?   ?  0.000000 124.6928 
1 1 1  -16    6   24 o  1766.96   86.511   49.664   4.7865   47.729   5.8851   53.446   8.2267  1720.71  109.800  1801.18  147.151 -80.46228 183.6009 
1 1 1  -16    6   26 o  1711.45   85.142   46.651   4.5628   48.434   5.6139   43.180   7.8318  1733.83  103.883  1607.49  157.623 126.3378 188.7771 
1 1 1  -16    6   28 o  4230.67  133.625  293.907   17.702  280.150   30.678  300.773   21.674  3899.35  252.618  4230.94  163.598 -331.5884 300.9652 
1 1 1  -16    6   30 o  2120.09   92.509   72.330   6.1413   71.690   10.534   72.660   7.5587  2045.31  165.910  2106.70  115.020 -61.38916 201.8806 
1 1 1  -16    6   32 o  582.519   93.842   5.6185   1.6535   7.6867   2.3779   3.6819   2.3010  674.735  116.775  464.015  143.643 210.7206 185.1209 
1 1 1  -16    6   34 o  1594.92   76.708   40.842   3.8309   40.246   5.4004   41.445   5.4351  1558.59  111.389  1582.52  110.375 -23.92810 156.8126 
1 1 1  -16    6   36 o  3514.17  100.906  201.966   11.103  197.529   15.691  206.416   15.715  3393.68  147.657  3475.81  144.388 -82.14063 206.5201 
1 1 1  -16    6   38 o  2458.09   99.235   98.645   7.6380  101.455   13.101   97.198   9.4009  2385.04  176.687  2408.54  125.083 -23.49536 216.4810 
1 1 1  -16    6   40 o  1589.68  109.927   41.957   5.4382   42.765   7.8298   41.203   7.5589  1553.42  163.421  1527.79  160.401 25.62842 228.9868 
1 1 1  -16    6   42 o  2306.69  120.119   89.922   8.6459   99.757   12.305   80.330   12.151  2348.72  168.426  2070.87  189.494 277.8486 253.5260 
1 1 1  -16    6   44 o  1575.50   92.029   41.011   4.5203   38.924   5.6023   44.906   7.6518  1507.97  119.630  1573.01  157.465 -65.04468 197.7542 
1 1 1  -16    6   46 o  2573.45  102.356  111.321   8.2480  118.536   10.175   97.498   14.084  2613.23  124.353  2182.14  208.668 431.0867 242.9117 
1 1 1  -16    6   48 o  884.041  130.748   14.146   3.5101   9.6849   5.3198   17.585   4.6713  643.027  219.826  954.867  162.025 -311.8407 273.0858 
1 1 1  -16    6   50 f  1769.80  121.286   57.318   6.6807   58.591   9.6761   56.159   9.2353  1620.49  194.585  1602.93  187.546 17.55750 270.2533 
1 1 1  -16    6   52 o  1773.04  128.919   63.127   7.1083   66.801   10.393   59.898   9.7438  1534.22  222.860  1462.92  219.482 71.29675 312.7920 
1 1 1  -16    6   54 o  2215.34  174.219  132.892   11.988  117.170   17.132  147.973   16.780  907.664  373.759  1549.06  353.707 -641.3990 514.5917 
1 1 1  -16    6   56 o  1430.38  111.415   44.922   4.9508   40.515   6.1759   52.845   8.2813  1137.69  179.300  1031.74  257.230 105.9430 313.5537 
1 1 1  -16    6   58 o  1548.21  115.736   58.766   5.5701   63.079   6.8949   50.664   9.4508  1394.65  160.835  505.540  236.982 889.1089 286.4060 
1 1 1  -16    6   60 o  1007.11  247.251   69.078   7.7396   69.078   7.7396   0.0000   0.0000  1007.11  247.251  ?   ?  0.000000 247.2506 
1 1 1  -16    6   62 o  296.981  134.282   6.7166   2.6698   5.0188   3.5161   9.0283   4.1028  236.550  117.936  258.951  128.827 -22.40071 174.6581 
1 1 1  -16    7    1 o  2390.01   80.771   89.966   6.0446   90.771   8.5533   89.163   8.5435  2393.59  114.121  2372.07  115.025 21.51855 162.0321 
1 1 1  -16    7    3 o  2495.41   81.425   98.061   6.3624   90.989   8.9791  105.193   9.0165  2395.68  119.698  2577.98  111.697 -182.2942 163.7188 
1 1 1  -16    7    5 o  2286.98   79.544   82.337   5.6962   86.976   8.0608   77.710   8.0506  2344.72  109.793  2211.87  116.651 132.8479 160.1933 
1 1 1  -16    7    7 o  1662.81   72.576   43.490   3.7788   41.245   5.3481   45.728   5.3399  1611.59  106.584  1698.49  100.856 -86.90076 146.7382 
1 1 1  -16    7    9 o  2372.53   80.997   88.661   6.0173   87.718   8.5128   89.603   8.5066  2352.55  115.562  2378.02  114.242 -25.47046 162.4984 
1 1 1  -16    7   11 o  1583.68   71.640   39.467   3.5525   39.531   5.0380   39.404   5.0101  1577.54  102.548  1575.09  102.135 2.452393 144.7336 
1 1 1  -16    7   13 o  2916.02   90.110  134.312   8.2277  133.198   11.640  135.424   11.632  2890.72  128.595  2915.25  127.424 -24.52368 181.0343 
1 1 1  -16    7   15 o  2258.19   79.635   80.468   5.6309   78.493   7.9467   82.459   7.9800  2218.13  114.809  2277.28  111.910 -59.14380 160.3271 
1 1 1  -16    7   17 o  2856.91   88.419  129.202   7.9097  124.531   11.166  133.908   11.207  2788.14  127.893  2893.33  123.696 -105.1870 177.9252 
1 1 1  -16    7   19 o  516.533  101.355   4.3882   1.5808   4.9794   1.9434   3.2321   2.7176  547.946  116.834  460.603  157.119 87.34244 195.7971 
1 1 1  -16    7   21 o  1171.85  104.413   22.092   3.7912   22.092   3.7912   0.0000   0.0000  1171.85  104.413  ?   ?  0.000000 104.4130 
1 1 1  -16    7   23 o  443.449  110.851   3.2758   1.5350   3.4232   1.9213   3.0157   2.5525  453.954  129.057  444.061  152.267 9.893036 199.6020 
1 1 1  -16    7   25 o  2317.04   82.454   85.328   5.9822   87.956   8.4440   82.680   8.4763  2335.74  115.454  2258.97  120.267 76.77441 166.7143 
1 1 1  -16    7   27 o  1534.75   73.401   37.384   3.5274   39.605   4.9774   35.142   4.9997  1566.80  102.011  1472.32  109.228 94.47974 149.4554 
1 1 1  -16    7   29 o  3239.57   96.818  168.941   9.8211  171.513   13.887  166.367   13.892  3219.23  137.761  3167.70  140.053 51.52539 196.4507 
1 1 1  -16    7   31 o  2839.93  104.986  131.288   9.3359  140.180   16.119  126.800   11.452  2822.15  183.407  2759.84  132.522 62.30664 226.2746 
1 1 1  -16    7   33 o  2735.73   89.048  120.900   7.6281  117.545   10.788  124.255   10.788  2651.79  129.918  2731.41  126.133 -79.61890 181.0753 
1 1 1  -16    7   35 o  2863.79  131.700  137.478   11.810  141.589   16.713  133.378   16.690  2801.02  191.712  2705.91  198.363 95.10718 275.8647 
1 1 1  -16    7   37 f  2315.03  119.647   88.927   8.6435   93.221   12.230   84.641   12.218  2304.77  170.679  2182.14  180.426 122.6289 248.3645 
1 1 1  -16    7   39 o  2736.24  128.651  125.499   11.023  134.389   15.684  116.823   15.494  2734.75  184.232  2525.39  197.511 209.3582 270.0967 
1 1 1  -16    7   41 o  1547.11   92.372   39.144   4.4544   39.225   5.5798   39.000   7.3964  1528.95  117.446  1481.30  162.110 47.64709 200.1830 
1 1 1  -16    7   43 o  1682.67   90.445   46.473   4.7480   48.410   5.9322   43.020   7.9198  1696.60  112.301  1536.72  167.291 159.8738 201.4892 
1 1 1  -16    7   45 o  1823.10   93.058   55.025   5.2946   56.089   6.5794   53.070   8.9186  1813.17  116.503  1686.22  171.292 126.9470 207.1570 
1 1 1  -16    7   47 o  1429.21  118.563   35.469   5.2580   29.576   7.6932   40.634   7.2029  1182.47  215.728  1476.01  158.319 -293.5470 267.5887 
1 1 1  -16    7   49 o  2951.16  147.551  165.033   13.635  172.805   19.460  157.539   19.110  2692.96  233.073  2530.69  244.197 162.2644 337.5726 
1 1 1  -16    7   51 o  2747.66  156.322  159.502   13.394  160.360   19.122  158.676   18.766  2198.71  284.414  2219.91  275.927 -21.20264 396.2661 
1 1 1  -16    7   53 o  1044.53  137.607   23.753   4.3911   27.970   6.5634   20.337   5.9081  918.391  229.018  749.893  229.849 168.4985 324.4684 
1 1 1  -16    7   55 o  1539.19  148.009   59.630   7.0454   54.576   10.221   64.205   9.7247  812.369  301.604  1159.94  272.394 -347.5690 406.4035 
1 1 1  -16    7   57 o  695.586  180.372   17.072   3.9616   17.700   6.0120   16.590   5.2667  444.050  201.077  483.864  203.824 -39.81381 286.3143 
1 1 1  -16    7   59 o  699.870  206.327   25.459   4.8294   25.459   4.8294   0.0000   0.0000  699.870  206.327  ?   ?  0.000000 206.3272 
1 1 1  -16    7   61 o  258.010  120.394   3.3434   2.3931   7.5202   3.0599  -3.2358   3.8404  317.561  143.657  ?   ?  0.000000 143.6570 
1 1 1  -16    8    2 o  1596.02   72.100   40.087   3.6032   36.748   5.1054   43.401   5.0862  1519.55  108.002  1654.11   98.648 -134.5631 146.2735 
1 1 1  -16    8    4 o  1605.87   71.140   40.572   3.5772   37.014   5.0443   44.172   5.0736  1525.68  106.253  1669.26   97.492 -143.5771 144.2023 
1 1 1  -16    8    6 o  875.298   71.164   12.132   1.9336   11.537   2.7207   12.740   2.7484  847.727  104.724  892.305  100.093 -44.57813 144.8646 
1 1 1  -16    8    8 o  556.347   85.190   4.9913   1.4368   4.8942   2.0899   5.0783   1.9785  544.254  125.236  555.524  117.417 -11.27032 171.6709 
1 1 1  -16    8   10 o  1439.65   69.841   32.617   3.1484   33.176   4.4641   32.063   4.4410  1444.85   99.273  1420.03  100.526 24.81494 141.2823 
1 1 1  -16    8   12 o  945.949   73.774   14.181   2.1679   12.238   3.0188   16.250   3.1152  870.725  113.415  1008.23   99.995 -137.5011 151.2019 
1 1 1  -16    8   14 o  521.825   94.874   4.4416   1.4931   4.5977   2.0728   4.2733   2.1526  526.266  127.198  507.607  133.607 18.65973 184.4722 
1 1 1  -16    8   16 o  643.076   95.284   6.6940   1.8606   6.5736   2.3346   6.9035   3.0803  631.086  122.561  640.858  155.161 -9.771362 197.7276 
1 1 1  -16    8   18 o  1177.42   82.337   22.040   3.0165   20.252   3.7113   25.521   5.1780  1122.46  106.884  1252.56  134.107 -130.0942 171.4896 
1 1 1  -16    8   20 o  1832.31  107.506   53.794   6.1411   53.794   6.1411   0.0000   0.0000  1832.31  107.506  ?   ?  0.000000 107.5057 
1 1 1  -16    8   22 o  2443.52   82.120   94.672   6.2832   90.564   8.8526   98.842   8.9194  2370.47  119.653  2481.91  114.772 -111.4390 165.7991 
1 1 1  -16    8   24 o  769.414   80.981   9.4948   1.9217   9.3985   2.6522   9.6012   2.7884  756.339  115.663  763.087  120.714 -6.748535 167.1820 
1 1 1  -16    8   26 o  1819.61   74.978   52.532   4.2720   50.195   6.0108   54.917   6.0727  1762.46  109.458  1845.79  105.508 -83.32288 152.0295 
1 1 1  -16    8   28 o  846.957   83.205   11.551   2.1781   10.619   3.0291   12.549   3.1343  797.878  125.381  871.556  117.872 -73.67780 172.0880 
1 1 1  -16    8   30 o  1755.95   89.506   49.677   4.9050   48.914   6.0566   51.132   8.3613  1728.33  112.528  1733.34  155.717 -5.003174 192.1205 
1 1 1  -16    8   32 o  3271.14  141.778  179.934   14.522  181.573   20.556  178.300   20.518  3156.89  209.136  3124.41  210.965 32.47754 297.0591 
1 1 1  -16    8   34 o  1325.44  106.528   28.833   4.3839   28.202   6.2095   29.461   6.1900  1276.18  158.828  1308.24  154.062 -32.05164 221.2723 
1 1 1  -16    8   36 o  1892.48  111.521   58.821   6.5793   57.443   9.3011   60.202   9.3081  1820.94  164.915  1868.94  160.617 -48.00000 230.2054 
1 1 1  -16    8   38 o  1688.04   90.712   46.160   4.7772   47.270   5.9300   44.108   8.0632  1693.21  112.488  1591.25  164.187 101.9606 199.0244 
1 1 1  -16    8   40 o  1471.91   90.514   35.253   4.1515   40.312   5.2250   26.590   6.8371  1562.48  107.448  1206.27  187.072 356.2142 215.7338 
1 1 1  -16    8   42 o  2007.53   94.954   65.975   5.9689   66.913   7.4052   64.237   10.085  1994.17  119.137  1883.69  172.908 110.4774 209.9788 
1 1 1  -16    8   44 o  1381.57   94.374   31.536   4.0582   31.705   5.0924   31.244   6.7179  1363.18  120.545  1304.75  168.361 58.43408 207.0662 
1 1 1  -16    8   46 o  3007.90  114.377  153.857   10.773  139.263   13.214  182.781   18.602  2774.62  152.678  3051.43  195.724 -276.8074 248.2305 
1 1 1  -16    8   48 o  1314.84  123.634   30.689   5.0303   23.008   7.4144   37.241   6.8474  980.754  242.741  1397.45  159.333 -416.7006 290.3617 
1 1 1  -16    8   50 o  1677.96  123.690   52.368   6.4530   54.763   9.3902   50.226   8.8828  1539.36  199.506  1481.75  196.282 57.61182 279.8739 
1 1 1  -16    8   52 o  526.217  165.474   6.8822   3.0401   10.009   4.9447   4.9818   3.8547  543.968  208.040  429.541  177.131 114.4267 273.2328 
1 1 1  -16    8   54 o  2686.27  247.946  278.113   20.620  298.219   29.380  258.594   28.948  865.710  409.507  718.280  354.647 147.4302 541.7288 
1 1 1  -16    8   56 o  1932.47  337.221  256.473   19.663  255.467   28.019  257.448   27.601  ?   ?   ?   ?  0.000000      ? 
1 1 1  -16    8   58 o  504.363  182.348   12.237   3.6974   14.753   5.8272   10.541   4.7838  378.719  180.085  367.971  171.207 10.74863 248.4803 
1 1 1  -16    8   60 f  1934.75  195.222  174.966   11.665  181.776   14.350  161.700   20.029  885.857  349.956  ?   ?  0.000000 349.9558 
1 1 1  -16    9    1 o  2252.91   80.007   80.030   5.6440   78.159   8.0155   81.869   7.9486  2214.93  115.976  2271.03  111.776 -56.09766 161.0725 
1 1 1  -16    9    3 o  1354.15   72.181   28.951   3.0496   29.017   4.3357   28.886   4.2901  1349.82  103.367  1346.94  102.488 2.884277 145.5623 
1 1 1  -16    9    5 o  908.856   72.627   13.087   2.0496   13.573   2.9208   12.616   2.8769  920.309  103.129  886.317  105.748 33.99176 147.7099 
1 1 1  -16    9    7 o  1511.62   72.238   35.977   3.4192   35.529   4.8659   36.415   4.8056  1494.02  104.674  1513.23  102.016 -19.21350 146.1642 
1 1 1  -16    9    9 o  1418.55   71.740   31.767   3.1762   35.466   4.4956   28.081   4.4882  1494.22   96.601  1326.09  109.055 168.1309 145.6869 
1 1 1  -16    9   11 o  1512.31   85.388   36.231   4.0269   36.083   4.9138   36.535   7.0271  1504.72  104.948  1500.08  151.689 4.637451 184.4550 
1 1 1  -16    9   13 o  616.553   98.445   6.1702   1.8366   6.4095   2.3278   5.7756   2.9893  623.283  123.640  587.874  158.693 35.40973 201.1720 
1 1 1  -16    9   15 o  678.791   92.878   7.4314   1.9223   5.7274   2.3858   10.585   3.2456  586.399  132.991  802.215  133.931 -215.8159 188.7436 
1 1 1  -16    9   17 o  2037.59   88.930   65.787   5.6739   68.149   6.9738   61.162   9.7585  2065.26  108.216  1931.71  162.851 133.5502 195.5284 
1 1 1  -16    9   19 o  2294.54   94.077   83.626   6.7592   81.984   8.2287   87.032   11.851  2260.42  116.657  2301.38  165.566 -40.95557 202.5364 
1 1 1  -16    9   21 o  388.724  109.941   2.4814   1.3980   2.5459   1.9813   2.4174   1.9729  405.178  134.122  397.879  133.879 7.299774 189.5056 
1 1 1  -16    9   23 o  1117.48   73.200   19.839   2.5472   21.564   3.5510   18.011   3.6558  1158.54   98.831  1053.97  112.515 104.5688 149.7571 
1 1 1  -16    9   25 o  814.045   90.957   10.690   2.2788   11.228   2.8567   9.7489   3.7789  828.103  113.131  753.515  164.752 74.58838 199.8548 
1 1 1  -16    9   27 o  528.505  119.128   4.7033   1.9243   3.2989   2.4591   6.9215   3.0906  452.583  149.400  632.920  156.761 -180.3369 216.5516 
1 1 1  -16    9   29 f  2109.10  113.501   72.582   7.4682   72.607   10.546   72.556   10.577  2064.47  164.508  2063.12  165.112 1.340820 233.0769 
1 1 1  -16    9   31 o  1740.40  108.012   49.448   5.8572   50.095   8.2630   48.795   8.3038  1714.99  155.564  1689.61  158.818 25.38318 222.3131 
1 1 1  -16    9   33 o  2929.68  132.418  142.413   12.147  141.689   17.250  143.125   17.109  2824.27  196.281  2843.63  193.293 -19.36548 275.4783 
1 1 1  -16    9   35 o  1112.08   92.669   20.046   3.1975   21.170   4.0647   18.221   5.1791  1132.24  116.301  1021.93  167.669 110.3111 204.0560 
1 1 1  -16    9   37 o  2089.94   93.882   70.514   6.1438   72.714   7.5928   66.344   10.456  2103.13  115.742  1952.83  172.778 150.3015 207.9626 
1 1 1  -16    9   39 o  3103.09  112.009  158.229   10.883  158.057   13.391  158.563   18.679  3061.51  139.693  2946.25  203.723 115.2656 247.0164 
1 1 1  -16    9   41 o  1683.02   93.983   46.255   4.9331   43.116   6.1648   51.844   8.2256  1600.63  123.968  1724.36  153.962 -123.7281 197.6670 
1 1 1  -16    9   43 o  2175.79   97.256   77.744   6.6260   76.884   8.1895   79.375   11.275  2131.12  123.251  2090.18  173.844 40.93286 213.1017 
1 1 1  -16    9   45 o  1305.07   97.376   28.278   3.9506   27.961   4.9680   28.822   6.5157  1273.66  126.231  1247.99  171.253 25.66309 212.7483 
1 1 1  -16    9   47 o  682.908  156.022   8.8392   3.2633   10.890   5.1086   7.4253   4.2414  705.824  213.188  597.085  196.167 108.7390 289.7075 
1 1 1  -16    9   49 o  493.880  167.466   5.0942   3.0871   10.912   5.3298   2.1567   3.7871  653.726  220.050  398.918  170.616 254.8080 278.4448 
1 1 1  -16    9   51 o  862.086  153.283   15.830   3.9861   9.4731   6.0212   20.789   5.3184  525.059  219.349  926.933  189.630 -401.8737 289.9544 
1 1 1  -16    9   53 o  2546.65  175.123  166.293   13.880  173.852   19.823  159.025   19.440  1620.03  394.471  1434.59  411.418 185.4407 569.9755 
1 1 1  -16    9   55 f  2313.62  228.755  201.998   16.355  197.866   23.363  205.969   22.904  694.484  337.743  785.108  368.318 -90.62354 499.7283 
1 1 1  -16    9   57 o  1847.14  276.759  191.024   15.514  195.777   22.123  186.425   21.762  520.528  263.872  511.807  259.687 8.721039 370.2243 
1 1 1  -16    9   59 o  427.175  179.511   12.410   4.0693   11.205   6.0621   13.397   5.4900  312.916  155.824  349.029  168.264 -36.11310 229.3333 
1 1 1  -16   10    2 o  437.032  109.157   3.1495   1.4893   3.4013   2.6494   3.0332   1.8008  469.284  155.083  431.820  125.621 37.46432 199.5778 
1 1 1  -16   10    4 f  2085.48   88.694   68.709   5.7918   73.435   10.093   66.389   7.0722  2132.53  152.146  2041.89  111.030 90.63538 188.3510 
1 1 1  -16   10    6 o  878.641   89.148   12.320   2.4187   14.700   4.1065   11.055   2.9930  948.072  142.756  825.467  119.252 122.6056 186.0114 
1 1 1  -16   10    8 o  900.949   86.888   12.937   2.4208   15.469   4.2111   11.688   2.9585  972.880  142.457  850.281  113.989 122.5987 182.4487 
1 1 1  -16   10   10 f  537.472  108.108   4.7466   1.7564   4.0481   2.2516   5.8322   2.8070  495.612  139.299  590.957  151.104 -95.34433 205.5153 
1 1 1  -16   10   12 o  1540.21   84.777   37.596   4.0729   38.432   5.0343   36.013   6.9293  1552.54  104.160  1487.94  150.809 64.59387 183.2833 
1 1 1  -16   10   14 f  234.612   99.235   0.0703   1.2567  -0.4827   1.6438   0.8481   1.9495  246.097  108.699  320.762  128.256 -74.66505 168.1221 
1 1 1  -16   10   16 o  1865.57   77.071   54.959   4.5021   54.839   6.3479   55.081   6.3862  1852.26  109.942  1856.21  110.372 -3.949219 155.7858 
1 1 1  -16   10   18 o  490.735  139.005   3.9883   2.2331   3.9883   2.2331   0.0000   0.0000  490.735  139.005  ?   ?  0.000000 139.0051 
1 1 1  -16   10   20 o  2510.63   96.361  100.227   7.5753  101.805   9.3159   97.149   13.015  2520.63  118.032  2425.84  172.468 94.79126 208.9901 
1 1 1  -16   10   22 o  1914.51   89.441   58.241   5.3618   57.381   6.6133   59.889   9.1598  1889.27  112.296  1908.36  154.617 -19.09119 191.0935 
1 1 1  -16   10   24 f  2047.18   91.629   66.781   5.8737   66.556   7.2741   67.202   9.9571  2030.68  114.869  2013.17  159.256 17.50867 196.3605 
1 1 1  -16   10   26 o  1832.01  157.350   56.094   8.9387   0.0000   0.0000   56.094   8.9387  ?   ?   1832.01  157.350 0.000000 157.3500 
1 1 1  -16   10   28 o  493.657  143.895   4.1352   2.3608   1.7230   4.2831   5.1877   2.8293  453.304  186.797  548.870  156.812 -95.56616 243.8917 
1 1 1  -16   10   30 o  1268.47   87.715   25.895   3.4626   27.289   4.3215   23.395   5.7869  1293.60  107.667  1167.86  162.664 125.7386 195.0683 
1 1 1  -16   10   32 f  206.893   96.459  -1.3577   1.5310   0.1387   2.1023  -3.0473   2.2339  298.559  127.391  226.577  108.754 71.98203 167.4993 
1 1 1  -16   10   34 o  2355.27   97.657   89.358   7.2021   89.208   8.9068   89.641   12.241  2331.94  122.407  2287.60  172.159 44.33472 211.2394 
1 1 1  -16   10   36 o  354.733  132.153   1.6774   1.9657  -0.5110   2.7057   4.1236   2.8607  315.952  139.510  495.703  161.018 -179.7502 213.0489 
1 1 1  -16   10   38 o  1405.94   91.891   31.999   4.0231   32.905   5.0508   30.428   6.6543  1412.73  115.180  1325.12  163.864 87.60181 200.2947 
1 1 1  -16   10   40 o  1297.71   93.793   27.439   3.7856   26.322   4.7894   29.299   6.1798  1253.11  123.673  1299.29  154.955 -46.17590 198.2580 
1 1 1  -16   10   42 o  1302.09   96.199   27.812   3.8944   23.789   4.9366   34.441   6.3372  1177.12  136.465  1410.23  145.609 -233.1040 199.5610 
1 1 1  -16   10   44 o  2582.11  105.917  110.510   8.5636  102.055   10.572  126.642   14.604  2429.56  139.555  2630.47  178.355 -200.9077 226.4641 
1 1 1  -16   10   46 o  1771.87  119.926   53.868   6.6145   49.862   9.6053   57.480   9.1220  1594.25  196.578  1760.10  167.536 -165.8512 258.2849 
1 1 1  -16   10   48 o  1458.47  121.230   37.818   5.4862   41.028   8.0331   35.011   7.5105  1413.97  185.945  1299.02  190.287 114.9462 266.0539 
1 1 1  -16   10   50 o  718.312  170.207   11.361   3.7697   12.330   5.9245   10.702   4.8864  632.002  230.463  626.927  210.700 5.075500 312.2619 
1 1 1  -16   10   52 o  2541.01  164.285  150.282   13.001  147.290   18.598  153.142   18.183  1709.68  358.839  1894.92  317.688 -185.2417 479.2607 
1 1 1  -16   10   54 o  2466.66  356.399  368.237   26.729  368.847   38.001  367.639   37.603  ?   ?   ?   ?  0.000000      ? 
1 1 1  -16   10   56 o  1898.44  180.951  112.250   10.626  108.314   15.233  115.980   14.831  745.426  329.991  924.044  358.469 -178.6173 487.2309 
1 1 1  -16   10   58 o  1634.53  246.259  136.469   12.213  130.952   17.425  141.796   17.121  475.763  240.460  533.963  265.235 -58.20062 358.0095 
1 1 1  -16   10   60 o  951.063  336.068  140.026   12.486  140.681   17.979  139.416   17.353  ?   ?   ?   ?  0.000000      ? 
1 1 1  -16   11    1 f  1694.96   86.304   45.487   4.5653   42.733   5.6137   50.866   7.8452  1636.91  110.163  1776.18  142.253 -139.2698 179.9215 
1 1 1  -16   11    3 o  1730.75   84.880   47.294   4.6000   44.472   7.9293   48.725   5.6474  1655.74  154.735  1750.25  103.507 -94.50342 186.1629 
1 1 1  -16   11    5 o  1299.42   81.301   26.742   3.2913   29.701   5.7157   25.274   4.0258  1356.21  136.446  1258.69  103.047 97.52612 170.9859 
1 1 1  -16   11    7 o  871.319  105.240   12.210   2.8131   14.617   4.1551   10.173   3.8224  944.385  145.159  780.569  161.705 163.8159 217.3009 
1 1 1  -16   11    9 o  956.609  105.991   14.693   3.1215   15.975   4.5328   13.537   4.3049  985.942  151.686  904.242  157.780 81.70050 218.8680 
1 1 1  -16   11   11 o  983.974  103.852   15.527   3.1514   10.785   4.4257   20.404   4.4884  798.860  181.105  1122.70  130.088 -323.8407 222.9845 
1 1 1  -16   11   13 o  1435.89  103.820   32.898   4.6364   33.639   6.6029   32.176   6.5117  1438.13  148.780  1405.69  150.269 32.43616 211.4625 
1 1 1  -16   11   15 o  1003.46  107.668   16.191   3.3301   14.215   4.8053   18.016   4.6192  920.621  173.048  1048.78  144.495 -128.1602 225.4427 
1 1 1  -16   11   17 o  1238.26  103.651   24.547   3.9819   28.495   5.6711   20.708   5.5922  1323.79  138.884  1117.47  164.765 206.3235 215.4910 
1 1 1  -16   11   19 o  1705.68  106.862   46.553   5.6786   48.576   8.2159   44.703   7.8575  1723.00  153.904  1652.51  153.611 70.48657 217.4459 
1 1 1  -16   11   21 o  884.823  113.735   12.729   3.0782   11.486   4.6045   13.733   4.1391  817.612  184.265  907.725  150.922 -90.11346 238.1829 
1 1 1  -16   11   23 o  1347.77  104.604   29.229   4.3799   35.307   6.2918   23.515   6.1009  1467.80  138.534  1181.77  169.743 286.0243 219.0993 
1 1 1  -16   11   25 o  683.810  170.805   8.1049   3.6465   0.0000   0.0000   8.1049   3.6465  ?   ?   683.810  170.805 0.000000 170.8053 
1 1 1  -16   11   27 o  1005.43   93.892   16.318   2.9217   14.088   3.6886   20.074   4.7868  920.109  131.791  1096.00  142.879 -175.8951 194.3793 
1 1 1  -16   11   29 o  2515.41   99.896  101.753   7.8682  100.597   9.7199  103.952   13.401  2479.35  125.611  2471.95  174.249 7.398193 214.8040 
1 1 1  -16   11   31 o  173.479   84.704  -2.7578   1.5112  -1.8828   2.3826  -3.3468   1.9547  261.721  121.452  200.371   97.503 61.34999 155.7477 
1 1 1  -16   11   33 o  3012.49  108.363  146.603   10.222  147.186   12.579  145.469   17.538  2993.96  134.180  2898.88  194.332 95.07666 236.1554 
1 1 1  -16   11   35 o  1850.25   91.633   54.887   5.3088   53.859   6.5805   56.804   8.9845  1816.59  116.298  1835.02  157.901 -18.42725 196.1067 
1 1 1  -16   11   37 o  2197.70   95.484   77.825   6.5708   77.623   8.1241   78.208   11.173  2174.41  119.783  2135.24  168.482 39.16602 206.7224 
1 1 1  -16   11   39 o  1977.29   94.675   63.219   5.8617   60.115   7.2535   69.062   9.9519  1904.81  122.257  2003.93  159.933 -99.12000 201.3095 
1 1 1  -16   11   41 o  2235.24  121.395   83.185   8.4647   82.307   12.159   84.010   11.791  2144.80  182.796  2179.26  174.249 -34.46094 252.5412 
1 1 1  -16   11   43 o  624.333  160.100   7.0699   3.1448   8.4811   4.9322   6.1032   4.0822  661.018  211.100  575.830  192.586 85.18732 285.7493 
1 1 1  -16   11   45 o  2170.43  126.125   80.594   8.5347   57.663   12.196  102.602   11.948  1662.96  241.257  2387.99  160.719 -725.0203 289.8889 
1 1 1  -16   11   47 o  3308.72  156.636  204.041   16.228  208.839   23.133  199.392   22.771  3006.80  247.915  2927.00  250.881 79.79614 352.7085 
1 1 1  -16   11   49 o  1806.68  129.026   60.835   7.2512   48.856   10.472   71.867   10.050  1340.66  258.837  1843.13  176.291 -502.4640 313.1695 
1 1 1  -16   11   51 o  308.601  140.154   0.3450   2.9472   2.4689   4.7158  -1.0162   3.7752  387.378  176.454  309.208  146.421 78.16986 229.2925 
1 1 1  -16   11   53 o  878.614  167.824   18.984   4.4487   11.146   6.6297   25.405   6.0001  475.968  213.729  913.586  213.574 -437.6176 302.1486 
1 1 1  -16   11   55 o  997.114  176.568   27.966   5.3110   17.416   7.8981   36.673   7.1757  453.894  213.977  956.610  239.968 -502.7157 321.5138 
1 1 1  -16   11   57 o  618.750  298.999  138.465   17.586  138.465   17.586   0.0000   0.0000  618.750  298.999  ?   ?  0.000000 298.9988 
1 1 1  -16   11   59 o  1258.93  369.710  194.201   15.533  216.902   22.204  172.446   21.736  ?   ?   ?   ?  0.000000      ? 
1 1 1  -16   12    2 o  481.690  116.230   3.8340   1.7330   5.2940   2.2564   1.7344   2.7059  565.094  130.200  398.433  153.521 166.6613 201.2975 
1 1 1  -16   12    4 o  378.049  114.273   2.2882   1.4674   4.1934   1.8590  -0.8611   2.3901  503.546  119.665  291.676  129.834 211.8704 176.5693 
1 1 1  -16   12    6 o  883.306   88.184   12.444   2.4064   15.191   3.0085   7.5642   4.0096  974.500  100.012  671.245  184.880 303.2543 210.1976 
1 1 1  -16   12    8 o  901.833   86.764   12.961   2.4199   16.402   3.0775   7.3876   3.9167  1013.22   98.235  663.428  182.724 349.7960 207.4565 
1 1 1  -16   12   10 o  688.045   97.164   7.6387   2.0351   8.3806   2.6268   6.5249   3.2186  715.880  121.531  624.224  162.930 91.65625 203.2633 
1 1 1  -16   12   12 o  1514.54  101.734   36.536   4.7966   43.329   6.9485   30.352   6.6297  1639.23  136.618  1362.83  158.307 276.3960 209.1072 
1 1 1  -16   12   14 o  454.739  138.067   3.3447   2.1386   4.9939   3.5800   2.4297   2.6667  558.060  180.021  424.711  154.658 133.3484 237.3322 
1 1 1  -16   12   16 f  1175.15  106.042   22.134   3.8600   23.123   5.5759   21.224   5.3489  1186.77  153.655  1136.02  154.367 50.75647 217.8051 
1 1 1  -16   12   18 o  1066.93  106.578   18.304   3.5129   18.357   5.1248   18.257   4.8248  1051.49  160.759  1052.08  150.768 -0.5949707 220.3960 
1 1 1  -16   12   20 o  977.800  156.228   15.928   4.6223   0.0000   0.0000   15.928   4.6223  ?   ?   977.800  156.228 0.000000 156.2277 
1 1 1  -16   12   22 o  694.566  169.384   8.2703   3.6508   0.0000   0.0000   8.2703   3.6508  ?   ?   694.566  169.384 0.000000 169.3842 
1 1 1  -16   12   24 o  1030.93  112.836   17.285   3.5830   20.043   5.3900   15.102   4.7961  1090.59  162.824  941.497  168.892 149.0953 234.5979 
1 1 1  -16   12   26 o  2257.51  115.685   82.485   8.1501   89.634   11.731   75.815   11.331  2317.28  162.710  2122.75  171.949 194.5315 236.7298 
1 1 1  -16   12   28 o  1366.05  110.795   30.256   4.6983   28.228   6.8838   32.025   6.4285  1286.88  175.402  1386.17  150.527 -99.28918 231.1367 
1 1 1  -16   12   30 o  561.047  149.304   5.3703   2.6691   3.7111   4.2755   6.4298   3.4166  516.523  194.412  610.372  171.604 -93.84869 259.3147 
1 1 1  -16   12   32 o  1807.68  114.314   52.956   6.4372   46.426   9.3260   58.898   8.8963  1648.68  183.779  1882.71  152.208 -234.0267 238.6255 
1 1 1  -16   12   34 f  362.292  140.570   1.4795   2.2809   2.0509   3.9259   1.1884   2.8023  451.574  181.494  376.321  152.602 75.25229 237.1235 
1 1 1  -16   12   36 o  971.078  123.012   15.614   3.6565   12.824   5.5961   17.693   4.8302  836.806  213.021  1018.55  156.454 -181.7424 264.3023 
1 1 1  -16   12   38 o  1655.58  116.269   44.996   5.9892   34.058   8.7043   54.831   8.2536  1370.93  209.414  1803.71  147.426 -432.7815 256.1028 
1 1 1  -16   12   40 o  2507.91  126.842  104.506   9.9284   99.690   14.205  109.106   13.883  2360.90  193.860  2492.92  179.038 -132.0212 263.8871 
1 1 1  -16   12   42 o  1098.72  119.024   20.192   4.0294   24.256   6.0899   17.027   5.3739  1167.89  171.649  966.800  184.241 201.0911 251.8097 
1 1 1  -16   12   44 o  3471.59  151.449  210.393   16.463  222.028   23.511  199.201   23.060  3362.04  224.629  3154.06  235.181 207.9753 325.2203 
1 1 1  -16   12   46 o  1456.00  121.672   36.711   5.4963   35.528   8.1150   37.714   7.4708  1330.93  200.983  1411.00  172.696 -80.07373 264.9868 
1 1 1  -16   12   48 o  1781.55  128.594   57.922   7.1254   48.664   10.418   66.060   9.7672  1400.59  246.551  1797.71  175.761 -397.1200 302.7854 
1 1 1  -16   12   50 o  2010.70  136.083   79.323   8.5173   63.950   12.226   93.819   11.873  1393.24  289.691  2000.68  191.872 -607.4380 347.4701 
1 1 1  -16   12   52 f  2548.86  173.727  156.146   13.783  122.671   19.676  188.394   19.312  1090.16  415.460  2278.16  276.385 -1188.000 498.9940 
1 1 1  -16   12   54 o  1986.99  157.131   96.550   9.6966   64.343   13.774  128.198   13.653  707.297  313.413  1945.82  228.433 -1238.527 387.8266 
1 1 1  -16   12   56 o  890.686  343.684   93.551   13.576   93.551   13.576   0.0000   0.0000  890.686  343.684  ?   ?  0.000000 343.6844 
1 1 1  -16   12   58 o  504.006  225.794   28.940   7.3540   0.0000   0.0000   28.940   7.3540  ?   ?   504.006  225.794 0.000000 225.7942 
1 1 1  -16   13    1 o  837.362  160.263   11.647   4.0490   11.647   4.0490   0.0000   0.0000  837.362  160.263  ?   ?  0.000000 160.2627 
1 1 1  -16   13    3 o  1442.27   88.992   32.980   3.9993   36.204   4.8673   26.279   7.0170  1508.10  103.701  1260.33  183.171 247.7755 210.4885 
1 1 1  -16   13    5 o  960.155  110.439   14.817   3.2598   14.817   3.2598   0.0000   0.0000  960.155  110.439  ?   ?  0.000000 110.4386 
1 1 1  -16   13    7 o  1534.82   83.980   37.288   4.0207   42.256   4.9814   28.001   6.8106  1631.06   97.990  1305.80  170.651 325.2595 196.7836 
1 1 1  -16   13    9 o  1236.97  106.932   24.451   4.1010   24.451   4.1010   0.0000   0.0000  1236.97  106.932  ?   ?  0.000000 106.9320 
1 1 1  -16   13   11 o  1368.12   86.280   29.685   3.6772   30.824   4.5859   27.635   6.1543  1389.69  106.191  1301.58  153.989 88.11487 187.0539 
1 1 1  -16   13   13 o  1030.44   90.040   16.921   2.8760   15.687   3.6525   18.936   4.6655  984.755  121.000  1077.37  141.736 -92.61719 186.3605 
1 1 1  -16   13   15 o  1279.42  104.888   26.182   4.1651   26.050   6.0895   26.299   5.7094  1259.66  157.855  1269.83  146.264 -10.17456 215.2002 
1 1 1  -16   13   17 o  1648.89  106.354   43.461   5.4619   44.974   7.8464   42.038   7.6077  1659.75  152.689  1603.96  153.344 55.79236 216.3985 
1 1 1  -16   13   19 o  560.531  144.099   5.2786   2.5431   1.6355   3.9946   7.7616   3.2978  448.534  182.087  677.239  158.346 -228.7048 241.3073 
1 1 1  -16   13   21 o  792.879  123.230   10.335   2.9601   14.692   4.5780   7.2042   3.8804  934.687  162.308  648.768  183.051 285.9191 244.6460 
1 1 1  -16   13   23 o  767.229  130.680   9.7657   3.0269   6.5009   4.6527   12.162   3.9857  624.391  205.474  849.549  155.562 -225.1577 257.7186 
1 1 1  -16   13   25 o  1881.52  111.177   57.025   6.5209   60.696   9.4489   53.688   9.0106  1913.85  159.115  1797.61  161.816 116.2435 226.9400 
1 1 1  -16   13   27 o  1522.96  108.689   37.379   5.1491   42.114   7.5367   33.235   7.0513  1595.61  152.713  1410.94  162.579 184.6720 223.0542 
1 1 1  -16   13   29 o  1439.76  110.402   33.445   4.9393   34.374   7.2633   32.645   6.7368  1434.57  164.679  1402.02  156.106 32.55469 226.9101 
1 1 1  -16   13   31 o  3188.20  137.715  165.544   13.748  165.970   19.626  165.135   19.265  3118.71  202.063  3115.26  198.525 3.453125 283.2699 
1 1 1  -16   13   33 o  1455.49  112.982   34.323   5.1088   34.670   7.6343   34.041   6.8751  1431.04  173.951  1428.06  156.302 2.985352 233.8573 
1 1 1  -16   13   35 o  3051.36  199.268  161.156   18.935   0.0000   0.0000  161.156   18.935  ?   ?   3051.36  199.268 0.000000 199.2683 
1 1 1  -16   13   37 o  1193.39  120.018   23.432   4.4240   27.191   6.7707   20.631   5.8441  1252.76  177.574  1088.87  177.523 163.8926 251.0918 
1 1 1  -16   13   39 o  654.416  161.639   7.5349   3.2927   4.7624   5.2924   9.2858   4.2058  562.288  215.186  717.724  185.721 -155.4355 284.2490 
1 1 1  -16   13   41 o  1290.57  120.913   27.667   4.8292   24.429   7.3494   30.127   6.4064  1147.51  212.361  1321.49  157.953 -173.9767 264.6630 
1 1 1  -16   13   43 o  1000.09  136.510   17.184   4.1632   14.322   6.4296   19.250   5.4631  840.945  235.052  1031.54  175.415 -190.5950 293.2914 
1 1 1  -16   13   45 o  1924.26  120.209   63.213   7.2067   64.892   10.480   61.707   9.9259  1853.06  183.009  1817.24  176.671 35.82007 254.3721 
1 1 1  -16   13   47 o  2143.97  132.173   82.996   8.8299   71.341   12.774   93.660   12.219  1749.76  239.431  2152.45  183.035 -402.6912 301.3788 
1 1 1  -16   13   49 o  591.511  177.455   7.9028   3.5484   4.6379   5.3830   10.412   4.7187  464.072  200.987  639.824  206.707 -175.7524 288.3116 
1 1 1  -16   13   51 o  1324.79  142.247   36.106   5.8084   28.540   8.7056   42.176   7.7977  827.780  281.218  1303.33  197.237 -475.5512 343.4909 
1 1 1  -16   13   53 o  280.021  134.676  -1.4674   3.4655  -4.6065   5.6613   0.4137   4.3825  301.631  150.266  328.364  156.151 -26.73230 216.7090 
1 1 1  -16   13   57 o  470.826  211.069   18.168   6.4374   0.0000   0.0000   18.168   6.4374  ?   ?   470.826  211.069 0.000000 211.0690 
1 1 1  -16   14    2 o  485.844  141.830   3.8564   2.2919   3.8564   2.2919   0.0000   0.0000  485.844  141.830  ?   ?  0.000000 141.8299 
1 1 1  -16   14    4 o  2379.42  118.069   90.054   8.7968   90.054   8.7968   0.0000   0.0000  2379.42  118.069  ?   ?  0.000000 118.0687 
1 1 1  -16   14    6 o  1227.36   88.496   23.918   3.3782   21.280   4.0530   29.920   6.1144  1151.92  113.857  1358.59  146.022 -206.6636 185.1641 
1 1 1  -16   14    8 o  391.112  133.420   2.2639   1.9596   1.0042   2.3109   5.4889   3.6974  349.125  139.623  581.792  182.413 -232.6674 229.7155 
1 1 1  -16   14   10 o  1645.56   88.433   42.919   4.5399   42.923   5.5448   42.910   7.9077  1640.59  108.550  1624.25  157.459 16.34521 191.2494 
1 1 1  -16   14   12 o  1414.57  156.287   32.660   6.8069   32.660   6.8069   0.0000   0.0000  1414.57  156.287  ?   ?  0.000000 156.2869 
1 1 1  -16   14   14 o  198.686   97.278  -3.9169   2.0341  -4.5937   2.8979  -3.2596   2.8558  250.217  121.028  269.351  127.489 -19.13399 175.7876 
1 1 1  -16   14   16 o  397.974  161.704   1.1734   3.1536   1.1734   3.1536   0.0000   0.0000  397.974  161.704  ?   ?  0.000000 161.7040 
1 1 1  -16   14   18 o  1456.53  104.248   33.953   4.7230   39.910   6.9503   28.843   6.4379  1565.21  143.406  1322.72  158.601 242.4846 213.8217 
1 1 1  -16   14   20 o  1195.22  105.947   22.959   3.9240   28.255   5.9437   18.867   5.2244  1312.21  147.194  1063.92  161.932 248.2968 218.8332 
1 1 1  -16   14   22 o  729.614  175.143   9.1110   3.9506   0.0000   0.0000   9.1110   3.9506  ?   ?   729.614  175.143 0.000000 175.1430 
1 1 1  -16   14   24 o  1371.85  106.913   30.234   4.5563   32.780   6.5368   27.828   6.3542  1411.92  150.160  1295.57  160.035 116.3469 219.4518 
1 1 1  -16   14   26 o  2074.37  113.616   69.093   7.3517   74.642   10.427   63.608   10.367  2132.43  157.277  1959.70  170.643 172.7294 232.0666 
1 1 1  -16   14   28 o  1977.26  111.729   62.756   6.8892   67.974   9.8996   57.857   9.5931  2034.39  156.610  1870.99  165.451 163.4021 227.8173 
1 1 1  -16   14   30 o  169.984   84.546  -4.3663   1.7627  -2.0901   3.0906  -5.4636   2.1459  305.986  140.674  185.443   92.404 120.5437 168.3085 
1 1 1  -16   14   32 o  1006.28  121.437   16.545   3.7490   18.165   5.4536   15.093   5.1623  1033.64  174.726  936.967  182.516 96.67151 252.6685 
1 1 1  -16   14   34 f  2844.26  129.517  131.552   11.535  134.095   16.368  129.043   16.258  2810.74  187.044  2754.08  189.684 56.65820 266.3936 
1 1 1  -16   14   36 o  1540.29  113.073   38.552   5.4154   41.531   7.8052   35.787   7.5198  1570.53  160.992  1452.10  168.516 118.4220 233.0582 
1 1 1  -16   14   38 o  2496.14  180.732  107.067   14.030   0.0000   0.0000  107.067   14.030  ?   ?   2496.14  180.732 0.000000 180.7322 
1 1 1  -16   14   40 o  2967.50  201.426  156.401   18.606   0.0000   0.0000  156.401   18.606  ?   ?   2967.50  201.426 0.000000 201.4265 
1 1 1  -16   14   42 o  1354.25  170.868   32.357   7.0844   0.0000   0.0000   32.357   7.0844  ?   ?   1354.25  170.868 0.000000 170.8680 
1 1 1  -16   14   44 o  1984.05  179.134   72.599   11.009   0.0000   0.0000   72.599   11.009  ?   ?   1984.05  179.134 0.000000 179.1339 
1 1 1  -16   14   46 o  1496.26  183.872   44.261   8.4334   0.0000   0.0000   44.261   8.4334  ?   ?   1496.26  183.872 0.000000 183.8716 
1 1 1  -16   14   48 o  389.793  172.378   1.4298   4.1463   0.0000   0.0000   1.4298   4.1463  ?   ?   389.793  172.378 0.000000 172.3783 
1 1 1  -16   14   50 o  629.876  219.847   11.577   5.3324   0.0000   0.0000   11.577   5.3324  ?   ?   629.876  219.847 0.000000 219.8467 
1 1 1  -16   14   52 o  1082.90  236.458   35.637   7.7931   0.0000   0.0000   35.637   7.7931  ?   ?   1082.90  236.458 0.000000 236.4575 
1 1 1  -16   14   54 o  765.790  252.646   25.717   7.0326   25.717   7.0326   0.0000   0.0000  765.790  252.646  ?   ?  0.000000 252.6465 
1 1 1  -16   14   56 o  1664.98  158.565   73.047   8.1669   68.715   11.586   77.323   11.514  884.042  322.303  1096.29  317.269 -212.2453 452.2596 
1 1 1  -16   15    1 o  1196.98  113.499   22.971   4.2032   22.971   4.2032   0.0000   0.0000  1196.98  113.499  ?   ?  0.000000 113.4994 
1 1 1  -16   15    3 o  1353.70  110.898   29.293   4.6595   29.293   4.6595   0.0000   0.0000  1353.70  110.898  ?   ?  0.000000 110.8978 
1 1 1  -16   15    5 o  2535.74  120.821  102.410   9.5932  102.410   9.5932   0.0000   0.0000  2535.74  120.821  ?   ?  0.000000 120.8213 
1 1 1  -16   15    7 o  919.019  125.630   13.708   3.5205   13.708   3.5205   0.0000   0.0000  919.019  125.630  ?   ?  0.000000 125.6296 
1 1 1  -16   15    9 o  1095.63  172.125   19.893   5.7104   19.893   5.7104   0.0000   0.0000  1095.63  172.125  ?   ?  0.000000 172.1253 
1 1 1  -16   15   11 o  481.479  182.220   2.8514   3.7684   2.8514   3.7684   0.0000   0.0000  481.479  182.220  ?   ?  0.000000 182.2196 
1 1 1  -16   15   13 o  857.830  133.622   12.054   3.4723   13.071   4.8296   10.965   4.9958  879.990  181.305  800.631  199.890 79.35901 269.8654 
1 1 1  -16   15   15 o  939.142  181.648   14.873   5.1485   14.873   5.1485   0.0000   0.0000  939.142  181.648  ?   ?  0.000000 181.6476 
1 1 1  -16   15   17 o  480.754  178.412   3.0539   3.5759   3.0539   3.5759   0.0000   0.0000  480.754  178.412  ?   ?  0.000000 178.4122 
1 1 1  -16   15   19 o  1566.71  111.750   39.332   5.4463   41.272   7.6236   37.310   7.7833  1588.56  155.248  1504.18  168.127 84.37268 228.8419 
1 1 1  -16   15   21 o  1928.23  113.226   59.525   6.8063   54.537   9.5557   64.662   9.6970  1820.57  169.576  1990.25  156.872 -169.6846 231.0088 
1 1 1  -16   15   23 o  462.138  160.275   3.1790   2.8320   4.0878   3.9627   2.2303   4.0487  529.408  189.085  469.889  185.803 59.51865 265.0960 
1 1 1  -16   15   25 o  1547.44  105.883   38.288   5.0996   47.573   7.3870   29.834   7.0488  1713.42  138.880  1341.68  171.724 371.7445 220.8552 
1 1 1  -16   15   27 o  1853.44  111.652   55.011   6.4496   63.927   9.2335   46.516   9.0126  1981.29  149.944  1676.89  174.186 304.4072 229.8348 
1 1 1  -16   15   29 o  3908.89  153.742  248.620   18.818  268.501   26.682  228.946   26.542  3987.02  214.514  3657.09  233.000 329.9336 316.7099 
1 1 1  -16   15   31 o  1923.62  114.402   59.520   6.8598   58.057   9.8015   60.924   9.6039  1870.69  169.160  1921.57  161.102 -50.87463 233.6001 
1 1 1  -16   15   33 o  1032.32  122.250   17.411   3.8749   22.705   5.6560   12.729   5.3194  1165.32  159.168  851.155  202.525 314.1621 257.5862 
1 1 1  -16   15   35 o  2772.64  126.648  124.754   10.995  135.176   15.676  114.660   15.427  2834.03  177.546  2595.05  191.195 238.9817 260.9172 
1 1 1  -16   15   37 f  1000.34  124.380   16.492   3.8118   20.421   5.6429   13.194   5.1696  1092.76  170.480  862.779  195.837 229.9838 259.6446 
1 1 1  -16   15   39 o  328.253  144.168  -0.4175   2.8536  -1.0258   4.4730   0.0000   3.7057  396.240  176.906  383.747  166.479 12.49332 242.9216 
1 1 1  -16   15   41 o  2730.90  131.009  123.918   11.203  115.254   15.885  132.492   15.802  2530.11  202.195  2742.04  185.124 -211.9294 274.1416 
1 1 1  -16   15   43 o  1400.80  124.681   33.249   5.4117   26.578   7.9088   39.123   7.4210  1157.32  226.351  1482.59  162.517 -325.2738 278.6514 
1 1 1  -16   15   45 o  2610.88  135.576  120.277   11.046  111.376   15.694  129.015   15.549  2314.15  219.194  2554.03  195.919 -239.8777 293.9905 
1 1 1  -16   15   47 o  2163.20  130.336   84.748   8.7871   76.275   12.410   93.267   12.444  1842.35  219.438  2117.55  189.682 -275.2004 290.0551 
1 1 1  -16   15   49 o  639.664  180.852   9.2344   3.7837   5.6235   5.3857   12.754   5.3169  487.293  205.736  696.527  218.803 -209.2345 300.3362 
1 1 1  -16   15   51 o  439.069  175.676   4.5782   3.6602   1.7929   5.3862   6.9680   4.9891  390.099  181.557  490.823  201.855 -100.7236 271.4933 
1 1 1  -16   15   53 o  678.563  245.056   19.114   6.6751   19.114   6.6751   0.0000   0.0000  678.563  245.056  ?   ?  0.000000 245.0563 
1 1 1  -16   15   55 o  335.519  155.076   2.2880   3.8277  -0.9232   5.2876   5.8233   5.5481  310.952  153.158  388.237  181.860 -77.28549 237.7614 
1 1 1  -16   16    2 o  191.056   95.390  -6.2045   2.3346  -9.8868   3.2495  -2.2758   3.3565  213.867  107.569  320.954  147.203 -107.0865 182.3175 
1 1 1  -16   16    4 o  1135.58  122.770   20.760   4.2959   22.057   6.0385   19.430   6.1129  1156.43  171.997  1078.86  187.773 77.56458 254.6407 
1 1 1  -16   16    6 o  829.133  142.376   11.301   3.5632   15.763   4.9565   6.5294   5.1261  975.087  168.428  643.209  215.807 331.8779 273.7523 
1 1 1  -16   16    8 o  610.817  162.339   6.2320   3.1581   6.3633   4.4152   6.0944   4.5189  626.407  199.696  617.877  202.457 8.529846 284.3723 
1 1 1  -16   16   10 o  364.546  157.248  -0.1987   3.2684  -0.1987   3.2684   0.0000   0.0000  364.546  157.248  ?   ?  0.000000 157.2483 
1 1 1  -16   16   12 o  1034.56  180.080   17.856   5.6217   17.856   5.6217   0.0000   0.0000  1034.56  180.080  ?   ?  0.000000 180.0799 
1 1 1  -16   16   14 o  1304.21  165.938   27.925   6.6231   27.925   6.6231   0.0000   0.0000  1304.21  165.938  ?   ?  0.000000 165.9378 
1 1 1  -16   16   16 o  1662.03  162.082   45.045   8.3277   45.045   8.3277   0.0000   0.0000  1662.03  162.082  ?   ?  0.000000 162.0816 
1 1 1  -16   16   18 o  1270.42  168.143   26.564   6.5244   26.564   6.5244   0.0000   0.0000  1270.42  168.143  ?   ?  0.000000 168.1430 
1 1 1  -16   16   20 o  1815.65  164.706   53.742   9.2621   53.742   9.2621   0.0000   0.0000  1815.65  164.706  ?   ?  0.000000 164.7063 
1 1 1  -16   16   22 o  907.542  133.016   13.439   3.6678   15.431   5.0148   11.149   5.3783  961.792  172.871  806.903  210.615 154.8887 272.4759 
1 1 1  -16   16   24 o  745.050  151.830   9.2511   3.4219   7.0078   4.7519   11.667   4.9316  652.870  207.069  827.891  193.684 -175.0208 283.5327 
1 1 1  -16   16   26 o  1522.14  115.922   37.141   5.4835   35.583   7.7240   38.725   7.7861  1469.80  171.027  1536.86  164.344 -67.05872 237.1902 
1 1 1  -16   16   28 o  2003.59  117.165   64.334   7.3186   69.585   10.327   59.037   10.373  2063.30  161.123  1891.17  177.238 172.1360 239.5292 
1 1 1  -16   16   30 o  1995.27  117.357   63.944   7.2998   61.611   10.302   66.297   10.346  1930.70  172.208  2006.85  166.129 -76.14954 239.2794 
1 1 1  -16   16   32 o  1590.37  117.072   40.786   5.7890   39.112   8.1716   42.473   8.2023  1531.12  173.507  1600.17  166.123 -69.05640 240.2114 
1 1 1  -16   16   34 o  455.484  167.614   2.8604   3.1440   0.7449   4.3683   5.1341   4.5285  437.708  185.071  574.020  202.441 -136.3118 274.2871 
1 1 1  -16   16   36 o  815.195  153.726   11.251   3.7801   0.3819   5.2896   22.594   5.4039  464.752  200.260  1163.83  151.907 -699.0828 251.3560 
1 1 1  -16   16   38 o  3306.97  142.154  180.106   14.720  184.821   20.875  175.443   20.759  3258.97  205.622  3167.41  210.509 91.55615 294.2692 
1 1 1  -16   16   40 o  3551.34  231.078  232.075   25.556  232.075   25.556   0.0000   0.0000  3551.34  231.078  ?   ?  0.000000 231.0784 
1 1 1  -16   16   42 o  1515.76  122.387   38.568   5.7592   32.880   8.1474   44.248   8.1421  1325.71  202.712  1580.09  167.100 -254.3835 262.7060 
1 1 1  -16   16   44 o  2689.60  135.582  126.151   11.382  133.425   16.219  119.093   15.976  2616.73  199.445  2444.54  210.780 172.1855 290.1834 
1 1 1  -16   16   46 o  309.808  143.491  -1.4716   3.3024  -2.6551   4.5332  -0.1332   4.8207  341.953  161.480  392.596  178.666 -50.64337 240.8263 
1 1 1  -16   16   48 o  893.840  164.619   16.101   4.4376   6.8212   6.3526   24.945   6.2017  529.493  223.491  1077.09  190.871 -547.5948 293.9043 
1 1 1  -16   16   50 o  551.196  189.343   7.4870   3.9478   5.7017   5.3416   9.6359   5.8604  477.835  203.453  564.797  223.475 -86.96222 302.2156 
1 1 1  -16   16   52 o  1541.24  143.253   49.380   6.8343   44.033   9.6103   54.850   9.7209  1123.80  275.283  1384.65  232.444 -260.8539 360.2924 
1 1 1  -16   16   54 o  1181.63  162.786   33.323   5.8631   35.125   8.1629   31.404   8.4268  925.986  266.902  789.171  276.316 136.8149 384.1711 
1 1 1  -16   17    3 o  957.431  140.499   14.917   4.0868   13.742   5.9045   15.998   5.6623  900.253  212.818  978.114  191.733 -77.86090 286.4492 
1 1 1  -16   17    5 o  1190.12  172.828   23.252   6.2523   0.0000   0.0000   23.252   6.2523  ?   ?   1190.12  172.828 0.000000 172.8280 
1 1 1  -16   17    7 o  278.571  129.190  -2.2659   2.6897  -1.0483   3.7329  -3.5804   3.8788  369.973  163.589  327.795  153.064 42.17798 224.0309 
1 1 1  -16   17    9 o  1917.71  116.175   58.561   6.9432   60.355   9.8051   56.757   9.8332  1931.29  163.679  1870.13  169.772 61.15405 235.8245 
1 1 1  -16   17   11 o  637.913  164.537   6.7887   3.3081   4.0783   4.5814   9.7412   4.7817  550.835  202.390  759.856  198.715 -209.0211 283.6360 
1 1 1  -16   17   13 o  800.992  190.262   10.811   4.7012   10.811   4.7012   0.0000   0.0000  800.992  190.262  ?   ?  0.000000 190.2619 
1 1 1  -16   17   15 o  726.171  156.592   8.7704   3.4559   4.1186   4.8449   13.589   4.9309  559.637  207.673  901.919  180.893 -342.2819 275.4091 
1 1 1  -16   17   17 o  1910.97  165.287   59.169   9.7929   59.169   9.7929   0.0000   0.0000  1910.97  165.287  ?   ?  0.000000 165.2867 
1 1 1  -16   17   19 o  803.543  200.614   10.930   5.0321   10.930   5.0321   0.0000   0.0000  803.543  200.614  ?   ?  0.000000 200.6141 
1 1 1  -16   17   21 o  2347.91  173.240   89.525   12.646   89.525   12.646   0.0000   0.0000  2347.91  173.240  ?   ?  0.000000 173.2399 
1 1 1  -16   17   23 o  1250.22  168.570   25.663   6.4308   25.663   6.4308   0.0000   0.0000  1250.22  168.570  ?   ?  0.000000 168.5699 
1 1 1  -16   17   25 o  384.095  169.906  -1.0716   4.0310  -1.0716   4.0310   0.0000   0.0000  384.095  169.906  ?   ?  0.000000 169.9060 
1 1 1  -16   17   27 o  906.992  194.086   13.983   5.3455   13.983   5.3455   0.0000   0.0000  906.992  194.086  ?   ?  0.000000 194.0860 
1 1 1  -16   17   29 o  951.568  197.933   15.467   5.7055   15.467   5.7055   0.0000   0.0000  951.568  197.933  ?   ?  0.000000 197.9332 
1 1 1  -16   17   31 o  1577.30  165.677   41.039   8.0604   41.039   8.0604   0.0000   0.0000  1577.30  165.677  ?   ?  0.000000 165.6769 
1 1 1  -16   17   33 o  2878.47  132.083  133.672   11.905  139.851   16.827  127.479   16.845  2897.18  186.482  2756.56  196.443 140.6177 270.8600 
1 1 1  -16   17   35 o  2105.64  121.576   71.629   7.9818   69.208   11.163   74.161   11.418  2035.08  176.932  2108.88  174.473 -73.79370 248.4864 
1 1 1  -16   17   37 o  3805.72  156.006  239.571   18.591  254.291   26.290  224.849   26.293  3815.29  221.006  3559.22  237.278 256.0732 324.2600 
1 1 1  -16   17   39 o  1214.81  136.037   24.631   5.0858   26.637   6.9240   22.281   7.4948  1233.32  184.998  1098.66  225.418 134.6604 291.6121 
1 1 1  -16   17   41 o  2754.29  135.083  127.626   11.650  119.004   16.406  136.397   16.546  2536.89  208.370  2744.69  193.773 -207.7986 284.5450 
1 1 1  -16   17   43 o  1320.40  137.437   30.334   5.5991   31.952   7.7198   28.537   8.1328  1292.12  197.039  1185.66  227.333 106.4664 300.8402 
1 1 1  -16   17   45 o  567.670  217.270   6.6437   5.3957   6.6437   5.3957   0.0000   0.0000  567.670  217.270  ?   ?  0.000000 217.2699 
1 1 1  -16   17   47 o  1640.66  134.540   49.061   6.8509   47.170   9.5681   51.051   9.8139  1462.94  215.313  1532.02  210.113 -69.07922 300.8436 
1 1 1  -16   17   49 o  995.861  179.598   21.129   5.3944   23.991   7.2957   17.678   8.0120  948.544  244.186  724.439  267.410 224.1055 362.1253 
1 1 1  -16   17   51 o  1712.49  140.871   58.475   7.4868   47.524   10.101   71.822   11.152  1245.53  267.027  1674.51  217.858 -428.9752 344.6235 
1 1 1  -16   17   53 o  1737.66  149.380   65.462   8.0488   54.966   10.946   77.818   11.876  1162.83  298.962  1558.05  252.044 -395.2104 391.0299 
1 1 1  -16   18    2 f  762.645  160.742   9.6240   3.7175   12.741   5.3786   6.7734   5.1440  871.869  201.116  657.129  216.040 214.7397 295.1625 
1 1 1  -16   18    4 o  544.008  172.680   4.6769   3.3041   9.0959   4.8218   0.7649   4.5367  738.452  202.475  455.142  190.292 283.3097 277.8618 
1 1 1  -16   18    6 o  426.880  183.173  -0.1082   4.3908   0.0000   0.0000  -0.1082   4.3908  ?   ?   426.880  183.173 0.000000 183.1730 
1 1 1  -16   18    8 o  523.760  173.858   4.1998   3.3284   3.4171   4.6113   5.0510   4.8091  532.878  201.594  591.395  208.613 -58.51727 290.1025 
1 1 1  -16   18   10 o  574.037  172.545   5.3435   3.3524   6.0590   4.6967   4.6003   4.7865  623.846  206.498  575.775  207.578 48.07031 292.7969 
1 1 1  -16   18   12 o  1014.40  189.861   17.085   5.8089   17.085   5.8089   0.0000   0.0000  1014.40  189.861  ?   ?  0.000000 189.8611 
1 1 1  -16   18   14 o  294.416  135.417  -2.1103   2.8683  -1.3266   3.8428  -3.0962   4.3101  370.398  164.768  360.740  165.950 9.658722 233.8545 
1 1 1  -16   18   16 f  1658.84  118.843   43.825   6.1321   47.315   8.4916   40.021   8.8645  1712.48  160.224  1566.11  184.291 146.3707 244.2024 
1 1 1  -16   18   18 o  1327.89  172.357   28.775   6.9975   28.775   6.9975   0.0000   0.0000  1327.89  172.357  ?   ?  0.000000 172.3571 
1 1 1  -16   18   20 o  2095.20  173.717   71.128   11.294   0.0000   0.0000   71.128   11.294  ?   ?   2095.20  173.717 0.000000 173.7167 
1 1 1  -16   18   22 o  870.835  204.384   12.837   5.4774   12.837   5.4774   0.0000   0.0000  870.835  204.384  ?   ?  0.000000 204.3836 
1 1 1  -16   18   24 o  804.188  157.780   10.735   3.8312   18.358   5.0762   0.6472   5.8398  1057.85  158.100  503.261  213.451 554.5868 265.6257 
1 1 1  -16   18   26 o  2459.36  178.662   98.736   13.665   98.736   13.665   0.0000   0.0000  2459.36  178.662  ?   ?  0.000000 178.6621 
1 1 1  -16   18   28 o  2971.08  192.896  145.336   17.848  145.336   17.848   0.0000   0.0000  2971.08  192.896  ?   ?  0.000000 192.8964 
1 1 1  -16   18   30 o  1731.83  171.366   49.292   9.1709   49.292   9.1709   0.0000   0.0000  1731.83  171.366  ?   ?  0.000000 171.3662 
1 1 1  -16   18   32 o  1197.08  190.686   24.155   6.9078   24.155   6.9078   0.0000   0.0000  1197.08  190.686  ?   ?  0.000000 190.6865 
1 1 1  -16   18   34 o  2509.01  183.204  104.781   14.294  104.781   14.294   0.0000   0.0000  2509.01  183.204  ?   ?  0.000000 183.2038 
1 1 1  -16   18   36 o  2036.40  176.984   69.662   11.173   69.662   11.173   0.0000   0.0000  2036.40  176.984  ?   ?  0.000000 176.9838 
1 1 1  -16   18   38 o  1615.32  181.256   45.003   9.0097   45.003   9.0097   0.0000   0.0000  1615.32  181.256  ?   ?  0.000000 181.2557 
1 1 1  -16   18   40 o  2314.18  190.896   95.718   13.709   95.718   13.709   0.0000   0.0000  2314.18  190.896  ?   ?  0.000000 190.8959 
1 1 1  -16   18   42 o  1209.51  206.706   28.025   7.5473   28.025   7.5473   0.0000   0.0000  1209.51  206.706  ?   ?  0.000000 206.7055 
1 1 1  -16   18   44 o  863.175  184.775   14.437   4.8434   16.302   6.3980   11.933   7.4125  869.391  231.067  712.165  258.077 157.2266 346.4037 
1 1 1  -16   18   46 o  942.148  178.945   17.549   5.0860   22.991   6.6448   9.8522   7.9031  1039.91  211.274  626.035  255.359 413.8705 331.4290 
1 1 1  -16   18   48 o  815.322  201.936   14.821   5.1285   12.927   6.7519   17.403   7.8847  681.867  246.430  761.365  267.241 -79.49872 363.5177 
1 1 1  -16   18   50 o  933.955  188.798   19.496   5.3314   21.382   6.8391   16.574   8.5120  882.749  240.768  662.411  266.887 220.3379 359.4410 
1 1 1  -16   18   52 o  516.791  204.515   7.8934   4.9089   7.5759   6.3096   8.3802   7.8134  486.835  214.083  486.276  223.603 0.5594482 309.5637 
1 1 1  -16   19    1 o  1805.97  122.648   51.808   6.8946   57.458   9.7229   46.093   9.7782  1891.54  165.832  1686.19  188.419 205.3500 251.0020 
1 1 1  -16   19    3 o  1105.55  138.889   19.675   4.7019   15.149   6.6019   24.334   6.6980  949.341  225.447  1221.12  180.625 -271.7808 288.8796 
1 1 1  -16   19    5 o  826.716  165.796   11.271   4.1425   16.785   5.8342   5.6632   5.8830  1007.26  191.988  638.396  230.132 368.8608 299.7002 
1 1 1  -16   19    7 o  783.214  162.287   10.125   3.8492   8.4764   5.5781   11.623   5.3183  722.883  223.632  833.562  205.147 -110.6790 303.4737 
1 1 1  -16   19    9 o  1039.70  202.863   17.963   6.3672   0.0000   0.0000   17.963   6.3672  ?   ?   1039.70  202.863 0.000000 202.8631 
1 1 1  -16   19   11 o  275.759  129.862  -3.1412   2.8948  -3.6000   4.1343  -2.6999   4.0547  343.050  159.461  354.738  162.363 -11.68747 227.5735 
1 1 1  -16   19   13 f  561.958  214.050   3.7036   5.2212   0.0000   0.0000   3.7036   5.2212  ?   ?   561.958  214.050 0.000000 214.0502 
1 1 1  -16   19   15 o  1079.68  190.679   19.265   6.2106   19.265   6.2106   0.0000   0.0000  1079.68  190.679  ?   ?  0.000000 190.6792 
1 1 1  -16   19   17 o  1789.27  119.563   50.915   6.6601   45.111   9.1854   57.348   9.6709  1667.47  178.708  1886.59  165.378 -219.1219 243.4886 
1 1 1  -16   19   19 f  2153.57  178.246   75.038   11.912   0.0000   0.0000   75.038   11.912  ?   ?   2153.57  178.246 0.000000 178.2461 
1 1 1  -16   19   21 o  641.590  186.523   6.7931   3.9713   3.4896   5.0944   11.910   6.3405  549.560  210.930  838.548  233.077 -288.9875 314.3504 
1 1 1  -16   19   23 o  1203.63  121.979   23.235   4.5337   22.550   6.3976   23.925   6.4257  1169.39  180.533  1206.91  175.147 -37.51282 251.5325 
1 1 1  -16   19   25 o  322.774  146.692  -1.8554   3.2356   2.9431   4.5780  -6.6454   4.5738  514.800  199.315  320.999  154.466 193.8011 252.1627 
1 1 1  -16   19   27 o  649.765  213.252   6.7619   5.0129   6.7619   5.0129   0.0000   0.0000  649.765  213.252  ?   ?  0.000000 213.2516 
1 1 1  -16   19   29 o  2069.26  124.410   68.527   8.0235   78.734   11.197   57.753   11.503  2201.60  163.587  1866.86  199.894 334.7469 258.2992 
1 1 1  -16   19   31 o  1199.69  194.155   24.187   7.0443   24.187   7.0443   0.0000   0.0000  1199.69  194.155  ?   ?  0.000000 194.1548 
1 1 1  -16   19   33 o  2251.31  125.424   81.580   8.8066   82.973   12.287   80.107   12.629  2241.04  176.521  2195.93  185.406 45.11694 255.9975 
1 1 1  -16   19   35 o  318.438  153.212  -6.2129   4.4959  -6.2129   4.4959   0.0000   0.0000  318.438  153.212  ?   ?  0.000000 153.2119 
1 1 1  -16   19   37 o  3420.31  221.385  207.465   23.583  207.465   23.583   0.0000   0.0000  3420.31  221.385  ?   ?  0.000000 221.3848 
1 1 1  -16   19   39 o  522.720  213.338   3.1723   5.5200   3.1723   5.5200   0.0000   0.0000  522.720  213.338  ?   ?  0.000000 213.3380 
1 1 1  -16   19   41 o  1034.36  236.958   21.398   7.5099   21.398   7.5099   0.0000   0.0000  1034.36  236.958  ?   ?  0.000000 236.9583 
1 1 1  -16   19   43 o  572.941  222.979   5.9894   5.7525   5.9894   5.7525   0.0000   0.0000  572.941  222.979  ?   ?  0.000000 222.9790 
1 1 1  -16   19   45 o  688.559  244.440   11.057   6.6129   11.057   6.6129   0.0000   0.0000  688.559  244.440  ?   ?  0.000000 244.4402 
1 1 1  -16   19   47 o  550.185  227.700   6.5326   6.4021   6.5326   6.4021   0.0000   0.0000  550.185  227.700  ?   ?  0.000000 227.7003 
1 1 1  -16   19   49 o  436.563  199.109   1.8422   6.0284   1.8422   6.0284   0.0000   0.0000  436.563  199.109  ?   ?  0.000000 199.1085 
1 1 1  -16   19   51 o  757.121  259.705   19.311   7.4257   19.311   7.4257   0.0000   0.0000  757.121  259.705  ?   ?  0.000000 259.7051 
1 1 1  -16   20    2 o  519.285  192.045   3.4222   4.1362   0.6242   5.8433   6.2322   5.8557  508.635  214.498  655.948  230.300 -147.3130 314.7185 
1 1 1  -16   20    4 o  2019.42  124.575   64.690   7.8388   83.765   11.227   46.549   10.949  2290.60  157.493  1689.27  211.642 601.3274 263.8111 
1 1 1  -16   20    6 o  1072.59  147.461   18.580   4.8215   23.554   6.7606   13.431   6.8783  1200.68  185.824  894.933  240.363 305.7434 303.8166 
1 1 1  -16   20    8 o  745.380  185.690   9.2293   4.3179   13.570   6.2212   5.1942   5.9979  899.849  222.132  628.511  231.477 271.3387 320.8183 
1 1 1  -16   20   10 o  616.821  222.352   5.2477   5.4919   0.0000   0.0000   5.2477   5.4919  ?   ?   616.821  222.352 0.000000 222.3517 
1 1 1  -16   20   12 o  1394.45  182.459   31.606   7.7757   31.606   7.7757   0.0000   0.0000  1394.45  182.459  ?   ?  0.000000 182.4587 
1 1 1  -16   20   14 o  1127.73  143.626   20.506   4.9566   26.679   7.0670   14.529   6.9538  1279.06  181.547  927.915  238.136 351.1474 299.4464 
1 1 1  -16   20   16 o  1495.11  127.756   35.660   5.9235   33.101   8.4137   38.175   8.3411  1422.79  193.904  1534.78  176.795 -111.9872 262.4033 
1 1 1  -16   20   18 o  553.495  222.035   2.6056   5.8635   0.0000   0.0000   2.6056   5.8635  ?   ?   553.495  222.035 0.000000 222.0347 
1 1 1  -16   20   20 o  515.535  188.120   3.5407   3.9484   2.1360   5.1206   5.6006   6.2010  514.320  207.079  642.094  235.531 -127.7749 313.6181 
1 1 1  -16   20   22 o  1596.01  119.135   40.581   5.9108   44.675   8.5386   36.814   8.1906  1661.94  166.312  1503.73  177.365 158.2035 243.1420 
1 1 1  -16   20   24 f  1645.23  119.410   43.145   6.1096   44.880   8.8345   41.555   8.4584  1662.60  172.194  1599.44  171.570 63.15967 243.0780 
1 1 1  -16   20   26 o  2309.83  121.662   84.962   8.7684   96.630   12.578   73.929   12.230  2446.87  165.128  2130.43  185.181 316.4355 248.1112 
1 1 1  -16   20   28 o  2318.49  124.409   85.796   8.9988   81.199   12.841   90.231   12.615  2229.47  185.626  2357.66  172.063 -128.1924 253.1064 
1 1 1  -16   20   30 o  769.775  231.138   10.068   6.0181   10.068   6.0181   0.0000   0.0000  769.775  231.138  ?   ?  0.000000 231.1382 
1 1 1  -16   20   32 o  1725.99  179.148   49.332   9.5410   49.332   9.5410   0.0000   0.0000  1725.99  179.148  ?   ?  0.000000 179.1479 
1 1 1  -16   20   34 o  1165.43  154.768   22.578   5.5082   24.893   7.2620   19.442   8.4523  1202.89  199.814  1029.43  261.658 173.4545 329.2270 
1 1 1  -16   20   36 o  936.428  180.059   15.230   5.0879   15.392   6.6073   14.993   7.9748  915.891  230.552  887.939  265.952 27.95203 351.9729 
1 1 1  -16   20   38 o  2735.52  138.575  124.568   11.831  123.924   16.321  125.281   17.175  2647.96  198.282  2645.98  208.996 1.973145 288.0889 
1 1 1  -16   20   40 o  372.727  169.410  -1.5440   4.3168  -2.2534   5.3884  -0.2730   7.2127  405.103  186.060  496.783  223.011 -91.67932 290.4348 
1 1 1  -16   20   42 o  1387.74  147.211   33.538   6.2992   29.875   8.2777   38.577   9.7094  1235.01  222.223  1396.43  230.068 -161.4169 319.8658 
1 1 1  -16   20   44 o  1026.58  247.408   22.937   7.8594   22.937   7.8594   0.0000   0.0000  1026.58  247.408  ?   ?  0.000000 247.4080 
1 1 1  -16   20   46 o  1078.74  249.439   26.682   8.2574   26.682   8.2574   0.0000   0.0000  1078.74  249.439  ?   ?  0.000000 249.4394 
1 1 1  -16   20   48 o  323.597  159.141  -7.4555   5.6357  -7.4555   5.6357   0.0000   0.0000  323.597  159.141  ?   ?  0.000000 159.1406 
1 1 1  -16   21    1 o  916.970  243.368   14.083   7.1038   0.0000   0.0000   14.083   7.1038  ?   ?   916.970  243.368 0.000000 243.3681 
1 1 1  -16   21    3 o  746.955  246.449   8.7019   6.6918   0.0000   0.0000   8.7019   6.6918  ?   ?   746.955  246.449 0.000000 246.4487 
1 1 1  -16   21    5 o  378.989  168.100  -1.3260   3.9718  -1.3013   5.5495  -1.3518   5.6869  456.948  200.860  462.077  203.218 -5.128906 285.7316 
1 1 1  -16   21    7 o  369.561  172.087  -4.3615   4.8490   0.0000   0.0000  -4.3615   4.8490  ?   ?   369.561  172.087 0.000000 172.0873 
1 1 1  -16   21   11 o  373.160  174.133  -4.6415   5.0071  -4.6415   5.0071   0.0000   0.0000  373.160  174.133  ?   ?  0.000000 174.1329 
1 1 1  -16   21   13 f  646.941  233.764   5.7650   6.0753   0.0000   0.0000   5.7650   6.0753  ?   ?   646.941  233.764 0.000000 233.7644 
1 1 1  -16   21   15 o  1101.35  151.900   19.619   5.0990   12.613   6.9028   28.032   7.5648  868.317  243.846  1310.31  189.912 -441.9899 309.0757 
1 1 1  -16   21   19 o  817.788  186.195   11.137   4.6610   1.5815   6.5685   20.828   6.6150  555.401  230.314  1123.44  195.126 -568.0364 301.8588 
1 1 1  -16   21   21 o  2370.60  126.877   89.284   9.3839   93.572   13.195   84.897   13.348  2411.07  175.995  2291.70  187.652 119.3679 257.2698 
1 1 1  -16   21   23 o  1123.71  146.590   20.428   5.0351   21.328   7.4729   19.679   6.8140  1128.26  219.426  1086.03  207.948 42.23047 302.3083 
1 1 1  -16   21   25 o  1525.49  185.196   38.020   8.6648   38.020   8.6648   0.0000   0.0000  1525.49  185.196  ?   ?  0.000000 185.1960 
1 1 1  -16   21   27 o  1031.18  219.437   18.036   6.8678   18.036   6.8678   0.0000   0.0000  1031.18  219.437  ?   ?  0.000000 219.4373 
1 1 1  -16   21   29 o  1750.02  128.151   49.122   6.9735   57.638   10.792   43.017   9.1373  1872.57  186.538  1616.57  183.777 255.9930 261.8601 
1 1 1  -16   21   31 o  371.864  174.318  -4.7267   5.1134  -4.7267   5.1134   0.0000   0.0000  371.864  174.318  ?   ?  0.000000 174.3175 
1 1 1  -16   21   33 o  676.048  194.897   7.8692   4.3523   1.2525   6.3703   13.661   5.9602  525.353  222.885  879.861  217.561 -354.5086 311.4647 
1 1 1  -16   21   35 o  929.576  238.950   15.875   6.9934   15.875   6.9934   0.0000   0.0000  929.576  238.950  ?   ?  0.000000 238.9501 
1 1 1  -16   21   37 o  1690.77  192.096   49.939   9.9894   49.939   9.9894   0.0000   0.0000  1690.77  192.096  ?   ?  0.000000 192.0956 
1 1 1  -16   21   39 o  592.842  232.340   5.3633   6.2790   5.3633   6.2790   0.0000   0.0000  592.842  232.340  ?   ?  0.000000 232.3403 
1 1 1  -16   21   41 o  493.237  201.768   2.9140   4.9517  -1.5427   6.1699   10.980   8.3004  441.979  201.522  730.881  271.703 -288.9022 338.2803 
1 1 1  -16   21   43 o  549.659  225.930   4.5647   6.2459   4.5647   6.2459   0.0000   0.0000  549.659  225.930  ?   ?  0.000000 225.9295 
1 1 1  -16   21   45 o  1610.21  154.268   46.748   7.6830   42.906   9.7971   52.884   12.382  1445.94  223.602  1532.95  267.697 -87.01086 348.7972 
1 1 1  -16   21   47 o  588.291  225.379   7.6510   5.8095   5.6644   7.2167   11.309   9.7925  547.224  234.824  647.069  275.490 -99.84473 361.9899 
1 1 1  -16   22    2 o  607.095  242.833   3.1219   6.9912   0.0000   0.0000   3.1219   6.9912  ?   ?   607.095  242.833 0.000000 242.8327 
1 1 1  -16   22    4 o  442.405  202.030  -3.9500   6.2315   0.0000   0.0000  -3.9500   6.2315  ?   ?   442.405  202.030 0.000000 202.0298 
1 1 1  -16   22    6 o  523.872  227.577  -0.8635   6.9435   0.0000   0.0000  -0.8635   6.9435  ?   ?   523.872  227.577 0.000000 227.5767 
1 1 1  -16   22   12 o  891.115  191.993   13.151   5.1991   8.4440   7.4872   17.533   7.2250  752.961  260.636  1024.11  230.830 -271.1447 348.1572 
1 1 1  -16   22   14 o  1045.37  238.708   18.325   7.6420   0.0000   0.0000   18.325   7.6420  ?   ?   1045.37  238.708 0.000000 238.7084 
1 1 1  -16   22   18 o  832.021  191.631   11.511   4.8895   16.090   6.7064   6.3156   7.1439  980.153  223.475  687.364  252.704 292.7896 337.3431 
1 1 1  -16   22   20 o  422.438  192.798  -3.4978   5.6645  -3.4978   5.6645   0.0000   0.0000  422.438  192.798  ?   ?  0.000000 192.7980 
1 1 1  -16   22   22 o  1496.74  136.495   35.831   6.3267   25.028   8.7072   47.913   9.2084  1221.14  236.259  1722.62  173.058 -501.4849 292.8612 
1 1 1  -16   22   24 o  328.030  156.166  -5.5157   4.4079 -16.0641   6.1211   5.8461   6.3527  309.144  154.365  652.331  238.529 -343.1867 284.1211 
1 1 1  -16   22   26 o  1962.36  129.107   61.508   7.8889   59.775   10.975   63.360   11.347  1914.50  185.402  1971.28  186.032 -56.77747 262.6438 
1 1 1  -16   22   28 o  1732.36  139.550   48.347   7.5056   43.978   11.213   51.895   10.103  1614.46  228.156  1777.16  184.232 -162.6998 293.2517 
1 1 1  -16   22   30 o  616.945  255.443   2.9315   8.0623   2.9315   8.0623   0.0000   0.0000  616.945  255.443  ?   ?  0.000000 255.4429 
1 1 1  -16   22   32 o  260.672  128.456  -7.7284   3.7346  -3.2253   5.4460 -11.7260   5.1312  408.030  187.274  294.134  145.951 113.8962 237.4299 
1 1 1  -16   22   34 o  1222.23  150.135   24.838   5.6250   21.994   8.0722   27.523   7.8428  1101.32  240.791  1257.04  206.420 -155.7203 317.1588 
1 1 1  -16   22   36 o  2031.55  129.984   67.685   8.2253   69.919   11.752   65.540   11.516  2016.11  188.337  1948.97  191.171 67.13623 268.3601 
1 1 1  -16   22   38 o  1290.53  235.535   31.057   9.1672   31.057   9.1672   0.0000   0.0000  1290.53  235.535  ?   ?  0.000000 235.5351 
1 1 1  -16   22   40 o  1570.31  139.572   41.635   6.7912   34.789   9.6524   48.345   9.5568  1347.88  237.372  1645.56  188.897 -297.6797 303.3602 
1 1 1  -16   22   44 o  1039.39  260.921   23.668   8.4791   23.668   8.4791   0.0000   0.0000  1039.39  260.921  ?   ?  0.000000 260.9208 
1 1 1  -16   22   46 f  890.867  269.173   19.353   8.1430   19.353   8.1430   0.0000   0.0000  890.867  269.173  ?   ?  0.000000 269.1735 
1 1 1  -16   23    1 o  575.448  244.832   0.3191   7.7249   0.0000   0.0000   0.3191   7.7249  ?   ?   575.448  244.832 0.000000 244.8322 
1 1 1  -16   23    3 o  755.526  230.185   9.2080   5.9368   4.1124   8.7874   13.487   8.0526  683.182  272.594  905.119  266.312 -221.9371 381.0896 
1 1 1  -16   23    5 o  907.815  205.706   13.657   5.7121   11.663   8.4938   15.304   7.7180  857.763  277.350  957.700  253.430 -99.93610 375.6987 
1 1 1  -16   23    7 o  690.900  222.972   7.4590   5.4916   19.690   7.7492  -4.8808   7.7836  1087.89  234.402  494.444  225.793 593.4450 325.4639 
1 1 1  -16   23   11 o  411.413  194.939  -7.8632   6.7119   0.0000   0.0000  -7.8632   6.7119  ?   ?   411.413  194.939 0.000000 194.9393 
1 1 1  -16   23   13 o  1168.10  246.550   22.793   8.7345   0.0000   0.0000   22.793   8.7345  ?   ?   1168.10  246.550 0.000000 246.5498 
1 1 1  -16   23   15 o  2007.65  191.938   64.896   11.919   0.0000   0.0000   64.896   11.919  ?   ?   2007.65  191.938 0.000000 191.9380 
1 1 1  -16   23   17 o  783.234  271.020   9.2124   8.0954   0.0000   0.0000   9.2124   8.0954  ?   ?   783.234  271.020 0.000000 271.0200 
1 1 1  -16   23   19 o  1117.87  247.449   21.054   8.4326   21.054   8.4326   0.0000   0.0000  1117.87  247.449  ?   ?  0.000000 247.4493 
1 1 1  -16   23   21 o  985.773  259.246   16.507   8.1089   16.507   8.1089   0.0000   0.0000  985.773  259.246  ?   ?  0.000000 259.2465 
1 1 1  -16   23   23 o  657.965  217.682   6.7811   5.2194   5.4149   7.2720   8.2326   7.4959  663.369  252.629  740.616  260.534 -77.24725 362.9043 
1 1 1  -16   23   25 o  2373.84  188.230   91.793   13.877   91.793   13.877   0.0000   0.0000  2373.84  188.230  ?   ?  0.000000 188.2301 
1 1 1  -16   23   27 o  714.563  231.180   8.3794   5.9006   7.4508   8.6750   9.1789   8.0495  733.766  276.767  765.362  269.903 -31.59607 386.5846 
1 1 1  -16   23   29 o  1441.54  163.894   34.142   7.2663   35.961   10.613   32.536   9.9697  1441.39  243.839  1371.07  241.019 70.31482 342.8527 
1 1 1  -16   23   31 o  292.481  145.462 -12.4426   5.2132 -11.9185   7.8704 -12.8522   6.9585  406.995  197.491  363.825  178.501 43.16943 266.2053 
1 1 1  -16   23   33 o  918.872  210.766   14.861   5.9352   18.072   8.7901   12.170   8.0463  985.528  274.609  823.256  270.177 162.2718 385.2345 
1 1 1  -16   23   37 o  1636.03  139.189   44.390   7.0627   50.204   10.110   38.849   9.8702  1698.15  193.601  1470.01  221.292 228.1376 294.0264 
1 1 1  -16   23   39 o  436.941  190.232   0.2507   4.8729   0.1875   6.9666   0.3113   6.8185  506.424  223.724  504.066  222.076 2.357300 315.2300 
1 1 1  -16   23   41 o  389.825  177.711  -1.7812   4.7954  -6.1498   6.7990   2.5432   6.7645  406.635  193.688  535.594  228.521 -128.9594 299.5613 
1 1 1  -16   23   43 o  585.630  217.790   6.1478   5.3342   4.3194   7.5501   7.9701   7.5373  573.597  242.960  649.699  254.576 -76.10199 351.9066 
1 1 1  -16   24    2 o  1121.31  224.698   20.805   7.6145   28.766   12.993   16.641   9.3972  1301.17  320.919  999.851  285.828 301.3227 429.7516 
1 1 1  -16   24    4 f  1017.73  228.066   17.218   7.0879   25.040   11.060   11.766   9.2333  1218.29  293.414  870.022  289.608 348.2634 412.2672 
1 1 1  -16   24    6 o  626.032  257.322   2.2860   8.1022   0.0000   0.0000   2.2860   8.1022  ?   ?   626.032  257.322 0.000000 257.3216 
1 1 1  -16   24    8 o  588.670  251.925  -0.0002   8.2658  -0.0002   8.2658   0.0000   0.0000  588.670  251.925  ?   ?  0.000000 251.9247 
1 1 1  -16   24   10 o  785.663  230.895   10.088   6.0563   4.7214   8.7607   15.001   8.3818  694.655  273.748  949.749  269.402 -255.0941 384.0778 
1 1 1  -16   24   12 o  1028.98  210.164   17.524   6.5426   23.127   9.5849   12.636   8.9526  1172.84  266.986  887.581  284.508 285.2595 390.1618 
1 1 1  -16   24   14 o  509.027  232.316  -5.0008   8.2246   0.0000   0.0000  -5.0008   8.2246  ?   ?   509.027  232.316 0.000000 232.3164 
1 1 1  -16   24   16 o  516.110  230.460  -2.7808   7.5944   0.0000   0.0000  -2.7808   7.5944  ?   ?   516.110  230.460 0.000000 230.4602 
1 1 1  -16   24   18 o  856.891  274.428   11.911   8.3309   0.0000   0.0000   11.911   8.3309  ?   ?   856.891  274.428 0.000000 274.4282 
1 1 1  -16   24   22 o  1126.49  267.277   21.838   9.2857   0.0000   0.0000   21.838   9.2857  ?   ?   1126.49  267.277 0.000000 267.2766 
1 1 1  -16   24   26 o  983.710  202.966   16.381   6.0444   23.252   8.0670   7.5858   9.1269  1166.84  228.969  746.214  283.298 420.6266 364.2591 
1 1 1  -16   24   28 o  1130.45  207.147   21.700   7.0622   26.490   10.522   17.773   9.5268  1217.37  281.634  996.374  288.672 220.9987 403.2973 
1 1 1  -16   24   30 o  892.960  301.902   14.020   10.033   14.020   10.033   0.0000   0.0000  892.960  301.902  ?   ?  0.000000 301.9020 
1 1 1  -16   24   32 o  826.029  297.275   11.624   9.8123   11.624   9.8123   0.0000   0.0000  826.029  297.275  ?   ?  0.000000 297.2745 
1 1 1  -16   24   34 o  507.730  220.407   0.2552   6.5036  -0.0002   9.7139   0.4627   8.7556  599.508  264.546  580.638  253.833 18.87018 366.6274 
1 1 1  -16   24   36 o  936.363  220.717   15.837   6.3657   19.644   8.3902   10.673   9.7718  1020.97  261.341  783.282  294.087 237.6869 393.4290 
1 1 1  -16   24   38 f  910.962  229.464   15.419   6.5420   17.569   9.0801   13.098   9.4335  939.257  284.342  823.231  291.984 116.0260 407.5595 
1 1 1  -16   24   40 f  351.583  169.137  -6.7481   5.4748  -4.6137   7.9849  -8.6416   7.5209  468.692  219.109  410.268  197.581 58.42389 295.0370 
1 1 1  -16   24   42 f  569.148  245.304   3.0920   7.9407   3.0920   7.9407   0.0000   0.0000  569.148  245.304  ?   ?  0.000000 245.3036 
1 1 1  -16   25    3 o  1222.69  298.286   25.341   11.319   25.341   11.319   0.0000   0.0000  1222.69  298.286  ?   ?  0.000000 298.2865 
1 1 1  -16   25    5 o  920.817  300.338   13.511   9.9488   13.511   9.9488   0.0000   0.0000  920.817  300.338  ?   ?  0.000000 300.3379 
1 1 1  -16   25    7 o  363.537  180.684 -19.4579   7.9902 -19.4579   7.9902   0.0000   0.0000  363.537  180.684  ?   ?  0.000000 180.6842 
1 1 1  -16   25    9 o  458.304  204.447  -2.2523   5.9610   7.5951   9.0176  -9.8953   7.9444  763.042  283.289  440.314  209.630 322.7276 352.4167 
1 1 1  -16   25   11 o  1061.17  219.971   18.715   7.0691   23.535   10.160   14.193   9.8418  1179.26  279.439  934.953  298.156 244.3016 408.6357 
1 1 1  -16   25   13 o  475.962  210.325  -1.7126   6.1613  -1.9340   8.8882  -1.5079   8.5484  576.377  253.759  571.256  250.243 5.120850 356.3920 
1 1 1  -16   25   15 o  702.123  241.934   7.3758   6.4477   12.937   9.1243   1.8293   9.1126  892.930  287.329  644.920  269.671 248.0107 394.0562 
1 1 1  -16   25   17 o  585.014  230.477   3.3656   6.2083   4.0707   8.7223   2.6415   8.8386  674.893  270.781  650.176  268.181 24.71735 381.1077 
1 1 1  -16   25   19 o  748.920  246.038   8.9152   6.6721   1.9734   8.8913   17.863   10.094  637.632  266.478  1021.45  297.496 -383.8156 399.3931 
1 1 1  -16   25   21 o  736.521  241.659   8.6733   6.4375   6.9885   8.2976   11.221   10.203  724.158  271.172  855.135  303.621 -130.9762 407.0871 
1 1 1  -16   25   23 o  946.909  308.609   15.176   10.505   0.0000   0.0000   15.176   10.505  ?   ?   946.909  308.609 0.000000 308.6093 
1 1 1  -16   25   25 o  644.610  273.724   1.6021   9.6214   0.0000   0.0000   1.6021   9.6214  ?   ?   644.610  273.724 0.000000 273.7237 
1 1 1  -16   25   27 o  1198.08  275.339   25.376   10.113   0.0000   0.0000   25.376   10.113  ?   ?   1198.08  275.339 0.000000 275.3391 
1 1 1  -16   25   33 o  846.132  259.951   12.846   7.5519   18.505   11.755   8.8676   9.8549  987.832  326.668  764.757  293.408 223.0750 439.0901 
1 1 1  -16   25   35 o  625.560  246.898   5.0233   7.1366   10.352   10.743   0.8139   9.5479  796.351  306.149  606.481  265.101 189.8706 404.9760 
1 1 1  -16   25   37 o  612.655  268.695   1.2051   9.8813   1.2051   9.8813   0.0000   0.0000  612.655  268.695  ?   ?  0.000000 268.6947 
1 1 1  -16   25   39 o  618.322  239.042   5.7757   6.5773  -3.1387   8.3148   20.680   10.751  502.643  230.957  995.129  310.901 -492.4860 387.2989 
1 1 1  -16   26    2 o  685.527  267.812   4.9231   8.3225   0.0000   0.0000   4.9231   8.3225  ?   ?   685.527  267.812 0.000000 267.8122 
1 1 1  -16   26    4 o  683.589  242.892   6.6220   6.5308   17.205   10.047  -1.1206   8.5938  1013.63  297.259  579.629  252.484 434.0035 390.0143 
1 1 1  -16   26    6 o  499.122  233.167  -8.2352   9.0164  -8.2352   9.0164   0.0000   0.0000  499.122  233.167  ?   ?  0.000000 233.1667 
1 1 1  -16   26    8 o  526.760  240.451  -5.3072   8.8154  -5.3072   8.8154   0.0000   0.0000  526.760  240.451  ?   ?  0.000000 240.4509 
1 1 1  -16   26   10 o  1090.11  285.384   20.171   9.8556   20.171   9.8556   0.0000   0.0000  1090.11  285.384  ?   ?  0.000000 285.3845 
1 1 1  -16   26   12 o  1087.73  301.375   20.149   10.619   20.149   10.619   0.0000   0.0000  1087.73  301.375  ?   ?  0.000000 301.3755 
1 1 1  -16   26   16 o  968.365  231.780   15.802   6.9344   26.091   10.288   7.2351   9.3874  1237.69  272.804  757.505  287.379 480.1821 396.2430 
1 1 1  -16   26   18 o  721.564  252.529   7.7660   7.0380   5.1890   9.5106   10.886   10.464  716.030  284.253  855.295  307.074 -139.2650 418.4423 
1 1 1  -16   26   20 o  725.841  258.377   7.7395   7.3933   4.5477   10.257   11.192   10.667  720.077  291.964  862.317  309.990 -142.2404 425.8362 
1 1 1  -16   26   22 o  706.529  292.476   3.4844   10.566   0.0000   0.0000   3.4844   10.566  ?   ?   706.529  292.476 0.000000 292.4762 
1 1 1  -16   26   24 o  981.947  299.109   16.723   10.025   16.723   10.025   0.0000   0.0000  981.947  299.109  ?   ?  0.000000 299.1091 
1 1 1  -16   26   26 o  540.351  230.421   0.6155   6.8704  -7.4867   9.0885   11.419   10.495  501.701  234.279  853.281  307.404 -351.5803 386.5025 
1 1 1  -16   26   28 o  578.602  234.313   2.9602   6.5973  -3.3410   8.4266   12.939   10.604  528.176  238.714  883.048  309.923 -354.8720 391.1991 
1 1 1  -16   26   30 o  1124.89  319.980   23.425   11.807   0.0000   0.0000   23.425   11.807  ?   ?   1124.89  319.980 0.000000 319.9805 
1 1 1  -16   26   34 o  962.742  324.834   17.432   11.615   0.0000   0.0000   17.432   11.615  ?   ?   962.742  324.834 0.000000 324.8336 
1 1 1  -16   27    1 o  1006.83  242.142   17.014   7.5404   2.9139   12.008   26.192   9.6886  745.241  310.417  1249.95  256.150 -504.7066 402.4574 
1 1 1  -16   27    3 o  444.673  218.070 -19.9571   10.349 -19.9571   10.349   0.0000   0.0000  444.673  218.070  ?   ?  0.000000 218.0701 
1 1 1  -16   27    5 o  774.046  303.791   6.3443   10.748   6.3443   10.748   0.0000   0.0000  774.046  303.791  ?   ?  0.000000 303.7910 
1 1 1  -16   27    7 o  547.722  230.733   0.7947   6.7496  -0.3617   10.027   1.7530   9.1273  638.093  275.331  645.456  269.890 -7.363464 385.5490 
1 1 1  -16   27    9 o  429.643  198.276  -4.7376   6.2220  -0.7239   9.3682  -7.9054   8.3228  611.239  264.935  476.209  222.964 135.0301 346.2707 
1 1 1  -16   27   11 o  651.606  239.835   5.5972   6.4375  -0.7236   9.5333   10.895   8.7278  616.105  267.152  836.065  281.588 -219.9599 388.1521 
1 1 1  -16   27   17 o  921.017  313.562   13.500   10.824   13.500   10.824   0.0000   0.0000  921.017  313.562  ?   ?  0.000000 313.5624 
1 1 1  -16   27   19 o  892.645  309.212   12.512   10.539   12.512   10.539   0.0000   0.0000  892.645  309.212  ?   ?  0.000000 309.2120 
1 1 1  -16   27   21 o  723.446  262.661   7.4455   7.6834   2.2341   10.451   13.575   11.334  684.676  287.701  922.872  320.610 -238.1963 430.7698 
1 1 1  -16   27   23 o  803.198  253.465   10.668   7.1269   9.4484   9.4768   12.256   10.813  801.781  291.616  884.125  312.704 -82.34375 427.5786 
1 1 1  -16   27   25 o  448.031  208.640  -5.9258   7.1294  -7.6809   9.3814  -3.5267   10.969  511.490  238.573  611.807  274.805 -100.3167 363.9165 
1 1 1  -16   27   27 o  736.902  267.005   8.0690   7.9339   7.6164   10.314   8.7252   12.417  770.533  298.930  829.150  326.177 -58.61731 442.4373 
1 1 1  -16   27   29 o  819.865  265.586   11.367   7.7858   11.528   10.248   11.146   11.975  847.733  303.931  861.307  325.099 -13.57379 445.0435 
1 1 1  -16   27   31 o  648.221  276.691   1.8236   9.9243   1.8236   9.9243   0.0000   0.0000  648.221  276.691  ?   ?  0.000000 276.6909 
1 1 1  -16   27   33 o  650.505  267.487   3.9304   8.7593   10.158   12.156  -2.7949   12.633  828.737  323.694  649.050  292.909 179.6869 436.5480 
1 1 1  -16   28    2 o  1098.92  356.352   19.917   14.014   19.917   14.014   0.0000   0.0000  1098.92  356.352  ?   ?  0.000000 356.3522 
1 1 1  -16   28    4 o  809.057  264.295   10.330   7.7031  -1.7200   12.968   16.901   9.5757  705.479  308.647  1004.10  288.980 -298.6188 422.8147 
1 1 1  -16   28    6 f  860.756  265.721   12.080   7.8801   10.894   13.382   12.710   9.7499  912.064  343.811  896.696  297.556 15.36743 454.6933 
1 1 1  -16   28    8 o  897.886  258.495   13.403   7.6609   20.452   12.804   9.4723   9.5611  1102.97  338.417  815.665  293.454 287.3060 447.9298 
1 1 1  -16   28   10 o  968.648  250.362   15.769   7.6488   35.979   11.318  -1.2234   10.377  1470.34  255.072  635.840  277.197 834.4969 376.6960 
1 1 1  -16   28   12 o  439.235  210.674 -11.5260   8.3490   0.0000   0.0000 -11.5260   8.3490  ?   ?   439.235  210.674 0.000000 210.6741 
1 1 1  -16   28   14 o  737.296  261.025   7.8907   7.5357  -1.1535   11.082   15.668   10.277  656.842  286.403  972.225  304.008 -315.3830 417.6690 
1 1 1  -16   28   16 o  727.079  244.493   8.1586   6.5797  -1.7363   11.491   12.986   8.0257  659.770  289.545  884.595  267.216 -224.8253 394.0059 
1 1 1  -16   28   18 o  447.654  201.341  -2.6321   5.9104   13.976   11.014  -9.3494   7.0044  934.411  316.316  405.682  194.153 528.7286 371.1484 
1 1 1  -16   28   20 o  844.492  315.568   9.8013   11.225   9.8013   11.225   0.0000   0.0000  844.492  315.568  ?   ?  0.000000 315.5681 
1 1 1  -16   28   22 o  949.635  322.347   14.697   11.438   14.697   11.438   0.0000   0.0000  949.635  322.347  ?   ?  0.000000 322.3470 
1 1 1  -16   28   24 o  605.393  264.809  -1.0088   9.5416  -1.0088   9.5416   0.0000   0.0000  605.393  264.809  ?   ?  0.000000 264.8094 
1 1 1  -16   28   26 o  828.946  309.480   9.8548   10.792   9.8548   10.792   0.0000   0.0000  828.946  309.480  ?   ?  0.000000 309.4797 
1 1 1  -16   28   28 o  675.432  265.235   5.2238   8.1971   4.1826   10.976   6.5367   12.326  721.776  298.385  790.028  320.153 -68.25128 437.6433 
1 1 1  -16   28   30 o  584.718  251.632   0.5266   8.3300  -3.4101   10.708   6.5591   13.256  599.721  270.253  801.963  329.330 -202.2421 426.0220 
1 1 1  -16   29    1 o  760.254  283.572   7.4314   9.0563  -0.0002   15.708   11.132   11.084  798.408  344.559  880.123  316.035 -81.71515 467.5457 
1 1 1  -16   29    3 o  906.388  284.016   13.347   8.9648   33.668   15.199   2.5068   11.101  1398.15  348.429  716.592  298.472 681.5535 458.7903 
1 1 1  -16   29    5 o  525.868  236.307  -3.5361   8.1202  -6.2415   15.230  -2.4615   9.5983  715.166  322.285  594.115  262.526 121.0507 415.6769 
1 1 1  -16   29    7 o  797.132  276.309   9.4734   8.4162   21.588   13.497   1.7656   10.766  1133.58  347.394  694.930  292.002 438.6509 453.8145 
1 1 1  -16   29    9 o  617.662  282.046  -7.0715   12.143  -7.0715   12.143   0.0000   0.0000  617.662  282.046  ?   ?  0.000000 282.0464 
1 1 1  -16   29   11 o  781.057  293.404   7.7731   9.7289   0.0000   0.0000   7.7731   9.7289  ?   ?   781.057  293.404 0.000000 293.4041 
1 1 1  -16   29   13 o  478.696  218.760  -4.5922   7.3229 -18.5055   12.010   3.6407   9.2388  509.403  246.392  683.635  277.130 -174.2320 370.8238 
1 1 1  -16   29   15 f  400.103  189.244  -7.1045   6.2719 -21.2342   11.323  -0.8514   7.5329  467.885  229.174  545.268  236.955 -77.38248 329.6491 
1 1 1  -16   29   17 o  598.627  232.005   3.8693   6.2077   9.6444   10.850   1.0592   7.5688  839.493  310.930  580.942  244.510 258.5512 395.5531 
1 1 1  -16   29   19 o  657.798  241.825   5.7828   6.5420   15.302   12.154   1.8999   7.7624  976.700  332.279  602.974  250.233 373.7263 415.9636 
1 1 1  -16   29   21 o  546.756  230.565   0.8686   6.7511 -16.3082   11.781   9.2681   8.2380  515.893  248.164  782.727  273.251 -266.8340 369.1229 
1 1 1  -16   29   23 o  862.853  240.850   12.564   6.7555  -4.0294   11.107   22.305   8.5105  614.600  276.259  1146.89  244.455 -532.2919 368.8865 
1 1 1  -16   29   25 o  881.133  247.593   13.192   7.1143   17.041   11.120   10.525   9.2566  998.601  316.768  824.644  289.552 173.9565 429.1653 
1 1 1  -16   30    2 o  840.657  286.715   10.743   9.0496   15.985   16.807   8.6023   10.739  1057.64  387.790  821.810  308.351 235.8265 495.4409 
1 1 1  -16   30    4 o  649.365  263.645   3.0562   8.3755   21.035   14.450  -6.0406   10.278  1129.68  361.381  570.632  260.150 559.0466 445.2800 
1 1 1  -16   30    6 f  376.990  185.811 -16.6160   7.8265 -22.3100   13.610 -13.8026   9.5666  533.639  259.117  465.406  223.818 68.23328 342.3981 
1 1 1  -16   30    8 o  611.867  274.193  -4.2247   10.853   0.0000   0.0000  -4.2247   10.853  ?   ?   611.867  274.193 0.000000 274.1927 
1 1 1  -16   30   12 o  885.101  267.336   12.861   8.0332   14.823   12.430   11.454   10.527  977.549  335.963  878.145  308.762 99.40387 456.2944 
1 1 1  -16   30   14 o  528.913  227.247  -0.2176   6.7735  -3.8863   11.788   1.5907   8.2762  643.785  287.324  616.237  257.278 27.54816 385.6775 
1 1 1  -16   30   16 o  479.354  215.006  -2.8170   6.6892  -9.5547   11.007   1.1281   8.4229  554.052  258.424  611.802  257.740 -57.74933 364.9836 
1 1 1  -16   30   18 o  404.301  192.727  -8.5771   6.7592 -12.2411   12.235  -6.9675   8.1091  566.749  266.919  478.480  222.717 88.26886 347.6329 
1 1 1  -15    0    1 o  920.318  156.786   14.450   4.1244   14.450   4.1244   14.450   4.1244  920.318  156.786  920.318  156.786 -0.000000 0.000000 
1 1 1  -15    0    3 o  1031.06  148.549   17.755   4.5067   17.755   4.5067   17.755   4.5067  1031.06  148.549  1031.06  148.549 -0.000000 0.000000 
1 1 1  -15    0    5 o  1801.83  104.265   51.514   5.8375   51.514   5.8375   51.514   5.8375  1801.83  104.265  1801.83  104.265 -0.000000 0.000000 
1 1 1  -15    0    7 o  651.907  115.900   7.2755   2.1429   7.2755   2.1429   7.2755   2.1429  651.907  115.900  651.907  115.900 -0.000000 0.000000 
1 1 1  -15    0    9 o  561.332  127.991   5.6572   1.9604   5.6572   1.9604   5.6572   1.9604  561.332  127.991  561.332  127.991 -0.000000 0.000000 
1 1 1  -15    0   11 o  4744.84  172.676  357.347   25.578  357.347   25.578  357.347   25.578  4744.84  172.676  4744.84  172.676 -0.000000 0.000000 
1 1 1  -15    0   13 f  2743.45  121.673  119.123   10.405  119.123   10.405  119.123   10.405  2743.45  121.673  2743.45  121.673 -0.000000 0.000000 
1 1 1  -15    0   15 o  526.140  130.286   5.0737   1.8579   5.0737   1.8579   5.0737   1.8579  526.140  130.286  526.140  130.286 -0.000000 0.000000 
1 1 1  -15    0   17 o  132.289   88.627  -0.3888   1.0237  -0.3888   1.0237  -0.3888   1.0237  132.289   88.627  132.289   88.627 -0.000000 0.000000 
1 1 1  -15    0   19 o  778.956  108.806   10.084   2.5057   10.084   2.5057   10.084   2.5057  778.956  108.806  778.956  108.806 -0.000000 0.000000 
1 1 1  -15    0   21 o  1444.68  102.214   33.337   4.5706   33.337   4.5706   33.337   4.5706  1444.68  102.214  1444.68  102.214 -0.000000 0.000000 
1 1 1  -15    0   23 o  2096.03  110.033   69.860   7.1762   69.860   7.1762   69.860   7.1762  2096.03  110.033  2096.03  110.033 -0.000000 0.000000 
1 1 1  -15    0   25 o  1284.00  147.982   27.205   5.7443   27.205   5.7443   27.205   5.7443  1284.00  147.982  1284.00  147.982 -0.000000 0.000000 
1 1 1  -15    0   27 o  923.474  104.220   13.963   2.9148   13.963   2.9148   13.963   2.9148  923.474  104.220  923.474  104.220 -0.000000 0.000000 
1 1 1  -15    0   29 o  243.821  134.916   1.3036   1.5081   1.3036   1.5081   1.3036   1.5081  243.821  134.916  243.821  134.916 -0.000000 0.000000 
1 1 1  -15    0   31 o  1906.98  107.657   58.054   6.3816   58.054   6.3816   58.054   6.3816  1906.98  107.657  1906.98  107.657 -0.000000 0.000000 
1 1 1  -15    0   33 o  1882.71  157.113   57.946   9.1137   57.946   9.1137   57.946   9.1137  1882.71  157.113  1882.71  157.113 -0.000000 0.000000 
1 1 1  -15    0   35 f  3692.32  148.103  219.562   17.060  219.562   17.060  219.562   17.060  3692.32  148.103  3692.32  148.103 -0.000000 0.000000 
1 1 1  -15    0   37 o  919.228  117.583   14.047   3.2329   14.047   3.2329   14.047   3.2329  919.228  117.583  919.228  117.583 -0.000000 0.000000 
1 1 1  -15    0   39 o  1075.29  113.026   18.909   3.7094   18.909   3.7094   18.909   3.7094  1075.29  113.026  1075.29  113.026 -0.000000 0.000000 
1 1 1  -15    0   41 o  520.067  218.711   6.1637   3.5852   6.1637   3.5852   6.1637   3.5852  520.067  218.711  520.067  218.711 -0.000000 0.000000 
1 1 1  -15    0   43 o  919.218  187.009   15.071   4.7631   15.071   4.7631   15.071   4.7631  919.218  187.009  919.218  187.009 -0.000000 0.000000 
1 1 1  -15    0   45 o  404.042  213.867   3.8667   3.6282   3.8667   3.6282   3.8667   3.6282  404.042  213.867  404.042  213.867 -0.000000 0.000000 
1 1 1  -15    0   47 o  696.207  161.067   8.8363   3.0552   8.8363   3.0552   8.8363   3.0552  696.207  161.067  696.207  161.067 -0.000000 0.000000 
1 1 1  -15    0   49 o  4658.02  174.145  350.468   25.319  350.468   25.319  350.468   25.319  4658.02  174.145  4658.02  174.145 -0.000000 0.000000 
1 1 1  -15    0   51 o  328.040  178.841   2.4692   2.6062   2.4692   2.6062   2.4692   2.6062  328.040  178.841  328.040  178.841 -0.000000 0.000000 
1 1 1  -15    0   53 o  820.306  147.269   11.749   3.4200   11.749   3.4200   11.749   3.4200  820.306  147.269  820.306  147.269 -0.000000 0.000000 
1 1 1  -15    0   55 o  331.695  185.033   2.5446   2.8626   2.5446   2.8626   2.5446   2.8626  331.695  185.033  331.695  185.033 -0.000000 0.000000 
1 1 1  -15    0   57 o  838.953  245.179   14.476   5.5934   14.476   5.5934   14.476   5.5934  838.953  245.179  838.953  245.179 -0.000000 0.000000 
1 1 1  -15    0   63 o  1628.79  173.749   46.088   8.6075   46.088   8.6075   46.088   8.6075  1628.79  173.749  1628.79  173.749 -0.000000 0.000000 
1 1 1  -15    1    2 o  1915.25   85.563   57.703   5.1313   57.992   8.8831   57.559   6.2862  1905.02  150.135  1907.62  105.652 -2.597290 183.5832 
1 1 1  -15    1    4 o  1883.94   84.360   55.824   4.9765   65.227   8.6597   51.187   6.0808  2024.26  137.436  1798.11  108.510 226.1515 175.1090 
1 1 1  -15    1    6 o  410.031  101.982   2.7543   1.3039   4.7403   2.3352   1.8545   1.5718  536.843  138.122  354.581  119.496 182.2624 182.6385 
1 1 1  -15    1    8 o  1701.05   72.097   45.460   3.8402   43.938   5.4233   46.990   5.4385  1665.96  104.492  1723.63  101.210 -57.67188 145.4719 
1 1 1  -15    1   10 o  2107.41   76.791   69.816   5.0673   73.342   7.1715   66.300   7.1610  2155.97  106.231  2045.94  112.207 110.0286 154.5171 
1 1 1  -15    1   12 o  1010.14   69.652   16.107   2.1896   17.539   3.1212   14.720   3.0725  1050.62   95.935  960.392  103.824 90.22546 141.3610 
1 1 1  -15    1   14 o  3482.45   98.288  191.311   10.718  182.947   15.149  199.694   15.165  3391.36  142.656  3545.50  136.602 -154.1389 197.5116 
1 1 1  -15    1   16 o  2291.22   79.656   82.644   5.7148   84.087   8.0826   81.201   8.0814  2304.98  111.987  2261.74  114.483 43.23364 160.1481 
1 1 1  -15    1   18 o  2894.66   88.168  132.207   7.9914  126.395   11.285  138.053   11.319  2818.33  127.872  2947.33  122.644 -129.0059 177.1804 
1 1 1  -15    1   20 o  1313.03   70.053   27.229   2.8698   26.673   4.0402   27.796   4.0770  1293.53  100.538  1320.92   99.297 -27.38782 141.3072 
1 1 1  -15    1   22 o  3287.79   95.887  171.638   9.8714  170.489   13.959  172.788   13.962  3253.12  137.036  3275.59  136.122 -22.47144 193.1529 
1 1 1  -15    1   24 o  1569.29   82.770   39.175   4.0528   36.074   4.9515   45.468   7.0541  1498.02  106.251  1669.33  136.138 -171.3096 172.6932 
1 1 1  -15    1   26 o  2828.35  102.232  128.362   9.0539  139.417   15.699  122.852   11.083  2876.67  175.123  2747.43  128.824 129.2439 217.4025 
1 1 1  -15    1   28 o  2267.94   79.829   81.927   5.6691   85.974   8.0229   77.891   8.0117  2304.90  111.163  2186.99  117.423 117.9114 161.6954 
1 1 1  -15    1   30 o  1243.71   71.803   24.683   2.7844   25.419   3.9342   23.943   3.9412  1250.70  101.330  1212.07  104.879 38.63098 145.8330 
1 1 1  -15    1   32 o  1761.35   87.196   49.931   4.8091   44.671   8.2919   52.597   5.9034  1602.17  167.770  1793.73  105.571 -191.5648 198.2222 
1 1 1  -15    1   34 o  1748.14   75.570   49.091   4.1366   47.797   5.8112   50.421   5.8897  1698.18  109.875  1745.70  108.282 -47.52246 154.2645 
1 1 1  -15    1   36 o  1760.85   76.398   50.050   4.2123   48.077   5.9191   52.074   5.9959  1693.57  112.254  1766.15  108.952 -72.57507 156.4339 
1 1 1  -15    1   38 o  2495.22  100.474  102.899   7.8502  104.941   9.6258   98.843   13.565  2486.40  123.637  2289.74  190.940 196.6602 227.4731 
1 1 1  -15    1   40 o  2725.08  103.696  123.024   8.8483  131.839   10.865  105.664   15.247  2787.45  124.481  2328.56  211.421 458.8894 245.3454 
1 1 1  -15    1   42 o  3789.31  129.785  246.702   15.399  248.417   18.871  243.283   26.643  3710.36  162.426  3359.67  255.166 350.6904 302.4758 
1 1 1  -15    1   44 o  2100.72   94.739   73.232   6.2318   84.714   10.763   67.442   7.6433  2143.78  161.526  1973.41  124.329 170.3683 203.8345 
1 1 1  -15    1   46 o  2202.75   97.683   81.591   6.7376   81.320   11.710   81.725   8.2379  2018.33  187.420  2160.53  122.271 -142.1937 223.7778 
1 1 1  -15    1   48 o  3640.61  132.337  239.728   15.086  217.352   26.116  250.933   18.481  2760.56  307.350  3597.11  164.081 -836.5491 348.4062 
1 1 1  -15    1   50 o  4192.56  127.477  323.528   16.735  332.653   23.673  314.412   23.662  3877.14  195.623  3724.21  203.676 152.9321 282.4045 
1 1 1  -15    1   52 o  2103.47   85.981   77.083   5.6631   73.244   8.0169   80.906   8.0009  1913.20  134.681  2038.62  125.955 -125.4200 184.4011 
1 1 1  -15    1   54 o  2090.95   91.325   81.645   5.9793   83.109   8.4728   80.193   8.4394  1896.14  143.775  1849.73  146.918 46.40759 205.5630 
1 1 1  -15    1   56 f  1994.41  191.921  136.190   11.837  151.442   16.836  121.279   16.647  893.037  369.393  623.731  298.720 269.3058 475.0631 
1 1 1  -15    1   58 o  1530.71  267.734  144.808   12.365  163.911   17.604  126.204   17.372  503.327  252.804  ?   ?  0.000000 252.8038 
1 1 1  -15    1   60 o  ?   ?   359.612   25.557  359.612   25.557   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -15    1   62 f  ?   ?    11.382   5.2776   11.382   5.2776   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -15    2    1 o  2819.68  100.281  125.299   8.8539  113.409   15.314  131.269   10.852  2655.57  185.325  2881.93  120.251 -226.3562 220.9199 
1 1 1  -15    2    3 f  947.379   78.431   14.204   2.3057   16.296   4.0646   13.211   2.7998  1006.20  132.207  910.287   99.868 95.91492 165.6874 
1 1 1  -15    2    5 o  1059.31   67.977   17.693   2.2429   19.643   3.1910   15.790   3.1531  1113.24   92.375  995.675  102.606 117.5706 138.0624 
1 1 1  -15    2    7 o  1453.90   69.322   33.200   3.1559   29.740   4.4646   36.655   4.4616  1369.33  104.924  1522.81   94.028 -153.4795 140.8906 
1 1 1  -15    2    9 o  2640.05   84.119  109.648   6.9539  110.174   9.8355  109.121   9.8330  2640.07  118.977  2627.30  119.525 12.76660 168.6471 
1 1 1  -15    2   11 o  3341.60   95.528  175.957   9.9954  164.956   14.129  186.978   14.142  3223.55  139.979  3434.76  131.494 -211.2070 192.0539 
1 1 1  -15    2   13 o  1647.23   71.481   42.646   3.6869   39.490   5.1925   45.855   5.2360  1578.05  105.695  1702.31   98.652 -124.2667 144.5811 
1 1 1  -15    2   15 f  964.859   67.727   14.702   2.0332   17.729   2.8991   11.772   2.8523  1057.09   88.399  856.254  108.841 200.8351 140.2171 
1 1 1  -15    2   17 o  2256.44   78.760   80.180   5.5647   79.682   7.8774   80.676   7.8621  2239.89  112.674  2256.89  111.253 -16.99854 158.3437 
1 1 1  -15    2   19 o  638.587   77.379   6.5194   1.5157   8.0674   2.1903   5.0970   2.0996  706.730  101.922  555.220  123.909 151.5101 160.4415 
1 1 1  -15    2   21 o  2393.55   80.385   90.509   6.0247   85.917   8.5042   95.135   8.5362  2317.43  117.581  2443.83  111.552 -126.4028 162.0778 
1 1 1  -15    2   23 o  2183.78   78.178   75.473   5.3458   72.371   7.5492   78.593   7.5711  2122.79  113.990  2217.22  109.051 -94.42627 157.7525 
1 1 1  -15    2   25 o  2478.88   83.344   97.672   6.4691   97.413   9.1395   97.931   9.1579  2456.64  118.814  2463.22  118.734 -6.580811 167.9720 
1 1 1  -15    2   27 o  1480.65   84.255   35.055   3.8902   35.800   6.6842   34.674   4.7838  1465.53  147.671  1464.16  105.043 1.376709 181.2198 
1 1 1  -15    2   29 o  1111.17   72.141   19.700   2.4964   18.141   3.5182   21.281   3.5429  1053.82  108.152  1145.55   99.768 -91.73022 147.1413 
1 1 1  -15    2   31 o  548.868  108.686   5.0576   1.8018   0.9747   3.0013   7.3585   2.2531  375.141  155.633  663.573  112.450 -288.4322 192.0068 
1 1 1  -15    2   33 o  1652.46   72.765   43.677   3.7650   42.240   5.2895   45.154   5.3603  1603.10  105.973  1659.35  103.685 -56.24878 148.2597 
1 1 1  -15    2   35 f  2547.48   99.793  106.641   7.9602  101.225   9.7332  117.582   13.833  2442.96  127.683  2551.09  174.215 -108.1331 215.9949 
1 1 1  -15    2   37 o  1896.53   89.810   58.770   5.3334   57.169   6.5229   61.998   9.2634  1844.95  113.462  1860.30  160.602 -15.34473 196.6385 
1 1 1  -15    2   39 o  3804.23  129.180  246.741   15.388  245.211   18.853  249.792   26.633  3705.30  162.496  3469.35  246.775 235.9495 295.4706 
1 1 1  -15    2   41 o  3006.55  110.034  150.900   10.359  154.082   12.703  144.584   17.898  2990.12  135.671  2720.62  211.763 269.4954 251.4959 
1 1 1  -15    2   43 o  3210.27   98.100  170.868   9.8612  169.517   13.949  172.218   13.943  3100.19  143.690  3128.05  142.353 -27.85547 202.2651 
1 1 1  -15    2   45 o  2379.38  101.044   95.129   7.5282   72.210   13.032  106.607   9.2225  1820.62  234.023  2487.34  118.412 -666.7195 262.2748 
1 1 1  -15    2   47 o  275.162  118.518   0.2469   1.8512   3.4302   3.1774  -1.3888   2.2776  439.944  167.122  255.049  118.489 184.8946 204.8648 
1 1 1  -15    2   49 f  2657.93  107.555  122.866   8.9514  122.888   15.557  122.854   10.945  2331.85  215.494  2580.26  135.946 -248.4097 254.7918 
1 1 1  -15    2   51 o  2261.10  103.547   90.859   7.3312   93.492   12.762   89.563   8.9565  1957.89  211.532  2161.44  132.980 -203.5590 249.8589 
1 1 1  -15    2   53 o  1577.40  128.759   51.266   6.3042   51.577   9.0228   50.969   8.8120  1291.01  231.715  1305.14  223.673 -14.13513 322.0579 
1 1 1  -15    2   55 o  762.752  161.556   15.674   3.7385   13.891   5.4398   17.271   5.1464  501.197  208.860  624.912  216.098 -123.7152 300.5337 
1 1 1  -15    2   57 o  1119.43  118.237   29.932   4.0817   24.425   5.0854   39.904   6.8432  738.929  209.928  849.190  244.263 -110.2606 322.0779 
1 1 1  -15    2   59 o  1923.83  145.503  118.889   8.7002  134.719   10.718   88.304   14.898  1638.26  214.048  ?   ?  0.000000 214.0485 
1 1 1  -15    2   61 o  1515.44  191.994  119.261   8.9062  121.566   10.946  114.748   15.319  637.801  281.167  ?   ?  0.000000 281.1665 
1 1 1  -15    2   63 o  415.183  197.514   59.025   7.0250   59.025   7.0250   0.0000   0.0000  415.183  197.514  ?   ?  0.000000 197.5141 
1 1 1  -15    3    2 o  1735.37   83.636   47.365   4.5447   45.704   7.8563   48.200   5.5714  1689.80  150.041  1745.69  102.374 -55.88965 181.6387 
1 1 1  -15    3    4 f  1191.84   67.747   22.378   2.5178   21.393   3.5516   23.372   3.5700  1161.17   98.616  1214.66   94.609 -53.49622 136.6598 
1 1 1  -15    3    6 o  738.943   69.151   8.6502   1.5814   7.0103   2.2332   10.300   2.2397  657.410  112.532  803.921   90.551 -146.5110 144.4405 
1 1 1  -15    3    8 o  1667.26   71.561   43.670   3.7359   43.830   5.2943   43.511   5.2726  1664.29  102.085  1658.22  102.041 6.076538 144.3390 
1 1 1  -15    3   10 o  1923.42   74.428   58.145   4.4826   53.650   6.3292   62.670   6.3494  1840.11  110.357  1990.90  102.196 -150.7930 150.4084 
1 1 1  -15    3   12 o  1251.82   69.316   24.696   2.7064   22.144   3.8323   27.235   3.8226  1179.96  104.814  1311.38   93.710 -131.4219 140.5971 
1 1 1  -15    3   14 o  2671.04   84.426  112.338   7.0611  116.935   10.001  107.768   9.9710  2717.91  117.513  2608.06  122.096 109.8440 169.4604 
1 1 1  -15    3   16 o  1426.80   70.214   32.014   3.1369   31.355   4.4330   32.674   4.4396  1405.13  101.436  1434.93   99.422 -29.79333 142.0351 
1 1 1  -15    3   18 o  2228.92   78.484   78.284   5.4776   76.616   7.7541   79.946   7.7389  2194.63  113.223  2245.49  110.066 -50.86255 157.9045 
1 1 1  -15    3   20 o  498.954   86.139   4.0445   1.2971   4.5530   1.8627   3.5656   1.8074  524.700  116.419  464.410  122.519 60.29050 169.0095 
1 1 1  -15    3   22 o  631.430   79.262   6.4019   1.5326   5.1933   2.1292   7.7014   2.2078  558.335  124.911  687.526  105.959 -129.1915 163.7984 
1 1 1  -15    3   24 o  1242.58   71.044   24.497   2.7527   23.507   3.8797   25.500   3.9064  1208.19  103.554  1259.90   99.836 -51.71912 143.8427 
1 1 1  -15    3   26 o  634.551   79.348   6.4939   1.5421   6.1283   2.1752   6.8634   2.1866  605.810  118.915  643.821  112.565 -38.01025 163.7423 
1 1 1  -15    3   28 o  1559.36   84.371   38.907   4.1043   35.338   6.9890   40.786   5.0707  1448.46  156.589  1588.65  102.483 -140.1841 187.1435 
1 1 1  -15    3   30 o  1251.72   84.127   25.173   3.2782   26.371   5.6535   24.566   4.0236  1249.65  147.312  1227.48  105.716 22.16235 181.3194 
1 1 1  -15    3   32 o  1151.21   73.442   21.244   2.6336   18.053   3.6508   24.706   3.8028  1043.94  113.515  1230.21   99.574 -186.2640 150.9981 
1 1 1  -15    3   34 o  1330.05   84.833   28.711   3.5146   27.965   4.3172   30.177   6.0522  1299.15  107.081  1316.91  149.415 -17.76550 183.8236 
1 1 1  -15    3   36 o  1311.26  105.814   28.631   4.3076   31.023   6.1304   26.297   6.0541  1326.74  150.211  1207.88  164.336 118.8669 222.6425 
1 1 1  -15    3   38 o  3253.71  115.063  177.291   11.723  180.923   14.368  170.059   20.275  3232.38  141.957  2933.75  222.361 298.6282 263.8111 
1 1 1  -15    3   40 o  1609.74   77.057   41.826   3.8840   41.012   5.4776   42.649   5.5083  1564.35  112.577  1596.99  110.840 -32.63208 157.9844 
1 1 1  -15    3   42 o  1663.49   78.112   44.821   4.0687   42.510   5.7611   47.121   5.7470  1584.24  116.963  1675.36  110.166 -91.11853 160.6765 
1 1 1  -15    3   44 o  3097.03   96.236  159.317   9.3326  159.033   13.203  159.599   13.194  2998.06  140.641  3004.35  140.248 -6.293457 198.6188 
1 1 1  -15    3   46 o  4933.92  142.423  439.961   22.003  436.535   31.120  443.387   31.115  4512.83  220.229  4561.33  217.852 -48.49463 309.7742 
1 1 1  -15    3   48 o  2862.72  142.303  150.870   12.756  155.512   18.116  146.305   17.964  2641.41  221.061  2536.52  228.637 104.8862 318.0298 
1 1 1  -15    3   50 o  2739.90  290.475  222.749   24.541   0.0000   0.0000  222.749   24.541  ?   ?   2739.90  290.475 0.000000 290.4755 
1 1 1  -15    3   52 o  1483.06  205.454   56.488   9.2847   0.0000   0.0000   56.488   9.2847  ?   ?   1483.06  205.454 0.000000 205.4545 
1 1 1  -15    3   54 o  756.315  123.401   12.162   2.8216   14.274   3.5615   8.6012   4.6240  766.854  153.676  462.088  192.563 304.7655 246.3672 
1 1 1  -15    3   56 o  1942.74  115.644   84.910   7.0030   86.193   8.6383   82.449   11.961  1729.28  161.398  850.294  323.957 878.9829 361.9353 
1 1 1  -15    3   58 o  1556.47  117.818   60.743   5.6995   62.148   7.0405   58.072   9.7084  1317.79  174.948  541.974  249.226 775.8145 304.5008 
1 1 1  -15    3   60 o  360.005  147.947   7.1110   2.6777   8.7906   3.3518   4.1479   4.4518  344.215  153.448  250.102  125.808 94.11255 198.4285 
1 1 1  -15    3   62 o  273.267  133.252   9.4757   3.7054   9.4757   3.7054   0.0000   0.0000  273.267  133.252  ?   ?  0.000000 133.2522 
1 1 1  -15    4    1 f  3586.77  115.456  203.217   12.967  204.952   22.453  202.348   15.884  3564.42  201.999  3570.98  142.052 -6.558350 246.9460 
1 1 1  -15    4    3 o  283.721   90.952   1.2352   0.9149   1.9883   1.2756   0.4372   1.3130  353.641  106.464  258.267  104.551 95.37390 149.2166 
1 1 1  -15    4    5 f  582.896   74.304   5.4244   1.3253   5.1352   1.8577   5.7242   1.8914  561.002  109.686  593.786  105.595 -32.78412 152.2535 
1 1 1  -15    4    7 o  2130.12   76.134   71.315   5.0781   71.929   7.1848   70.703   7.1783  2132.43  107.954  2113.96  108.813 18.46606 153.2788 
1 1 1  -15    4    9 o  1218.72   69.049   23.405   2.6242   26.992   3.7249   19.870   3.6975  1306.08   91.661  1117.15  107.010 188.9365 140.9008 
1 1 1  -15    4   11 o  3373.78   94.627  179.369   9.9965  186.058   14.145  172.695   14.130  3425.67  131.867  3298.78  136.791 126.8811 190.0021 
1 1 1  -15    4   13 o  1343.04   70.356   28.427   2.9484   28.709   4.1954   28.151   4.1445  1345.20  100.324  1332.01  100.101 13.18579 141.7219 
1 1 1  -15    4   15 o  2793.61   86.473  122.983   7.5642  129.669   10.707  116.322   10.687  2860.09  119.561  2707.03  126.084 153.0662 173.7582 
1 1 1  -15    4   17 f  2334.61   79.574   85.877   5.8170   84.185   8.2246   87.571   8.2285  2303.83  114.011  2350.28  111.810 -46.44751 159.6875 
1 1 1  -15    4   19 o  1247.81   70.907   24.606   2.7591   23.423   3.9020   25.788   3.9018  1210.86  103.920  1272.12   98.728 -61.26294 143.3405 
1 1 1  -15    4   21 o  282.463   98.715   1.1304   1.0753   2.0873   1.5448   0.2310   1.4976  366.022  118.274  261.923  109.405 104.0984 161.1156 
1 1 1  -15    4   23 o  1402.13   84.015   31.294   3.6716   32.100   4.4804   29.646   6.4065  1414.75  101.820  1338.19  155.809 76.56042 186.1288 
1 1 1  -15    4   25 o  1938.26   75.968   59.579   4.6106   60.992   6.5484   58.189   6.4929  1945.78  107.901  1899.55  109.627 46.23071 153.8206 
1 1 1  -15    4   27 o  3759.34  104.246  227.342   12.271  225.353   17.343  229.336   17.365  3690.30  150.089  3724.35  148.908 -34.04541 211.4239 
1 1 1  -15    4   29 o  1519.33  107.374   37.502   5.0753   0.0000   0.0000   37.502   5.0753  ?   ?   1519.33  107.374 0.000000 107.3745 
1 1 1  -15    4   31 o  1364.63   84.237   29.960   3.5819   30.395   4.3801   29.082   6.2233  1365.48  103.204  1303.70  155.519 61.78210 186.6476 
1 1 1  -15    4   33 o  2672.40  102.122  116.665   8.5455  114.063   10.474  121.845   14.779  2611.48  128.090  2611.97  181.831 -0.4877930 222.4172 
1 1 1  -15    4   35 o  706.504   93.207   8.2648   2.0116   7.7989   2.4572   9.2117   3.5030  674.035  120.862  712.213  160.875 -38.17822 201.2174 
1 1 1  -15    4   37 o  1448.96   74.384   33.875   3.3635   32.889   4.7042   34.905   4.8109  1405.12  107.739  1448.47  106.826 -43.35168 151.7219 
1 1 1  -15    4   39 o  2044.97   78.887   67.500   5.0514   65.854   7.1226   69.166   7.1651  1983.82  115.158  2035.82  112.841 -51.99658 161.2277 
1 1 1  -15    4   41 o  756.414   90.808   9.4597   2.1078   9.3929   2.9880   9.5259   2.9739  731.376  135.460  737.645  133.675 -6.269531 190.3117 
1 1 1  -15    4   43 o  1289.07   76.374   27.010   3.0690   26.561   4.3359   27.461   4.3447  1252.59  111.721  1275.31  109.872 -22.72095 156.6950 
1 1 1  -15    4   45 o  3812.54  133.252  255.763   15.908  254.629   19.512  258.010   27.471  3681.66  169.254  3322.42  266.298 359.2378 315.5342 
1 1 1  -15    4   47 o  1121.39  113.258   21.849   3.9224   26.606   5.6776   17.505   5.4252  1188.56  156.349  920.002  194.414 268.5571 249.4830 
1 1 1  -15    4   49 o  1327.94  173.859   35.604   7.0556   0.0000   0.0000   35.604   7.0556  ?   ?   1327.94  173.859 0.000000 173.8588 
1 1 1  -15    4   51 o  3668.05  211.474  331.263   24.186  338.442   34.319  324.180   34.090  2448.58  464.616  2299.45  488.541 149.1326 674.1960 
1 1 1  -15    4   53 o  1276.69  127.522   33.622   5.0297   31.994   7.2753   35.113   6.9612  977.933  239.495  1114.62  207.075 -136.6851 316.6035 
1 1 1  -15    4   55 o  1881.50  158.724   94.211   9.2638   87.584   13.220  100.605   12.986  909.524  341.946  1245.68  328.292 -336.1555 474.0279 
1 1 1  -15    4   57 o  1903.49  122.974   88.947   7.2904   88.781   8.9839   89.267   12.476  1592.10  183.573  674.422  298.593 917.6765 350.5094 
1 1 1  -15    4   59 o  1593.10  128.909   72.114   6.3754   74.078   7.8557   68.325   10.912  1254.98  207.134  433.361  214.650 821.6230 298.2932 
1 1 1  -15    4   61 o  731.696  290.757  106.309   9.9598  106.309   9.9598   0.0000   0.0000  731.696  290.757  ?   ?  0.000000 290.7574 
1 1 1  -15    4   63 o  638.192  205.580   35.933   4.6700   38.629   5.6136   29.874   8.4155  411.717  189.397  ?   ?  0.000000 189.3971 
1 1 1  -15    5    2 o  1534.55   70.535   36.992   3.3892   38.731   4.8120   35.280   4.7744  1564.64   98.724  1492.33  102.800 72.30261 142.5288 
1 1 1  -15    5    4 f  2254.33   78.499   79.894   5.5412   80.638   7.8437   79.152   7.8291  2260.19  110.831  2239.13  111.664 21.05420 157.3288 
1 1 1  -15    5    6 o  3085.95   90.914  149.929   8.7849  153.708   12.430  146.157   12.418  3116.27  127.383  3037.93  130.539 78.33643 182.3923 
1 1 1  -15    5    8 o  1573.49   71.080   38.899   3.5021   37.608   4.9540   40.188   4.9514  1540.79  103.279  1593.61   99.729 -52.82776 143.5704 
1 1 1  -15    5   10 o  387.233   91.256   2.4564   1.0884   0.5580   1.5162   4.4746   1.5633  279.817  112.674  524.310   98.844 -244.4927 149.8857 
1 1 1  -15    5   12 o  653.465   76.527   6.8066   1.5362   7.6069   2.1632   5.9923   2.1820  686.643  103.855  605.031  119.413 81.61194 158.2575 
1 1 1  -15    5   14 o  739.074   74.895   8.6801   1.7093   6.6971   2.4045   10.706   2.4304  639.153  124.619  818.085   96.749 -178.9324 157.7665 
1 1 1  -15    5   16 o  3375.61   96.704  180.044   10.221  193.192   14.478  166.980   14.432  3482.62  132.767  3233.54  142.542 249.0828 194.7961 
1 1 1  -15    5   18 o  1945.54   75.757   59.664   4.6150   61.765   6.5393   57.578   6.5141  1970.29  106.389  1901.12  109.896 69.16833 152.9570 
1 1 1  -15    5   20 o  2174.35   77.571   74.666   5.2814   73.144   7.4602   76.194   7.4778  2139.40  111.751  2187.23  109.185 -47.83130 156.2362 
1 1 1  -15    5   22 o  2207.55   91.955   77.436   6.3563   77.606   7.7745   77.091   11.039  2198.92  113.298  2162.78  164.228 36.14014 199.5178 
1 1 1  -15    5   24 o  2309.51   80.676   84.649   5.8342   86.298   8.2533   83.002   8.2483  2316.50  113.783  2267.65  116.559 48.84888 162.8878 
1 1 1  -15    5   26 o  1631.03   74.078   42.191   3.7833   44.732   5.3510   39.650   5.3497  1666.53  103.047  1565.68  109.816 100.8540 150.5932 
1 1 1  -15    5   28 o  3025.56  131.028  149.881   12.413  162.519   17.634  137.469   17.477  3082.31  183.544  2812.39  199.755 269.9221 271.2761 
1 1 1  -15    5   30 o  1452.03   85.260   33.864   3.8595   32.345   4.7625   36.769   6.5874  1407.86  108.880  1479.86  143.983 -72.00378 180.5156 
1 1 1  -15    5   32 o  1804.88   87.413   52.476   4.9402   45.309   6.0443   66.899   8.5741  1655.06  117.394  1992.53  138.281 -337.4790 181.3915 
1 1 1  -15    5   34 o  2326.53   83.082   87.380   6.0525   79.538   8.5144   95.389   8.6053  2175.14  125.545  2398.40  114.585 -223.2607 169.9740 
1 1 1  -15    5   36 o  763.642   91.909   9.6197   2.1535   11.179   2.6743   6.7435   3.6323  816.893  107.132  601.610  179.328 215.2838 208.8917 
1 1 1  -15    5   38 o  2002.64   78.777   64.640   4.9399   66.188   6.9707   63.079   7.0015  1994.92  112.046  1943.78  115.554 51.14404 160.9569 
1 1 1  -15    5   40 o  1077.13   90.958   19.015   3.0391   18.704   3.8050   19.563   5.0508  1052.95  117.406  1047.58  158.970 5.367798 197.6248 
1 1 1  -15    5   42 o  212.124   97.820  -1.0213   1.5102   2.8678   2.0269  -5.8748   2.2643  410.872  135.639  185.829   92.953 225.0422 164.4329 
1 1 1  -15    5   44 o  2828.93  135.199  139.872   11.976  143.674   16.986  136.115   16.887  2694.87  202.788  2607.47  208.581 87.40088 290.9105 
1 1 1  -15    5   46 o  2081.87  118.237   74.944   7.6759   81.574   10.929   68.489   10.783  2071.76  169.971  1863.83  187.297 207.9215 252.9238 
1 1 1  -15    5   48 o  1815.45   95.802   55.704   5.4267   52.290   6.7016   62.206   9.2487  1714.18  125.731  1791.89  166.750 -77.70862 208.8390 
1 1 1  -15    5   50 o  1683.80   94.952   48.854   4.9858   44.852   6.1520   56.514   8.5106  1558.21  127.198  1666.57  165.266 -108.3617 208.5474 
1 1 1  -15    5   52 o  1165.76  124.619   26.702   4.4785   28.716   6.5715   24.955   6.1196  1040.43  208.969  969.375  207.852 71.05737 294.7377 
1 1 1  -15    5   54 o  2312.00  168.917  140.159   12.144  142.072   17.324  138.311   17.028  1328.62  390.532  1328.92  386.198 -0.3029785 549.2393 
1 1 1  -15    5   56 o  1475.57  150.159   58.727   6.8412   60.068   9.8327   57.468   9.5245  849.939  298.428  855.984  294.097 -6.045898 418.9896 
1 1 1  -15    5   58 o  1398.42  185.088   74.010   7.9055   73.809   11.361   74.199   11.007  528.136  251.229  572.726  264.103 -44.58899 364.5081 
1 1 1  -15    5   60 f  1020.38  294.450  104.423   9.9297  104.423   9.9297   0.0000   0.0000  1020.38  294.450  ?   ?  0.000000 294.4501 
1 1 1  -15    5   62 o  1120.92  153.034   52.076   5.2310   57.562   6.5275   42.229   8.7450  724.968  243.524  ?   ?  0.000000 243.5242 
1 1 1  -15    6    1 o  293.462   92.334   1.3388   0.9464   1.8464   1.2733   0.7123   1.4147  343.275  106.952  280.191  110.136 63.08441 153.5212 
1 1 1  -15    6    3 o  2420.72   80.091   92.156   6.0708   93.534   8.5895   90.780   8.5813  2433.42  112.729  2397.02  114.331 36.39990 160.5595 
1 1 1  -15    6    5 o  778.190   70.616   9.5916   1.7020   10.707   2.4012   8.4658   2.4127  818.919   95.432  724.328  109.822 94.59143 145.4930 
1 1 1  -15    6    7 o  429.862  103.987   3.0313   1.3844   3.9755   2.4752   2.6015   1.6701  496.827  148.021  403.959  121.868 92.86807 191.7340 
1 1 1  -15    6    9 f  2650.92   83.883  110.595   6.9629  100.241   9.8334  121.007   9.8606  2515.88  124.824  2766.88  113.814 -251.0005 168.9221 
1 1 1  -15    6   11 o  2786.45   85.875  122.266   7.4926  114.678   10.588  129.879   10.604  2689.72  125.716  2864.48  118.228 -174.7585 172.5758 
1 1 1  -15    6   13 o  1016.48   68.862   16.316   2.1788   17.843   3.0937   14.814   3.0691  1059.41   94.245  962.894  103.411 96.51709 139.9144 
1 1 1  -15    6   15 f  2795.68   87.195  123.286   7.6330  127.316   10.801  119.266   10.788  2830.95  121.847  2738.68  125.804 92.26904 175.1380 
1 1 1  -15    6   17 o  3956.31  107.280  248.350   13.290  242.705   18.797  253.993   18.793  3883.47  154.579  3975.24  150.978 -91.77222 216.0763 
1 1 1  -15    6   19 o  241.764   94.482   0.5609   1.0361   1.2781   1.4703  -0.1465   1.4603  313.775  114.751  243.055  104.975 70.71925 155.5238 
1 1 1  -15    6   21 o  2099.08   91.278   69.952   5.9995   74.954   7.3195   59.712   10.473  2166.88  107.878  1895.66  178.539 271.2260 208.5998 
1 1 1  -15    6   23 o  446.396  100.250   3.3034   1.3670   2.3040   1.9284   4.3129   1.9381  389.611  132.355  507.474  123.204 -117.8634 180.8236 
1 1 1  -15    6   25 o  796.960   87.654   10.229   2.1512   9.7524   2.6822   11.087   3.6018  770.434  114.680  811.334  147.196 -40.90021 186.5963 
1 1 1  -15    6   27 o  1957.37   88.949   61.163   5.4517   60.706   6.7027   62.055   9.3710  1936.83  110.982  1927.83  156.593 8.997314 191.9331 
1 1 1  -15    6   29 o  2924.51  104.697  138.123   9.5875  142.614   11.769  129.266   16.530  2950.08  127.409  2723.48  195.127 226.6052 233.0402 
1 1 1  -15    6   31 o  2646.44   87.277  112.537   7.2323  112.063   10.211  113.014   10.245  2605.81  125.141  2616.97  125.031 -11.15649 176.8978 
1 1 1  -15    6   33 o  1026.65   76.493   16.989   2.4414   17.763   3.3941   16.159   3.5143  1036.58  106.063  982.958  116.441 53.62433 157.5059 
1 1 1  -15    6   35 o  2761.36   90.297  123.785   7.8075  118.221   11.031  129.372   11.052  2640.35  133.858  2774.79  127.207 -134.4360 184.6606 
1 1 1  -15    6   37 o  1215.13   85.146   23.975   3.2192   24.454   4.0047   23.099   5.4122  1215.36  106.300  1147.69  154.531 67.66882 187.5622 
1 1 1  -15    6   39 o  1534.33   87.381   38.246   4.1807   41.221   5.2166   32.902   6.9902  1579.71  106.077  1359.01  167.831 220.6981 198.5434 
1 1 1  -15    6   41 o  1365.97  106.628   31.016   4.5245   34.187   6.4987   28.034   6.3032  1395.16  151.178  1249.71  165.120 145.4401 223.8731 
1 1 1  -15    6   43 o  2182.93  117.806   80.758   8.0225   87.965   11.405   73.699   11.287  2196.44  167.077  1980.65  184.107 215.7977 248.6157 
1 1 1  -15    6   45 o  685.087  110.903   8.0970   2.2977   9.6929   2.9710   5.7216   3.6247  736.436  133.766  542.884  181.473 193.5522 225.4459 
1 1 1  -15    6   47 o  1111.31   95.169   20.777   3.2797   17.924   4.1099   25.778   5.4421  998.183  134.954  1181.29  150.549 -183.1103 202.1820 
1 1 1  -15    6   49 o  3436.36  126.475  212.727   13.609  216.950   16.724  204.452   23.413  3342.25  159.803  2778.34  272.638 563.9031 316.0201 
1 1 1  -15    6   51 o  2682.13  110.449  131.140   9.2759  138.605   11.437  116.791   15.856  2652.61  138.177  1984.04  261.608 668.5713 295.8570 
1 1 1  -15    6   53 o  922.075  143.752   18.806   4.0151   18.176   6.2667   19.245   5.2295  657.003  237.415  802.490  206.817 -145.4868 314.8635 
1 1 1  -15    6   55 o  864.230  162.381   20.090   4.2329   14.160   6.5556   24.329   5.5433  445.419  204.816  808.399  215.186 -362.9800 297.0765 
1 1 1  -15    6   57 o  1098.53  163.310   36.905   5.4466   29.395   7.8975   43.717   7.5215  469.831  219.059  815.718  260.705 -345.8875 340.5201 
1 1 1  -15    6   59 o  392.420  191.016   30.026   7.5187   30.026   7.5187   0.0000   0.0000  392.420  191.016  ?   ?  0.000000 191.0158 
1 1 1  -15    6   61 o  470.387  185.089   18.023   3.9993   21.931   5.9717   14.845   5.3853  321.688  159.239  291.629  145.486 30.05875 215.6927 
1 1 1  -15    7    2 o  1680.89   72.453   44.410   3.8134   43.056   5.4089   45.748   5.3771  1648.17  105.359  1699.84  101.487 -51.66919 146.2878 
1 1 1  -15    7    4 f  518.882   83.450   4.3423   1.3099   5.1568   1.8438   3.5122   1.8613  562.129  108.683  463.272  125.291 98.85635 165.8610 
1 1 1  -15    7    6 o  315.438   98.162   1.5580   1.0730   1.4310   1.5173   1.6851   1.5175  326.535  116.964  341.739  117.390 -15.20383 165.7137 
1 1 1  -15    7    8 o  485.684   86.855   3.8253   1.2724   4.2938   1.8538   3.4080   1.7497  510.911  118.220  455.942  120.670 54.96942 168.9297 
1 1 1  -15    7   10 o  1021.89   70.382   16.492   2.2383   16.144   3.1455   16.850   3.1858  1006.30  101.199  1028.46  100.201 -22.15820 142.4128 
1 1 1  -15    7   12 o  928.233   71.919   13.632   2.0740   12.444   2.9596   14.779   2.9073  880.216  109.766  962.623   97.813 -82.40753 147.0240 
1 1 1  -15    7   14 o  1054.83   70.358   17.585   2.3105   17.145   3.2763   18.020   3.2590  1036.07  102.327  1063.07   99.044 -26.99573 142.4096 
1 1 1  -15    7   16 o  1114.71   70.603   19.645   2.4516   20.268   3.4203   18.986   3.5160  1127.37   97.861  1089.48  104.340 37.88635 143.0512 
1 1 1  -15    7   18 o  1738.16   73.664   47.657   4.0092   44.439   5.6066   51.023   5.7353  1668.03  107.923  1789.36  102.795 -121.3325 149.0438 
1 1 1  -15    7   20 o  2014.46   90.127   64.373   5.6850   63.922   6.8910   65.334   10.059  1997.96  110.579  1994.66  162.470 3.302002 196.5306 
1 1 1  -15    7   22 o  822.749   86.441   10.859   2.1936   9.8318   2.7145   12.793   3.7242  775.041  115.369  878.238  140.138 -103.1970 181.5180 
1 1 1  -15    7   24 o  384.262  111.386   2.4233   1.4181   2.3196   1.7091   2.6523   2.5405  383.634  124.450  426.531  151.499 -42.89795 196.0604 
1 1 1  -15    7   26 o  1133.15   82.318   20.521   2.9008   21.874   3.6205   18.094   4.8479  1164.51  100.268  1037.63  153.871 126.8840 183.6572 
1 1 1  -15    7   28 o  1036.30   73.961   17.141   2.3842   18.638   3.3819   15.662   3.3617  1071.86  101.993  978.344  111.742 93.51996 151.2910 
1 1 1  -15    7   30 o  2997.59  107.259  145.825   10.068  148.803   17.366  144.318   12.356  2913.72  191.409  2953.46  133.603 -39.73096 233.4250 
1 1 1  -15    7   32 o  2760.04  103.209  124.116   8.9197  126.895   10.960  118.667   15.349  2763.58  126.658  2574.00  191.820 189.5813 229.8638 
1 1 1  -15    7   34 o  2077.03   93.116   69.998   6.0560   69.011   7.4540   71.913   10.387  2038.74  117.258  2025.94  165.174 12.79773 202.5630 
1 1 1  -15    7   36 o  903.011   94.624   13.374   2.6358   14.039   3.3011   12.203   4.3781  914.331  118.059  819.260  175.920 95.07092 211.8624 
1 1 1  -15    7   38 o  2959.85  134.499  147.565   12.465  143.436   17.629  151.694   17.629  2791.25  203.089  2884.65  196.341 -93.39111 282.4801 
1 1 1  -15    7   40 o  637.266  134.409   7.0886   2.5976   4.5915   3.6130   9.7608   3.7374  515.520  180.904  732.978  166.617 -217.4581 245.9420 
1 1 1  -15    7   42 o  4084.00  136.546  286.575   17.461  287.920   21.431  283.918   30.116  3992.74  171.420  3637.18  266.288 355.5610 316.6924 
1 1 1  -15    7   44 f  1734.32   88.259   49.408   4.7771   54.811   5.9472   39.581   8.0202  1809.02  105.448  1449.32  180.648 359.6981 209.1723 
1 1 1  -15    7   46 o  4741.60  163.471  416.254   24.271  413.163   29.760  422.395   41.940  4496.51  211.370  3820.70  354.608 675.8103 412.8245 
1 1 1  -15    7   48 o  1804.06   92.248   54.635   5.1936   59.706   6.5090   45.748   8.6161  1856.11  112.526  1504.58  186.911 351.5286 218.1692 
1 1 1  -15    7   50 o  269.852  117.375   0.2656   1.8517  -0.4929   2.4608   1.2556   2.8113  280.391  127.622  343.153  146.889 -62.76208 194.5859 
1 1 1  -15    7   52 o  930.565  107.312   16.293   3.0696   15.079   3.8588   18.386   5.0654  826.331  154.825  837.585  196.523 -11.25403 250.1835 
1 1 1  -15    7   54 o  2044.61  139.479   96.042   8.8764  120.658   12.876   73.751   12.253  1893.89  221.302  1029.51  333.145 864.3771 399.9503 
1 1 1  -15    7   56 o  851.540  157.610   20.111   4.0477   28.123   6.1964   14.147   5.3459  743.074  236.538  469.642  201.835 273.4326 310.9468 
1 1 1  -15    7   58 f  303.614  138.304   3.7127   2.8975  -3.3812   4.7490   7.9192   3.6570  236.027  119.912  371.489  163.180 -135.4624 202.5008 
1 1 1  -15    7   60 o  454.081  182.413   15.052   3.9637   16.526   6.3782   14.124   5.0592  306.133  153.544  333.990  161.139 -27.85724 222.5793 
1 1 1  -15    7   62 o  515.530  246.393  127.851   11.200  145.020   16.095  111.734   15.594  ?   ?   ?   ?  0.000000      ? 
1 1 1  -15    8    1 o  1046.85   69.734   17.305   2.2728   20.048   3.2158   14.568   3.2126  1123.79   92.200  953.604  109.580 170.1816 143.2080 
1 1 1  -15    8    3 o  607.447   78.535   5.9019   1.4588   7.4994   2.0863   4.3737   2.0406  682.079  100.716  515.030  127.269 167.0492 162.2993 
1 1 1  -15    8    5 o  2650.32   84.617  110.621   7.0222  111.373   9.9362  109.871   9.9256  2651.54  119.676  2633.42  120.370 18.12720 169.7387 
1 1 1  -15    8    7 o  660.339   77.799   6.9551   1.5778   6.6314   2.2677   7.2589   2.1966  637.260  117.989  669.299  108.531 -32.03888 160.3134 
1 1 1  -15    8    9 o  1734.90   72.784   47.344   3.9539   44.240   5.5678   50.501   5.6158  1669.21  107.091  1785.23  100.875 -116.0135 147.1197 
1 1 1  -15    8   11 o  1832.57   73.041   52.847   4.1913   54.739   5.9380   50.968   5.9167  1857.79  102.474  1791.66  105.936 66.13379 147.3880 
1 1 1  -15    8   13 o  2584.58   84.369  105.372   6.8279  105.120   9.6582  105.624   9.6541  2571.68  119.939  2577.95  119.596 -6.269775 169.3776 
1 1 1  -15    8   15 o  943.712   72.541   14.113   2.1272   13.070   2.9770   15.200   3.0405  901.303  107.612  974.300  101.138 -72.99750 147.6797 
1 1 1  -15    8   17 o  801.930   76.120   10.238   1.8885   9.6791   2.6134   10.848   2.7321  772.211  111.295  818.838  109.283 -46.62689 155.9788 
1 1 1  -15    8   19 o  908.172  105.434   13.306   2.9425   13.306   2.9425   0.0000   0.0000  908.172  105.434  ?   ?  0.000000 105.4342 
1 1 1  -15    8   21 o  679.775   91.163   7.4662   1.8916   7.7833   2.3514   6.8846   3.1842  688.940  112.915  636.728  159.924 52.21179 195.7690 
1 1 1  -15    8   23 o  2033.99   89.449   65.781   5.6969   65.513   7.0113   66.301   9.7731  2018.51  111.361  2005.11  156.912 13.40027 192.4128 
1 1 1  -15    8   25 o  1105.76   73.200   19.447   2.5202   18.587   3.5116   20.360   3.6189  1071.77  106.029  1122.78  104.119 -51.01282 148.6032 
1 1 1  -15    8   27 o  1193.39  105.023   23.068   3.8845   23.038   5.6171   23.097   5.3778  1169.10  157.445  1174.55  149.620 -5.454346 217.1982 
1 1 1  -15    8   29 o  1648.52   89.507   43.670   4.6030   41.733   5.6901   47.338   7.8297  1598.49  114.438  1678.30  150.594 -79.80164 189.1420 
1 1 1  -15    8   31 o  1873.16  109.698   57.422   6.4060   60.068   9.0438   54.757   9.0754  1876.08  155.348  1782.00  164.501 94.08142 226.2596 
1 1 1  -15    8   33 o  1276.64  154.502   28.143   6.0504   0.0000   0.0000   28.143   6.0504  ?   ?   1276.64  154.502 0.000000 154.5018 
1 1 1  -15    8   35 f  1656.33  107.196   45.025   5.5298   42.926   7.7847   47.163   7.8564  1573.65  160.220  1656.74  153.177 -83.08643 221.6612 
1 1 1  -15    8   37 o  330.041  128.662   1.2440   1.9177   1.0394   2.6699   1.4620   2.7564  359.443  147.725  378.324  152.068 -18.88174 212.0085 
1 1 1  -15    8   39 o  4237.51  137.294  302.980   18.217  306.517   22.348  295.974   31.448  4180.64  170.721  3830.93  263.774 349.7097 314.2014 
1 1 1  -15    8   41 o  2571.93  102.473  108.688   8.2524  107.943   10.133  110.155   14.222  2526.76  128.492  2455.35  186.378 71.41504 226.3776 
1 1 1  -15    8   43 o  2778.36  106.323  128.271   9.2498  122.513   11.355  139.628   15.947  2663.21  136.626  2734.09  187.405 -70.87744 231.9209 
1 1 1  -15    8   45 o  844.980  104.430   12.069   2.7042   11.299   3.3172   13.594   4.6693  796.356  138.031  838.830  182.927 -42.47339 229.1612 
1 1 1  -15    8   47 o  631.823  125.099   7.1311   2.3874   8.6150   2.9887   4.5151   3.9684  682.930  144.284  493.880  186.972 189.0504 236.1707 
1 1 1  -15    8   49 o  1833.05   96.525   57.450   5.5208   52.972   6.8187   65.971   9.4064  1705.63  128.620  1820.66  166.853 -115.0226 210.6729 
1 1 1  -15    8   51 o  922.499  101.939   15.411   2.8954   18.028   3.6982   11.266   4.6540  967.125  125.049  641.949  205.065 325.1758 240.1855 
1 1 1  -15    8   53 o  1700.58  138.136   63.100   7.2921   60.542   10.717   65.306   9.9509  1180.68  291.599  1426.48  230.654 -245.8037 371.7945 
1 1 1  -15    8   55 o  1345.11  100.715   36.323   4.2112   42.926   5.2827   24.810   6.9750  1392.55  122.394  620.166  244.304 772.3854 273.2484 
1 1 1  -15    8   57 o  1432.17  153.694   59.090   6.7846   73.963   10.208   47.323   9.0802  948.774  303.773  620.508  264.757 328.2661 402.9569 
1 1 1  -15    8   59 o  862.818  198.816   32.772   5.2610   34.924   8.1447   31.231   6.8916  409.654  199.269  472.940  214.609 -63.28693 292.8568 
1 1 1  -15    8   61 o  864.022  252.335   63.313   7.2534   66.508   10.614   60.513   9.9354  ?   ?   351.558  178.071 0.000000 178.0706 
1 1 1  -15    9    2 o  1831.88   72.314   52.801   4.1480   52.225   5.8840   53.369   5.8484  1814.19  104.014  1834.42  102.223 -20.23401 145.8372 
1 1 1  -15    9    4 o  2178.39   78.070   74.716   5.3252   72.813   7.5292   76.622   7.5328  2141.06  112.703  2200.03  109.347 -58.96313 157.0311 
1 1 1  -15    9    6 f  1069.89   70.400   18.081   2.3453   16.265   3.3244   19.881   3.3091  1008.39  106.917  1118.14   95.426 -109.7493 143.3091 
1 1 1  -15    9    8 o  365.470  100.875   2.1761   1.1922   1.9307   1.7102   2.4081   1.6629  363.779  124.636  390.935  122.294 -27.15552 174.6140 
1 1 1  -15    9   10 o  2463.57   82.253   95.684   6.3451   93.246   8.9685   98.127   8.9781  2423.06  118.206  2486.53  115.312 -63.47290 165.1346 
1 1 1  -15    9   12 o  2060.55   76.037   66.905   4.9060   62.397   6.9064   71.496   6.9703  1979.49  111.882  2123.94  104.807 -144.4445 153.3042 
1 1 1  -15    9   14 o  2260.77   79.376   80.642   5.6191   75.449   7.9258   85.889   7.9674  2174.04  116.857  2325.10  109.436 -151.0667 160.0994 
1 1 1  -15    9   16 o  580.700   96.595   5.4848   1.6947   7.8424   2.1190   1.3002   2.8231  696.142  100.089  386.600  154.426 309.5413 184.0244 
1 1 1  -15    9   18 o  928.622   84.997   13.761   2.4441   15.326   3.0723   11.062   4.0337  976.592  101.972  810.622  164.538 165.9706 193.5742 
1 1 1  -15    9   20 o  1303.05   82.768   26.993   3.3596   29.611   4.1316   21.886   5.7717  1361.08   97.592  1146.09  165.635 214.9878 192.2480 
1 1 1  -15    9   22 o  2792.59  101.875  124.410   8.9083  125.523   10.946  122.228   15.330  2791.82  125.213  2708.52  181.814 83.30518 220.7592 
1 1 1  -15    9   24 o  1411.06   84.055   31.727   3.6970   31.150   4.5651   32.827   6.3020  1391.15  105.588  1411.91  144.584 -20.76721 179.0339 
1 1 1  -15    9   26 o  822.710  113.946   11.102   2.8566   12.622   4.2595   9.8602   3.8509  859.259  164.302  756.328  167.063 102.9311 234.3184 
1 1 1  -15    9   28 o  424.928  117.989   3.0252   1.6257   3.4327   2.1250   2.4500   2.5245  453.677  137.601  413.776  150.509 39.90015 203.9288 
1 1 1  -15    9   30 o  1324.23  103.423   28.555   4.2544   28.710   5.9957   28.398   6.0378  1301.12  149.908  1292.55  152.090 8.572144 213.5502 
1 1 1  -15    9   32 o  646.560  169.318   7.4590   3.4685   0.0000   0.0000   7.4590   3.4685  ?   ?   646.560  169.318 0.000000 169.3177 
1 1 1  -15    9   34 o  294.322  119.954   0.6552   1.7421   0.2173   2.4930   1.0731   2.4353  323.834  138.464  350.269  142.181 -26.43488 198.4637 
1 1 1  -15    9   36 o  1571.18   88.344   39.820   4.3287   37.427   5.3584   44.315   7.3440  1508.27  114.308  1617.48  146.596 -109.2124 185.8945 
1 1 1  -15    9   38 o  2837.81  106.185  131.388   9.4355  126.985   11.586  140.056   16.258  2756.78  134.223  2811.59  185.717 -54.80298 229.1432 
1 1 1  -15    9   40 o  932.138   97.924   14.291   2.8154   14.744   3.5678   13.543   4.5836  933.252  125.254  864.214  175.376 69.03693 215.5116 
1 1 1  -15    9   42 o  3351.31  118.692  187.930   12.455  180.637   15.285  202.343   21.487  3220.98  151.553  3252.79  212.126 -31.81738 260.7025 
1 1 1  -15    9   44 o  843.463  103.408   11.938   2.6739   12.749   3.3269   10.458   4.4938  857.674  127.782  731.334  193.310 126.3406 231.7264 
1 1 1  -15    9   46 o  2193.27   98.009   79.957   6.7309   79.704   8.2960   80.445   11.514  2150.57  123.718  2058.56  180.453 92.00781 218.7912 
1 1 1  -15    9   48 o  450.808  149.108   3.8148   2.4490   2.0487   3.2140   6.2597   3.7817  392.746  161.825  548.230  185.351 -155.4844 246.0534 
1 1 1  -15    9   50 o  583.410  138.650   6.7636   2.4955   7.2425   3.1147   5.9051   4.1705  577.336  164.387  495.682  190.704 81.65353 251.7761 
1 1 1  -15    9   52 o  1329.26  101.793   32.821   4.2046   31.455   5.1866   35.440   7.1814  1226.69  137.388  1136.54  209.514 90.15637 250.5430 
1 1 1  -15    9   54 o  2880.44  136.580  187.758   12.319  184.425   15.135  194.298   21.202  2482.38  196.320  1273.14  438.714 1209.233 480.6363 
1 1 1  -15    9   56 f  2013.66  209.646  148.879   13.025  130.787   18.557  166.446   18.286  577.368  284.865  882.520  376.113 -305.1514 471.8148 
1 1 1  -15    9   58 o  370.552  178.648   14.892   6.1902   14.892   6.1902   0.0000   0.0000  370.552  178.648  ?   ?  0.000000 178.6480 
1 1 1  -15    9   60 o  595.980  290.835  230.187   17.746  249.622   25.393  211.634   24.810  ?   ?   ?   ?  0.000000      ? 
1 1 1  -15   10    1 f  1791.73   74.039   50.556   4.1538   48.827   5.8924   52.263   5.8566  1751.89  107.942  1813.83  103.547 -61.93958 149.5770 
1 1 1  -15   10    3 o  2810.51   86.847  124.641   7.6429  127.725   10.825  121.574   10.792  2834.34  121.970  2764.30  124.686 70.03809 174.4231 
1 1 1  -15   10    5 o  1670.34   73.096   43.924   3.8231   42.773   5.4281   45.056   5.3855  1639.98  106.276  1684.21  102.610 -44.23022 147.7280 
1 1 1  -15   10    7 o  2347.33   81.302   86.868   5.9758   86.049   8.4737   87.677   8.4286  2327.84  116.252  2350.24  114.531 -22.39722 163.1928 
1 1 1  -15   10    9 o  949.159   75.084   14.279   2.2133   13.317   3.1255   15.247   3.1347  909.414  112.134  975.696  104.216 -66.28137 153.0850 
1 1 1  -15   10   11 o  1114.93   71.292   19.656   2.4759   18.646   3.4569   20.719   3.5476  1079.80  103.511  1139.41  100.463 -59.60742 144.2472 
1 1 1  -15   10   13 o  1465.59   82.651   34.024   3.7775   36.459   4.6679   29.402   6.4302  1513.56   99.038  1341.79  155.955 171.7720 184.7441 
1 1 1  -15   10   15 o  283.535  108.079   0.8969   1.3318   1.4304   1.6581  -0.0730   2.2356  332.330  121.810  304.538  130.691 27.79163 178.6550 
1 1 1  -15   10   17 o  1922.99   87.266   58.545   5.2546   61.279   6.4616   53.206   9.0287  1959.61  105.697  1802.69  161.669 156.9272 193.1549 
1 1 1  -15   10   19 o  1952.78   87.870   60.430   5.3729   59.259   6.6123   62.706   9.2182  1924.18  110.204  1960.97  151.296 -36.78687 187.1778 
1 1 1  -15   10   21 o  1050.20   84.118   17.585   2.7429   19.454   3.3790   13.975   4.6970  1101.23   99.051  909.190  171.270 192.0417 197.8495 
1 1 1  -15   10   23 o  1151.04   87.208   21.159   3.1198   21.090   3.8997   21.283   5.1999  1142.45  110.388  1133.18  150.253 9.273193 186.4440 
1 1 1  -15   10   25 o  1446.25  104.589   33.691   4.7044   36.983   6.9442   30.899   6.3957  1493.98  150.493  1363.49  152.410 130.4916 214.1886 
1 1 1  -15   10   27 o  919.828  105.120   13.784   2.9733   16.249   4.2424   11.404   4.1683  985.165  141.596  811.079  169.584 174.0860 220.9252 
1 1 1  -15   10   29 o  857.218  109.579   12.084   2.8740   13.422   4.0792   10.764   4.0498  885.771  152.581  783.577  169.949 102.1948 228.3942 
1 1 1  -15   10   31 o  786.065  114.917   10.261   2.7450   10.530   3.8920   9.9949   3.8721  774.884  165.437  753.183  168.409 21.70056 236.0745 
1 1 1  -15   10   33 o  2312.46  117.351   87.572   8.4694   84.451   11.938   90.733   12.017  2214.20  173.583  2302.12  167.862 -87.92236 241.4719 
1 1 1  -15   10   35 o  909.548   96.527   13.468   2.7071   10.872   3.3579   18.286   4.5753  799.691  139.156  1039.09  144.535 -239.4026 200.6356 
1 1 1  -15   10   37 o  1714.94   91.391   47.462   4.8899   45.564   6.0488   51.041   8.3072  1664.64  116.786  1731.81  154.826 -67.17041 193.9328 
1 1 1  -15   10   39 o  1632.49   91.140   43.166   4.6402   40.259   5.7815   48.428   7.7789  1557.92  119.425  1683.91  149.071 -125.9916 191.0090 
1 1 1  -15   10   41 o  1212.13   92.483   23.985   3.4837   22.718   4.3293   26.312   5.8675  1163.12  120.626  1225.79  156.437 -62.66907 197.5426 
1 1 1  -15   10   43 o  776.739  109.159   10.158   2.5816   9.8289   3.2461   10.726   4.2587  745.344  144.301  755.324  182.174 -9.980103 232.4005 
1 1 1  -15   10   45 o  1234.05   96.554   25.233   3.7012   27.321   4.6963   21.809   6.0131  1265.99  119.898  1072.37  185.807 193.6143 221.1328 
1 1 1  -15   10   47 o  2723.38  107.342  125.848   9.1536  128.484   11.286  120.781   15.649  2694.80  133.749  2419.70  208.577 275.1030 247.7762 
1 1 1  -15   10   49 f  941.730  113.098   15.880   3.2683   12.703   4.1962   20.781   5.2110  773.462  177.081  1003.62  172.010 -230.1551 246.8704 
1 1 1  -15   10   51 o  2579.64  113.943  124.771   9.2037  122.816   11.339  128.544   15.756  2413.70  150.790  2072.57  247.695 341.1260 289.9832 
1 1 1  -15   10   53 o  2708.51  125.892  152.409   10.677  145.768   13.129  165.374   18.346  2377.36  177.657  1837.54  331.030 539.8164 375.6901 
1 1 1  -15   10   55 o  2129.46  181.497  133.442   11.986  127.047   17.119  139.593   16.789  868.968  366.835  1132.30  390.379 -263.3309 535.6896 
1 1 1  -15   10   57 f  633.499  300.415  122.096   16.003  122.096   16.003   0.0000   0.0000  633.499  300.415  ?   ?  0.000000 300.4151 
1 1 1  -15   10   59 o  1383.65  229.027   96.478   9.5756  104.198   13.912   89.529   13.199  480.961  238.939  455.793  227.445 25.16904 329.8836 
1 1 1  -15   11    2 o  1773.30   84.532   49.627   4.6938   51.052   8.1513   48.920   5.7411  1778.49  147.708  1753.83  105.026 24.66772 181.2410 
1 1 1  -15   11    4 f  2229.53  110.095   78.873   7.6860   89.810   10.969   68.324   10.773  2361.70  149.093  2050.26  169.321 311.4358 225.6066 
1 1 1  -15   11    6 o  311.277  118.628   1.0816   1.6042   1.6308   2.3975   0.6363   2.1587  379.694  144.946  325.795  133.239 53.89984 196.8808 
1 1 1  -15   11    8 o  1343.67  102.687   28.769   4.2877   27.561   6.1867   29.885   5.9478  1300.58  154.967  1359.14  141.847 -58.55640 210.0840 
1 1 1  -15   11   10 o  1712.60   83.110   46.298   4.4568   51.414   5.5190   36.708   7.5563  1799.22   98.335  1499.45  163.594 299.7654 190.8734 
1 1 1  -15   11   12 f  1876.65   85.097   55.638   5.0005   60.885   6.1786   45.675   8.5138  1957.00  101.173  1672.61  164.695 284.3898 193.2886 
1 1 1  -15   11   14 o  628.492   98.574   6.4082   1.8761   7.8435   2.4010   4.1578   3.0064  693.126  114.633  511.461  164.967 181.6654 200.8851 
1 1 1  -15   11   16 o  1213.65   82.828   23.386   3.1289   26.118   3.8944   18.411   5.2551  1279.48   97.949  1053.58  164.684 225.9041 191.6106 
1 1 1  -15   11   18 o  765.717   92.423   9.4256   2.1712   8.7534   2.7098   10.631   3.6285  730.251  122.872  798.683  150.612 -68.43146 194.3750 
1 1 1  -15   11   20 o  2730.17   99.959  118.596   8.5453  123.865   10.520  108.377   14.651  2779.90  120.857  2555.79  184.312 224.1167 220.4024 
1 1 1  -15   11   22 o  1947.21   88.431   60.205   5.3918   63.962   6.6717   53.132   9.1548  1997.88  107.037  1791.98  165.008 205.8986 196.6836 
1 1 1  -15   11   24 o  1881.97  157.106   58.628   9.1735   0.0000   0.0000   58.628   9.1735  ?   ?   1881.97  157.106 0.000000 157.1061 
1 1 1  -15   11   26 f  1096.67  104.583   19.488   3.5478   22.290   5.1666   16.988   4.8803  1156.07  145.981  1000.37  161.286 155.6981 217.5401 
1 1 1  -15   11   28 o  758.964  116.796   9.5411   2.6867   7.8865   3.8364   11.133   3.7637  669.204  179.414  806.259  154.707 -137.0554 236.9044 
1 1 1  -15   11   30 o  1300.12   88.238   27.163   3.5709   24.743   4.4215   31.704   6.0555  1228.95  116.282  1377.90  142.405 -148.9474 183.8497 
1 1 1  -15   11   32 o  1034.26   88.135   17.227   2.8270   21.198   3.5326   10.156   4.7146  1143.80   99.629  751.434  197.705 392.3671 221.3893 
1 1 1  -15   11   34 o  1075.76  105.229   18.844   3.4992   15.928   4.8843   21.919   5.0156  959.893  168.657  1143.25  143.255 -183.3600 221.2853 
1 1 1  -15   11   36 o  1721.99   92.247   47.744   4.9559   43.400   6.1351   55.901   8.4071  1625.18  121.439  1824.94  148.409 -199.7623 191.7618 
1 1 1  -15   11   38 o  1686.49   91.355   45.924   4.8063   44.562   5.9550   48.469   8.1406  1645.87  116.298  1685.26  156.037 -39.38318 194.6097 
1 1 1  -15   11   40 o  2477.82  100.907   99.948   7.8291   97.027   9.6494  105.577   13.393  2410.32  128.314  2448.96  175.826 -38.63623 217.6679 
1 1 1  -15   11   42 o  2577.11  102.893  108.834   8.3030  105.714   10.240  114.820   14.187  2502.72  131.124  2529.13  180.322 -26.40845 222.9560 
1 1 1  -15   11   44 o  5118.81  168.601  469.028   27.024  455.509   33.139  495.862   46.690  4842.19  218.564  4511.09  332.890 331.0928 398.2288 
1 1 1  -15   11   46 o  1319.65   97.819   29.056   4.0132   25.969   5.0598   34.291   6.5896  1213.99  135.416  1372.31  156.132 -158.3206 206.6753 
1 1 1  -15   11   48 o  2762.83  112.984  133.397   9.7744  130.070   12.035  139.844   16.754  2634.66  146.460  2505.84  215.619 128.8167 260.6567 
1 1 1  -15   11   50 o  1547.07  100.673   42.566   4.8503   36.175   6.0316   54.264   8.1596  1342.30  145.851  1595.70  165.722 -253.4064 220.7629 
1 1 1  -15   11   52 o  3065.35  136.220  195.843   13.075  188.327   16.093  210.442   22.427  2697.56  191.768  2038.90  364.671 658.6641 412.0196 
1 1 1  -15   11   54 f  2574.92  299.573  314.306   23.702  290.732   33.700  337.382   33.343  626.727  318.504  765.395  378.410 -138.6683 494.6099 
1 1 1  -15   11   56 o  1694.80  165.162   81.168   8.6535   81.168   8.6535   0.0000   0.0000  1694.80  165.162  ?   ?  0.000000 165.1621 
1 1 1  -15   11   58 f  1076.47  189.093   41.840   6.1412   32.365   8.8950   50.469   8.4891  425.531  207.271  732.942  274.318 -307.4107 343.8195 
1 1 1  -15   12    1 o  2195.68  110.518   76.692   7.5741   88.735   10.798   65.027   10.627  2348.02  147.614  1998.87  171.449 349.1515 226.2399 
1 1 1  -15   12    3 f  867.371   90.155   12.010   2.4128   12.320   3.0424   11.484   3.9610  873.753  113.909  832.238  157.774 41.51508 194.5969 
1 1 1  -15   12    5 o  1251.72  101.103   24.966   3.9288   23.950   5.5666   25.975   5.5459  1213.27  149.702  1266.38  142.324 -53.10803 206.5591 
1 1 1  -15   12    7 o  607.581  120.221   6.0718   2.2062   6.6616   3.2387   5.5611   3.0136  631.131  162.808  578.741  160.623 52.39038 228.7059 
1 1 1  -15   12    9 o  1065.05  100.984   18.124   3.3275   22.928   4.8465   13.840   4.5768  1191.30  132.150  912.747  166.262 278.5526 212.3836 
1 1 1  -15   12   11 o  611.917  119.165   6.1580   2.2012   7.3107   3.3174   5.2513   2.9421  660.323  161.729  562.974  159.583 97.34802 227.2069 
1 1 1  -15   12   13 o  1517.81  102.527   36.702   4.8441   39.906   6.9789   33.723   6.7292  1570.38  143.514  1439.84  151.530 130.5333 208.7050 
1 1 1  -15   12   15 o  1798.27  106.993   51.568   5.9973   52.511   8.5754   50.665   8.3906  1797.51  153.841  1765.65  153.287 31.85779 217.1724 
1 1 1  -15   12   17 o  894.337  175.770   13.473   4.7467   13.473   4.7467   0.0000   0.0000  894.337  175.770  ?   ?  0.000000 175.7702 
1 1 1  -15   12   19 o  531.916  117.349   4.6944   1.9021   4.4412   2.4776   5.0579   2.9683  516.941  146.413  551.472  161.525 -34.53070 218.0071 
1 1 1  -15   12   21 o  1898.28  109.545   57.772   6.4837   56.460   9.2372   59.046   9.1029  1851.76  160.908  1897.52  154.549 -45.75684 223.1072 
1 1 1  -15   12   23 o  1043.15  153.588   18.157   4.8666   0.0000   0.0000   18.157   4.8666  ?   ?   1043.15  153.588 0.000000 153.5884 
1 1 1  -15   12   25 o  1437.16  106.570   33.331   4.7616   27.527   6.7940   38.935   6.6754  1273.39  175.017  1537.77  140.174 -264.3781 224.2313 
1 1 1  -15   12   27 o  304.754  120.471   0.8882   1.7016   0.0874   2.3251   1.8119   2.4970  312.758  133.723  386.558  147.839 -73.79962 199.3443 
1 1 1  -15   12   29 o  2503.94   99.369  100.579   7.7910   99.873   9.6025  101.939   13.328  2478.79  123.717  2455.29  174.491 23.50024 213.8996 
1 1 1  -15   12   31 o  837.736  103.322   11.430   2.6529   13.176   3.4975   9.0652   4.0710  891.291  129.076  719.228  180.927 172.0630 222.2504 
1 1 1  -15   12   33 o  3165.42  111.857  161.802   11.087  159.011   13.639  167.238   19.035  3111.27  140.005  3116.98  196.027 -5.707275 240.8901 
1 1 1  -15   12   35 o  1184.91   93.204   22.627   3.4302   20.732   4.3373   25.791   5.6049  1120.89  125.745  1240.52  147.164 -119.6272 193.5691 
1 1 1  -15   12   37 o  1312.63   93.392   27.824   3.8135   25.836   4.8360   31.095   6.2014  1249.54  125.289  1357.88  148.261 -108.3411 194.1097 
1 1 1  -15   12   39 o  1381.12   92.816   30.884   3.9906   28.583   5.0249   34.814   6.5668  1311.76  123.801  1431.22  148.703 -119.4672 193.4922 
1 1 1  -15   12   41 o  2564.77  102.766  107.241   8.2531  104.822   10.198  111.833   14.049  2502.65  130.591  2514.65  179.608 -11.99609 222.0658 
1 1 1  -15   12   43 o  2416.08  104.025   95.809   7.8699   86.454   9.7363  113.441   13.367  2251.88  138.756  2530.43  169.681 -278.5471 219.1914 
1 1 1  -15   12   45 o  1718.99   95.974   48.786   5.1453   49.584   6.4126   47.343   8.6211  1707.79  120.695  1602.17  174.674 105.6182 212.3167 
1 1 1  -15   12   47 o  4352.23  153.468  352.102   20.915  353.640   25.679  349.072   36.047  4152.08  197.510  3411.83  342.018 740.2571 394.9516 
1 1 1  -15   12   49 o  2609.28  113.833  122.357   9.3005  112.598   11.483  140.962   15.856  2373.35  155.380  2456.34  208.111 -82.99561 259.7172 
1 1 1  -15   12   51 o  2516.52  116.895  120.114   9.2111  108.455   11.355  142.547   15.751  2205.62  165.626  2266.81  224.880 -61.19067 279.2900 
1 1 1  -15   12   53 o  1744.06  107.924   58.866   5.8648   52.608   7.2499   70.715   9.9765  1502.04  156.442  1558.35  209.783 -56.31299 261.6920 
1 1 1  -15   12   55 o  411.456  188.915   8.5038   5.5488   8.5038   5.5488   0.0000   0.0000  411.456  188.915  ?   ?  0.000000 188.9152 
1 1 1  -15   12   57 o  447.372  181.590   9.5124   3.9723   7.0872   5.9806   11.427   5.3136  341.069  166.951  411.904  187.501 -70.83478 251.0564 
1 1 1  -15   12   59 o  493.133  244.250  103.341   14.126   0.0000   0.0000  103.341   14.126  ?   ?   493.133  244.250 0.000000 244.2503 
1 1 1  -15   13    2 o  475.278  120.686   3.7297   1.7994   3.7420   2.2468   3.7079   3.0047  479.315  140.571  492.688  165.223 -13.37274 216.9305 
1 1 1  -15   13    4 o  713.955   95.168   8.1967   2.0746   10.775   2.6137   3.8069   3.4105  818.391  104.372  507.461  175.892 310.9303 204.5279 
1 1 1  -15   13    6 o  1226.45   85.675   23.852   3.2695   23.701   4.0526   24.134   5.5336  1218.17  107.341  1218.72  148.045 -0.5537109 182.8644 
1 1 1  -15   13    8 o  627.930  105.117   6.4123   1.9938   9.0437   2.5216   2.0240   3.2564  747.075  111.184  433.836  168.065 313.2389 201.5135 
1 1 1  -15   13   10 o  1313.26   83.599   27.326   3.4198   27.892   4.2306   26.261   5.8091  1322.81  102.949  1271.01  148.779 51.80615 180.9249 
1 1 1  -15   13   12 o  1508.62  104.303   36.265   4.8969   34.895   7.0181   37.564   6.8361  1464.27  155.443  1523.40  145.061 -59.13708 212.6158 
1 1 1  -15   13   14 o  2177.03  112.406   75.589   7.6363   81.400   10.978   70.142   10.629  2239.98  157.522  2075.04  164.950 164.9373 228.0830 
1 1 1  -15   13   16 o  1260.84  160.979   26.141   6.2104   26.141   6.2104   0.0000   0.0000  1260.84  160.979  ?   ?  0.000000 160.9788 
1 1 1  -15   13   18 o  1072.55  147.243   18.906   4.8146   0.0000   0.0000   18.906   4.8146  ?   ?   1072.55  147.243 0.000000 147.2433 
1 1 1  -15   13   20 f  1060.38  154.999   18.649   4.9945   0.0000   0.0000   18.649   4.9945  ?   ?   1060.38  154.999 0.000000 154.9991 
1 1 1  -15   13   22 o  533.744  168.166   4.6889   3.1381   0.0000   0.0000   4.6889   3.1381  ?   ?   533.744  168.166 0.000000 168.1659 
1 1 1  -15   13   24 o  689.468  170.190   8.1782   3.6520   0.0000   0.0000   8.1782   3.6520  ?   ?   689.468  170.190 0.000000 170.1902 
1 1 1  -15   13   26 o  1425.96  152.710   33.752   6.7125   0.0000   0.0000   33.752   6.7125  ?   ?   1425.96  152.710 0.000000 152.7105 
1 1 1  -15   13   28 o  1321.96  152.900   29.060   6.2123   0.0000   0.0000   29.060   6.2123  ?   ?   1321.96  152.900 0.000000 152.8999 
1 1 1  -15   13   30 o  350.708  145.718   0.6412   2.6368   0.0000   0.0000   0.6412   2.6368  ?   ?   350.708  145.718 0.000000 145.7184 
1 1 1  -15   13   32 o  4418.11  261.659  352.681   36.037   0.0000   0.0000  352.681   36.037  ?   ?   4418.11  261.659 0.000000 261.6588 
1 1 1  -15   13   34 o  1549.96  155.532   40.133   7.4466   0.0000   0.0000   40.133   7.4466  ?   ?   1549.96  155.532 0.000000 155.5317 
1 1 1  -15   13   36 o  1361.40  156.423   31.276   6.5470   0.0000   0.0000   31.276   6.5470  ?   ?   1361.40  156.423 0.000000 156.4229 
1 1 1  -15   13   38 o  794.884  200.032   11.501   4.9748   11.501   4.9748   0.0000   0.0000  794.884  200.032  ?   ?  0.000000 200.0317 
1 1 1  -15   13   40 o  3028.67  136.819  152.901   12.975  147.713   18.454  157.973   18.248  2862.12  207.317  2979.60  196.689 -117.4805 285.7739 
1 1 1  -15   13   42 o  683.990  149.983   8.2290   3.1238   10.574   5.0009   6.7285   4.0002  746.988  206.770  607.464  189.617 139.5236 280.5497 
1 1 1  -15   13   44 o  3895.74  168.617  271.270   20.569  251.205   29.133  291.214   29.045  3414.19  274.832  3775.27  247.061 -361.0803 369.5563 
1 1 1  -15   13   46 o  975.586  135.778   17.013   4.0353   9.9199   5.8053   23.644   5.6131  662.337  229.488  1121.54  164.745 -459.2002 282.4993 
1 1 1  -15   13   48 o  691.110  207.979   11.304   4.8685   0.0000   0.0000   11.304   4.8685  ?   ?   691.110  207.979 0.000000 207.9791 
1 1 1  -15   13   50 o  1033.75  215.803   27.170   6.7597   0.0000   0.0000   27.170   6.7597  ?   ?   1033.75  215.803 0.000000 215.8029 
1 1 1  -15   13   52 o  1456.44  231.181   62.914   10.191   0.0000   0.0000   62.914   10.191  ?   ?   1456.44  231.181 0.000000 231.1807 
1 1 1  -15   13   56 o  471.447  207.227   14.067   5.9064   0.0000   0.0000   14.067   5.9064  ?   ?   471.447  207.227 0.000000 207.2271 
1 1 1  -15   13   58 o  639.256  290.305   85.532   12.642   0.0000   0.0000   85.532   12.642  ?   ?   639.256  290.305 0.000000 290.3047 
1 1 1  -15   14    1 o  781.542  101.238   9.8259   2.4193   9.2388   2.8627   11.293   4.5256  751.995  126.032  819.664  181.149 -67.66907 220.6792 
1 1 1  -15   14    3 o  1156.62   89.772   21.251   3.2258   20.657   3.8853   22.570   5.7873  1135.97  110.633  1174.10  161.708 -38.12854 195.9314 
1 1 1  -15   14    5 f  885.279   94.921   12.528   2.5902   11.390   3.0275   15.635   5.0033  838.657  118.594  971.044  170.784 -132.3876 207.9225 
1 1 1  -15   14    7 o  1408.40   85.816   31.421   3.7665   27.332   4.5308   40.568   6.7764  1307.72  111.720  1587.60  137.676 -279.8871 177.3024 
1 1 1  -15   14    9 o  1054.79  107.641   17.823   3.5053   23.353   5.2024   13.226   4.7438  1200.14  141.135  889.180  176.608 310.9601 226.0740 
1 1 1  -15   14   11 o  1615.71  106.107   41.586   5.3383   40.269   7.6524   42.835   7.4506  1573.69  157.408  1626.97  147.864 -53.27478 215.9656 
1 1 1  -15   14   13 o  1229.51  106.390   24.174   4.0555   25.821   5.9256   22.723   5.5623  1257.25  153.722  1178.10  154.509 79.14856 217.9536 
1 1 1  -15   14   15 o  1279.84  161.279   26.914   6.3197   26.914   6.3197   0.0000   0.0000  1279.84  161.279  ?   ?  0.000000 161.2785 
1 1 1  -15   14   17 o  1714.15  106.121   46.940   5.6679   52.836   8.2001   41.547   7.8432  1803.21  146.495  1592.24  159.457 210.9663 216.5354 
1 1 1  -15   14   19 o  372.852  134.011   1.9193   1.9935  -0.1894   3.1565   3.3183   2.5710  356.603  154.176  460.971  152.792 -104.3682 217.0612 
1 1 1  -15   14   21 o  1322.61  150.070   28.782   6.1050   0.0000   0.0000   28.782   6.1050  ?   ?   1322.61  150.070 0.000000 150.0701 
1 1 1  -15   14   23 o  542.447  161.113   4.9141   2.9358   0.0000   0.0000   4.9141   2.9358  ?   ?   542.447  161.113 0.000000 161.1134 
1 1 1  -15   14   25 o  611.709  173.298   6.3629   3.4706   0.0000   0.0000   6.3629   3.4706  ?   ?   611.709  173.298 0.000000 173.2976 
1 1 1  -15   14   27 o  1904.76  159.476   59.804   9.4240   0.0000   0.0000   59.804   9.4240  ?   ?   1904.76  159.476 0.000000 159.4756 
1 1 1  -15   14   29 o  1343.31  156.781   29.879   6.4705   0.0000   0.0000   29.879   6.4705  ?   ?   1343.31  156.781 0.000000 156.7809 
1 1 1  -15   14   31 o  2441.33  173.314   99.212   13.163   0.0000   0.0000   99.212   13.163  ?   ?   2441.33  173.314 0.000000 173.3139 
1 1 1  -15   14   33 o  2221.94  169.052   82.450   11.673   0.0000   0.0000   82.450   11.673  ?   ?   2221.94  169.052 0.000000 169.0522 
1 1 1  -15   14   35 o  3618.16  223.198  230.418   25.163   0.0000   0.0000  230.418   25.163  ?   ?   3618.16  223.198 0.000000 223.1977 
1 1 1  -15   14   37 o  2554.62  181.807  111.806   14.448   0.0000   0.0000  111.806   14.448  ?   ?   2554.62  181.807 0.000000 181.8071 
1 1 1  -15   14   39 o  1662.75  163.494   47.128   8.4022   0.0000   0.0000   47.128   8.4022  ?   ?   1662.75  163.494 0.000000 163.4941 
1 1 1  -15   14   41 o  3040.60  206.003  166.700   19.498   0.0000   0.0000  166.700   19.498  ?   ?   3040.60  206.003 0.000000 206.0033 
1 1 1  -15   14   43 o  1100.24  180.790   22.014   6.0120   0.0000   0.0000   22.014   6.0120  ?   ?   1100.24  180.790 0.000000 180.7903 
1 1 1  -15   14   47 o  2173.05  203.774  100.880   13.704   0.0000   0.0000  100.880   13.704  ?   ?   2173.05  203.774 0.000000 203.7736 
1 1 1  -15   14   49 o  587.853  210.677   9.0759   4.9234   0.0000   0.0000   9.0759   4.9234  ?   ?   587.853  210.677 0.000000 210.6772 
1 1 1  -15   14   51 o  441.900  190.684   4.9650   4.8097   0.0000   0.0000   4.9650   4.8097  ?   ?   441.900  190.684 0.000000 190.6843 
1 1 1  -15   14   53 f  756.536  248.221   22.661   6.7919   0.0000   0.0000   22.661   6.7919  ?   ?   756.536  248.221 0.000000 248.2212 
1 1 1  -15   14   55 o  1045.46  292.324   55.853   9.9427   0.0000   0.0000   55.853   9.9427  ?   ?   1045.46  292.324 0.000000 292.3242 
1 1 1  -15   14   57 o  581.144  246.123   30.052   7.7462   0.0000   0.0000   30.052   7.7462  ?   ?   581.144  246.123 0.000000 246.1226 
1 1 1  -15   15    2 o  427.022  172.905   1.3728   3.5919   1.3728   3.5919   0.0000   0.0000  427.022  172.905  ?   ?  0.000000 172.9048 
1 1 1  -15   15    4 o  2614.73  178.903  111.307   14.559  111.307   14.559   0.0000   0.0000  2614.73  178.903  ?   ?  0.000000 178.9032 
1 1 1  -15   15    6 o  2043.75  164.232   67.763   10.421   67.763   10.421   0.0000   0.0000  2043.75  164.232  ?   ?  0.000000 164.2324 
1 1 1  -15   15    8 o  538.934  155.367   4.7826   2.7658   3.6059   3.8912   5.9843   3.9321  513.100  186.825  605.521  187.831 -92.42017 264.9230 
1 1 1  -15   15   10 f  976.076  121.229   15.397   3.6254   12.073   5.0892   18.822   5.1658  843.096  196.423  1069.84  159.043 -226.7490 252.7389 
1 1 1  -15   15   12 o  1594.64  111.065   40.616   5.5111   37.914   7.7232   43.419   7.8665  1522.46  164.628  1633.87  155.643 -111.4055 226.5546 
1 1 1  -15   15   14 o  563.312  180.740   5.1098   3.6123   5.1098   3.6123   0.0000   0.0000  563.312  180.740  ?   ?  0.000000 180.7399 
1 1 1  -15   15   16 o  871.041  112.684   12.282   3.0013   19.288   4.6200   7.1656   3.9479  1087.08  138.901  651.628  184.910 435.4539 231.2685 
1 1 1  -15   15   18 o  1589.31  106.546   40.389   5.2716   45.190   7.6368   36.019   7.2859  1665.94  147.936  1481.22  159.610 184.7216 217.6246 
1 1 1  -15   15   20 o  1248.21  108.221   25.012   4.1879   27.494   6.1926   22.921   5.6852  1292.62  156.161  1178.05  158.112 114.5762 222.2294 
1 1 1  -15   15   22 o  2185.80  112.891   76.493   7.7002   85.979   11.000   67.377   10.783  2296.41  153.863  2021.64  171.973 274.7667 230.7566 
1 1 1  -15   15   24 o  1216.15  109.898   23.773   4.1398   24.343   6.1381   23.297   5.6070  1211.30  166.214  1189.18  154.209 22.11853 226.7323 
1 1 1  -15   15   26 o  1034.27  115.531   17.294   3.6776   16.765   5.2250   17.813   5.1772  999.218  173.278  1033.55  165.561 -34.33069 239.6577 
1 1 1  -15   15   28 o  1122.89  110.932   20.317   3.8494   22.928   5.5571   17.908   5.3373  1178.85  154.247  1033.59  170.885 145.2617 230.2040 
1 1 1  -15   15   30 o  3190.42  135.503  164.456   13.537  175.499   19.211  153.565   19.077  3243.16  190.005  3020.12  202.911 223.0461 277.9839 
1 1 1  -15   15   32 o  1001.99  120.074   16.366   3.6923   15.891   5.5016   16.756   4.9805  960.563  189.646  997.310  165.273 -36.74774 251.5567 
1 1 1  -15   15   34 o  1138.40  163.467   21.815   5.6598   0.0000   0.0000   21.815   5.6598  ?   ?   1138.40  163.467 0.000000 163.4670 
1 1 1  -15   15   36 o  627.036  191.981   6.8068   4.1231   0.0000   0.0000   6.8068   4.1231  ?   ?   627.036  191.981 0.000000 191.9812 
1 1 1  -15   15   38 o  1907.45  165.981   61.495   9.8147   0.0000   0.0000   61.495   9.8147  ?   ?   1907.45  165.981 0.000000 165.9814 
1 1 1  -15   15   40 o  2656.82  188.954  123.221   15.617   0.0000   0.0000  123.221   15.617  ?   ?   2656.82  188.954 0.000000 188.9544 
1 1 1  -15   15   42 o  696.862  207.788   9.1967   4.8761   0.0000   0.0000   9.1967   4.8761  ?   ?   696.862  207.788 0.000000 207.7875 
1 1 1  -15   15   44 o  3015.90  224.883  182.986   21.084   0.0000   0.0000  182.986   21.084  ?   ?   3015.90  224.883 0.000000 224.8829 
1 1 1  -15   15   46 o  708.917  221.666   11.478   5.4640   0.0000   0.0000   11.478   5.4640  ?   ?   708.917  221.666 0.000000 221.6658 
1 1 1  -15   15   48 o  1514.97  198.989   50.399   9.2112   0.0000   0.0000   50.399   9.2112  ?   ?   1514.97  198.989 0.000000 198.9892 
1 1 1  -15   15   50 o  895.529  236.284   22.435   6.7218   0.0000   0.0000   22.435   6.7218  ?   ?   895.529  236.284 0.000000 236.2840 
1 1 1  -15   15   52 o  945.721  241.017   28.038   7.1580   0.0000   0.0000   28.038   7.1580  ?   ?   945.721  241.017 0.000000 241.0166 
1 1 1  -15   15   54 o  639.284  245.221   19.952   6.8829   0.0000   0.0000   19.952   6.8829  ?   ?   639.284  245.221 0.000000 245.2214 
1 1 1  -15   15   56 o  302.914  149.607  -0.2978   5.1652   0.0000   0.0000  -0.2978   5.1652  ?   ?   302.914  149.607 0.000000 149.6075 
1 1 1  -15   16    1 o  950.524  191.712   15.203   5.5091   15.203   5.5091   0.0000   0.0000  950.524  191.712  ?   ?  0.000000 191.7118 
1 1 1  -15   16    3 o  2479.72  121.626   97.870   9.4438  104.149   13.350   91.581   13.361  2533.64  169.246  2368.94  181.505 164.6956 248.1703 
1 1 1  -15   16    7 f  1073.82  175.907   19.123   5.7098   19.123   5.7098   0.0000   0.0000  1073.82  175.907  ?   ?  0.000000 175.9074 
1 1 1  -15   16    9 o  1373.84  168.701   30.941   7.1047   30.941   7.1047   0.0000   0.0000  1373.84  168.701  ?   ?  0.000000 168.7005 
1 1 1  -15   16   11 o  1286.22  164.574   27.133   6.4762   27.133   6.4762   0.0000   0.0000  1286.22  164.574  ?   ?  0.000000 164.5744 
1 1 1  -15   16   13 o  1010.68  177.457   17.047   5.4111   17.047   5.4111   0.0000   0.0000  1010.68  177.457  ?   ?  0.000000 177.4573 
1 1 1  -15   16   15 o  1691.70  112.437   45.722   5.9220   39.498   8.2869   52.218   8.4661  1550.12  173.717  1793.99  152.144 -243.8745 230.9232 
1 1 1  -15   16   17 o  1101.46  119.677   19.563   4.0612   14.282   5.6292   25.294   5.8647  914.870  201.912  1243.44  153.917 -328.5668 253.8875 
1 1 1  -15   16   19 f  484.337  161.865   3.6195   2.8837   5.8927   3.9436   1.0072   4.2275  600.299  188.416  443.660  184.438 156.6385 263.6625 
1 1 1  -15   16   21 o  2558.91  178.239  107.218   14.192   0.0000   0.0000  107.218   14.192  ?   ?   2558.91  178.239 0.000000 178.2386 
1 1 1  -15   16   23 o  984.308  173.574   16.174   5.1542   16.174   5.1542   0.0000   0.0000  984.308  173.574  ?   ?  0.000000 173.5736 
1 1 1  -15   16   25 o  1176.58  116.786   22.275   4.2458   24.964   6.1332   19.801   5.8834  1231.36  163.081  1089.04  178.734 142.3282 241.9531 
1 1 1  -15   16   27 o  3564.21  144.787  204.826   16.159  213.780   22.914  195.968   22.790  3584.73  204.994  3423.03  213.696 161.6990 296.1224 
1 1 1  -15   16   29 o  665.783  157.764   7.4809   3.2386   5.8557   4.6385   9.0266   4.5237  606.490  205.278  725.467  194.961 -118.9768 283.1056 
1 1 1  -15   16   31 o  3164.64  136.107  161.812   13.487  171.656   19.122  152.067   19.026  3206.76  191.308  3005.64  203.355 201.1248 279.1991 
1 1 1  -15   16   33 o  3208.55  136.510  166.924   13.715  183.439   19.469  150.654   19.323  3307.78  188.753  2974.98  208.755 332.8025 281.4362 
1 1 1  -15   16   35 o  2339.91  121.121   88.583   8.8439   85.071   12.531   92.069   12.483  2250.29  179.331  2348.70  170.914 -98.40381 247.7322 
1 1 1  -15   16   37 o  3306.40  141.415  179.183   14.641  179.513   20.761  178.857   20.650  3223.73  206.760  3218.98  205.956 4.747559 291.8350 
1 1 1  -15   16   39 o  1295.81  122.935   27.610   4.9284   27.848   7.1436   27.393   6.8080  1264.47  185.979  1259.42  177.563 5.049683 257.1323 
1 1 1  -15   16   41 o  2755.89  198.087  136.263   16.980  136.263   16.980   0.0000   0.0000  2755.89  198.087  ?   ?  0.000000 198.0865 
1 1 1  -15   16   43 o  1781.86  118.874   53.447   6.5944   59.618   9.4121   47.497   9.2421  1822.78  166.752  1599.12  188.176 223.6626 251.4288 
1 1 1  -15   16   45 o  488.685  173.699   4.4230   3.3402   1.7793   4.8422   6.8229   4.6136  439.185  190.416  576.611  204.228 -137.4263 279.2262 
1 1 1  -15   16   47 o  2145.72  130.163   83.157   8.7040   72.429   12.347   93.753   12.272  1784.93  225.982  2140.50  184.908 -355.5724 291.9908 
1 1 1  -15   16   49 o  719.341  237.690   14.697   6.2238   0.0000   0.0000   14.697   6.2238  ?   ?   719.341  237.690 0.000000 237.6903 
1 1 1  -15   16   51 o  372.933  175.129   0.5578   5.2002   0.0000   0.0000   0.5578   5.2002  ?   ?   372.933  175.129 0.000000 175.1290 
1 1 1  -15   16   53 o  645.367  245.930   17.986   6.8942   0.0000   0.0000   17.986   6.8942  ?   ?   645.367  245.930 0.000000 245.9303 
1 1 1  -15   16   55 o  874.692  289.935   42.461   9.2578   0.0000   0.0000   42.461   9.2578  ?   ?   874.692  289.935 0.000000 289.9352 
1 1 1  -15   17    2 o  902.799  139.186   13.294   3.8082   16.992   5.5817   10.073   5.2087  1010.67  183.119  772.148  209.918 238.5253 278.5641 
1 1 1  -15   17    4 o  2039.21  167.040   67.361   10.572   67.361   10.572   0.0000   0.0000  2039.21  167.040  ?   ?  0.000000 167.0405 
1 1 1  -15   17    6 o  1181.91  120.906   22.420   4.4115   25.483   6.2211   19.321   6.2567  1249.18  162.926  1075.90  192.801 173.2798 252.4221 
1 1 1  -15   17    8 o  837.842  203.183   11.897   5.2756   0.0000   0.0000   11.897   5.2756  ?   ?   837.842  203.183 0.000000 203.1830 
1 1 1  -15   17   10 o  922.390  141.199   13.892   3.9484   13.604   5.5020   14.199   5.6694  896.770  200.923  915.993  203.000 -19.22345 285.6205 
1 1 1  -15   17   12 o  1565.24  162.550   39.826   7.8507   39.826   7.8507   0.0000   0.0000  1565.24  162.550  ?   ?  0.000000 162.5503 
1 1 1  -15   17   14 o  836.808  195.772   11.842   5.0385   11.842   5.0385   0.0000   0.0000  836.808  195.772  ?   ?  0.000000 195.7723 
1 1 1  -15   17   16 o  865.119  193.835   12.635   5.1206   12.635   5.1206   0.0000   0.0000  865.119  193.835  ?   ?  0.000000 193.8345 
1 1 1  -15   17   18 o  784.560  197.568   10.417   4.8507   10.417   4.8507   0.0000   0.0000  784.560  197.568  ?   ?  0.000000 197.5678 
1 1 1  -15   17   22 o  1595.93  163.711   41.455   8.0652   41.455   8.0652   0.0000   0.0000  1595.93  163.711  ?   ?  0.000000 163.7109 
1 1 1  -15   17   24 o  1263.89  172.129   26.298   6.6349   26.298   6.6349   0.0000   0.0000  1263.89  172.129  ?   ?  0.000000 172.1291 
1 1 1  -15   17   26 o  1077.13  128.468   18.788   4.2474   18.209   5.7200   19.499   6.3415  1043.60  181.641  1075.83  195.446 -32.23254 266.8198 
1 1 1  -15   17   28 o  1989.10  168.171   64.780   10.376   64.780   10.376   0.0000   0.0000  1989.10  168.171  ?   ?  0.000000 168.1714 
1 1 1  -15   17   30 o  2152.86  120.399   74.388   8.0837   75.925   11.305   72.781   11.564  2149.71  169.311  2099.60  177.563 50.11255 245.3464 
1 1 1  -15   17   32 o  1006.40  140.557   16.664   4.3085   16.164   5.8658   17.250   6.3491  968.823  199.989  997.464  209.926 -28.64172 289.9387 
1 1 1  -15   17   34 o  1768.12  119.510   50.438   6.5777   53.128   9.1433   47.552   9.4699  1791.54  164.838  1684.01  182.510 107.5228 245.9300 
1 1 1  -15   17   36 o  999.576  136.182   16.505   4.1514   8.8867   5.8200   24.398   5.9235  714.279  229.439  1207.51  160.650 -493.2342 280.0899 
1 1 1  -15   17   38 o  2445.22  125.196   97.546   9.5536   99.425   13.536   95.682   13.486  2417.62  180.098  2368.14  183.294 49.47900 256.9669 
1 1 1  -15   17   40 o  1997.67  121.550   65.781   7.5670   70.799   10.803   60.948   10.603  2023.03  172.178  1863.84  184.077 159.1852 252.0504 
1 1 1  -15   17   42 o  361.870  157.134   0.2172   3.3074   2.9775   4.8197  -2.2396   4.5471  487.691  199.229  366.608  169.296 121.0835 261.4448 
1 1 1  -15   17   44 o  2174.68  127.749   81.643   8.6608   86.687   12.304   76.688   12.194  2134.37  185.956  1982.10  199.161 152.2615 272.4784 
1 1 1  -15   17   46 f  839.052  232.882   16.356   6.3347   16.356   6.3347   0.0000   0.0000  839.052  232.882  ?   ?  0.000000 232.8817 
1 1 1  -15   17   48 o  366.227  162.114   0.8335   3.6760   7.2420   5.1929  -5.6035   5.2044  550.095  212.474  321.731  157.113 228.3640 264.2534 
1 1 1  -15   17   50 o  690.426  194.191   11.400   4.3742   15.292   6.1722   7.4727   6.2001  723.443  236.590  516.623  219.562 206.8199 322.7732 
1 1 1  -15   17   52 o  683.130  244.334   16.864   6.6190   16.864   6.6190   0.0000   0.0000  683.130  244.334  ?   ?  0.000000 244.3339 
1 1 1  -15   17   54 o  846.785  199.867   20.118   5.2142   22.980   7.0164   16.587   7.7927  735.921  252.445  540.846  237.873 195.0750 346.8603 
1 1 1  -15   18    1 o  312.266  142.008  -1.8100   3.0386   0.2168   4.3856  -3.6812   4.2139  434.341  184.628  345.599  160.760 88.74225 244.8087 
1 1 1  -15   18    3 f  1058.54  135.455   18.085   4.3867   25.693   6.3546   11.158   6.0632  1256.81  165.500  814.647  228.452 442.1602 282.1008 
1 1 1  -15   18    5 o  920.281  142.215   13.783   3.9660   18.673   5.5808   8.7943   5.6371  1066.14  173.113  731.672  224.556 334.4650 283.5372 
1 1 1  -15   18    7 o  1479.41  173.288   35.577   7.8753   35.577   7.8753   0.0000   0.0000  1479.41  173.288  ?   ?  0.000000 173.2881 
1 1 1  -15   18    9 o  1235.45  119.658   24.407   4.5710   30.043   6.5841   19.163   6.3509  1362.47  157.215  1073.51  196.164 288.9663 251.3900 
1 1 1  -15   18   11 o  511.916  166.202   4.0824   3.0480   3.7978   4.4661   4.3305   4.1701  539.881  199.578  549.659  194.219 -9.778015 278.4821 
1 1 1  -15   18   13 o  768.296  158.801   9.7741   3.6940   7.2923   5.0430   12.648   5.4264  672.503  213.319  866.829  203.418 -194.3253 294.7609 
1 1 1  -15   18   15 o  1217.72  175.024   24.283   6.4819   24.283   6.4819   0.0000   0.0000  1217.72  175.024  ?   ?  0.000000 175.0239 
1 1 1  -15   18   17 o  717.479  159.582   8.5543   3.4925   10.882   4.8174   5.9749   5.0707  804.767  193.543  626.917  214.616 177.8502 288.9961 
1 1 1  -15   18   21 o  1022.23  188.084   17.405   5.7985   17.405   5.7985   0.0000   0.0000  1022.23  188.084  ?   ?  0.000000 188.0837 
1 1 1  -15   18   23 o  1597.63  166.035   41.509   8.1847   41.509   8.1847   0.0000   0.0000  1597.63  166.035  ?   ?  0.000000 166.0345 
1 1 1  -15   18   25 o  2098.39  169.529   71.599   11.044   71.599   11.044   0.0000   0.0000  2098.39  169.529  ?   ?  0.000000 169.5294 
1 1 1  -15   18   27 o  1724.94  168.363   48.620   8.9777   48.620   8.9777   0.0000   0.0000  1724.94  168.363  ?   ?  0.000000 168.3633 
1 1 1  -15   18   29 o  791.321  216.144   10.766   5.5071   10.766   5.5071   0.0000   0.0000  791.321  216.144  ?   ?  0.000000 216.1440 
1 1 1  -15   18   31 o  4191.13  241.538  299.192   31.564  299.192   31.564   0.0000   0.0000  4191.13  241.538  ?   ?  0.000000 241.5375 
1 1 1  -15   18   33 o  1195.14  205.885   24.418   7.4267   0.0000   0.0000   24.418   7.4267  ?   ?   1195.14  205.885 0.000000 205.8855 
1 1 1  -15   18   35 o  2982.84  196.813  149.887   18.279  149.887   18.279   0.0000   0.0000  2982.84  196.813  ?   ?  0.000000 196.8132 
1 1 1  -15   18   37 o  4390.38  173.682  322.981   23.877  322.784   33.700  323.180   33.834  4225.38  255.920  4225.78  256.916 -0.4023438 362.6307 
1 1 1  -15   18   39 o  2397.15  129.059   94.890   9.6516   92.431   13.540   97.429   13.761  2298.15  189.863  2362.72  187.548 -64.56665 266.8750 
1 1 1  -15   18   41 o  1183.44  150.171   24.266   5.4395   21.693   7.2687   27.541   8.2006  1056.40  226.541  1192.83  227.867 -136.4382 321.3162 
1 1 1  -15   18   43 o  280.209  136.078  -5.3268   3.7568  -6.6066   4.7727  -3.2426   6.0908  312.906  152.285  404.337  189.767 -91.43094 243.3146 
1 1 1  -15   18   45 o  1439.75  139.117   36.957   6.1936   30.601   8.4594   44.302   9.0930  1184.89  236.292  1487.03  200.388 -302.1387 309.8211 
1 1 1  -15   18   47 o  1199.75  158.547   27.532   5.8103   27.719   7.7988   27.300   8.7105  1092.98  234.874  1022.28  268.616 70.69971 356.8196 
1 1 1  -15   18   49 o  1236.95  151.288   29.852   5.7376   29.203   7.8214   30.609   8.4424  1077.94  238.079  1069.07  255.650 8.868530 349.3402 
1 1 1  -15   18   51 o  599.580  237.041   12.097   6.5884   12.097   6.5884   0.0000   0.0000  599.580  237.041  ?   ?  0.000000 237.0412 
1 1 1  -15   19    2 o  751.524  167.815   9.3555   3.8492   13.009   5.2586   5.1386   5.6496  883.640  195.256  617.051  225.046 266.5896 297.9443 
1 1 1  -15   19    4 o  430.161  170.854   1.6062   3.4376   3.0447   4.8192   0.1162   4.9048  529.933  204.686  456.809  194.740 73.12378 282.5247 
1 1 1  -15   19    6 o  307.177  140.940  -2.1851   3.0811   0.2235   4.2912  -4.7484   4.4267  430.919  182.882  340.752  160.504 90.16702 243.3258 
1 1 1  -15   19    8 o  712.387  174.626   8.4319   3.8651   3.5596   5.6045   12.851   5.3376  570.457  220.624  877.199  198.907 -306.7417 297.0503 
1 1 1  -15   19   10 o  766.378  213.797   9.7788   5.3247   9.7788   5.3247   0.0000   0.0000  766.378  213.797  ?   ?  0.000000 213.7970 
1 1 1  -15   19   12 o  625.438  214.456   5.8666   5.0633   0.0000   0.0000   5.8666   5.0633  ?   ?   625.438  214.456 0.000000 214.4563 
1 1 1  -15   19   14 o  655.418  215.825   6.7177   5.1330   0.0000   0.0000   6.7177   5.1330  ?   ?   655.418  215.825 0.000000 215.8248 
1 1 1  -15   19   16 o  674.558  172.600   7.5637   3.6607   6.5095   5.0099   8.7713   5.3619  645.731  213.249  729.548  217.974 -83.81641 304.9392 
1 1 1  -15   19   20 o  714.709  179.415   8.5353   4.0091   9.0205   5.4617   7.9683   5.9036  737.537  219.910  706.756  231.398 30.78076 319.2263 
1 1 1  -15   19   22 o  1543.72  113.703   37.959   5.4575   45.359   7.8866   31.159   7.5598  1677.70  151.771  1379.66  179.228 298.0396 234.8552 
1 1 1  -15   19   24 o  292.016  132.948  -1.6181   2.6727   0.0001   4.1555  -2.7597   3.4904  416.684  178.481  319.881  147.931 96.80273 231.8168 
1 1 1  -15   19   26 o  2770.59  186.335  125.212   16.071  125.212   16.071   0.0000   0.0000  2770.59  186.335  ?   ?  0.000000 186.3348 
1 1 1  -15   19   28 o  4006.25  230.511  267.645   28.795  267.645   28.795   0.0000   0.0000  4006.25  230.511  ?   ?  0.000000 230.5112 
1 1 1  -15   19   30 o  2783.27  188.412  127.244   16.324  127.244   16.324   0.0000   0.0000  2783.27  188.412  ?   ?  0.000000 188.4124 
1 1 1  -15   19   32 o  1159.83  193.969   22.692   6.7956   22.692   6.7956   0.0000   0.0000  1159.83  193.969  ?   ?  0.000000 193.9687 
1 1 1  -15   19   34 o  874.768  222.781   13.469   6.1188   13.469   6.1188   0.0000   0.0000  874.768  222.781  ?   ?  0.000000 222.7808 
1 1 1  -15   19   36 o  1319.38  189.237   29.842   7.5941   29.842   7.5941   0.0000   0.0000  1319.38  189.237  ?   ?  0.000000 189.2371 
1 1 1  -15   19   38 o  2465.61  189.554  105.599   14.522  105.599   14.522   0.0000   0.0000  2465.61  189.554  ?   ?  0.000000 189.5540 
1 1 1  -15   19   40 o  1133.83  217.438   24.195   7.4388   24.195   7.4388   0.0000   0.0000  1133.83  217.438  ?   ?  0.000000 217.4375 
1 1 1  -15   19   42 o  624.147  204.568   7.4775   4.6135   7.7728   6.0551   7.0687   7.1232  633.084  232.665  621.122  246.184 11.96204 338.7321 
1 1 1  -15   19   44 o  563.618  206.591   6.1252   4.7695   5.8149   6.1006   6.6131   7.6493  563.794  226.369  593.836  247.585 -30.04236 335.4716 
1 1 1  -15   19   46 o  516.962  202.272   5.1043   4.7531   3.5734   6.0234   7.6307   7.7380  495.334  213.567  588.452  247.426 -93.11884 326.8492 
1 1 1  -15   19   48 o  702.155  216.777   11.670   5.2444   10.499   6.6173   13.647   8.5999  629.167  240.657  664.707  268.103 -35.53967 360.2711 
1 1 1  -15   19   50 o  260.093  130.964 -11.1956   4.8887 -11.1956   4.8887   0.0000   0.0000  260.093  130.964  ?   ?  0.000000 130.9637 
1 1 1  -15   20    1 o  1498.91  125.882   35.755   5.8535   40.235   8.1354   30.946   8.4285  1581.52  166.797  1375.66  201.655 205.8574 261.6983 
1 1 1  -15   20    3 o  970.320  158.250   15.332   4.6424   18.148   6.5459   12.483   6.5849  1045.97  207.189  864.339  236.459 181.6352 314.3886 
1 1 1  -15   20    5 o  566.386  190.755   4.8253   4.0052   7.0154   5.7337   2.7382   5.5973  678.029  228.234  549.677  218.113 128.3522 315.6965 
1 1 1  -15   20    7 f  785.393  178.100   10.225   4.2791   21.579   6.1782  -0.2430   5.9324  1150.34  177.213  493.875  212.445 656.4636 276.6532 
1 1 1  -15   20    9 o  575.736  188.591   5.1179   3.9212   11.268   5.7141  -0.3557   5.3909  821.584  218.372  468.464  202.013 353.1196 297.4818 
1 1 1  -15   20   11 o  512.406  204.688   2.2285   4.9601   2.2285   4.9601   0.0000   0.0000  512.406  204.688  ?   ?  0.000000 204.6878 
1 1 1  -15   20   13 o  754.911  219.635   9.4102   5.5046   9.4102   5.5046   0.0000   0.0000  754.911  219.635  ?   ?  0.000000 219.6347 
1 1 1  -15   20   15 o  1766.41  175.193   50.358   9.5623   50.358   9.5623   0.0000   0.0000  1766.41  175.193  ?   ?  0.000000 175.1935 
1 1 1  -15   20   17 o  514.277  207.529   2.0555   5.1555   0.0000   0.0000   2.0555   5.1555  ?   ?   514.277  207.529 0.000000 207.5294 
1 1 1  -15   20   19 o  982.495  148.502   15.699   4.4260   17.370   6.0215   13.736   6.5278  1022.41  195.208  901.213  230.427 121.2020 301.9979 
1 1 1  -15   20   21 o  1607.85  122.981   41.213   6.1446   39.198   8.4819   43.439   8.9138  1552.76  177.647  1635.77  176.844 -83.01807 250.6640 
1 1 1  -15   20   23 o  1927.61  172.106   60.135   10.279   60.135   10.279   0.0000   0.0000  1927.61  172.106  ?   ?  0.000000 172.1064 
1 1 1  -15   20   25 o  1362.07  122.329   29.684   5.1617   36.595   7.5082   23.491   7.1076  1502.18  162.197  1188.90  197.880 313.2722 255.8604 
1 1 1  -15   20   27 o  2868.45  130.234  131.041   11.697  137.319   16.664  124.943   16.423  2906.71  184.042  2768.44  190.618 138.2705 264.9661 
1 1 1  -15   20   29 o  3429.61  142.634  188.387   15.317  202.719   21.914  174.694   21.419  3514.89  199.934  3253.38  211.400 261.5105 290.9700 
1 1 1  -15   20   31 o  864.214  160.977   12.443   4.1958   9.7380   6.1185   14.844   5.7649  757.981  234.168  932.443  203.190 -174.4614 310.0341 
1 1 1  -15   20   33 o  2354.38  182.427   91.917   13.344   91.917   13.344   0.0000   0.0000  2354.38  182.427  ?   ?  0.000000 182.4270 
1 1 1  -15   20   35 f  1311.34  196.165   29.576   7.8073   29.576   7.8073   0.0000   0.0000  1311.34  196.165  ?   ?  0.000000 196.1647 
1 1 1  -15   20   37 o  2908.01  202.512  147.739   18.325  147.739   18.325   0.0000   0.0000  2908.01  202.512  ?   ?  0.000000 202.5125 
1 1 1  -15   20   39 o  1312.92  200.355   31.142   7.9758   31.142   7.9758   0.0000   0.0000  1312.92  200.355  ?   ?  0.000000 200.3550 
1 1 1  -15   20   41 o  1830.04  188.148   60.734   10.628   60.734   10.628   0.0000   0.0000  1830.04  188.148  ?   ?  0.000000 188.1485 
1 1 1  -15   20   43 o  576.048  231.384   5.7459   6.3768   5.7459   6.3768   0.0000   0.0000  576.048  231.384  ?   ?  0.000000 231.3843 
1 1 1  -15   20   45 o  482.348  211.094   2.2799   6.0701   2.2799   6.0701   0.0000   0.0000  482.348  211.094  ?   ?  0.000000 211.0939 
1 1 1  -15   20   47 o  526.396  223.323   5.1511   6.3952   5.1511   6.3952   0.0000   0.0000  526.396  223.323  ?   ?  0.000000 223.3229 
1 1 1  -15   20   49 o  358.364  172.459  -3.7051   5.7042  -3.7051   5.7042   0.0000   0.0000  358.364  172.459  ?   ?  0.000000 172.4592 
1 1 1  -15   21    2 o  437.041  178.537   1.1520   3.8705   9.8392   5.3149  -8.6567   5.6476  771.087  213.054  353.312  170.410 417.7745 272.8215 
1 1 1  -15   21    4 o  458.519  200.672  -1.0809   5.4859   0.0000   0.0000  -1.0809   5.4859  ?   ?   458.519  200.672 0.000000 200.6719 
1 1 1  -15   21    6 o  469.011  181.142   2.3147   3.7740  -4.2653   5.0705   10.488   5.6511  382.332  177.335  795.297  219.667 -412.9653 282.3142 
1 1 1  -15   21    8 o  1067.93  152.185   18.441   4.9450   27.271   6.9980   9.6348   6.9887  1296.87  176.949  778.692  251.559 518.1818 307.5589 
1 1 1  -15   21   10 o  624.704  232.437   4.9602   6.0773   4.9602   6.0773   0.0000   0.0000  624.704  232.437  ?   ?  0.000000 232.4366 
1 1 1  -15   21   12 o  1197.39  210.809   23.677   7.6152   23.677   7.6152   0.0000   0.0000  1197.39  210.809  ?   ?  0.000000 210.8085 
1 1 1  -15   21   14 o  1105.18  150.365   19.736   5.0684   12.316   7.3012   26.637   7.0416  861.091  253.647  1279.40  180.808 -418.3040 311.4939 
1 1 1  -15   21   18 o  2455.54  180.014   96.999   13.745   96.999   13.745   0.0000   0.0000  2455.54  180.014  ?   ?  0.000000 180.0135 
1 1 1  -15   21   20 o  732.570  239.154   8.5235   6.3077   8.5235   6.3077   0.0000   0.0000  732.570  239.154  ?   ?  0.000000 239.1536 
1 1 1  -15   21   22 o  1528.06  128.913   37.277   6.1105   35.997   8.4654   38.669   8.8293  1486.03  186.004  1540.66  186.842 -54.63281 263.6429 
1 1 1  -15   21   24 o  1111.20  154.098   20.061   5.2175   28.039   7.3233   11.836   7.4352  1308.51  183.805  842.425  257.787 466.0892 316.6043 
1 1 1  -15   21   26 o  2129.70  125.021   72.255   8.3006   76.253   11.847   68.401   11.634  2170.10  175.854  2051.82  182.997 118.2881 253.7965 
1 1 1  -15   21   28 o  1170.62  243.599   23.500   8.6385   23.500   8.6385   0.0000   0.0000  1170.62  243.599  ?   ?  0.000000 243.5991 
1 1 1  -15   21   30 o  1476.57  134.891   35.178   6.1678   43.583   9.5465   29.157   8.0808  1622.01  191.669  1318.61  202.163 303.3995 278.5797 
1 1 1  -15   21   32 f  959.109  161.121   15.347   4.6672   22.272   6.7024   8.8289   6.5030  1146.15  193.656  727.054  243.071 419.0940 310.7833 
1 1 1  -15   21   34 o  2181.82  125.838   77.141   8.5605   83.588   12.237   70.963   11.979  2235.92  176.219  2049.69  188.773 186.2251 258.2415 
1 1 1  -15   21   36 o  996.502  232.576   18.237   7.1248   18.237   7.1248   0.0000   0.0000  996.502  232.576  ?   ?  0.000000 232.5758 
1 1 1  -15   21   38 f  1593.05  129.721   42.052   6.4146   51.472   9.2271   33.242   8.9237  1728.01  172.848  1349.93  218.589 378.0839 278.6706 
1 1 1  -15   21   40 o  800.368  243.142   12.728   6.6310   12.728   6.6310   0.0000   0.0000  800.368  243.142  ?   ?  0.000000 243.1418 
1 1 1  -15   21   42 o  1439.72  205.620   39.069   9.0063   39.069   9.0063   0.0000   0.0000  1439.72  205.620  ?   ?  0.000000 205.6203 
1 1 1  -15   21   44 o  625.606  243.220   7.8654   6.8388   7.8654   6.8388   0.0000   0.0000  625.606  243.220  ?   ?  0.000000 243.2204 
1 1 1  -15   21   46 o  1135.87  250.400   29.082   8.6662   29.082   8.6662   0.0000   0.0000  1135.87  250.400  ?   ?  0.000000 250.3997 
1 1 1  -15   21   48 o  788.495  274.242   17.797   8.2942   17.797   8.2942   0.0000   0.0000  788.495  274.242  ?   ?  0.000000 274.2424 
1 1 1  -15   22    1 o  1103.50  227.491   20.239   7.5993   0.0000   0.0000   20.239   7.5993  ?   ?   1103.50  227.491 0.000000 227.4914 
1 1 1  -15   22    3 o  913.552  233.201   13.931   6.6936   0.0000   0.0000   13.931   6.6936  ?   ?   913.552  233.201 0.000000 233.2013 
1 1 1  -15   22    5 f  529.360  220.389   1.1435   6.0489   0.0000   0.0000   1.1435   6.0489  ?   ?   529.360  220.389 0.000000 220.3888 
1 1 1  -15   22    7 o  383.058  180.488  -6.0589   5.6055   0.0000   0.0000  -6.0589   5.6055  ?   ?   383.058  180.488 0.000000 180.4875 
1 1 1  -15   22    9 f  1078.81  223.309   19.349   7.2949   19.349   7.2949   0.0000   0.0000  1078.81  223.309  ?   ?  0.000000 223.3091 
1 1 1  -15   22   11 o  755.378  253.018   8.7875   7.0462   8.7875   7.0462   0.0000   0.0000  755.378  253.018  ?   ?  0.000000 253.0176 
1 1 1  -15   22   13 o  1397.83  141.120   31.234   6.0922   43.158   8.7272   19.901   8.5084  1638.10  172.749  1087.24  254.432 550.8594 307.5346 
1 1 1  -15   22   15 o  496.651  192.107   2.5948   4.2497   1.8441   5.8428   3.4380   6.1925  536.765  219.326  587.867  230.635 -51.10223 318.2708 
1 1 1  -15   22   17 o  1271.84  151.630   26.023   5.9196   36.355   8.2808   15.226   8.4653  1499.18  180.000  952.192  270.966 546.9861 325.3041 
1 1 1  -15   22   19 o  601.472  236.333   3.6156   6.5117   3.6156   6.5117   0.0000   0.0000  601.472  236.333  ?   ?  0.000000 236.3331 
1 1 1  -15   22   21 o  1285.94  149.841   26.622   5.9204   31.785   8.2046   21.014   8.5515  1395.14  192.979  1114.38  251.091 280.7552 316.6819 
1 1 1  -15   22   23 o  1303.04  147.142   27.338   5.8984   27.905   7.9906   26.659   8.7434  1301.23  202.718  1262.76  229.585 38.46313 306.2739 
1 1 1  -15   22   25 o  1093.09  234.055   20.247   7.7695   20.247   7.7695   0.0000   0.0000  1093.09  234.055  ?   ?  0.000000 234.0555 
1 1 1  -15   22   27 f  583.825  221.533   4.2186   5.5791   1.2707   8.6021   6.3591   7.3300  610.960  259.091  684.432  255.150 -73.47198 363.6341 
1 1 1  -15   22   29 o  1658.33  147.910   44.542   7.5998   47.016   11.294   42.495   10.274  1671.15  221.272  1592.53  211.242 78.62146 305.9160 
1 1 1  -15   22   31 o  334.125  159.594  -5.8930   4.6837  -3.7252   7.2657  -7.4342   6.1265  476.938  217.937  382.792  182.753 94.14615 284.4202 
1 1 1  -15   22   33 o  855.293  269.810   13.259   8.0762   13.259   8.0762   0.0000   0.0000  855.293  269.810  ?   ?  0.000000 269.8100 
1 1 1  -15   22   35 o  316.031  156.824 -13.1150   5.9269 -13.1150   5.9269   0.0000   0.0000  316.031  156.824  ?   ?  0.000000 156.8236 
1 1 1  -15   22   37 o  428.003  184.172   0.4329   4.4614 -12.8146   6.8462   10.211   5.8819  352.846  173.886  745.211  229.492 -392.3652 287.9286 
1 1 1  -15   22   39 o  503.230  196.363   3.4207   4.4701   12.142   6.4352  -4.7110   6.2140  793.680  239.172  406.183  190.967 387.4975 306.0579 
1 1 1  -15   22   41 o  377.864  173.065  -1.9640   4.6175   5.0722   6.6279  -8.5999   6.4366  583.646  235.381  366.636  178.066 217.0095 295.1466 
1 1 1  -15   22   43 o  672.104  255.210   9.1152   7.4077   9.1152   7.4077   0.0000   0.0000  672.104  255.210  ?   ?  0.000000 255.2102 
1 1 1  -15   22   45 o  629.051  219.036   8.1011   5.2917   15.033   7.4983   1.2232   7.4689  805.241  260.614  501.082  225.762 304.1587 344.8015 
1 1 1  -15   23    2 o  694.662  219.630   7.6262   5.3492   1.5647   8.1820   12.151   7.0691  614.553  256.128  859.378  248.573 -244.8253 356.9174 
1 1 1  -15   23    4 o  294.820  144.305  -8.6206   4.4667 -10.4618   6.7872  -7.2139   5.9326  386.841  186.639  384.231  182.413 2.609863 260.9760 
1 1 1  -15   23    6 o  546.901  228.562   1.0578   6.5412   0.0000   0.0000   1.0578   6.5412  ?   ?   546.901  228.562 0.000000 228.5623 
1 1 1  -15   23   10 o  742.734  254.041   8.2584   7.1047   0.0000   0.0000   8.2584   7.1047  ?   ?   742.734  254.041 0.000000 254.0409 
1 1 1  -15   23   12 o  1294.19  235.969   27.708   9.2101   0.0000   0.0000   27.708   9.2101  ?   ?   1294.19  235.969 0.000000 235.9691 
1 1 1  -15   23   14 o  598.393  214.177   4.9320   5.0867   1.3896   7.4212   8.0710   6.9859  584.418  243.779  734.437  251.899 -150.0189 350.5448 
1 1 1  -15   23   16 o  1408.05  146.047   31.721   6.3455   52.509   9.1401   12.380   8.8163  1811.45  162.882  877.897  282.432 933.5558 326.0348 
1 1 1  -15   23   18 o  2454.42  133.412   95.561   10.215   96.452   14.496   94.683   14.396  2449.50  190.501  2426.64  191.000 22.86646 269.7621 
1 1 1  -15   23   20 o  825.644  213.530   11.388   5.5616   14.513   7.6577   7.9003   8.0908  928.665  255.384  747.678  269.828 180.9874 371.5211 
1 1 1  -15   23   22 o  1714.52  141.629   46.990   7.5354   56.576   10.463   36.662   10.861  1870.98  180.859  1482.45  242.350 388.5244 302.3969 
1 1 1  -15   23   24 o  1285.72  226.727   27.695   8.7943   27.695   8.7943   0.0000   0.0000  1285.72  226.727  ?   ?  0.000000 226.7270 
1 1 1  -15   23   26 o  967.217  246.592   16.121   7.4909   16.121   7.4909   0.0000   0.0000  967.217  246.592  ?   ?  0.000000 246.5920 
1 1 1  -15   23   28 o  1206.31  180.603   24.148   6.6120   23.344   9.7296   24.837   9.0130  1148.45  274.326  1196.19  248.741 -47.73352 370.3069 
1 1 1  -15   23   30 o  1665.46  239.217   47.804   12.117   47.804   12.117   0.0000   0.0000  1665.46  239.217  ?   ?  0.000000 239.2173 
1 1 1  -15   23   32 o  1623.26  154.865   43.349   7.7760   48.232   11.015   38.497   10.979  1677.60  214.605  1476.88  246.074 200.7203 326.5081 
1 1 1  -15   23   34 o  653.774  235.649   6.8271   6.1681   10.895   9.2350   3.5511   8.2878  793.492  287.983  621.240  258.250 172.2520 386.8164 
1 1 1  -15   23   36 o  446.695  194.665  -0.0229   5.1136   5.6967   6.5512  -8.9418   8.1807  622.861  239.165  437.960  209.659 184.9016 318.0515 
1 1 1  -15   23   38 o  1177.62  174.149   24.007   6.2279   27.234   8.4304   20.130   9.2405  1215.31  229.958  1001.61  282.433 213.7026 364.2099 
1 1 1  -15   23   40 o  627.283  247.143   6.2166   7.1391   6.2166   7.1391   0.0000   0.0000  627.283  247.143  ?   ?  0.000000 247.1435 
1 1 1  -15   23   42 o  888.464  277.254   17.085   8.5529   17.085   8.5529   0.0000   0.0000  888.464  277.254  ?   ?  0.000000 277.2541 
1 1 1  -15   23   44 o  700.990  265.490   10.553   8.0034   10.553   8.0034   0.0000   0.0000  700.990  265.490  ?   ?  0.000000 265.4904 
1 1 1  -15   24    1 o  1516.70  170.052   36.897   7.9370   44.307   13.021   32.516   10.012  1639.72  262.465  1406.90  235.596 232.8158 352.6941 
1 1 1  -15   24    3 o  1121.71  258.708   21.028   8.9013   0.0000   0.0000   21.028   8.9013  ?   ?   1121.71  258.708 0.000000 258.7078 
1 1 1  -15   24    5 o  1611.32  159.014   41.470   7.9183   42.421   11.739   40.676   10.726  1610.20  240.172  1580.77  222.881 29.43787 327.6559 
1 1 1  -15   24    7 o  802.206  294.392   8.6027   9.6891   8.6027   9.6891   0.0000   0.0000  802.206  294.392  ?   ?  0.000000 294.3915 
1 1 1  -15   24    9 o  1161.14  243.644   22.426   8.5759   0.0000   0.0000   22.426   8.5759  ?   ?   1161.14  243.644 0.000000 243.6437 
1 1 1  -15   24   11 o  1188.33  174.030   22.869   6.2837   32.424   8.6495   12.191   9.1440  1412.64  201.231  879.261  287.990 533.3821 351.3291 
1 1 1  -15   24   13 o  1126.27  249.823   21.217   8.5797   0.0000   0.0000   21.217   8.5797  ?   ?   1126.27  249.823 0.000000 249.8226 
1 1 1  -15   24   15 o  669.068  257.034   5.0686   7.5691   0.0000   0.0000   5.0686   7.5691  ?   ?   669.068  257.034 0.000000 257.0341 
1 1 1  -15   24   17 o  948.890  269.367   15.084   8.3762   0.0000   0.0000   15.084   8.3762  ?   ?   948.890  269.367 0.000000 269.3669 
1 1 1  -15   24   21 o  1325.91  251.532   29.643   10.061   0.0000   0.0000   29.643   10.061  ?   ?   1325.91  251.532 0.000000 251.5320 
1 1 1  -15   24   23 f  525.228  216.230   1.6841   5.7324   0.3067   7.5463   3.5633   8.8143  561.976  240.611  662.797  269.940 -100.8213 361.6096 
1 1 1  -15   24   25 o  2632.57  201.059  113.533   16.448  113.533   16.448   0.0000   0.0000  2632.57  201.059  ?   ?  0.000000 201.0595 
1 1 1  -15   24   27 o  1713.75  147.299   47.490   7.8275   49.591   10.760   45.128   11.408  1727.84  202.731  1634.48  229.206 93.35278 305.9984 
1 1 1  -15   24   29 o  1647.94  209.738   45.701   10.577   45.701   10.577   0.0000   0.0000  1647.94  209.738  ?   ?  0.000000 209.7376 
1 1 1  -15   24   31 o  957.449  226.723   16.093   6.6922   31.047   9.9357   3.6749   9.0539  1327.51  248.150  652.875  270.539 674.6381 367.1095 
1 1 1  -15   24   33 o  699.699  279.773   6.2349   9.2764   6.2349   9.2764   0.0000   0.0000  699.699  279.773  ?   ?  0.000000 279.7733 
1 1 1  -15   24   35 o  772.467  290.712   9.9732   9.5597   9.9732   9.5597   0.0000   0.0000  772.467  290.712  ?   ?  0.000000 290.7117 
1 1 1  -15   24   37 o  815.123  269.047   12.491   7.9750   12.491   7.9750   0.0000   0.0000  815.123  269.047  ?   ?  0.000000 269.0467 
1 1 1  -15   24   39 f  876.414  237.367   14.573   6.6748   17.533   8.8546   10.677   10.158  933.470  280.385  765.645  296.773 167.8250 408.2767 
1 1 1  -15   24   41 o  855.936  237.842   14.311   6.6034   11.373   8.9482   17.825   9.7851  757.432  282.001  907.715  297.944 -150.2836 410.2382 
1 1 1  -15   25    2 o  754.866  299.731   5.3648   10.577   5.3648   10.577   0.0000   0.0000  754.866  299.731  ?   ?  0.000000 299.7311 
1 1 1  -15   25    6 o  1568.20  260.401   40.628   12.338   40.628   12.338   0.0000   0.0000  1568.20  260.401  ?   ?  0.000000 260.4005 
1 1 1  -15   25    8 o  749.375  235.014   8.9564   6.1368   14.559   9.7208   5.2441   7.9129  946.127  295.633  683.685  262.769 262.4427 395.5333 
1 1 1  -15   25   10 o  1158.08  186.269   21.857   6.5256   18.446   9.4653   24.947   9.0087  1047.53  282.222  1224.86  243.463 -177.3312 372.7244 
1 1 1  -15   25   12 o  523.438  214.748   1.5886   5.6298   8.8996   8.3625  -4.4715   7.6136  781.456  275.152  492.757  224.359 288.6986 355.0291 
1 1 1  -15   25   14 o  737.683  266.787   7.5577   7.9155   0.0000   0.0000   7.5577   7.9155  ?   ?   737.683  266.787 0.000000 266.7869 
1 1 1  -15   25   16 o  470.193  205.311  -0.9718   5.7134  -2.1914   8.5809  -0.0005   7.6576  561.087  248.062  564.590  242.072 -3.503052 346.6032 
1 1 1  -15   25   18 o  459.643  204.073  -1.8516   5.8674  -2.6783   8.1756  -0.9736   8.4255  537.967  239.748  573.539  249.911 -35.57190 346.3160 
1 1 1  -15   25   20 o  587.425  258.794  -1.7760   9.2590   0.0000   0.0000  -1.7760   9.2590  ?   ?   587.425  258.794 0.000000 258.7938 
1 1 1  -15   25   22 o  457.378  218.973 -11.5738   8.9277   0.0000   0.0000 -11.5738   8.9277  ?   ?   457.378  218.973 0.000000 218.9726 
1 1 1  -15   25   24 o  607.722  264.592  -0.4798   9.4276   0.0000   0.0000  -0.4798   9.4276  ?   ?   607.722  264.592 0.000000 264.5918 
1 1 1  -15   25   26 o  1070.22  300.626   20.385   10.490   0.0000   0.0000   20.385   10.490  ?   ?   1070.22  300.626 0.000000 300.6259 
1 1 1  -15   25   28 o  672.725  240.183   6.8341   6.3933   7.7678   8.4054   5.5524   9.8478  733.399  273.263  715.419  287.481 17.97949 396.6329 
1 1 1  -15   25   30 o  995.278  222.850   17.199   6.7722   10.665   9.0292   25.602   10.239  806.363  285.695  1192.12  279.206 -385.7524 399.4715 
1 1 1  -15   25   32 o  540.752  234.257   0.2798   7.3163   10.553   10.767  -8.5316   9.9720  816.290  308.235  511.280  240.850 305.0100 391.1744 
1 1 1  -15   25   34 o  1249.86  324.893   30.457   12.833   30.457   12.833   0.0000   0.0000  1249.86  324.893  ?   ?  0.000000 324.8930 
1 1 1  -15   25   36 o  843.554  318.655   12.679   11.511   12.679   11.511   0.0000   0.0000  843.554  318.655  ?   ?  0.000000 318.6547 
1 1 1  -15   25   38 o  829.701  297.217   13.100   9.7978   13.100   9.7978   0.0000   0.0000  829.701  297.217  ?   ?  0.000000 297.2167 
1 1 1  -15   25   40 o  750.302  283.252   10.425   9.0914   10.425   9.0914   0.0000   0.0000  750.302  283.252  ?   ?  0.000000 283.2524 
1 1 1  -15   26    1 o  913.682  246.519   13.929   7.2157   12.683   11.516   14.735   9.2585  920.024  322.969  945.545  287.316 -25.52063 432.2726 
1 1 1  -15   26    3 o  681.313  238.608   6.7060   6.2839   0.6637   10.047   10.588   8.0536  656.342  279.233  821.677  270.329 -165.3346 388.6505 
1 1 1  -15   26    5 o  1319.67  292.145   29.450   11.753   29.450   11.753   0.0000   0.0000  1319.67  292.145  ?   ?  0.000000 292.1447 
1 1 1  -15   26    7 o  881.209  308.817   11.580   10.527   11.580   10.527   0.0000   0.0000  881.209  308.817  ?   ?  0.000000 308.8167 
1 1 1  -15   26   11 o  649.851  265.996   2.8122   8.6126   2.8122   8.6126   0.0000   0.0000  649.851  265.996  ?   ?  0.000000 265.9963 
1 1 1  -15   26   13 o  628.956  260.588   2.1094   8.3983   0.0000   0.0000   2.1094   8.3983  ?   ?   628.956  260.588 0.000000 260.5880 
1 1 1  -15   26   15 o  709.339  237.344   7.7675   6.2002  -5.3040   8.7220   21.121   8.8155  522.055  238.641  1117.42  257.271 -595.3650 350.9103 
1 1 1  -15   26   17 f  1010.95  205.089   17.016   6.2702   29.783   10.730   10.395   7.7268  1325.84  267.675  807.045  264.752 518.7902 376.4887 
1 1 1  -15   26   19 o  1299.57  187.260   27.648   7.4002   26.816   11.236   28.285   9.8347  1246.12  292.897  1293.96  251.790 -47.84521 386.2472 
1 1 1  -15   26   21 o  730.245  251.151   8.1967   6.9468   14.745   9.3616   0.1723   10.363  934.546  289.809  649.382  280.059 285.1643 403.0162 
1 1 1  -15   26   23 o  686.245  286.768   2.7448   10.296   0.0000   0.0000   2.7448   10.296  ?   ?   686.245  286.768 0.000000 286.7684 
1 1 1  -15   26   25 o  1112.30  218.453   20.934   7.3369   9.4319   9.7695   35.814   11.112  801.837  295.405  1447.63  254.420 -645.7906 389.8636 
1 1 1  -15   26   27 o  1095.85  311.565   21.579   11.197   0.0000   0.0000   21.579   11.197  ?   ?   1095.85  311.565 0.000000 311.5648 
1 1 1  -15   26   31 o  732.504  298.083   5.8206   10.737   0.0000   0.0000   5.8206   10.737  ?   ?   732.504  298.083 0.000000 298.0835 
1 1 1  -15   26   35 o  846.284  274.442   12.986   8.3120   16.042   11.620   9.7842   11.895  926.253  324.464  804.417  318.348 121.8354 454.5572 
1 1 1  -15   26   37 o  947.006  329.212   17.746   11.952   17.746   11.952   0.0000   0.0000  947.006  329.212  ?   ?  0.000000 329.2123 
1 1 1  -15   27    2 o  1039.72  236.492   18.082   7.5256   10.528   11.334   24.039   10.064  870.482  318.561  1193.09  275.030 -322.6084 420.8598 
1 1 1  -15   27    4 o  740.537  296.724   4.8904   10.459   4.8904   10.459   0.0000   0.0000  740.537  296.724  ?   ?  0.000000 296.7245 
1 1 1  -15   27    6 o  675.676  281.849   2.0925   9.9202   2.0925   9.9202   0.0000   0.0000  675.676  281.849  ?   ?  0.000000 281.8487 
1 1 1  -15   27    8 o  550.283  227.968   1.4711   6.4264   11.351   10.422  -4.5907   8.1631  873.082  307.192  512.055  232.824 361.0267 385.4527 
1 1 1  -15   27   10 o  688.982  278.349   3.8465   9.2861   3.8465   9.2861   0.0000   0.0000  688.982  278.349  ?   ?  0.000000 278.3487 
1 1 1  -15   27   14 o  714.918  286.975   4.5668   9.8019   4.5668   9.8019   0.0000   0.0000  714.918  286.975  ?   ?  0.000000 286.9749 
1 1 1  -15   27   18 o  913.701  224.471   14.055   6.3759   12.747   10.876   14.740   7.8700  904.086  314.065  933.566  259.737 -29.47961 407.5540 
1 1 1  -15   27   20 o  404.486  186.056  -3.8370   5.4158   4.8204   9.5865  -7.8955   6.5636  709.847  284.205  402.196  191.213 307.6518 342.5417 
1 1 1  -15   27   22 o  623.956  241.494   4.4286   6.7188   6.1437   10.641   3.2915   8.6642  757.607  300.702  653.802  267.108 103.8049 402.2042 
1 1 1  -15   27   24 o  665.321  247.068   5.9708   6.8599   5.5069   9.1179   6.5760   10.413  707.710  279.153  757.941  298.528 -50.23096 408.7116 
1 1 1  -15   27   26 o  864.071  317.067   11.327   11.239   0.0000   0.0000   11.327   11.239  ?   ?   864.071  317.067 0.000000 317.0670 
1 1 1  -15   27   28 o  942.112  257.097   15.463   7.7958   22.828   10.450   6.2209   11.706  1131.77  292.700  770.282  312.056 361.4881 427.8461 
1 1 1  -15   27   30 o  828.328  265.947   11.719   7.8201   17.840   10.144   2.7521   12.278  997.661  300.206  722.376  308.033 275.2848 430.1256 
1 1 1  -15   27   32 o  696.808  257.320   7.2039   7.4204  -3.9576   9.2286   27.619   12.481  542.588  247.033  1214.48  322.703 -671.8936 406.4018 
1 1 1  -15   28    1 f  836.018  270.192   11.124   8.0617   4.4535   12.750   15.567   10.406  789.239  323.416  974.619  306.088 -185.3798 445.2950 
1 1 1  -15   28    3 o  412.172  195.520  -8.0664   6.7891 -16.2502   11.617  -3.8211   8.3667  514.722  247.311  530.875  239.088 -16.15216 343.9850 
1 1 1  -15   28    5 o  381.306  184.257 -10.4931   6.6782   3.1284   10.853 -18.7927   8.4718  719.689  297.049  385.977  190.811 333.7115 353.0540 
1 1 1  -15   28    7 o  651.396  288.347  -2.9431   11.629  -2.9431   11.629   0.0000   0.0000  651.396  288.347  ?   ?  0.000000 288.3469 
1 1 1  -15   28    9 o  563.897  251.787  -3.2434   9.0639   0.0000   0.0000  -3.2434   9.0639  ?   ?   563.897  251.787 0.000000 251.7872 
1 1 1  -15   28   11 o  545.865  243.114  -2.8078   8.3924   0.0000   0.0000  -2.8078   8.3924  ?   ?   545.865  243.114 0.000000 243.1138 
1 1 1  -15   28   13 o  819.180  256.265   10.883   7.3019  -9.6590   11.163   26.244   9.6533  557.821  260.204  1250.33  255.204 -692.5058 364.4655 
1 1 1  -15   28   15 o  896.552  258.203   13.426   7.6423   0.0000   0.0000   13.426   7.6423  ?   ?   896.552  258.203 0.000000 258.2028 
1 1 1  -15   28   21 o  1168.53  316.194   23.802   11.851   23.802   11.851   0.0000   0.0000  1168.53  316.194  ?   ?  0.000000 316.1942 
1 1 1  -15   28   25 f  566.999  226.559   2.9532   6.0786   5.4927   9.4621   1.1687   7.9318  715.898  283.740  589.741  249.370 126.1564 377.7483 
1 1 1  -15   28   27 o  636.798  268.940   1.7526   9.2076   0.0000   0.0000   1.7526   9.2076  ?   ?   636.798  268.940 0.000000 268.9399 
1 1 1  -15   28   29 o  598.335  246.530   2.5900   7.4591 -11.4200   10.706   15.807   10.399  515.578  244.850  953.339  306.733 -437.7605 392.4751 
1 1 1  -15   28   31 o  470.899  219.626  -6.3590   7.9483 -14.9878   11.214   2.3509   11.267  498.815  240.478  692.654  295.215 -193.8390 380.7645 
1 1 1  -15   29    2 o  676.444  273.138   3.6124   8.9366   4.4908   15.938   3.2096   10.793  863.005  358.390  720.347  296.644 142.6588 465.2323 
1 1 1  -15   29    4 o  945.641  352.175   12.062   13.958   12.062   13.958   0.0000   0.0000  945.641  352.175  ?   ?  0.000000 352.1751 
1 1 1  -15   29    6 o  631.339  255.144   3.0513   7.8051  -5.4356   14.009   6.8714   9.3990  691.018  310.464  755.720  287.350 -64.70142 423.0339 
1 1 1  -15   29    8 o  969.362  263.188   15.732   8.1941   20.016   12.694   12.672   10.729  1095.04  337.117  909.201  312.153 185.8372 459.4430 
1 1 1  -15   29   12 o  781.116  262.619   9.3960   7.5913   20.976   11.273  -0.2128   10.269  1111.75  311.412  648.243  279.175 463.5110 418.2296 
1 1 1  -15   29   14 o  724.846  303.585   2.3658   11.575   2.3658   11.575   0.0000   0.0000  724.846  303.585  ?   ?  0.000000 303.5846 
1 1 1  -15   29   16 o  930.205  270.133   14.465   8.3337   0.0000   0.0000   14.465   8.3337  ?   ?   930.205  270.133 0.000000 270.1330 
1 1 1  -15   29   18 o  613.893  236.210   4.2496   6.3988 -20.5562   11.136   16.476   7.8183  465.717  227.933  987.479  252.011 -521.7618 339.7988 
1 1 1  -15   29   20 f  623.857  239.521   4.4786   6.5703  -2.2132   11.539   7.6893   7.9926  653.719  288.405  739.178  267.966 -85.45850 393.6792 
1 1 1  -15   29   22 o  436.209  198.650  -3.4664   5.9723   6.7088   11.041  -7.6746   7.1007  780.402  307.391  427.913  202.080 352.4888 367.8663 
1 1 1  -15   29   26 o  499.188  236.570 -10.7066   9.8931 -10.7066   9.8931   0.0000   0.0000  499.188  236.570  ?   ?  0.000000 236.5702 
1 1 1  -15   30    1 o  808.335  304.300   8.1951   10.476   0.0000   0.0000   8.1951   10.476  ?   ?   808.335  304.300 0.000000 304.3003 
1 1 1  -15   30    3 f  770.932  338.382  -2.4677   15.699  -2.4677   15.699   0.0000   0.0000  770.932  338.382  ?   ?  0.000000 338.3824 
1 1 1  -15   30    5 o  513.110  232.188  -4.1535   8.0003   2.6674   14.859  -6.9382   9.4939  815.265  342.832  532.666  245.505 282.5989 421.6711 
1 1 1  -15   30    7 o  583.642  250.191  -0.0990   8.1769 -13.1187   13.199   8.0093   10.416  591.826  278.271  802.994  303.180 -211.1680 411.5255 
1 1 1  -15   30    9 o  596.216  267.953  -4.4145   10.445   0.0000   0.0000  -4.4145   10.445  ?   ?   596.216  267.953 0.000000 267.9529 
1 1 1  -15   30   11 o  523.235  245.651 -10.1004   10.221   0.0000   0.0000 -10.1004   10.221  ?   ?   523.235  245.651 0.000000 245.6509 
1 1 1  -15   30   13 o  598.680  249.318   1.5610   7.7441  -1.2481   11.542   3.8607   10.444  671.873  292.640  721.716  293.872 -49.84357 414.7275 
1 1 1  -15   30   15 o  793.877  321.735   5.2347   12.449   5.2347   12.449   0.0000   0.0000  793.877  321.735  ?   ?  0.000000 321.7350 
1 1 1  -15   30   17 o  592.247  239.408   2.6874   6.8739   19.623   12.004  -5.5759   8.3848  1078.85  327.002  506.865  232.539 571.9907 401.2539 
1 1 1  -15   30   19 o  661.285  265.585   3.7722   8.4000   0.0000   0.0000   3.7722   8.4000  ?   ?   661.285  265.585 0.000000 265.5851 
1 1 1  -15   30   21 o  1003.11  238.604   16.978   7.3854   41.008   12.397   3.7580   9.1951  1564.24  262.401  681.784  276.441 882.4596 381.1482 
1 1 1  -15   31    4 o  405.695  201.759 -24.6197   10.025   0.0000   0.0000 -24.6197   10.025  ?   ?   405.695  201.759 0.000000 201.7586 
1 1 1  -15   31    6 o  417.049  201.492 -12.5004   7.9771  -5.8497   13.880 -15.7804   9.7476  685.023  308.283  455.922  220.887 229.1008 379.2486 
1 1 1  -15   31    8 o  780.724  310.098   5.7664   11.324   0.0000   0.0000   5.7664   11.324  ?   ?   780.724  310.098 0.000000 310.0982 
1 1 1  -15   31   10 o  843.518  281.807   11.008   8.7407   17.841   13.801   6.4325   11.294  1058.96  354.109  791.758  311.204 267.1989 471.4240 
1 1 1  -15   31   12 o  490.515  235.673 -14.9181   10.547   0.0000   0.0000 -14.9181   10.547  ?   ?   490.515  235.673 0.000000 235.6729 
1 1 1  -14    0    2 f  3075.17  186.246  151.266   17.783  151.266   17.783  151.266   17.783  3075.17  186.246  3075.17  186.246 -0.000000 0.000000 
1 1 1  -14    0    4 o  2683.15  173.513  115.159   14.438  115.159   14.438  115.159   14.438  2683.15  173.513  2683.15  173.513 -0.000000 0.000000 
1 1 1  -14    0    6 o  1797.20  150.543   51.970   8.3350   51.970   8.3350   51.970   8.3350  1797.20  150.543  1797.20  150.543 -0.000000 0.000000 
1 1 1  -14    0    8 o  265.913  149.502   1.4874   1.8872   1.4874   1.8872   1.4874   1.8872  265.913  149.502  265.913  149.502 -0.000000 0.000000 
1 1 1  -14    0   10 o  195.275  125.809   0.0000   1.7763   0.0000   1.7763   0.0000   1.7763  195.275  125.809  195.275  125.809 -0.000000 0.000000 
1 1 1  -14    0   12 o  3244.39  133.798  166.582   13.540  166.582   13.540  166.582   13.540  3244.39  133.798  3244.39  133.798 -0.000000 0.000000 
1 1 1  -14    0   14 o  115.786   78.852  -0.5130   0.8774  -0.5130   0.8774  -0.5130   0.8774  115.786   78.852  115.786   78.852 -0.000000 0.000000 
1 1 1  -14    0   16 o  4122.42  156.747  269.474   20.167  269.474   20.167  269.474   20.167  4122.42  156.747  4122.42  156.747 -0.000000 0.000000 
1 1 1  -14    0   18 o  483.682  134.292   4.4312   1.7593   4.4312   1.7593   4.4312   1.7593  483.682  134.292  483.682  134.292 -0.000000 0.000000 
1 1 1  -14    0   20 o  1109.24   98.607   19.792   3.3627   19.792   3.3627   19.792   3.3627  1109.24   98.607  1109.24   98.607 -0.000000 0.000000 
1 1 1  -14    0   22 o  5908.17  208.249  560.403   38.417  560.403   38.417  560.403   38.417  5908.17  208.249  5908.17  208.249 -0.000000 0.000000 
1 1 1  -14    0   24 o  277.398  141.581   1.7869   1.5504   1.7869   1.5504   1.7869   1.5504  277.398  141.581  277.398  141.581 -0.000000 0.000000 
1 1 1  -14    0   26 o  359.435  149.914   2.8814   1.6868   2.8814   1.6868   2.8814   1.6868  359.435  149.914  359.435  149.914 -0.000000 0.000000 
1 1 1  -14    0   28 o  602.874  130.044   6.4826   2.1537   6.4826   2.1537   6.4826   2.1537  602.874  130.044  602.874  130.044 -0.000000 0.000000 
1 1 1  -14    0   30 o  2082.82  111.221   69.193   7.2064   69.193   7.2064   69.193   7.2064  2082.82  111.221  2082.82  111.221 -0.000000 0.000000 
1 1 1  -14    0   32 o  166.884  111.960  -0.6212   1.6436  -0.6212   1.6436  -0.6212   1.6436  166.884  111.960  166.884  111.960 -0.000000 0.000000 
1 1 1  -14    0   34 o  4253.17  163.115  292.020   21.651  292.020   21.651  292.020   21.651  4253.17  163.115  4253.17  163.115 -0.000000 0.000000 
1 1 1  -14    0   36 o  1248.07  104.635   25.184   4.0230   25.184   4.0230   25.184   4.0230  1248.07  104.635  1248.07  104.635 -0.000000 0.000000 
1 1 1  -14    0   38 o  3068.26  132.483  150.948   12.674  150.948   12.674  150.948   12.674  3068.26  132.483  3068.26  132.483 -0.000000 0.000000 
1 1 1  -14    0   40 o  5140.35  188.959  429.051   30.321  429.051   30.321  429.051   30.321  5140.35  188.959  5140.35  188.959 -0.000000 0.000000 
1 1 1  -14    0   42 o  1865.28  109.565   55.594   6.3488   55.594   6.3488   55.594   6.3488  1865.28  109.565  1865.28  109.565 -0.000000 0.000000 
1 1 1  -14    0   44 o  896.363  199.576   14.633   4.8944   14.633   4.8944   14.633   4.8944  896.363  199.576  896.363  199.576 -0.000000 0.000000 
1 1 1  -14    0   46 o  374.065  206.547   3.1866   3.5262   3.1866   3.5262   3.1866   3.5262  374.065  206.547  374.065  206.547 -0.000000 0.000000 
1 1 1  -14    0   48 o  2212.44  168.918   79.893   11.545   79.893   11.545   79.893   11.545  2212.44  168.918  2212.44  168.918 -0.000000 0.000000 
1 1 1  -14    0   50 o  411.669  190.201   3.9785   2.7019   3.9785   2.7019   3.9785   2.7019  411.669  190.201  411.669  190.201 -0.000000 0.000000 
1 1 1  -14    0   52 o  831.357  147.600   12.009   3.4811   12.009   3.4811   12.009   3.4811  831.357  147.600  831.357  147.600 -0.000000 0.000000 
1 1 1  -14    0   54 o  1995.79  117.603   64.265   7.2909   64.265   7.2909   64.265   7.2909  1995.79  117.603  1995.79  117.603 -0.000000 0.000000 
1 1 1  -14    0   56 o  2977.88  196.175  150.125   18.110  150.125   18.110  150.125   18.110  2977.88  196.175  2977.88  196.175 -0.000000 0.000000 
1 1 1  -14    0   58 o  2168.39  177.322   79.718   11.855   79.718   11.855   79.718   11.855  2168.39  177.322  2168.39  177.322 -0.000000 0.000000 
1 1 1  -14    1    1 o  1565.51  101.006   38.775   4.9249   38.548   6.9569   39.003   6.9728  1552.42  144.787  1561.76  144.214 -9.337158 204.3554 
1 1 1  -14    1    3 o  2157.14  109.678   73.586   7.3838   69.990   10.418   77.215   10.466  2091.74  160.285  2199.68  152.906 -107.9358 221.5212 
1 1 1  -14    1    5 o  2809.91  123.299  124.795   10.849  130.841   15.346  118.755   15.339  2859.49  172.192  2720.61  181.087 138.8777 249.8855 
1 1 1  -14    1    7 o  1310.22   97.855   27.189   3.9856   26.523   5.6464   27.850   5.6268  1285.66  142.663  1318.74  138.325 -33.08289 198.7121 
1 1 1  -14    1    9 o  1635.60  102.272   42.333   5.2115   41.495   7.3871   43.163   7.3534  1609.89  148.206  1643.10  144.391 -33.20264 206.9147 
1 1 1  -14    1   11 o  1494.83   81.111   35.243   3.7823   34.804   4.6329   36.122   6.5500  1482.55  100.390  1502.47  140.870 -19.92139 172.9810 
1 1 1  -14    1   13 o  1306.88   69.055   26.906   2.8158   27.387   3.9802   26.423   3.9841  1314.59   97.387  1290.81   99.334 23.77734 139.1100 
1 1 1  -14    1   15 o  646.089   72.019   6.6420   1.4322   8.1305   2.0317   5.1718   2.0192  712.286   93.340  561.349  118.592 150.9366 150.9188 
1 1 1  -14    1   17 o  2081.55   76.486   68.176   4.9853   65.474   7.0328   70.905   7.0677  2031.35  110.988  2115.10  107.065 -83.75671 154.2116 
1 1 1  -14    1   19 o  1337.25   69.337   28.205   2.8934   28.929   4.0899   27.480   4.0937  1349.56   97.440  1314.59  100.206 34.96863 139.7704 
1 1 1  -14    1   21 o  1658.99   72.143   43.363   3.7476   40.886   5.2779   45.881   5.3223  1601.78  105.826  1698.61  100.514 -96.83154 145.9529 
1 1 1  -14    1   23 o  1069.91   69.722   18.134   2.3230   17.747   3.2979   18.515   3.2728  1051.56  101.416  1075.04   98.312 -23.48315 141.2466 
1 1 1  -14    1   25 o  857.880   83.623   11.791   2.2178   13.030   3.8544   11.177   2.7116  883.897  144.240  829.047  106.947 54.85016 179.5628 
1 1 1  -14    1   27 o  1116.52   70.680   19.837   2.4583   20.051   3.4856   19.624   3.4676  1113.34  101.086  1101.11  101.722 12.23279 143.4077 
1 1 1  -14    1   29 o  1081.77   71.155   18.663   2.3968   18.489   3.4067   18.834   3.3726  1066.01  103.360  1076.81  101.213 -10.80347 144.6625 
1 1 1  -14    1   31 o  1819.72   87.135   53.140   4.9649   48.128   8.5465   55.692   6.0998  1673.75  165.228  1849.61  105.761 -175.8557 196.1775 
1 1 1  -14    1   33 o  1227.04   83.170   24.318   3.1767   23.769   3.9079   25.388   5.4542  1202.31  104.852  1216.66  146.090 -14.34277 179.8224 
1 1 1  -14    1   35 o  1458.10   73.416   34.249   3.3412   35.779   4.6995   32.685   4.7513  1470.96  102.675  1400.82  109.184 70.13745 149.8778 
1 1 1  -14    1   37 o  1781.41   89.769   52.037   4.9912   50.173   8.6470   52.968   6.1123  1658.07  168.909  1776.99  110.397 -118.9119 201.7861 
1 1 1  -14    1   39 o  2607.63   87.397  111.050   7.1361  106.179   10.074  115.956   10.110  2486.06  129.860  2611.06  123.658 -125.0005 179.3179 
1 1 1  -14    1   41 o  1407.90   86.468   32.447   3.7935   34.118   4.6694   29.203   6.5059  1429.23  105.075  1262.27  168.833 166.9652 198.8596 
1 1 1  -14    1   43 o  2291.17   97.633   87.033   7.0044   89.806   8.5895   81.529   12.101  2292.64  120.068  2060.94  189.650 231.6975 224.4621 
1 1 1  -14    1   45 o  1661.32   91.132   45.920   4.7226   50.048   5.8098   37.880   8.1082  1713.35  108.858  1377.21  193.349 336.1384 221.8868 
1 1 1  -14    1   47 o  2414.74  101.846   99.221   7.7007  104.966   13.397   96.385   9.4107  2266.07  190.576  2320.12  130.062 -54.05737 230.7279 
1 1 1  -14    1   49 o  2681.92  108.614  125.408   9.1211  119.652   15.770  128.301   11.181  2268.96  224.935  2635.92  135.929 -366.9590 262.8161 
1 1 1  -14    1   51 o  3204.13  124.753  191.801   12.516  169.647   21.640  202.938   15.343  2190.66  325.362  3159.16  155.106 -968.4976 360.4413 
1 1 1  -14    1   53 o  2119.02  105.044   84.682   6.9698   83.627   8.5662   86.747   11.989  1983.60  138.791  1663.47  236.857 320.1284 274.5257 
1 1 1  -14    1   55 o  652.712  134.382   10.022   2.6550   8.8824   3.2965   12.126   4.4792  524.580  172.970  532.734  199.286 -8.153687 263.8813 
1 1 1  -14    1   57 o  868.073  395.113  322.004   23.588  342.407   33.422  301.757   33.295  ?   ?   ?   ?  0.000000      ? 
1 1 1  -14    1   59 o  448.616  219.234   64.060   10.188   0.0000   0.0000   64.060   10.188  ?   ?   448.616  219.234 0.000000 219.2344 
1 1 1  -14    1   61 o  302.234  150.782   19.760   5.7867   0.0000   0.0000   19.760   5.7867  ?   ?   302.234  150.782 0.000000 150.7823 
1 1 1  -14    1   63 o  ?   ?    0.1941   3.8736   0.1941   3.8736   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -14    2    2 o  1201.07   97.205   22.865   3.6244   22.276   5.1243   23.455   5.1271  1177.24  141.869  1209.24  137.872 -31.99768 197.8269 
1 1 1  -14    2    4 o  4060.22  154.408  261.957   19.631  256.113   27.747  267.815   27.777  3976.93  223.725  4069.96  218.767 -93.02881 312.9083 
1 1 1  -14    2    6 o  2067.31  108.388   67.590   6.9918   68.877   9.8868   66.301   9.8890  2076.70  153.123  2036.46  156.272 40.23279 218.7868 
1 1 1  -14    2    8 o  1885.12  105.815   56.213   6.2208   53.920   8.7848   58.520   8.8102  1835.53  154.277  1914.30  148.134 -78.77356 213.8811 
1 1 1  -14    2   10 o  1122.79   79.253   19.918   2.7684   18.468   3.3789   22.878   4.8288  1077.74  101.313  1195.05  131.203 -117.3092 165.7667 
1 1 1  -14    2   12 o  1606.40   70.855   40.543   3.5640   41.987   5.0387   39.097   5.0419  1629.07   99.251  1571.14  103.057 57.93701 143.0784 
1 1 1  -14    2   14 o  1025.72   67.999   16.601   2.1716   16.812   3.0725   16.390   3.0698  1028.26   96.557  1014.94   97.804 13.31866 137.4367 
1 1 1  -14    2   16 o  2633.71   83.915  109.223   6.9203  109.750   9.7915  108.697   9.7820  2632.50  118.785  2619.73  119.249 12.77466 168.3162 
1 1 1  -14    2   18 o  2083.65   76.302   68.341   4.9782   73.562   7.0551   63.163   7.0256  2156.70  104.471  1993.68  113.006 163.0204 153.8974 
1 1 1  -14    2   20 o  2089.98   77.078   68.838   5.0441   67.284   7.1335   70.391   7.1335  2056.11  111.213  2103.95  108.651 -47.83472 155.4781 
1 1 1  -14    2   22 o  1735.86   73.190   47.533   3.9782   48.460   5.6047   46.591   5.6475  1743.35  103.130  1708.40  106.097 34.94897 147.9604 
1 1 1  -14    2   24 o  419.874  105.437   2.9244   1.3843   1.5050   1.6606   6.1565   2.5059  335.429  122.060  605.731  135.510 -270.3024 182.3777 
1 1 1  -14    2   26 o  1794.48   86.231   51.275   4.8453   52.524   8.3547   50.641   5.9477  1780.12  151.321  1772.09  107.698 8.029541 185.7334 
1 1 1  -14    2   28 o  1309.73   71.726   27.306   2.9304   27.730   4.1216   26.873   4.1670  1309.30  101.323  1287.59  104.250 21.71155 145.3768 
1 1 1  -14    2   30 o  1769.99   87.045   50.181   4.8243   45.076   8.3528   52.737   5.9096  1623.11  166.717  1802.44  105.165 -179.3287 197.1148 
1 1 1  -14    2   32 o  512.428   90.421   4.3457   1.3978   5.0117   2.0096   3.7214   1.9456  541.847  121.448  466.213  128.939 75.63434 177.1295 
1 1 1  -14    2   34 o  2206.89   81.224   78.485   5.6129   78.671   7.9297   78.299   7.9459  2174.04  116.914  2168.26  117.474 5.779053 165.7379 
1 1 1  -14    2   36 o  834.567   78.607   11.350   2.0300   11.574   2.7782   11.095   2.9734  827.908  109.884  803.817  121.963 24.09137 164.1630 
1 1 1  -14    2   38 o  1410.06   75.399   32.202   3.3170   27.420   4.6364   37.217   4.7474  1270.68  117.869  1495.97  101.956 -225.2965 155.8469 
1 1 1  -14    2   40 o  3078.64  110.691  158.333   10.671  156.293   13.082  162.387   18.444  3004.71  139.046  2903.96  204.138 100.7510 246.9939 
1 1 1  -14    2   42 f  1113.86   91.643   20.483   3.1679   18.188   3.9536   24.601   5.2950  1026.48  125.627  1176.54  146.930 -150.0570 193.3152 
1 1 1  -14    2   44 o  781.869  103.133   10.382   2.4633   11.702   3.0583   7.9437   4.1562  817.911  123.242  625.886  192.937 192.0253 228.9395 
1 1 1  -14    2   46 o  4276.88  123.831  320.397   16.583  324.817   23.466  315.988   23.439  4049.20  185.077  3980.23  188.066 68.97217 263.8604 
1 1 1  -14    2   48 o  530.452  119.384   5.1113   1.9351   3.3153   2.6986   7.0119   2.7762  426.305  155.529  603.046  148.100 -176.7407 214.7627 
1 1 1  -14    2   50 o  3080.45  156.988  187.977   15.092  198.809   21.398  177.254   21.290  2761.34  250.192  2507.04  275.762 254.3059 372.3452 
1 1 1  -14    2   52 o  2965.51  172.170  199.050   15.918  195.725   22.574  202.338   22.451  2135.22  349.753  2253.88  327.710 -118.6611 479.2927 
1 1 1  -14    2   54 f  855.507  227.787   25.971   6.2105   0.0000   0.0000   25.971   6.2105  ?   ?   855.507  227.787 0.000000 227.7872 
1 1 1  -14    2   56 o  1047.47  150.275   29.485   4.7876   29.786   6.9704   29.216   6.5873  647.498  247.155  694.245  244.233 -46.74695 347.4698 
1 1 1  -14    2   58 o  337.769  147.954   5.4829   2.9879   5.8283   4.5436   5.2198   3.9662  300.642  146.811  302.841  145.241 -2.199646 206.5150 
1 1 1  -14    2   60 o  1143.61  131.753   40.408   4.6317   46.918   5.7290   28.124   7.8698  1021.20  186.018  312.250  158.194 708.9515 244.1889 
1 1 1  -14    2   62 o  ?   ?    60.410   10.116   60.410   10.116   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -14    3    1 o  2775.01  122.585  121.701   10.652  124.547   15.057  118.851   15.071  2789.23  173.254  2722.89  177.736 66.34473 248.2078 
1 1 1  -14    3    3 o  1036.19   95.818   17.048   3.0737   13.550   4.3067   20.679   4.3880  911.069  156.611  1137.01  125.332 -225.9415 200.5873 
1 1 1  -14    3    5 o  327.630  105.249   1.6479   1.2247   1.4547   1.7169   1.8480   1.7474  338.500  123.969  361.556  125.868 -23.05579 176.6663 
1 1 1  -14    3    7 o  755.352   80.023   9.0686   1.8639   8.9407   3.3059   9.1283   2.2567  737.795  148.244  755.103   97.740 -17.30823 177.5650 
1 1 1  -14    3    9 o  2999.08   89.448  141.558   8.3999  150.656   11.893  132.502   11.866  3086.78  123.046  2892.95  130.989 193.8362 179.7177 
1 1 1  -14    3   11 o  2755.54   86.241  119.481   7.4411  116.367   10.523  122.595   10.524  2712.12  123.912  2784.49  120.698 -72.36792 172.9807 
1 1 1  -14    3   13 o  2897.11   87.136  132.128   7.9046  132.791   11.181  131.464   11.177  2896.46  123.282  2881.81  123.858 14.65454 174.7547 
1 1 1  -14    3   15 o  2637.65   84.593  109.537   6.9867  112.749   9.8911  106.338   9.8702  2668.91  118.357  2591.11  121.653 77.79248 169.7289 
1 1 1  -14    3   17 o  3005.61   90.600  142.459   8.5267  140.380   12.060  144.537   12.057  2972.44  129.577  3016.79  127.636 -44.34741 181.8820 
1 1 1  -14    3   19 o  719.013   73.363   8.2221   1.6286   9.1356   2.3218   7.3373   2.2849  753.440  100.954  671.432  112.671 82.00824 151.2828 
1 1 1  -14    3   21 o  4018.03  108.702  256.634   13.676  253.481   19.341  259.786   19.342  3961.83  155.904  4012.32  153.953 -50.49414 219.1057 
1 1 1  -14    3   23 o  3983.03  126.005  254.945   15.715  251.085   19.234  262.697   27.257  3925.45  156.480  3932.93  222.245 -7.479248 271.8063 
1 1 1  -14    3   25 o  967.809   70.722   14.895   2.1284   16.231   3.0003   13.541   3.0197  1004.06   96.623  913.112  107.686 90.94678 144.6798 
1 1 1  -14    3   27 o  2624.73   98.929  110.510   8.1306  117.963   14.063  106.768   9.9650  2645.52  170.673  2562.25  124.204 83.27344 211.0831 
1 1 1  -14    3   29 o  1146.91   82.954   21.099   2.9590   18.257   5.0395   22.594   3.6555  1033.02  161.048  1180.88   99.794 -147.8621 189.4610 
1 1 1  -14    3   31 o  2233.44   80.725   79.772   5.6454   75.718   7.9719   83.850   7.9959  2146.81  119.057  2267.41  112.621 -120.5964 163.8842 
1 1 1  -14    3   33 o  558.110   93.192   5.1661   1.5712   4.5680   2.0711   5.9769   2.4116  513.773  128.941  586.732  134.180 -72.95898 186.0912 
1 1 1  -14    3   35 o  1857.59   77.043   55.599   4.4813   52.443   6.2888   58.853   6.3873  1771.62  113.971  1882.27  108.838 -110.6526 157.5909 
1 1 1  -14    3   37 o  1825.29   88.993   54.398   5.0863   54.752   6.2327   53.691   8.8005  1808.43  110.599  1724.66  164.974 83.76672 198.6169 
1 1 1  -14    3   39 o  656.570  108.956   7.3300   2.1615   7.3526   2.6753   7.2874   3.6681  643.901  136.906  619.743  178.997 24.15802 225.3514 
1 1 1  -14    3   41 o  2022.17   93.295   67.062   5.9074   64.242   7.2540   72.613   10.179  1948.37  119.480  2008.64  163.247 -60.26929 202.2990 
1 1 1  -14    3   43 o  2634.33   89.452  113.936   7.3787  112.645   10.449  115.220   10.421  2549.59  131.333  2585.71  128.708 -36.11401 183.8865 
1 1 1  -14    3   45 o  3420.92  120.560  202.184   12.914  212.213   15.847  182.354   22.283  3425.00  147.761  2824.16  254.724 600.8403 294.4786 
1 1 1  -14    3   47 o  985.278   96.176   16.467   2.9293   19.127   3.6567   11.702   4.8941  1047.40  113.301  730.131  205.425 317.2661 234.5991 
1 1 1  -14    3   49 o  2874.74  112.937  145.087   10.166  140.932   12.473  153.309   17.546  2733.23  146.272  2599.47  217.560 133.7515 262.1598 
1 1 1  -14    3   51 o  1706.61  198.249   67.792   10.397   0.0000   0.0000   67.792   10.397  ?   ?   1706.61  198.249 0.000000 198.2487 
1 1 1  -14    3   53 o  431.788  175.788   5.2696   3.7361   0.0000   0.0000   5.2696   3.7361  ?   ?   431.788  175.788 0.000000 175.7881 
1 1 1  -14    3   55 f  821.226  374.338  186.317   21.271   0.0000   0.0000  186.317   21.271  ?   ?   821.226  374.338 0.000000 374.3379 
1 1 1  -14    3   57 o  1753.67  225.692  137.430   12.106  128.272   17.224  146.369   17.018  501.813  251.775  603.677  292.318 -101.8647 385.7978 
1 1 1  -14    3   59 o  1370.26  122.877   51.361   5.2162   53.103   6.4328   48.017   8.9130  1116.18  190.919  432.710  210.014 683.4655 283.8234 
1 1 1  -14    3   61 o  612.468  273.979  116.182   10.785  116.182   10.785   0.0000   0.0000  612.468  273.979  ?   ?  0.000000 273.9794 
1 1 1  -14    3   63 o  565.341  189.824   26.368   3.9661   22.951   5.0227   32.026   6.4639  294.102  145.665  273.133  138.873 20.96951 201.2559 
1 1 1  -14    4    2 o  1417.83   79.309   31.694   3.5069   26.618   6.0695   34.238   4.2967  1285.69  153.818  1471.84   93.718 -186.1498 180.1198 
1 1 1  -14    4    4 f  1925.08   86.036   58.288   5.1861   58.601   8.9964   58.133   6.3468  1915.36  151.235  1917.34  106.129 -1.983398 184.7575 
1 1 1  -14    4    6 o  769.903   68.720   9.3813   1.6393   6.9624   2.2862   11.941   2.3517  654.624  115.771  866.821   87.856 -212.1965 145.3330 
1 1 1  -14    4    8 o  1244.48   69.214   24.397   2.6864   24.163   3.7938   24.632   3.8047  1234.54   98.972  1246.63   98.264 -12.09204 139.4682 
1 1 1  -14    4   10 o  2802.22   85.574  123.541   7.5086  122.253   10.616  124.831   10.622  2780.60  121.924  2810.04  120.720 -29.43945 171.5771 
1 1 1  -14    4   12 o  1675.30   71.637   44.101   3.7579   47.505   5.3292   40.734   5.2999  1733.22   98.604  1603.20  106.176 130.0236 144.9004 
1 1 1  -14    4   14 o  549.631   77.840   4.8447   1.3022   5.4520   1.8671   4.2694   1.8171  578.608  106.995  509.589  116.426 69.01965 158.1229 
1 1 1  -14    4   16 o  1761.10   73.429   48.780   4.0492   48.616   5.7241   48.945   5.7288  1750.94  104.887  1756.92  104.608 -5.987183 148.1356 
1 1 1  -14    4   18 o  2533.62   83.432  101.188   6.6190  101.146   9.3617  101.231   9.3596  2524.40  118.435  2525.49  118.357 -1.084717 167.4370 
1 1 1  -14    4   20 o  763.173   73.043   9.2601   1.7242   10.178   2.4758   8.3958   2.4025  795.062  101.784  719.090  110.216 75.97211 150.0254 
1 1 1  -14    4   22 o  1410.40   82.664   31.575   3.6347   32.641   4.4449   29.424   6.3146  1429.64   99.922  1339.15  153.358 90.49268 183.0380 
1 1 1  -14    4   24 o  2260.03   80.098   80.959   5.6683   77.096   8.0129   84.829   8.0194  2187.22  117.428  2300.31  111.337 -113.0854 161.8185 
1 1 1  -14    4   26 o  2175.88   78.890   75.201   5.3750   76.262   7.6034   74.142   7.5993  2172.71  112.143  2141.27  113.748 31.44116 159.7333 
1 1 1  -14    4   28 o  1722.29   85.989   47.350   4.6373   46.283   7.9573   47.899   5.7065  1661.71  154.707  1720.50  106.449 -58.79236 187.7912 
1 1 1  -14    4   30 o  2518.65   84.733  101.480   6.6825   97.976   9.4216  105.029   9.4795  2442.93  123.569  2535.81  119.386 -92.88013 171.8204 
1 1 1  -14    4   32 o  955.423   75.674   14.673   2.2454   14.419   3.1184   14.945   3.2358  934.492  108.594  950.608  110.786 -16.11615 155.1328 
1 1 1  -14    4   34 o  936.970   85.775   14.304   2.4886   13.538   3.0450   15.844   4.3187  900.061  110.354  951.060  149.992 -50.99957 186.2139 
1 1 1  -14    4   36 o  3039.25  109.973  153.578   10.466  151.505   12.835  157.693   18.079  2969.20  138.050  2885.05  201.392 84.14795 244.1652 
1 1 1  -14    4   38 o  1815.15   89.167   53.725   5.0680   52.162   6.2060   56.855   8.7806  1764.61  112.910  1787.63  158.510 -23.02429 194.6123 
1 1 1  -14    4   40 o  3161.43   97.498  164.157   9.6515  165.352   13.659  162.965   13.639  3095.01  140.945  3070.75  141.851 24.26147 199.9683 
1 1 1  -14    4   42 f  328.853  123.587   1.4976   1.7265   3.4169   2.2823  -1.0701   2.6398  442.474  143.827  290.677  132.256 151.7972 195.3918 
1 1 1  -14    4   44 o  3552.76  124.512  217.531   13.851  221.010   17.001  210.663   23.889  3492.85  155.447  3100.01  248.182 392.8398 292.8446 
1 1 1  -14    4   46 o  3144.40  117.740  170.942   11.593  162.410   14.222  187.833   20.010  2966.09  153.661  2979.61  215.941 -13.52148 265.0318 
1 1 1  -14    4   48 f  3784.57  179.905  286.582   21.320  296.667   30.192  276.553   30.109  3297.85  295.514  3102.21  314.296 195.6431 431.4055 
1 1 1  -14    4   50 o  2779.67  145.305  148.495   12.603  148.775   17.833  148.216   17.814  2443.20  236.041  2437.31  236.394 5.889160 334.0621 
1 1 1  -14    4   52 o  379.147  145.403   2.9372   2.4196   5.8522   3.6695   0.6949   3.2183  475.990  179.891  325.237  147.211 150.7529 232.4477 
1 1 1  -14    4   54 o  1621.24  133.126   58.131   6.6985   61.769   9.6303   54.722   9.3233  1297.76  245.993  1172.19  260.746 125.5690 358.4706 
1 1 1  -14    4   56 o  816.237  165.036   19.434   4.0730   9.6630   5.8734   28.485   5.6532  371.787  177.894  854.045  212.309 -482.2580 276.9862 
1 1 1  -14    4   58 o  727.451  191.328   22.089   4.4164   12.357   6.5248   30.318   5.9997  322.768  160.879  644.736  232.406 -321.9683 282.6567 
1 1 1  -14    4   60 o  310.186  154.158   16.009   5.8130   16.009   5.8130   0.0000   0.0000  310.186  154.158  ?   ?  0.000000 154.1583 
1 1 1  -14    4   62 o  1075.45  156.592   49.576   5.1184   56.158   6.3505   37.373   8.6470  740.939  239.843  ?   ?  0.000000 239.8429 
1 1 1  -14    5    1 o  2758.83   98.940  119.901   8.5470  110.739   14.781  124.503   10.476  2626.62  180.823  2807.38  119.172 -180.7554 216.5615 
1 1 1  -14    5    3 o  567.068   89.921   5.1829   1.5434   4.3239   2.7070   5.5966   1.8786  518.525  154.867  586.968  106.120 -68.44293 187.7370 
1 1 1  -14    5    5 o  2003.53   74.453   63.065   4.6708   68.344   6.6198   57.831   6.5914  2082.60  101.513  1911.47  110.600 171.1294 150.1243 
1 1 1  -14    5    7 o  2182.65   75.899   74.860   5.1872   77.680   7.3483   72.060   7.3234  2219.54  105.733  2134.37  109.953 85.17261 152.5417 
1 1 1  -14    5    9 o  1375.89   69.666   29.809   2.9916   31.014   4.2388   28.613   4.2227  1399.77   97.314  1343.62  101.110 56.15698 140.3329 
1 1 1  -14    5   11 o  2759.48   86.350  119.836   7.4612  116.989   10.554  122.681   10.549  2719.06  123.960  2785.12  120.966 -66.06226 173.2018 
1 1 1  -14    5   13 o  1448.64   70.332   32.977   3.1903   34.946   4.5260   31.033   4.4976  1485.55   97.848  1398.56  103.438 86.98694 142.3850 
1 1 1  -14    5   15 o  1203.29   69.824   22.836   2.6195   22.563   3.6883   23.115   3.7210  1191.48   99.780  1206.14   99.409 -14.65723 140.8481 
1 1 1  -14    5   17 o  1830.39   73.652   52.723   4.2213   55.811   5.9837   49.664   5.9560  1876.07  102.246  1768.08  108.101 107.9974 148.7953 
1 1 1  -14    5   19 o  1996.82   76.025   62.846   4.7535   61.163   6.7267   64.524   6.7183  1959.80  110.061  2014.03  106.914 -54.23718 153.4407 
1 1 1  -14    5   21 o  1537.36   83.666   37.486   4.0124   40.660   4.9241   31.214   6.9219  1597.31   98.938  1376.93  163.756 220.3765 191.3237 
1 1 1  -14    5   23 f  1107.42   71.139   19.453   2.4538   18.445   3.4865   20.442   3.4540  1069.89  105.442  1128.71   98.723 -58.82153 144.4449 
1 1 1  -14    5   25 o  3038.80   92.950  147.298   8.8444  152.033   12.517  142.576   12.498  3059.80  130.649  2959.63  134.865 100.1763 187.7706 
1 1 1  -14    5   27 o  1804.01   76.549   51.691   4.3241   51.886   6.0981   51.493   6.1324  1791.18  109.249  1783.79  110.334 7.387329 155.2704 
1 1 1  -14    5   29 o  1059.63   84.807   18.041   2.7903   20.128   4.8372   17.000   3.4159  1094.37  144.710  1020.11  108.610 74.26379 180.9337 
1 1 1  -14    5   31 o  2718.47  101.316  119.634   8.6242  119.257   10.581  120.380   14.886  2690.55  125.591  2628.17  182.012 62.38330 221.1369 
1 1 1  -14    5   33 o  620.078   96.099   6.3747   1.8055   6.9944   2.2104   5.1324   3.1296  643.452  113.876  538.269  167.669 105.1827 202.6842 
1 1 1  -14    5   35 o  585.676  103.383   5.7846   1.8266   6.4053   2.2572   4.6069   3.1094  609.041  122.601  509.793  167.983 99.24780 207.9645 
1 1 1  -14    5   37 o  1766.57   87.873   50.739   4.8608   53.399   5.9656   45.486   8.3844  1794.01  106.678  1587.01  171.448 207.0018 201.9271 
1 1 1  -14    5   39 o  2014.41   91.893   66.147   5.7962   65.098   7.1256   68.199   9.9652  1972.80  115.860  1958.35  164.020 14.45081 200.8133 
1 1 1  -14    5   41 o  4384.79  144.979  333.659   19.905  334.887   24.409  331.220   34.392  4272.52  182.453  3853.37  287.100 419.1541 340.1696 
1 1 1  -14    5   43 o  3961.14  135.064  272.117   16.752  272.143   20.549  272.065   28.927  3852.20  170.361  3502.52  265.736 349.6782 315.6553 
1 1 1  -14    5   45 o  629.721  138.864   7.2317   2.6645   7.0438   4.0388   7.3765   3.5456  589.883  191.306  612.284  175.735 -22.40021 259.7706 
1 1 1  -14    5   47 o  1680.16  112.602   48.742   5.8897   52.266   8.3890   45.316   8.2708  1657.79  163.748  1521.73  176.877 136.0583 241.0373 
1 1 1  -14    5   49 o  2274.31  126.391   93.251   8.9653   99.451   12.706   87.102   12.652  2185.22  187.506  1998.13  205.132 187.0927 277.9167 
1 1 1  -14    5   51 f  3306.69  128.727  207.615   13.328  213.232   16.370  196.569   22.956  3175.29  165.218  2356.12  319.398 819.1672 359.5996 
1 1 1  -14    5   53 o  3034.25  131.100  192.345   12.456  202.266   15.302  172.862   21.443  2871.09  170.985  1395.13  439.592 1475.958 471.6741 
1 1 1  -14    5   55 o  1543.57  104.661   48.749   5.0287   47.408   6.2019   51.323   8.5919  1382.59  145.436  1063.26  260.189 319.3298 298.0768 
1 1 1  -14    5   57 o  341.962  144.551   4.3325   2.6639   7.8897   4.2337   2.0012   3.4273  365.883  166.867  281.024  134.841 84.85895 214.5382 
1 1 1  -14    5   59 o  597.835  190.981   18.238   4.0367   23.544   6.1142   14.138   5.3745  414.931  193.222  344.579  166.208 70.35193 254.8719 
1 1 1  -14    5   61 o  809.528  256.219   64.232   7.2785   65.047   10.488   63.474   10.109  ?   ?   ?   ?  0.000000      ? 
1 1 1  -14    6    2 o  790.335   70.076   9.8866   1.7162   9.8825   2.4355   9.8908   2.4188  785.523  101.382  785.996  100.585 -0.4726563 142.8136 
1 1 1  -14    6    4 o  1905.27   73.284   57.027   4.3720   48.255   6.1639   65.909   6.2023  1744.87  113.434  2045.66   96.828 -300.7981 149.1402 
1 1 1  -14    6    6 o  3398.07   96.479  181.866   10.266  187.736   14.526  176.009   14.509  3442.73  134.750  3332.22  139.058 110.5146 193.6352 
1 1 1  -14    6    8 o  685.940   74.173   7.4788   1.5678   6.9409   2.2550   7.9821   2.1811  653.712  114.327  704.487  101.832 -50.77515 153.1027 
1 1 1  -14    6   10 o  877.161   69.420   12.161   1.8911   12.954   2.7208   11.420   2.6304  901.414   97.973  845.134  101.424 56.28052 141.0162 
1 1 1  -14    6   12 o  800.547   70.971   10.150   1.7606   9.6935   2.5037   10.596   2.4762  776.677  105.695  813.791   99.230 -37.11377 144.9762 
1 1 1  -14    6   14 o  835.035   70.346   11.038   1.8222   9.7410   2.5611   12.368   2.5931  777.840  108.074  880.433   95.597 -102.5938 144.2872 
1 1 1  -14    6   16 f  3163.20   93.902  157.954   9.3007  156.406   13.154  159.502   13.152  3134.29  134.030  3165.69  132.683 -31.39990 188.5974 
1 1 1  -14    6   18 o  789.713   71.698   9.9004   1.7536   10.354   2.4768   9.4449   2.4832  802.508  100.787  764.706  106.604 37.80225 146.7055 
1 1 1  -14    6   20 f  1723.37   85.471   46.974   4.6123   47.148   5.6219   46.617   8.0666  1719.09  104.942  1691.43  153.995 27.66907 186.3522 
1 1 1  -14    6   22 o  1573.69   71.934   39.116   3.5446   39.134   5.0151   39.099   5.0106  1563.66  103.006  1562.97  102.958 0.6843262 145.6387 
1 1 1  -14    6   24 o  2629.57   85.004  109.856   6.9991  100.733   9.8726  119.075   9.9240  2492.93  126.894  2720.35  116.505 -227.4202 172.2662 
1 1 1  -14    6   26 o  2445.08   81.531   95.038   6.2422   99.021   8.8205   91.041   8.8351  2478.17  113.669  2369.96  119.440 108.2104 164.8834 
1 1 1  -14    6   28 o  1221.78  102.288   24.161   3.8772   22.266   5.5542   25.961   5.4149  1146.74  158.957  1249.15  140.902 -102.4065 212.4162 
1 1 1  -14    6   30 o  2841.62  104.047  130.591   9.2579  130.346   11.362  131.077   15.970  2815.01  128.899  2746.74  186.792 68.26904 226.9497 
1 1 1  -14    6   32 o  1517.45   85.192   37.129   4.0315   39.448   4.9591   32.608   6.9232  1554.34  102.467  1368.96  164.822 185.3802 194.0762 
1 1 1  -14    6   34 o  2882.75  106.648  136.629   9.6267  135.746   11.818  138.369   16.597  2835.96  133.084  2749.94  193.986 86.01782 235.2489 
1 1 1  -14    6   36 o  1220.62   84.386   24.208   3.2055   24.949   3.9501   22.777   5.4856  1228.07  103.692  1133.87  158.865 94.19275 189.7103 
1 1 1  -14    6   38 o  4078.96  133.294  281.734   17.025  289.396   20.893  266.592   29.370  4054.70  164.557  3594.41  262.775 460.2986 310.0478 
1 1 1  -14    6   40 o  1537.16   88.697   38.490   4.2511   37.272   5.2751   40.746   7.1797  1494.21  113.598  1526.14  152.275 -31.93457 189.9792 
1 1 1  -14    6   42 o  2379.47  121.867   95.869   9.0495   98.381   12.848   93.395   12.749  2313.35  178.754  2246.22  182.843 67.13062 255.7042 
1 1 1  -14    6   44 o  950.154  112.935   15.415   3.2942   18.642   4.8466   12.644   4.4911  1008.21  158.772  808.215  181.859 199.9934 241.4154 
1 1 1  -14    6   46 o  4059.80  185.058  321.101   23.525  321.270   33.306  320.932   33.233  3514.82  305.664  3516.83  304.802 -2.012207 431.6650 
1 1 1  -14    6   48 o  1469.52   91.860   36.282   4.2057   37.129   5.2329   34.737   7.0679  1458.33  115.542  1329.02  174.021 129.3087 208.8855 
1 1 1  -14    6   50 o  1581.08   92.836   42.904   4.5759   47.450   5.6816   34.511   7.7198  1631.15  111.917  1225.56  208.642 405.5876 236.7634 
1 1 1  -14    6   52 o  1103.88   99.127   22.217   3.3898   21.223   4.2296   24.002   5.6681  1019.97  135.807  983.212  190.991 36.76074 234.3523 
1 1 1  -14    6   54 o  1801.36  103.706   63.846   5.8248   65.344   7.2373   61.090   9.8144  1698.65  137.240  1228.58  263.056 470.0641 296.7041 
1 1 1  -14    6   56 o  561.150  143.572   8.4263   2.5330   8.7055   3.3014   8.0267   3.9495  482.975  172.580  412.583  175.290 70.39191 245.9884 
1 1 1  -14    6   58 o  1341.64  166.891   60.590   6.8596   74.912   10.135   48.483   9.3183  753.489  295.213  493.735  232.657 259.7542 375.8720 
1 1 1  -14    6   60 o  933.649  217.276   48.462   6.2328   52.508   9.0408   44.798   8.6043  406.195  200.108  383.610  190.114 22.58475 276.0196 
1 1 1  -14    6   62 o  534.493  216.478   38.647   5.6319   40.987   8.4250   36.757   7.5725  ?   ?   296.093  150.524 0.000000 150.5240 
1 1 1  -14    7    1 o  813.162   69.851   10.463   1.7613   10.404   2.4885   10.522   2.4932  806.248  100.771  810.983  100.322 -4.734192 142.1943 
1 1 1  -14    7    3 o  1034.84   69.340   16.895   2.2339   17.305   3.1781   16.494   3.1406  1043.44   98.435  1018.26   99.781 25.17957 140.1633 
1 1 1  -14    7    5 o  2410.82   80.888   91.390   6.1061   95.462   8.6487   87.343   8.6220  2459.00  112.325  2351.27  117.109 107.7373 162.2694 
1 1 1  -14    7    7 o  990.210   69.276   15.476   2.1344   16.573   3.0254   14.389   3.0118  1021.28   95.722  949.810  102.914 71.47577 140.5488 
1 1 1  -14    7    9 o  2237.67   77.448   78.726   5.4265   76.761   7.6701   80.696   7.6785  2201.79  111.616  2260.89  108.462 -59.09351 155.6349 
1 1 1  -14    7   11 o  1924.40   75.495   58.230   4.5492   58.732   6.4331   57.727   6.4338  1925.60  107.118  1908.81  108.088 16.79077 152.1748 
1 1 1  -14    7   13 o  3719.31  103.142  218.493   12.012  216.572   16.993  220.412   16.982  3686.20  147.221  3719.35  145.819 -33.15674 207.2130 
1 1 1  -14    7   15 o  965.767   71.493   14.753   2.1466   15.801   3.0469   13.721   3.0248  995.165   99.098  925.274  106.333 69.89063 145.3515 
1 1 1  -14    7   17 f  2359.16   81.506   87.793   6.0210   87.510   8.5183   88.076   8.5115  2346.40  115.941  2354.11  115.469 -7.713623 163.6315 
1 1 1  -14    7   19 o  1612.85   85.042   41.241   4.2796   42.017   5.2132   39.638   7.4946  1623.28  103.098  1558.47  155.663 64.80676 186.7086 
1 1 1  -14    7   21 o  1550.64   71.778   37.964   3.4851   33.921   4.8774   42.182   4.9818  1454.32  107.873  1625.70   98.327 -171.3801 145.9614 
1 1 1  -14    7   23 o  1084.36   73.489   18.684   2.4805   19.505   3.4696   17.825   3.5477  1100.81  101.812  1049.63  109.557 51.18408 149.5605 
1 1 1  -14    7   25 o  1562.66   84.756   38.932   4.1317   38.619   5.0716   39.551   7.1245  1548.86  105.197  1546.69  148.948 2.164673 182.3509 
1 1 1  -14    7   27 o  2234.50  114.204   80.830   7.9639   82.032   11.368   79.672   11.160  2211.97  165.327  2180.34  164.680 31.63257 233.3509 
1 1 1  -14    7   29 o  948.981   85.057   14.494   2.5006   13.443   3.1200   16.382   4.1817  904.432  112.606  988.386  138.953 -83.95355 178.8526 
1 1 1  -14    7   31 o  1610.09   85.314   41.699   4.2858   43.232   5.2767   38.727   7.3469  1629.08  103.985  1503.71  158.419 125.3772 189.4983 
1 1 1  -14    7   33 o  1196.79   86.076   23.205   3.2041   22.267   3.9349   25.050   5.5197  1160.28  109.605  1204.91  149.514 -44.63025 185.3852 
1 1 1  -14    7   35 o  798.174   95.676   10.500   2.3436   11.063   2.9000   9.4403   3.9787  809.587  117.858  715.790  178.207 93.79718 213.6544 
1 1 1  -14    7   37 f  2070.29   92.952   69.594   6.0257   68.033   7.4138   72.633   10.343  2022.58  117.569  2035.65  163.651 -13.06543 201.5048 
1 1 1  -14    7   39 o  1281.56  106.923   27.158   4.2515   28.216   6.0200   26.106   6.0051  1271.34  154.391  1216.58  161.639 54.75879 223.5261 
1 1 1  -14    7   41 o  4246.71  178.997  326.208   23.802  329.835   33.683  322.591   33.639  3921.91  276.042  3864.08  279.922 57.82593 393.1353 
1 1 1  -14    7   43 o  484.427  141.814   4.2059   2.2886   4.4489   3.3713   3.9982   3.1168  498.957  174.769  477.915  168.005 21.04111 242.4251 
1 1 1  -14    7   45 o  1171.37   89.673   22.709   3.2641   24.427   4.0882   19.688   5.4212  1199.07  110.117  1016.66  176.710 182.4106 208.2113 
1 1 1  -14    7   47 o  1225.94   91.828   25.107   3.4994   25.539   4.4205   24.382   5.7273  1212.45  117.929  1132.55  166.469 79.90356 204.0072 
1 1 1  -14    7   49 o  1474.52   90.916   36.778   4.1772   36.382   5.2144   37.488   6.9789  1431.92  117.328  1379.20  164.867 52.71631 202.3537 
1 1 1  -14    7   51 o  3415.32  132.896  226.556   14.212  236.100   17.470  207.880   24.439  3287.99  170.270  2201.96  367.391 1086.028 404.9300 
1 1 1  -14    7   53 o  3067.45  139.855  205.434   13.433  201.175   16.510  213.775   23.105  2683.77  197.859  1610.21  443.939 1073.561 486.0346 
1 1 1  -14    7   55 o  1350.34  103.215   37.041   4.3311   36.931   5.3954   37.241   7.2631  1230.12  142.726  923.821  246.509 306.3027 284.8458 
1 1 1  -14    7   57 o  781.223  177.062   20.450   4.2312   19.921   6.7759   20.788   5.4173  428.611  200.837  573.745  218.154 -145.1347 296.5244 
1 1 1  -14    7   59 o  1453.50  122.032   56.369   5.5026   61.830   6.8820   46.690   9.1621  1270.38  177.886  427.785  208.805 842.5908 274.3045 
1 1 1  -14    7   61 o  1066.60  220.410   68.942   7.1178   97.135   10.522   45.158   9.6646  512.515  243.204  ?   ?  0.000000 243.2041 
1 1 1  -14    8    2 o  2207.98   77.655   76.658   5.3688   76.061   7.6018   77.252   7.5836  2191.68  111.133  2211.81  109.499 -20.12939 156.0150 
1 1 1  -14    8    4 o  1712.53   72.092   46.085   3.8658   48.160   5.4690   44.013   5.4651  1744.80  100.529  1666.90  105.247 77.90002 145.5438 
1 1 1  -14    8    6 o  1684.46   72.473   44.590   3.8225   42.760   5.4082   46.418   5.4037  1642.75  105.700  1712.66  101.212 -69.91003 146.3431 
1 1 1  -14    8    8 o  1382.33   71.072   30.107   3.0659   30.795   4.3285   29.415   4.3432  1393.84   99.837  1361.61  102.623 32.22815 143.1748 
1 1 1  -14    8   10 o  2403.33   80.718   90.898   6.0744   86.877   8.6015   94.898   8.5794  2339.95  117.771  2449.86  111.841 -109.9109 162.4146 
1 1 1  -14    8   12 o  262.232  100.792   0.7224   1.1643   1.0613   1.3773  -0.1261   2.1792  296.783  110.609  300.157  128.926 -3.373749 169.8718 
1 1 1  -14    8   14 o  2763.35   87.552  120.464   7.5757  116.519   10.720  124.399   10.707  2706.63  126.485  2798.11  122.209 -91.47998 175.8797 
1 1 1  -14    8   16 f  2338.77   81.096   86.288   5.9389   87.835   8.4027   84.744   8.3950  2350.96  114.146  2305.67  116.660 45.28979 163.2142 
1 1 1  -14    8   18 o  1406.87   72.639   31.292   3.1890   29.768   4.5094   32.816   4.5105  1364.49  106.384  1434.43  101.067 -69.94165 146.7381 
1 1 1  -14    8   20 o  585.403   85.698   5.5387   1.5244   6.0467   2.0502   4.9107   2.2794  606.287  112.127  541.828  134.881 64.45850 175.4002 
1 1 1  -14    8   22 o  1159.25   81.158   21.393   2.9274   21.111   3.6089   21.935   5.0055  1146.21  101.606  1155.16  141.331 -8.955933 174.0636 
1 1 1  -14    8   24 o  984.844   84.121   15.509   2.5692   17.285   3.1786   12.161   4.3638  1036.06   99.190  843.587  171.055 192.4698 197.7336 
1 1 1  -14    8   26 o  1140.12  104.367   21.011   3.6845   19.807   5.3838   22.072   5.0534  1082.49  163.969  1153.49  142.975 -71.00098 217.5487 
1 1 1  -14    8   28 o  1644.12   85.679   43.242   4.3956   40.215   5.3936   49.229   7.5851  1574.48  110.095  1723.64  141.796 -149.1648 179.5192 
1 1 1  -14    8   30 o  3382.59  116.609  186.777   12.351  183.067   15.150  194.127   21.326  3310.39  146.158  3301.73  207.333 8.659424 253.6714 
1 1 1  -14    8   32 o  821.951   94.059   11.051   2.3772   9.4644   2.9826   13.815   3.9362  744.318  132.846  896.113  145.254 -151.7945 196.8424 
1 1 1  -14    8   34 o  269.483  110.246   0.5154   1.4785   0.2134   1.9230   0.9522   2.3124  287.296  122.192  337.862  138.007 -50.56561 184.3279 
1 1 1  -14    8   36 o  1911.48  111.120   60.176   6.6222   56.465   9.3697   63.879   9.3607  1795.23  168.659  1923.79  156.757 -128.5624 230.2575 
1 1 1  -14    8   38 o  3688.55  155.423  233.678   17.951  227.376   25.389  239.979   25.384  3438.88  237.232  3554.64  229.285 -115.7639 329.9250 
1 1 1  -14    8   40 o  2385.32  121.215   95.016   9.0238   92.199   12.741   97.851   12.782  2264.83  181.181  2342.63  175.527 -77.79517 252.2627 
1 1 1  -14    8   42 o  4308.88  142.281  320.574   19.197  319.152   23.545  323.395   33.156  4184.83  179.679  3857.96  276.293 326.8694 329.5789 
1 1 1  -14    8   44 o  2697.02  105.573  121.284   8.9157  117.397   10.959  128.892   15.333  2601.14  135.013  2607.41  189.087 -6.270996 232.3415 
1 1 1  -14    8   46 o  3399.57  123.189  199.108   13.113  187.626   16.079  221.910   22.660  3195.84  161.203  3264.87  222.986 -69.02710 275.1529 
1 1 1  -14    8   48 f  584.066  135.510   6.3250   2.4304   5.8659   3.0573   7.1131   4.0058  544.013  165.061  580.166  190.643 -36.15277 252.1701 
1 1 1  -14    8   50 o  2608.67  110.861  121.609   9.0556  116.559   11.134  131.477   15.564  2443.08  146.221  2347.19  214.120 95.89136 259.2829 
1 1 1  -14    8   52 o  2435.62  106.639  110.970   8.1328  116.735   10.037   99.950   13.877  2382.77  135.082  1717.28  266.732 665.4954 298.9868 
1 1 1  -14    8   54 o  833.004  119.545   14.593   3.0288   12.732   3.8758   17.513   4.8540  658.387  181.948  727.452  204.550 -69.06439 273.7619 
1 1 1  -14    8   56 o  1165.38  106.009   28.855   3.8261   31.526   4.8360   24.385   6.2559  1112.08  142.128  628.636  235.447 483.4401 275.0194 
1 1 1  -14    8   58 o  1583.02  231.493  121.660   11.136  121.660   11.136   0.0000   0.0000  1583.02  231.493  ?   ?  0.000000 231.4935 
1 1 1  -14    8   60 o  1633.28  127.699   77.893   6.4788   87.732   8.0427   59.707   10.934  1427.84  184.184  358.215  181.985 1069.627 258.9254 
1 1 1  -14    9    1 o  1606.78   71.532   40.593   3.5989   40.924   5.0970   40.263   5.0824  1606.67  101.840  1593.49  102.401 13.18103 144.4209 
1 1 1  -14    9    3 o  881.148   70.613   12.282   1.9319   12.840   2.7627   11.749   2.7025  896.542  100.122  856.641  102.805 39.90088 143.5037 
1 1 1  -14    9    5 o  1163.85   69.430   21.364   2.5187   17.081   3.5426   25.743   3.5817  1033.58  111.213  1274.97   90.300 -241.3859 143.2560 
1 1 1  -14    9    7 o  1351.74   70.283   28.800   2.9645   27.462   4.1977   30.131   4.1873  1314.80  102.780  1378.50   97.640 -63.70203 141.7645 
1 1 1  -14    9    9 o  1661.76   72.343   43.431   3.7643   41.655   5.3345   45.192   5.3125  1619.93  105.748  1688.56  100.939 -68.63147 146.1895 
1 1 1  -14    9   11 o  898.993   71.381   12.793   1.9928   14.560   2.8513   11.105   2.7863  955.409   96.639  830.546  109.834 124.8636 146.2962 
1 1 1  -14    9   13 o  1284.20   70.926   26.034   2.8410   25.874   4.0100   26.195   4.0255  1274.82  101.292  1282.78  101.037 -7.959229 143.0681 
1 1 1  -14    9   15 o  1100.41   81.299   19.209   2.7814   20.645   3.4313   16.458   4.7497  1137.91   97.236  999.753  156.889 138.1594 184.5779 
1 1 1  -14    9   17 o  1067.99   82.979   18.130   2.7532   16.900   3.4045   20.456   4.6803  1025.55  107.622  1121.43  136.074 -95.88464 173.4890 
1 1 1  -14    9   19 o  2208.55   90.929   77.345   6.2882   78.199   7.7342   75.680   10.801  2210.79  112.092  2150.17  161.600 60.61987 196.6703 
1 1 1  -14    9   21 o  2504.91   96.295   99.807   7.5529  102.864   9.2744   93.789   13.015  2533.53  116.908  2379.38  175.932 154.1543 211.2334 
1 1 1  -14    9   23 o  3241.88  110.429  168.326   11.210  167.376   13.754  170.204   19.345  3213.56  136.690  3180.20  195.208 33.36523 238.3078 
1 1 1  -14    9   25 o  1613.09  105.573   41.860   5.3031   37.722   7.5434   45.905   7.4567  1503.44  162.839  1670.82  143.932 -167.3790 217.3315 
1 1 1  -14    9   27 o  1596.30   85.505   40.714   4.2583   41.075   5.2423   40.012   7.3012  1595.06  105.558  1549.23  152.485 45.82996 185.4568 
1 1 1  -14    9   29 o  2214.01   92.629   78.661   6.4216   79.728   7.9178   76.608   10.977  2212.05  114.705  2123.13  166.452 88.92651 202.1478 
1 1 1  -14    9   31 o  896.421  109.640   13.263   3.0133   14.559   4.2227   11.918   4.3015  919.507  151.970  819.397  173.076 100.1102 230.3263 
1 1 1  -14    9   33 f  1029.37  103.621   17.390   3.2945   13.436   4.6170   21.492   4.7025  866.814  176.110  1127.82  135.896 -261.0040 222.4464 
1 1 1  -14    9   35 o  2397.60  119.037   94.612   8.9367   85.989   12.625  103.271   12.651  2206.87  184.396  2445.01  166.236 -238.1394 248.2667 
1 1 1  -14    9   37 o  2048.76   92.766   67.782   5.9511   69.287   7.3420   64.899   10.161  2052.19  114.716  1931.76  169.711 120.4264 204.8451 
1 1 1  -14    9   39 o  2002.24   93.775   64.954   5.8793   61.567   7.2482   71.469   10.052  1924.91  120.869  2032.44  159.227 -107.5249 199.9066 
1 1 1  -14    9   41 o  2536.01  101.725  105.449   8.0779  101.044   9.9436  113.998   13.852  2444.65  130.372  2521.17  176.583 -76.52051 219.4960 
1 1 1  -14    9   43 o  1101.68   91.765   19.957   3.1368   17.944   3.8767   23.773   5.3380  1025.01  123.256  1159.11  150.635 -134.1013 194.6359 
1 1 1  -14    9   45 o  966.894   97.339   15.584   2.9069   11.905   3.5980   22.500   4.9330  813.513  146.643  1126.80  143.035 -313.2903 204.8487 
1 1 1  -14    9   47 o  843.195  108.968   12.217   2.8097   10.400   3.4965   15.531   4.7208  744.591  155.006  895.459  174.637 -150.8674 233.5063 
1 1 1  -14    9   49 o  1667.71   91.260   47.200   4.7476   46.357   5.8353   48.849   8.1652  1614.71  116.189  1557.26  170.224 57.44519 206.0974 
1 1 1  -14    9   51 o  2093.58   98.906   78.417   6.4838   80.265   8.0023   74.887   11.063  2039.08  125.949  1708.00  211.366 331.0809 246.0462 
1 1 1  -14    9   53 o  1914.37  104.137   70.266   6.2189   66.633   7.6142   77.546   10.778  1737.30  141.191  1569.11  225.873 168.1818 266.3709 
1 1 1  -14    9   55 o  2069.86  109.353   89.053   7.0623   95.191   8.6944   77.149   12.108  1987.71  140.599  962.653  331.547 1025.058 360.1267 
1 1 1  -14    9   57 o  1882.12  188.261  124.115   10.946  124.115   10.946   0.0000   0.0000  1882.12  188.261  ?   ?  0.000000 188.2613 
1 1 1  -14    9   59 o  1822.62  134.448   94.886   7.6189  100.342   9.3893   84.368   13.036  1495.00  206.049  428.765  215.630 1066.239 298.2490 
1 1 1  -14    9   61 o  1271.72  139.522   54.416   5.4646   55.782   6.7963   51.918   9.1912  839.826  243.964  354.741  178.743 485.0854 302.4362 
1 1 1  -14   10    2 o  2405.66   80.192   91.150   6.0406   95.298   8.5736   87.062   8.5123  2452.93  111.625  2343.46  116.003 109.4673 160.9871 
1 1 1  -14   10    4 o  922.870   71.177   13.475   2.0409   11.938   2.9149   14.953   2.8585  861.559  110.604  968.665   95.485 -107.1055 146.1185 
1 1 1  -14   10    6 o  576.352   95.211   5.3798   1.6583   5.1979   2.1020   5.6798   2.6986  561.631  122.936  585.225  147.355 -23.59442 191.9032 
1 1 1  -14   10    8 o  1032.69   81.729   16.907   2.6212   16.906   3.2569   16.908   4.4165  1029.04  102.438  1020.12  142.125 8.918396 175.1941 
1 1 1  -14   10   10 o  2131.01   89.799   71.685   5.9921   72.225   7.3576   70.620   10.326  2131.78  110.604  2091.44  158.862 40.33545 193.5727 
1 1 1  -14   10   12 o  962.121   83.122   14.710   2.4796   13.853   3.0487   16.385   4.2618  928.914  106.755  1003.30  139.426 -74.38458 175.6029 
1 1 1  -14   10   14 o  2052.73   89.428   66.615   5.7480   62.856   7.0462   74.094   9.9382  1984.91  113.845  2141.75  149.121 -156.8413 187.6106 
1 1 1  -14   10   16 o  913.235   85.249   13.297   2.4096   13.726   2.9697   12.471   4.1223  923.879  104.493  865.713  157.888 58.16602 189.3335 
1 1 1  -14   10   18 o  3649.25  147.683  215.292   16.875  215.292   16.875   0.0000   0.0000  3649.25  147.683  ?   ?  0.000000 147.6831 
1 1 1  -14   10   20 o  1939.25   86.453   59.590   5.2496   64.868   6.4586   49.312   9.0119  2015.92  102.656  1728.37  168.668 287.5468 197.4518 
1 1 1  -14   10   22 o  2552.12   98.211  103.713   7.8484  101.175   9.6347  108.718   13.531  2508.98  122.637  2566.18  169.348 -57.20776 209.0901 
1 1 1  -14   10   24 o  2284.46  113.497   83.788   8.1186   89.528   11.613   78.301   11.355  2328.19  160.267  2170.86  168.361 157.3308 232.4453 
1 1 1  -14   10   26 o  1506.59   86.673   36.259   4.0716   35.206   5.0480   38.218   6.8877  1475.57  110.047  1519.61  146.570 -44.03784 183.2846 
1 1 1  -14   10   28 o  1809.96   88.330   52.376   5.0060   52.188   6.1650   52.740   8.5773  1793.30  110.325  1772.13  156.171 21.16516 191.2091 
1 1 1  -14   10   30 o  472.475  128.647   3.7971   1.9545   0.5707   2.7546   7.0683   2.7737  351.017  147.611  640.937  141.948 -289.9200 204.7879 
1 1 1  -14   10   32 o  2030.75  112.087   67.412   7.0997   61.140   10.047   73.669   10.034  1880.52  172.548  2084.06  154.870 -203.5361 231.8567 
1 1 1  -14   10   34 o  3229.90  113.552  170.183   11.484  165.296   14.098  179.822   19.800  3146.14  143.105  3185.05  199.540 -38.90674 245.5506 
1 1 1  -14   10   36 o  2760.58  105.062  123.653   9.0816  119.219   11.165  132.323   15.613  2682.51  132.920  2756.70  181.893 -74.18750 225.2836 
1 1 1  -14   10   38 o  1455.55   89.828   34.243   4.0741   32.046   5.0586   38.298   6.8730  1392.81  117.077  1500.70  148.198 -107.8934 188.8645 
1 1 1  -14   10   40 o  1148.26   90.496   21.453   3.2274   22.553   4.0454   19.526   5.3528  1165.99  112.188  1048.61  168.748 117.3793 202.6379 
1 1 1  -14   10   42 o  1982.40   95.473   64.156   5.9264   59.630   7.3382   72.644   10.049  1880.31  125.354  2032.69  159.161 -152.3794 202.5976 
1 1 1  -14   10   44 o  2993.28  108.328  148.983   10.153  150.391   12.482  146.230   17.455  2960.62  134.648  2766.81  202.888 193.8027 243.5026 
1 1 1  -14   10   46 o  1934.17   91.630   61.661   5.5494   59.510   6.8382   65.809   9.4975  1867.48  117.541  1897.12  161.416 -29.63794 199.6774 
1 1 1  -14   10   48 o  1853.23   90.651   57.496   5.2604   62.168   6.5246   48.817   8.8922  1895.41  110.412  1550.26  186.956 345.1476 217.1250 
1 1 1  -14   10   50 o  1679.21   96.351   49.363   5.0450   46.437   6.2135   55.022   8.6424  1567.95  127.667  1591.49  176.391 -23.54504 217.7447 
1 1 1  -14   10   52 o  1685.39   99.300   52.330   5.2172   50.397   6.4052   56.141   8.9935  1568.44  131.638  1442.93  204.800 125.5095 243.4576 
1 1 1  -14   10   54 o  1280.24  103.474   32.201   4.1126   31.673   5.0722   33.213   7.0261  1176.51  140.462  947.667  237.304 228.8433 275.7584 
1 1 1  -14   10   56 o  1237.51  157.303   41.767   5.9577   41.767   5.9577   0.0000   0.0000  1237.51  157.303  ?   ?  0.000000 157.3030 
1 1 1  -14   10   58 o  1015.51  125.689   26.035   3.9113   22.751   4.8118   32.432   6.7152  713.910  204.671  628.588  241.947 85.32202 316.9047 
1 1 1  -14   10   60 o  1744.77  144.740   98.514   7.8362  101.340   9.6279   92.969   13.488  1242.61  255.965  ?   ?  0.000000 255.9646 
1 1 1  -14   11    1 o  3327.38  130.873  176.443   13.635  208.366   19.383  145.165   19.186  3592.77  172.294  2972.58  207.422 620.1870 269.6464 
1 1 1  -14   11    3 o  1330.43   82.696   28.012   3.4280   29.174   4.2413   25.821   5.8216  1354.43  100.726  1261.43  150.351 93.00403 180.9727 
1 1 1  -14   11    5 o  2224.60   90.911   78.136   6.3327   79.923   7.7903   74.657   10.873  2245.31  110.805  2149.06  162.789 96.25073 196.9217 
1 1 1  -14   11    7 o  392.753  110.919   2.5110   1.4241   2.4858   1.8373   2.5490   2.2538  400.107  128.954  416.579  143.067 -16.47208 192.6066 
1 1 1  -14   11    9 o  971.762   83.028   15.002   2.5021   15.802   3.1284   13.581   4.1685  993.996  101.956  908.679  151.865 85.31677 182.9148 
1 1 1  -14   11   11 o  560.096   98.492   5.1082   1.6643   5.1218   2.1071   5.0855   2.7136  556.421  124.098  553.741  151.922 2.679382 196.1644 
1 1 1  -14   11   13 o  540.198  100.960   4.7712   1.6449   5.6571   2.0200   3.0275   2.8341  586.771  114.051  456.974  160.229 129.7973 196.6754 
1 1 1  -14   11   15 o  443.771  112.978   3.2547   1.5740   4.4323   1.9663   1.1542   2.6261  516.786  123.245  371.475  148.743 145.3115 193.1673 
1 1 1  -14   11   17 o  1885.47  108.987   56.771   6.4070   56.771   6.4070   0.0000   0.0000  1885.47  108.987  ?   ?  0.000000 108.9870 
1 1 1  -14   11   19 o  1618.50   84.476   41.566   4.2663   41.977   5.2304   40.749   7.3747  1621.12  103.581  1579.75  150.922 41.36182 183.0477 
1 1 1  -14   11   21 o  2338.66   94.517   86.903   6.9214   85.703   8.5015   89.263   11.920  2310.27  117.914  2330.86  164.371 -20.59912 202.2908 
1 1 1  -14   11   23 o  345.112  130.014   1.4524   1.9130   5.5707   3.2365  -0.7590   2.3716  575.006  168.736  291.423  129.548 283.5833 212.7312 
1 1 1  -14   11   25 o  1149.36   86.640   21.130   3.0952   21.946   3.8807   19.702   5.1312  1164.93  107.605  1084.66  155.530 80.26257 189.1253 
1 1 1  -14   11   27 o  670.164  120.507   7.4876   2.4358   7.4237   3.4823   7.5488   3.4085  653.301  168.963  659.570  165.350 -6.269043 236.4086 
1 1 1  -14   11   29 o  2008.93  110.997   65.562   6.9551   64.763   9.8370   66.362   9.8351  1957.35  161.956  1983.50  159.707 -26.14832 227.4555 
1 1 1  -14   11   31 o  592.001  111.909   5.8566   1.9985   4.5160   2.5009   8.2250   3.3241  513.771  147.630  687.866  157.700 -174.0945 216.0179 
1 1 1  -14   11   33 o  1629.11  106.057   43.062   5.3806   41.785   7.6136   44.337   7.6051  1572.79  156.684  1624.43  151.253 -51.63354 217.7782 
1 1 1  -14   11   35 o  632.281  132.545   6.7994   2.5403   8.1509   3.8048   5.7124   3.4121  678.358  177.189  573.608  174.450 104.7495 248.6538 
1 1 1  -14   11   37 o  1543.38  108.287   38.861   5.2001   38.352   7.4006   39.356   7.3082  1498.33  160.225  1521.51  155.587 -23.18237 223.3369 
1 1 1  -14   11   39 o  1871.25  112.310   57.531   6.5502   53.320   9.3120   61.656   9.2154  1746.86  172.496  1896.28  156.602 -149.4215 232.9791 
1 1 1  -14   11   41 f  1482.78   90.687   35.723   4.1903   36.347   5.2299   34.606   7.0030  1480.54  113.679  1405.34  162.116 75.20093 198.0014 
1 1 1  -14   11   43 o  1962.19   92.450   62.703   5.6802   57.938   7.0183   71.751   9.6711  1857.30  121.346  2027.48  153.473 -170.1771 195.6501 
1 1 1  -14   11   45 o  2723.72  103.002  122.982   8.7847  124.693   10.840  119.706   14.994  2701.82  128.130  2517.42  191.658 184.4033 230.5428 
1 1 1  -14   11   47 o  3612.68  125.110  227.789   14.153  220.419   17.380  242.292   24.382  3437.95  161.452  3312.69  236.610 125.2629 286.4453 
1 1 1  -14   11   49 o  1555.07   95.269   41.669   4.6166   39.720   5.7288   45.279   7.7969  1469.91  125.674  1481.53  171.226 -11.61792 212.3965 
1 1 1  -14   11   51 o  3539.42  142.954  257.453   15.843  248.280   19.430  275.649   27.367  3150.87  197.946  2404.38  375.799 746.4861 424.7445 
1 1 1  -14   11   53 o  2910.64  130.224  178.464   11.869  175.988   14.573  183.342   20.453  2606.75  179.638  1703.28  391.661 903.4733 430.8927 
1 1 1  -14   11   55 f  1294.33  145.022   40.666   5.7765   40.666   5.7765   0.0000   0.0000  1294.33  145.022  ?   ?  0.000000 145.0216 
1 1 1  -14   11   57 o  1667.34  116.555   63.540   6.0469   67.061   7.4442   56.710   10.368  1530.21  157.620  645.807  279.313 884.4031 320.7178 
1 1 1  -14   11   59 o  1749.23  125.295   80.808   6.8173   85.714   8.3835   71.231   11.713  1512.52  180.584  463.537  228.244 1048.981 291.0429 
1 1 1  -14   12    2 o  2436.74  113.889   94.266   8.6897  109.580   12.379   79.388   12.201  2609.01  152.189  2207.91  177.996 401.1052 234.1879 
1 1 1  -14   12    4 o  1051.69  101.374   17.665   3.2970   20.354   4.7205   15.103   4.6070  1121.02  137.352  957.425  159.268 163.5964 210.3140 
1 1 1  -14   12    6 o  1209.69  148.363   23.782   5.5020   23.782   5.5020   0.0000   0.0000  1209.69  148.363  ?   ?  0.000000 148.3628 
1 1 1  -14   12    8 o  1036.39  151.267   17.576   4.7643   17.576   4.7643   0.0000   0.0000  1036.39  151.267  ?   ?  0.000000 151.2671 
1 1 1  -14   12   10 o  416.682  112.280   2.8509   1.4980   5.3433   1.9538  -0.7040   2.3334  570.300  113.404  292.187  129.259 278.1128 171.9540 
1 1 1  -14   12   12 o  1864.80   86.099   54.929   5.0275   57.977   6.2126   49.148   8.5576  1909.16  104.319  1739.00  158.914 170.1609 190.0951 
1 1 1  -14   12   14 o  652.785   95.860   6.8870   1.9010   7.0980   2.4403   6.5613   3.0320  656.940  123.155  625.896  155.421 31.04419 198.2992 
1 1 1  -14   12   16 o  1230.38  151.864   24.761   5.7266   24.761   5.7266   0.0000   0.0000  1230.38  151.864  ?   ?  0.000000 151.8643 
1 1 1  -14   12   18 o  1659.13  105.664   43.958   5.4608   45.728   7.8422   42.291   7.6085  1675.57  151.097  1610.23  152.730 65.33459 214.8410 
1 1 1  -14   12   20 o  2027.27  108.535   65.719   6.8647   75.209   9.8204   56.651   9.5996  2150.96  146.683  1855.20  167.043 295.7600 222.3049 
1 1 1  -14   12   22 o  1389.61  104.017   30.976   4.4932   30.461   6.4264   31.468   6.2847  1359.05  153.715  1384.39  147.240 -25.34338 212.8560 
1 1 1  -14   12   24 o  1215.33  104.177   23.802   3.9261   22.487   5.6056   25.068   5.5006  1159.84  158.500  1231.44  145.462 -71.59753 215.1315 
1 1 1  -14   12   26 f  370.611  130.312   2.0099   1.8751   2.2948   2.7531   1.7634   2.5610  417.210  156.205  387.716  149.366 29.49417 216.1251 
1 1 1  -14   12   28 f  1660.01  107.002   44.564   5.5322   47.572   7.8442   41.588   7.8034  1690.15  149.771  1572.45  160.746 117.6921 219.7063 
1 1 1  -14   12   30 o  997.309  109.466   16.225   3.3622   12.674   4.8206   19.589   4.6918  848.557  186.512  1083.17  141.734 -234.6072 234.2547 
1 1 1  -14   12   32 o  2037.91  111.101   67.235   7.0628   62.062   9.9588   72.470   10.018  1918.17  167.486  2084.53  154.584 -166.3594 227.9204 
1 1 1  -14   12   34 o  1162.07  107.678   21.952   3.8736   23.990   5.5010   19.948   5.4554  1195.31  150.300  1080.33  166.628 114.9795 224.3990 
1 1 1  -14   12   36 o  858.446  119.192   12.204   3.1174   11.238   4.4217   13.159   4.3959  796.944  181.282  870.779  167.299 -73.83539 246.6823 
1 1 1  -14   12   38 o  991.839  113.142   16.225   3.4510   17.339   5.0094   15.219   4.7609  998.417  166.068  932.330  169.316 66.08673 237.1638 
1 1 1  -14   12   40 o  3319.01  143.927  185.740   14.958  174.492   21.165  196.963   21.142  3065.69  221.987  3293.05  206.072 -227.3655 302.8922 
1 1 1  -14   12   42 o  427.697  147.450   2.9641   2.3951   6.2201   3.4116  -0.2004   3.3634  586.030  173.592  355.852  156.398 230.1779 233.6548 
1 1 1  -14   12   44 o  5424.86  237.390  587.993   40.324  532.404   57.029  643.574   57.025  4189.87  441.329  4971.59  368.948 -781.7222 575.2338 
1 1 1  -14   12   46 o  1913.19  116.615   62.485   6.9527   59.491   9.8108   65.505   9.8545  1770.91  179.402  1875.65  169.625 -104.7458 246.8962 
1 1 1  -14   12   48 o  1499.06  116.821   39.821   5.4402   34.288   7.6343   45.528   7.7543  1262.65  199.740  1518.67  165.757 -256.0192 259.5600 
1 1 1  -14   12   50 o  1923.22  124.151   69.843   7.4365   62.717   10.386   77.340   10.652  1581.98  215.264  1836.31  187.906 -254.3318 285.7403 
1 1 1  -14   12   52 o  1810.98  126.414   65.870   7.1235   53.799   9.9287   78.674   10.226  1267.41  258.932  1763.83  188.055 -496.4159 320.0163 
1 1 1  -14   12   54 o  1937.76  144.714   86.820   8.7173   86.714   12.210   86.930   12.450  1412.27  285.918  1367.40  299.094 44.87280 413.7712 
1 1 1  -14   12   56 o  1095.99  157.985   32.096   5.2651   34.481   7.3938   29.642   7.4994  781.455  259.112  640.955  253.057 140.4999 362.1834 
1 1 1  -14   12   58 o  383.243  158.716   6.3667   3.1136   6.5061   4.0037   6.1533   4.9526  347.525  159.898  322.516  156.536 25.00876 223.7650 
1 1 1  -14   13    1 o  1489.93  102.342   35.300   4.7456   39.284   6.7519   31.411   6.6715  1562.20  139.498  1390.64  155.896 171.5636 209.1961 
1 1 1  -14   13    3 o  1863.86   86.873   54.823   5.0701   56.818   6.2436   50.959   8.6877  1891.01  105.869  1774.44  158.014 116.5736 190.2013 
1 1 1  -14   13    5 o  2168.46   89.562   74.246   6.0812   82.206   7.4946   58.905   10.405  2278.13  105.064  1901.04  176.816 377.0865 205.6756 
1 1 1  -14   13    7 o  996.500  151.838   16.266   4.5880   0.0000   0.0000   16.266   4.5880  ?   ?   996.500  151.838 0.000000 151.8382 
1 1 1  -14   13    9 o  512.024  156.876   4.2352   2.7525   0.0000   0.0000   4.2352   2.7525  ?   ?   512.024  156.876 0.000000 156.8756 
1 1 1  -14   13   11 o  1362.28  145.585   30.070   6.1139   0.0000   0.0000   30.070   6.1139  ?   ?   1362.28  145.585 0.000000 145.5845 
1 1 1  -14   13   17 o  891.731  149.795   13.150   4.0343   0.0000   0.0000   13.150   4.0343  ?   ?   891.731  149.795 0.000000 149.7950 
1 1 1  -14   13   19 o  797.901  115.294   10.365   2.7970   8.0919   4.1465   12.262   3.7887  689.057  187.279  860.414  145.836 -171.3573 237.3641 
1 1 1  -14   13   21 o  372.102  132.097   1.9599   1.9312   1.9273   3.2278   1.9780   2.4102  425.623  166.644  392.944  146.345 32.67950 221.7815 
1 1 1  -14   13   23 o  642.208  128.264   6.8809   2.4890   5.5093   3.6932   8.0224   3.3691  575.569  182.549  686.135  159.791 -110.5664 242.6051 
1 1 1  -14   13   25 o  1686.60  106.415   45.782   5.5911   49.261   7.9873   42.439   7.8292  1727.67  149.106  1597.38  158.626 130.2941 217.7038 
1 1 1  -14   13   27 o  1209.31  106.993   23.651   4.0096   24.697   5.8391   22.717   5.5157  1214.44  157.243  1165.11  155.036 49.33289 220.8197 
1 1 1  -14   13   29 o  2948.26  129.531  141.195   11.958  149.100   16.982  133.419   16.841  2971.84  183.385  2799.52  193.306 172.3201 266.4529 
1 1 1  -14   13   31 o  1854.17  109.987   55.445   6.3572   59.481   9.1579   51.691   8.8317  1893.49  155.844  1760.41  162.038 133.0898 224.8193 
1 1 1  -14   13   33 o  2507.58  122.012  101.852   9.5802   96.009   13.611  107.588   13.486  2378.88  184.165  2532.07  171.104 -153.1838 251.3831 
1 1 1  -14   13   35 o  1677.00  107.734   45.509   5.6273   52.654   8.1044   38.858   7.8196  1780.38  146.680  1514.54  167.703 265.8391 222.7990 
1 1 1  -14   13   37 o  2584.73  124.504  109.327   10.077  103.712   14.304  114.859   14.198  2445.39  188.252  2589.47  176.148 -144.0859 257.8115 
1 1 1  -14   13   39 o  1355.82  114.286   30.199   4.8066   29.563   7.0681   30.746   6.5560  1299.58  178.401  1339.44  159.447 -39.85815 239.2699 
1 1 1  -14   13   41 o  3344.75  145.838  188.842   15.274  183.362   21.686  194.236   21.516  3146.40  221.530  3259.76  211.945 -113.3608 306.5881 
1 1 1  -14   13   43 o  3352.93  147.191  192.546   15.453  193.981   21.956  191.136   21.754  3195.16  220.814  3172.81  220.329 22.34521 311.9352 
1 1 1  -14   13   45 o  338.562  142.448   0.7689   2.5675   0.2464   3.8471   1.1886   3.4477  380.433  167.232  388.944  164.432 -8.511230 234.5301 
1 1 1  -14   13   47 o  1288.16  123.753   29.404   4.9302   27.150   7.1489   31.450   6.8083  1124.68  210.741  1260.72  177.368 -136.0438 275.4474 
1 1 1  -14   13   49 o  1533.62  122.287   43.298   5.8236   44.711   8.3724   41.975   8.1057  1412.19  194.497  1367.88  194.745 44.31799 275.2364 
1 1 1  -14   13   51 o  1770.54  131.149   62.042   7.2192   61.915   10.279   62.166   10.141  1503.59  225.259  1524.18  218.765 -20.58887 314.0064 
1 1 1  -14   13   53 o  1945.62  143.087   83.150   8.6560   75.701   12.292   90.479   12.192  1315.47  304.438  1653.75  242.658 -338.2800 389.3140 
1 1 1  -14   13   55 o  549.458  182.939   9.8795   3.6842   17.732   5.3373   2.7331   5.0918  657.700  220.210  340.470  163.626 317.2298 274.3463 
1 1 1  -14   13   57 f  2037.46  214.320  158.803   13.468  142.850   19.014  174.866   19.080  582.031  287.384  783.921  356.249 -201.8899 457.7148 
1 1 1  -14   14    2 o  1037.10  116.663   17.283   3.7228   19.218   5.2544   15.333   5.2753  1082.98  159.744  958.670  182.401 124.3071 242.4629 
1 1 1  -14   14    4 o  1009.30  110.050   16.333   3.4216   17.854   5.1050   15.092   4.6105  1042.59  161.604  957.472  159.384 85.12231 226.9784 
1 1 1  -14   14    6 o  1127.96  108.347   20.343   3.7796   22.096   5.6913   18.959   5.0555  1162.28  160.677  1076.98  154.324 85.30615 222.7843 
1 1 1  -14   14    8 o  1540.61  106.250   37.782   5.0942   37.176   7.3568   38.340   7.0609  1513.39  157.557  1540.21  148.238 -26.81995 216.3295 
1 1 1  -14   14   10 o  984.025  109.965   15.546   3.3303   17.436   4.9241   13.953   4.5212  1030.34  157.641  917.957  163.279 112.3850 226.9596 
1 1 1  -14   14   12 o  399.324  133.740   2.4084   1.9687   2.8661   2.9380   2.0354   2.6522  453.853  162.736  408.131  153.217 45.72287 223.5134 
1 1 1  -14   14   18 o  793.272  160.881   10.565   3.8595   0.0000   0.0000   10.565   3.8595  ?   ?   793.272  160.881 0.000000 160.8813 
1 1 1  -14   14   20 o  1887.69  156.028   58.381   9.1398   0.0000   0.0000   58.381   9.1398  ?   ?   1887.69  156.028 0.000000 156.0277 
1 1 1  -14   14   22 o  1249.49  148.496   25.725   5.6961   0.0000   0.0000   25.725   5.6961  ?   ?   1249.49  148.496 0.000000 148.4957 
1 1 1  -14   14   24 o  1042.12  152.620   18.076   4.8326   0.0000   0.0000   18.076   4.8326  ?   ?   1042.12  152.620 0.000000 152.6196 
1 1 1  -14   14   26 o  2921.38  188.695  143.264   17.169   0.0000   0.0000  143.264   17.169  ?   ?   2921.38  188.695 0.000000 188.6946 
1 1 1  -14   14   28 o  491.904  170.967   3.6880   3.2232   0.0000   0.0000   3.6880   3.2232  ?   ?   491.904  170.967 0.000000 170.9673 
1 1 1  -14   14   30 o  1642.40  155.655   44.547   7.9094   0.0000   0.0000   44.547   7.9094  ?   ?   1642.40  155.655 0.000000 155.6546 
1 1 1  -14   14   32 o  4255.89  166.066  299.683   22.130  304.756   31.333  294.634   31.261  4164.70  241.305  4087.26  245.398 77.43823 344.1627 
1 1 1  -14   14   34 f  2425.66  119.913   95.157   9.1078   98.179   12.995   92.240   12.769  2417.83  172.786  2340.78  175.485 77.05518 246.2723 
1 1 1  -14   14   36 o  345.453  139.389   1.0108   2.3255   1.6088   3.5790   0.5739   3.0594  424.392  172.330  369.054  155.398 55.33762 232.0479 
1 1 1  -14   14   38 o  2435.26  121.604   96.835   9.2728   97.153   13.183   96.525   13.045  2378.83  178.286  2372.77  176.849 6.058350 251.1205 
1 1 1  -14   14   40 o  1772.81  114.553   51.477   6.3250   49.893   8.9936   53.027   8.8969  1700.18  171.267  1760.47  163.253 -60.28552 236.6097 
1 1 1  -14   14   42 o  1425.20  117.422   33.675   5.1935   34.619   7.5148   32.811   7.1857  1399.58  175.323  1365.09  171.922 34.48645 245.5508 
1 1 1  -14   14   44 o  3446.92  154.004  208.375   16.622  195.309   23.589  221.260   23.426  3088.38  245.965  3353.42  224.390 -265.0352 332.9406 
1 1 1  -14   14   46 o  2050.63  122.842   73.217   7.8514   70.824   11.109   75.605   11.098  1890.46  190.261  1970.85  181.882 -80.38953 263.2115 
1 1 1  -14   14   48 o  1351.03  123.561   33.117   5.1692   38.367   7.4710   28.295   7.1597  1358.09  180.129  1112.90  213.222 245.1982 279.1238 
1 1 1  -14   14   50 o  2498.25  144.825  124.936   11.281  118.301   15.956  131.566   15.950  2012.98  259.170  2216.96  233.262 -203.9799 348.6834 
1 1 1  -14   14   52 f  673.256  176.660   11.215   3.7709   13.955   5.4755   8.7426   5.2009  643.902  222.887  507.411  207.084 136.4901 304.2405 
1 1 1  -14   14   54 o  443.875  174.663   6.0728   3.5615   6.0878   4.9844   6.0571   5.0907  412.897  185.369  410.994  185.666 1.902985 262.3618 
1 1 1  -14   14   56 o  424.640  174.413   6.9201   3.7188   9.9651   5.1880   3.7018   5.3335  434.584  192.471  339.605  164.246 94.97986 253.0254 
1 1 1  -14   15    1 o  1616.17  159.272   42.365   7.9554   42.365   7.9554   0.0000   0.0000  1616.17  159.272  ?   ?  0.000000 159.2721 
1 1 1  -14   15    3 o  1169.32  112.542   21.883   4.0698   28.103   5.8306   15.973   5.6832  1318.32  143.567  975.756  192.847 342.5676 240.4192 
1 1 1  -14   15    5 o  1775.96  111.403   50.214   6.1637   52.746   8.7113   47.675   8.7223  1806.46  155.522  1713.56  164.586 92.90601 226.4418 
1 1 1  -14   15    7 o  2824.63  126.882  127.070   11.222  120.952   15.821  133.264   15.920  2723.41  186.656  2864.08  178.407 -140.6704 258.2040 
1 1 1  -14   15    9 o  216.010  104.049  -3.1650   2.0882  -3.6945   3.0668  -2.7073   2.8514  276.243  131.148  280.166  130.962 -3.922546 185.3398 
1 1 1  -14   15   11 o  558.980  185.126   4.8948   3.7746   4.8948   3.7746   0.0000   0.0000  558.980  185.126  ?   ?  0.000000 185.1255 
1 1 1  -14   15   13 o  744.991  184.793   9.3980   4.2899   9.3980   4.2899   0.0000   0.0000  744.991  184.793  ?   ?  0.000000 184.7927 
1 1 1  -14   15   15 o  1149.20  109.173   21.185   3.8813   19.368   5.6756   22.780   5.3197  1078.70  173.949  1181.05  147.032 -102.3428 227.7646 
1 1 1  -14   15   17 o  573.656  139.790   5.5017   2.4880   4.4160   3.8314   6.2933   3.2716  538.928  186.452  611.681  166.396 -72.75281 249.9038 
1 1 1  -14   15   19 o  746.966  125.339   9.1711   2.8278   11.614   4.3628   7.4016   3.7134  828.223  173.772  660.293  176.293 167.9297 247.5394 
1 1 1  -14   15   23 o  883.720  164.864   13.131   4.3942   0.0000   0.0000   13.131   4.3942  ?   ?   883.720  164.864 0.000000 164.8640 
1 1 1  -14   15   25 o  1710.62  157.270   48.001   8.3296   0.0000   0.0000   48.001   8.3296  ?   ?   1710.62  157.270 0.000000 157.2695 
1 1 1  -14   15   27 o  1172.14  160.157   22.760   5.7243   0.0000   0.0000   22.760   5.7243  ?   ?   1172.14  160.157 0.000000 160.1566 
1 1 1  -14   15   29 o  467.753  175.704   2.8238   3.4889   0.0000   0.0000   2.8238   3.4889  ?   ?   467.753  175.704 0.000000 175.7039 
1 1 1  -14   15   31 o  2218.52  168.584   81.446   11.623   0.0000   0.0000   81.446   11.623  ?   ?   2218.52  168.584 0.000000 168.5839 
1 1 1  -14   15   33 o  3609.77  219.208  224.651   24.660   0.0000   0.0000  224.651   24.660  ?   ?   3609.77  219.208 0.000000 219.2077 
1 1 1  -14   15   35 o  3668.12  223.970  235.438   25.601   0.0000   0.0000  235.438   25.601  ?   ?   3668.12  223.970 0.000000 223.9697 
1 1 1  -14   15   37 f  2349.62  175.313   93.585   12.805   0.0000   0.0000   93.585   12.805  ?   ?   2349.62  175.313 0.000000 175.3128 
1 1 1  -14   15   39 o  904.306  182.771   14.403   4.9973   0.0000   0.0000   14.403   4.9973  ?   ?   904.306  182.771 0.000000 182.7712 
1 1 1  -14   15   41 o  3379.54  221.794  209.423   23.340   0.0000   0.0000  209.423   23.340  ?   ?   3379.54  221.794 0.000000 221.7941 
1 1 1  -14   15   43 o  2269.57  183.882   93.420   12.955   0.0000   0.0000   93.420   12.955  ?   ?   2269.57  183.882 0.000000 183.8819 
1 1 1  -14   15   45 o  794.932  211.401   13.196   5.3533   0.0000   0.0000   13.196   5.3533  ?   ?   794.932  211.401 0.000000 211.4008 
1 1 1  -14   15   47 o  2645.88  139.910  128.772   11.550  127.079   16.378  130.446   16.291  2375.89  222.753  2426.61  216.682 -50.71704 310.7572 
1 1 1  -14   15   49 o  422.349  168.786   3.4267   3.3743   0.8105   4.7635   6.0617   4.7806  385.053  176.145  501.939  200.793 -116.8857 267.1042 
1 1 1  -14   15   51 o  1981.15  256.899  119.253   15.561   0.0000   0.0000  119.253   15.561  ?   ?   1981.15  256.899 0.000000 256.8988 
1 1 1  -14   15   53 o  1023.89  249.888   35.690   7.9411   35.690   7.9411   0.0000   0.0000  1023.89  249.888  ?   ?  0.000000 249.8877 
1 1 1  -14   15   55 o  2271.05  173.634  137.570   12.254  128.699   17.278  146.548   17.382  1113.96  395.152  1430.89  381.120 -316.9276 548.9968 
1 1 1  -14   16    2 o  1602.73  165.759   41.819   8.1985   41.819   8.1985   0.0000   0.0000  1602.73  165.759  ?   ?  0.000000 165.7588 
1 1 1  -14   16    6 o  1889.18  165.144   57.947   9.6709   57.947   9.6709   0.0000   0.0000  1889.18  165.144  ?   ?  0.000000 165.1438 
1 1 1  -14   16   10 o  1298.64  113.312   26.992   4.5615   29.094   6.4220   24.852   6.4803  1335.98  156.480  1227.81  173.380 108.1730 233.5524 
1 1 1  -14   16   12 o  730.170  147.173   8.8537   3.2486   11.875   4.4053   5.2514   4.8099  841.597  172.949  593.081  208.693 248.5157 271.0423 
1 1 1  -14   16   14 o  1101.28  119.748   19.547   4.0628   18.545   5.6120   20.650   5.8893  1055.31  176.035  1115.44  174.322 -60.12756 247.7424 
1 1 1  -14   16   16 o  1453.06  159.640   34.532   7.1437   34.532   7.1437   0.0000   0.0000  1453.06  159.640  ?   ?  0.000000 159.6399 
1 1 1  -14   16   18 o  1401.21  107.950   31.401   4.6999   32.055   6.8171   30.808   6.4883  1399.27  158.379  1373.29  153.513 25.97754 220.5678 
1 1 1  -14   16   20 o  2672.33  178.130  117.110   14.820   0.0000   0.0000  117.110   14.820  ?   ?   2672.33  178.130 0.000000 178.1302 
1 1 1  -14   16   22 o  3528.41  210.412  207.262   23.141  207.262   23.141   0.0000   0.0000  3528.41  210.412  ?   ?  0.000000 210.4120 
1 1 1  -14   16   24 o  1728.81  110.327   47.748   5.9412   50.973   8.4144   44.543   8.3900  1770.37  153.303  1649.40  164.650 120.9783 224.9693 
1 1 1  -14   16   26 f  2902.51  129.540  134.992   11.773  127.552   16.658  142.415   16.641  2777.44  192.739  2944.23  181.391 -166.7961 264.6710 
1 1 1  -14   16   28 o  1225.06  115.723   24.163   4.3865   29.617   6.2175   18.758   6.1896  1345.57  150.126  1050.88  195.290 294.6906 246.3248 
1 1 1  -14   16   30 o  2863.18  129.125  131.838   11.576  134.451   16.409  129.249   16.334  2846.98  185.075  2788.54  188.173 58.43896 263.9353 
1 1 1  -14   16   32 o  623.938  192.806   6.5642   4.1476   0.0000   0.0000   6.5642   4.1476  ?   ?   623.938  192.806 0.000000 192.8056 
1 1 1  -14   16   34 o  933.944  186.745   15.040   5.2703   0.0000   0.0000   15.040   5.2703  ?   ?   933.944  186.745 0.000000 186.7452 
1 1 1  -14   16   36 o  1622.66  164.264   44.057   8.2312   0.0000   0.0000   44.057   8.2312  ?   ?   1622.66  164.264 0.000000 164.2635 
1 1 1  -14   16   38 o  2712.65  188.200  125.900   15.887   0.0000   0.0000  125.900   15.887  ?   ?   2712.65  188.200 0.000000 188.1997 
1 1 1  -14   16   40 o  2912.33  198.969  149.422   18.036   0.0000   0.0000  149.422   18.036  ?   ?   2912.33  198.969 0.000000 198.9690 
1 1 1  -14   16   42 o  1736.23  173.921   53.440   9.3282   0.0000   0.0000   53.440   9.3282  ?   ?   1736.23  173.921 0.000000 173.9210 
1 1 1  -14   16   44 o  2366.09  194.901  107.215   14.311   0.0000   0.0000  107.215   14.311  ?   ?   2366.09  194.901 0.000000 194.9013 
1 1 1  -14   16   46 o  960.547  216.099   20.030   6.3423   0.0000   0.0000   20.030   6.3423  ?   ?   960.547  216.099 0.000000 216.0993 
1 1 1  -14   16   48 o  500.983  203.539   5.4815   4.9958   0.0000   0.0000   5.4815   4.9958  ?   ?   500.983  203.539 0.000000 203.5391 
1 1 1  -14   16   50 o  1538.31  216.611   58.629   10.145   0.0000   0.0000   58.629   10.145  ?   ?   1538.31  216.611 0.000000 216.6113 
1 1 1  -14   17    1 o  1343.80  166.452   29.480   6.8540   29.480   6.8540   0.0000   0.0000  1343.80  166.452  ?   ?  0.000000 166.4521 
1 1 1  -14   17    3 o  1568.37  115.052   39.240   5.6107   46.810   7.9521   31.735   7.9176  1703.02  150.678  1387.71  186.971 315.3005 240.1294 
1 1 1  -14   17    5 o  846.142  145.939   11.762   3.7269   9.1638   5.3836   14.154   5.1647  739.237  217.819  919.183  185.831 -179.9459 286.3184 
1 1 1  -14   17    7 o  781.556  206.711   10.351   5.1365   10.351   5.1365   0.0000   0.0000  781.556  206.711  ?   ?  0.000000 206.7108 
1 1 1  -14   17    9 o  1271.40  168.357   26.486   6.5375   26.486   6.5375   0.0000   0.0000  1271.40  168.357  ?   ?  0.000000 168.3566 
1 1 1  -14   17   11 o  1121.37  173.275   20.759   5.8880   20.759   5.8880   0.0000   0.0000  1121.37  173.275  ?   ?  0.000000 173.2749 
1 1 1  -14   17   13 o  575.522  195.814   5.0788   4.2209   5.0788   4.2209   0.0000   0.0000  575.522  195.814  ?   ?  0.000000 195.8137 
1 1 1  -14   17   15 o  1877.17  162.538   57.196   9.4595   57.196   9.4595   0.0000   0.0000  1877.17  162.538  ?   ?  0.000000 162.5380 
1 1 1  -14   17   17 o  2181.43  118.026   75.886   8.0319   77.469   11.267   74.251   11.453  2184.96  165.917  2135.72  172.745 49.23779 239.5189 
1 1 1  -14   17   21 o  2654.68  124.824  112.270   10.376  113.993   14.606  110.513   14.742  2646.62  177.275  2603.08  182.011 43.53369 254.0762 
1 1 1  -14   17   23 o  1409.49  163.783   32.455   7.0937   32.455   7.0937   0.0000   0.0000  1409.49  163.783  ?   ?  0.000000 163.7832 
1 1 1  -14   17   25 o  994.294  130.701   16.052   3.9706   17.682   5.5262   14.314   5.7088  1030.03  177.765  916.724  204.123 113.3088 270.6776 
1 1 1  -14   17   27 f  1230.09  117.751   24.330   4.4800   20.158   6.3542   28.454   6.3174  1094.41  192.449  1318.86  155.998 -224.4514 247.7335 
1 1 1  -14   17   29 o  1764.39  114.488   49.865   6.2910   52.832   8.9216   46.931   8.8722  1797.36  160.201  1688.69  170.106 108.6776 233.6668 
1 1 1  -14   17   31 o  2845.54  188.930  134.520   16.738  134.520   16.738   0.0000   0.0000  2845.54  188.930  ?   ?  0.000000 188.9305 
1 1 1  -14   17   33 o  2882.27  130.504  133.977   11.778  136.569   16.681  131.399   16.633  2861.23  187.219  2803.20  190.625 58.02197 267.1870 
1 1 1  -14   17   35 o  983.077  136.414   15.938   4.0860   21.155   5.9621   11.318   5.6108  1118.21  176.104  800.080  218.018 318.1282 280.2578 
1 1 1  -14   17   37 o  3696.43  151.586  224.937   17.545  237.043   24.868  212.938   24.758  3698.68  215.657  3485.34  228.114 213.3359 313.9175 
1 1 1  -14   17   39 o  326.863  144.856  -0.6774   2.9432  -4.0120   4.1507   2.6945   4.1739  328.035  154.789  477.725  188.733 -149.6893 244.0893 
1 1 1  -14   17   41 o  1930.48  120.598   61.783   7.2534   59.064   10.175   64.592   10.343  1826.70  180.238  1917.99  174.114 -91.28723 250.6019 
1 1 1  -14   17   43 f  1787.11  185.490   59.275   10.229   0.0000   0.0000   59.275   10.229  ?   ?   1787.11  185.490 0.000000 185.4904 
1 1 1  -14   17   45 f  1605.86  190.433   50.633   9.3890   0.0000   0.0000   50.633   9.3890  ?   ?   1605.86  190.433 0.000000 190.4332 
1 1 1  -14   17   47 o  1152.49  216.601   29.385   7.5296   0.0000   0.0000   29.385   7.5296  ?   ?   1152.49  216.601 0.000000 216.6006 
1 1 1  -14   17   49 o  464.100  202.990   4.1523   5.6057   0.0000   0.0000   4.1523   5.6057  ?   ?   464.100  202.990 0.000000 202.9903 
1 1 1  -14   18    2 o  1063.14  128.631   18.200   4.1950   18.766   5.7895   17.573   6.0869  1066.55  179.748  1026.65  196.505 39.89929 266.3146 
1 1 1  -14   18    4 o  1369.64  117.709   29.938   4.9991   25.207   6.9808   34.919   7.1622  1237.76  185.859  1469.42  158.152 -231.6643 244.0403 
1 1 1  -14   18    6 o  1292.47  123.063   26.735   4.9203   20.052   7.0645   33.031   6.8567  1092.59  214.151  1429.27  155.730 -336.6769 264.7877 
1 1 1  -14   18    8 o  610.208  170.206   6.1576   3.3750   4.6511   4.9120   7.5047   4.6451  579.799  210.089  675.497  203.122 -95.69867 292.2260 
1 1 1  -14   18   10 o  534.048  201.001   3.5311   4.5702   3.5311   4.5702   0.0000   0.0000  534.048  201.001  ?   ?  0.000000 201.0015 
1 1 1  -14   18   14 o  616.018  201.454   5.9814   4.4750   5.9814   4.4750   0.0000   0.0000  616.018  201.454  ?   ?  0.000000 201.4541 
1 1 1  -14   18   16 o  2101.63  168.986   71.373   11.027   71.373   11.027   0.0000   0.0000  2101.63  168.986  ?   ?  0.000000 168.9861 
1 1 1  -14   18   20 o  1679.65  163.040   45.684   8.4669   45.684   8.4669   0.0000   0.0000  1679.65  163.040  ?   ?  0.000000 163.0405 
1 1 1  -14   18   22 o  2069.55  166.395   69.330   10.692   69.330   10.692   0.0000   0.0000  2069.55  166.395  ?   ?  0.000000 166.3948 
1 1 1  -14   18   24 o  640.927  202.892   6.6719   4.5638   6.6719   4.5638   0.0000   0.0000  640.927  202.892  ?   ?  0.000000 202.8916 
1 1 1  -14   18   26 o  2409.92  174.610   94.634   13.087   94.634   13.087   0.0000   0.0000  2409.92  174.610  ?   ?  0.000000 174.6096 
1 1 1  -14   18   28 o  1679.51  166.751   46.143   8.6534   46.143   8.6534   0.0000   0.0000  1679.51  166.751  ?   ?  0.000000 166.7509 
1 1 1  -14   18   30 o  4597.88  175.301  345.321   25.238  348.228   35.639  342.397   35.746  4511.24  253.323  4468.36  256.556 42.87158 360.5457 
1 1 1  -14   18   32 o  2533.38  181.284  106.004   14.286  106.004   14.286   0.0000   0.0000  2533.38  181.284  ?   ?  0.000000 181.2842 
1 1 1  -14   18   34 o  1596.63  122.113   41.146   6.0586   43.460   8.3459   38.568   8.8093  1620.71  166.840  1513.98  190.011 106.7242 252.8626 
1 1 1  -14   18   36 o  1578.33  121.432   40.380   5.9553   40.794   8.3262   39.946   8.5214  1559.58  173.436  1539.16  180.223 20.42236 250.1211 
1 1 1  -14   18   38 o  1093.75  196.356   21.039   6.4776   21.039   6.4776   0.0000   0.0000  1093.75  196.356  ?   ?  0.000000 196.3556 
1 1 1  -14   18   40 o  1795.19  122.640   53.334   6.8526   50.491   9.7459   56.114   9.6370  1687.67  187.600  1794.45  173.684 -106.7810 255.6557 
1 1 1  -14   18   42 o  838.123  165.827   12.714   4.1978   11.193   5.6720   14.556   6.2421  745.866  224.492  847.666  229.529 -101.8004 321.0607 
1 1 1  -14   18   44 o  1274.36  138.256   28.581   5.4284   28.770   7.5373   28.378   7.8245  1201.81  207.812  1178.27  220.174 23.53979 302.7581 
1 1 1  -14   18   46 o  615.343  195.087   7.9770   4.2182   6.5313   5.7158   9.7061   6.2511  557.334  220.645  639.293  236.157 -81.95917 323.1941 
1 1 1  -14   18   48 o  387.523  169.478   1.3721   3.9066  -4.2278   5.2450   8.3496   5.8548  339.508  163.868  578.192  224.972 -238.6839 278.3253 
1 1 1  -14   18   50 o  574.794  227.834   9.6581   6.1013   9.6581   6.1013   0.0000   0.0000  574.794  227.834  ?   ?  0.000000 227.8344 
1 1 1  -14   18   52 o  361.123  164.756   1.2318   4.1320   4.4835   5.3790  -3.4492   6.4537  434.871  194.086  349.351  171.502 85.51987 259.0022 
1 1 1  -14   19    1 o  381.058  161.131   0.2231   3.3117   3.3329   4.6870  -2.8773   4.6800  533.984  202.947  384.863  175.492 149.1210 268.2999 
1 1 1  -14   19    3 o  1067.10  201.056   18.887   6.4715   0.0000   0.0000   18.887   6.4715  ?   ?   1067.10  201.056 0.000000 201.0560 
1 1 1  -14   19    5 o  1721.57  117.092   47.064   6.2745   43.443   8.7321   50.929   9.0219  1640.03  172.632  1779.63  163.738 -139.5974 237.9330 
1 1 1  -14   19    7 o  1906.78  118.118   57.707   7.0177   62.149   9.8785   53.182   9.9711  1967.71  161.762  1814.48  177.782 153.2274 240.3611 
1 1 1  -14   19    9 o  1348.87  123.495   29.035   5.1581   26.172   7.3426   31.824   7.2477  1263.03  191.681  1401.88  168.484 -138.8494 255.2027 
1 1 1  -14   19   11 o  469.913  194.709   1.0658   4.6893   1.0658   4.6893   0.0000   0.0000  469.913  194.709  ?   ?  0.000000 194.7088 
1 1 1  -14   19   13 o  856.208  151.869   12.007   3.9225   8.4380   5.6283   15.378   5.4696  720.961  224.899  962.808  188.172 -241.8477 293.2380 
1 1 1  -14   19   15 o  453.889  167.911   2.6079   3.1624   2.7901   4.3761   2.4087   4.5752  505.630  195.120  501.617  197.780 4.012665 277.8289 
1 1 1  -14   19   17 o  2021.81  169.771   65.899   10.648   0.0000   0.0000   65.899   10.648  ?   ?   2021.81  169.771 0.000000 169.7711 
1 1 1  -14   19   19 o  1330.49  122.043   28.288   5.0278   29.573   6.9886   26.909   7.2388  1348.47  169.240  1280.41  185.991 68.06055 251.4657 
1 1 1  -14   19   21 o  857.615  205.917   12.407   5.4599   12.407   5.4599   0.0000   0.0000  857.615  205.917  ?   ?  0.000000 205.9166 
1 1 1  -14   19   23 o  291.111  139.471  -5.0136   3.6363  -5.0136   3.6363   0.0000   0.0000  291.111  139.471  ?   ?  0.000000 139.4710 
1 1 1  -14   19   25 o  2495.39  177.600  101.167   13.787  101.167   13.787   0.0000   0.0000  2495.39  177.600  ?   ?  0.000000 177.5999 
1 1 1  -14   19   27 o  331.932  155.238  -3.7551   4.0151  -3.7551   4.0151   0.0000   0.0000  331.932  155.238  ?   ?  0.000000 155.2380 
1 1 1  -14   19   29 o  1708.66  171.404   47.771   9.0469   47.771   9.0469   0.0000   0.0000  1708.66  171.404  ?   ?  0.000000 171.4045 
1 1 1  -14   19   33 o  2724.83  187.169  122.947   15.873  122.947   15.873   0.0000   0.0000  2724.83  187.169  ?   ?  0.000000 187.1691 
1 1 1  -14   19   35 o  2907.30  134.954  136.823   12.286  135.459   17.105  138.276   17.657  2838.79  193.581  2863.63  198.138 -24.84204 277.0058 
1 1 1  -14   19   37 o  3264.74  213.593  186.003   21.715  186.003   21.715   0.0000   0.0000  3264.74  213.593  ?   ?  0.000000 213.5934 
1 1 1  -14   19   39 o  1671.15  130.639   46.392   6.7817   48.446   9.1123   43.841   10.153  1669.17  177.048  1552.62  214.583 116.5421 278.1938 
1 1 1  -14   19   41 f  1411.52  144.462   34.214   6.2950   45.674   8.4676   20.055   9.4120  1605.20  171.103  947.040  290.078 658.1647 336.7812 
1 1 1  -14   19   43 o  576.261  203.507   6.2924   4.5779   2.9012   5.8709   11.552   7.3118  502.580  213.626  722.773  256.985 -220.1936 334.1814 
1 1 1  -14   19   45 o  664.096  236.364   9.9446   6.1870   9.9446   6.1870   0.0000   0.0000  664.096  236.364  ?   ?  0.000000 236.3640 
1 1 1  -14   19   47 o  1220.91  157.015   28.212   5.8635   19.128   8.1417   38.000   8.4515  834.219  271.676  1337.45  208.616 -503.2278 342.5325 
1 1 1  -14   19   49 o  1185.20  247.375   35.518   8.8838   35.518   8.8838   0.0000   0.0000  1185.20  247.375  ?   ?  0.000000 247.3754 
1 1 1  -14   19   51 o  1505.13  151.141   45.767   7.0270   48.071   9.4301   42.891   10.537  1369.79  227.865  1125.01  295.359 244.7792 373.0405 
1 1 1  -14   20    2 o  1247.38  127.989   24.851   4.9282   23.944   6.9796   25.753   6.9596  1209.80  190.550  1257.82  181.993 -48.02332 263.4976 
1 1 1  -14   20    4 o  929.921  153.025   14.076   4.3008   19.329   5.9868   8.4741   6.1823  1086.31  182.475  731.677  236.625 354.6343 298.8120 
1 1 1  -14   20    6 o  364.929  157.307  -0.2777   3.2664   9.1744   4.3238 -12.8431   4.9853  743.334  186.170  282.082  140.604 461.2518 233.2995 
1 1 1  -14   20    8 o  355.972  156.954  -0.9514   3.4125  -9.4350   4.9341   6.8276   4.7248  309.895  151.680  654.702  206.351 -344.8067 256.1013 
1 1 1  -14   20   10 o  826.747  224.177   11.412   5.9495   11.412   5.9495   0.0000   0.0000  826.747  224.177  ?   ?  0.000000 224.1766 
1 1 1  -14   20   14 o  264.897  131.450  -9.9467   4.1644  -9.9467   4.1644   0.0000   0.0000  264.897  131.450  ?   ?  0.000000 131.4499 
1 1 1  -14   20   18 o  1003.42  143.292   16.315   4.3743   18.101   6.0734   14.389   6.3055  1045.38  192.639  924.057  220.918 121.3218 293.1123 
1 1 1  -14   20   20 o  1199.32  137.759   23.148   5.0794   24.608   7.0618   21.584   7.3115  1222.70  190.670  1136.80  213.235 85.89807 286.0492 
1 1 1  -14   20   22 o  811.350  170.700   10.940   4.1993   11.206   5.8929   10.665   5.9857  815.346  223.953  797.089  228.205 18.25635 319.7378 
1 1 1  -14   20   24 o  1852.64  119.543   54.660   6.8978   56.018   9.7268   53.286   9.7833  1860.29  168.822  1811.95  174.595 48.33362 242.8666 
1 1 1  -14   20   26 o  2236.77  177.258   81.209   12.313   81.209   12.313   0.0000   0.0000  2236.77  177.258  ?   ?  0.000000 177.2577 
1 1 1  -14   20   28 o  2802.49  131.350  125.216   11.526  129.051   16.676  121.708   15.950  2811.61  190.537  2731.83  187.600 79.77808 267.3910 
1 1 1  -14   20   30 o  1108.99  235.254   21.184   7.9161   21.184   7.9161   0.0000   0.0000  1108.99  235.254  ?   ?  0.000000 235.2537 
1 1 1  -14   20   34 o  1707.32  184.966   48.852   9.7303   48.852   9.7303   0.0000   0.0000  1707.32  184.966  ?   ?  0.000000 184.9661 
1 1 1  -14   20   36 o  984.598  231.769   17.624   7.0269   17.624   7.0269   0.0000   0.0000  984.598  231.769  ?   ?  0.000000 231.7692 
1 1 1  -14   20   38 o  2314.95  191.060   93.568   13.726   93.568   13.726   0.0000   0.0000  2314.95  191.060  ?   ?  0.000000 191.0600 
1 1 1  -14   20   40 o  1721.12  185.484   52.828   9.8383   52.828   9.8383   0.0000   0.0000  1721.12  185.484  ?   ?  0.000000 185.4836 
1 1 1  -14   20   42 o  735.536  210.960   10.625   5.1111   18.721   6.5431  -2.0476   8.1861  975.631  219.492  487.890  225.952 487.7404 315.0099 
1 1 1  -14   20   44 o  693.818  243.025   10.551   6.5188   10.551   6.5188   0.0000   0.0000  693.818  243.025  ?   ?  0.000000 243.0246 
1 1 1  -14   20   46 o  908.212  252.383   19.510   7.4353   19.510   7.4353   0.0000   0.0000  908.212  252.383  ?   ?  0.000000 252.3834 
1 1 1  -14   20   48 o  1144.36  242.800   31.119   8.4307   31.119   8.4307   0.0000   0.0000  1144.36  242.800  ?   ?  0.000000 242.7998 
1 1 1  -14   20   50 o  700.390  252.760   15.045   7.0995   15.045   7.0995   0.0000   0.0000  700.390  252.760  ?   ?  0.000000 252.7595 
1 1 1  -14   21    3 o  868.899  166.244   12.386   4.3583   11.056   6.0557   13.816   6.2773  816.609  228.068  909.436  222.307 -92.82648 318.4893 
1 1 1  -14   21    5 o  1131.82  143.307   20.596   4.9650   23.662   7.1166   17.688   6.9303  1202.12  195.804  1030.29  221.414 171.8292 295.5732 
1 1 1  -14   21    7 o  506.302  208.201   1.4301   5.3071   0.0000   0.0000   1.4301   5.3071  ?   ?   506.302  208.201 0.000000 208.2007 
1 1 1  -14   21    9 o  967.247  221.068   15.632   6.5493   15.632   6.5493   0.0000   0.0000  967.247  221.068  ?   ?  0.000000 221.0683 
1 1 1  -14   21   11 o  749.082  187.333   9.3137   4.3826   9.4508   6.3487   9.1890   6.0575  765.067  238.892  753.490  233.033 11.57648 333.7267 
1 1 1  -14   21   13 o  802.778  236.956   10.630   6.3661   10.630   6.3661   0.0000   0.0000  802.778  236.956  ?   ?  0.000000 236.9558 
1 1 1  -14   21   15 o  1007.23  225.125   17.008   6.9216   17.008   6.9216   0.0000   0.0000  1007.23  225.125  ?   ?  0.000000 225.1254 
1 1 1  -14   21   17 o  651.501  194.956   6.9036   4.2868   3.7377   5.8792   10.498   6.2640  584.318  225.972  796.576  235.027 -212.2584 326.0381 
1 1 1  -14   21   19 o  1756.38  179.584   49.880   9.7376   49.880   9.7376   0.0000   0.0000  1756.38  179.584  ?   ?  0.000000 179.5838 
1 1 1  -14   21   23 o  1444.84  191.754   34.172   8.4609   34.172   8.4609   0.0000   0.0000  1444.84  191.754  ?   ?  0.000000 191.7541 
1 1 1  -14   21   25 o  896.773  175.220   13.336   4.7438   7.0542   6.4895   20.544   6.9517  688.861  242.406  1108.94  207.837 -420.0778 319.3067 
1 1 1  -14   21   27 o  1374.63  144.328   30.479   6.1196   28.095   9.0477   32.488   8.3084  1289.91  232.562  1403.81  194.216 -113.8960 302.9934 
1 1 1  -14   21   29 o  2060.84  131.916   68.024   8.4679   71.104   12.439   65.364   11.560  2081.07  193.092  1997.54  186.992 83.53638 268.7947 
1 1 1  -14   21   31 o  547.248  200.029   4.1721   4.4668   5.8475   7.6013   3.2884   5.5206  670.504  257.582  552.099  217.391 118.4048 337.0571 
1 1 1  -14   21   33 o  1332.21  134.298   28.907   5.5258   36.088   8.1398   22.769   7.5255  1468.39  180.856  1145.05  217.853 323.3431 283.1407 
1 1 1  -14   21   35 o  563.399  222.750   3.8371   5.8182   3.8371   5.8182   0.0000   0.0000  563.399  222.750  ?   ?  0.000000 222.7501 
1 1 1  -14   21   37 o  1615.54  188.861   45.315   9.3735   45.315   9.3735   0.0000   0.0000  1615.54  188.861  ?   ?  0.000000 188.8608 
1 1 1  -14   21   39 o  857.857  249.021   14.469   7.0833   14.469   7.0833   0.0000   0.0000  857.857  249.021  ?   ?  0.000000 249.0214 
1 1 1  -14   21   41 o  942.849  239.983   17.798   7.1030   17.798   7.1030   0.0000   0.0000  942.849  239.983  ?   ?  0.000000 239.9826 
1 1 1  -14   21   43 o  867.210  253.284   16.265   7.3079   16.265   7.3079   0.0000   0.0000  867.210  253.284  ?   ?  0.000000 253.2841 
1 1 1  -14   21   45 o  499.979  217.811   2.6644   6.3969   2.6644   6.3969   0.0000   0.0000  499.979  217.811  ?   ?  0.000000 217.8107 
1 1 1  -14   21   47 o  500.609  218.291   3.5606   6.4388   3.5606   6.4388   0.0000   0.0000  500.609  218.291  ?   ?  0.000000 218.2912 
1 1 1  -14   22    2 o  1397.42  196.244   31.736   8.3503   0.0000   0.0000   31.736   8.3503  ?   ?   1397.42  196.244 0.000000 196.2438 
1 1 1  -14   22    4 o  401.917  184.400  -3.6926   5.2735   0.0000   0.0000  -3.6926   5.2735  ?   ?   401.917  184.400 0.000000 184.4001 
1 1 1  -14   22    6 o  343.389  164.449  -6.9865   5.0438   0.0000   0.0000  -6.9865   5.0438  ?   ?   343.389  164.449 0.000000 164.4493 
1 1 1  -14   22    8 o  1992.29  181.731   63.706   11.212   63.706   11.212   0.0000   0.0000  1992.29  181.731  ?   ?  0.000000 181.7312 
1 1 1  -14   22   10 f  655.261  199.230   6.9090   4.4508   11.583   6.2754   2.1783   6.3134  835.464  231.755  562.213  228.658 273.2515 325.5689 
1 1 1  -14   22   12 o  1450.53  138.497   33.581   6.2140   40.944   8.7121   25.956   8.8659  1594.07  177.559  1249.94  235.155 344.1340 294.6611 
1 1 1  -14   22   14 o  492.354  195.083   2.1619   4.4717  -1.3929   6.2702   5.8412   6.3790  486.362  213.654  657.398  239.229 -171.0358 320.7470 
1 1 1  -14   22   16 o  421.388  194.011  -4.3199   5.9075   0.0000   0.0000  -4.3199   5.9075  ?   ?   421.388  194.011 0.000000 194.0111 
1 1 1  -14   22   18 o  1246.43  152.656   25.025   5.8334   26.367   8.3416   23.740   8.1608  1262.55  218.935  1194.46  226.482 68.08862 315.0025 
1 1 1  -14   22   22 o  783.956  202.434   10.265   5.0037   16.878   6.8383   2.6437   7.3411  1002.34  223.568  604.198  246.244 398.1390 332.5942 
1 1 1  -14   22   24 o  877.189  246.976   12.982   7.0716   12.982   7.0716   0.0000   0.0000  877.189  246.976  ?   ?  0.000000 246.9759 
1 1 1  -14   22   26 o  1731.10  189.136   48.917   10.085   48.917   10.085   0.0000   0.0000  1731.10  189.136  ?   ?  0.000000 189.1360 
1 1 1  -14   22   28 o  2766.65  136.736  122.211   11.846  133.034   16.954  111.890   16.557  2854.86  190.761  2609.37  204.270 245.4883 279.4926 
1 1 1  -14   22   30 o  1215.18  247.410   25.715   9.0940   25.715   9.0940   0.0000   0.0000  1215.18  247.410  ?   ?  0.000000 247.4098 
1 1 1  -14   22   32 o  1828.21  141.888   54.368   8.0589   53.746   11.435   54.981   11.359  1779.76  209.181  1803.06  204.833 -23.29285 292.7681 
1 1 1  -14   22   34 o  1086.77  181.481   20.163   5.9579   8.7532   8.5405   30.979   8.3155  737.436  275.315  1338.48  204.931 -601.0477 343.2127 
1 1 1  -14   22   36 o  1981.76  192.221   67.641   11.778   0.0000   0.0000   67.641   11.778  ?   ?   1981.76  192.221 0.000000 192.2207 
1 1 1  -14   22   38 o  709.124  255.481   9.0771   7.2491   9.0771   7.2491   0.0000   0.0000  709.124  255.481  ?   ?  0.000000 255.4808 
1 1 1  -14   22   40 o  688.997  253.096   8.8372   7.1640   8.8372   7.1640   0.0000   0.0000  688.997  253.096  ?   ?  0.000000 253.0962 
1 1 1  -14   22   42 o  620.644  246.036   6.6549   7.1158   6.6549   7.1158   0.0000   0.0000  620.644  246.036  ?   ?  0.000000 246.0356 
1 1 1  -14   22   44 o  594.691  214.165   6.7757   5.0936   13.431   7.1354  -0.1392   7.2735  780.425  254.342  483.776  219.891 296.6484 336.2173 
1 1 1  -14   22   46 o  1159.36  255.742   30.240   9.0348   30.240   9.0348   0.0000   0.0000  1159.36  255.742  ?   ?  0.000000 255.7416 
1 1 1  -14   23    1 o  434.402  186.836  -0.3004   4.5873  -7.9728   7.1356   5.1041   5.9888  428.728  202.499  628.623  231.334 -199.8951 307.4432 
1 1 1  -14   23    3 o  733.484  244.929   8.2219   6.6026   0.0000   0.0000   8.2219   6.6026  ?   ?   733.484  244.929 0.000000 244.9288 
1 1 1  -14   23    5 o  657.317  240.272   5.7035   6.4451   0.0000   0.0000   5.7035   6.4451  ?   ?   657.317  240.272 0.000000 240.2717 
1 1 1  -14   23    9 o  706.456  245.134   7.3034   6.6251   0.0000   0.0000   7.3034   6.6251  ?   ?   706.456  245.134 0.000000 245.1342 
1 1 1  -14   23   11 f  797.541  193.398   10.535   4.7799   9.9732   6.6825   11.123   6.8398  787.615  244.955  824.982  246.120 -37.36768 347.2436 
1 1 1  -14   23   13 o  1531.86  138.469   37.381   6.5700   46.375   9.0715   27.458   9.5282  1700.18  172.801  1285.43  245.680 414.7495 300.3647 
1 1 1  -14   23   15 o  1121.99  234.314   20.974   7.9663   0.0000   0.0000   20.974   7.9663  ?   ?   1121.99  234.314 0.000000 234.3138 
1 1 1  -14   23   17 o  1740.01  199.102   49.013   10.653   0.0000   0.0000   49.013   10.653  ?   ?   1740.01  199.102 0.000000 199.1023 
1 1 1  -14   23   19 o  1726.80  141.188   47.536   7.5673   51.964   10.335   42.418   11.111  1794.41  186.668  1607.42  227.072 186.9921 293.9495 
1 1 1  -14   23   21 o  1734.26  213.729   49.146   11.361   0.0000   0.0000   49.146   11.361  ?   ?   1734.26  213.729 0.000000 213.7287 
1 1 1  -14   23   23 o  1600.23  143.350   41.010   7.1068   44.478   9.8311   37.215   10.285  1652.41  193.681  1498.87  226.182 153.5342 297.7760 
1 1 1  -14   23   25 o  2365.79  189.570   90.908   13.925   90.908   13.925   0.0000   0.0000  2365.79  189.570  ?   ?  0.000000 189.5695 
1 1 1  -14   23   27 o  1693.99  139.871   46.155   7.3528   56.271   10.167   35.062   10.647  1857.51  176.938  1434.51  245.869 422.9996 302.9167 
1 1 1  -14   23   29 o  1106.28  174.305   20.338   5.8381   16.528   7.9911   24.700   8.5499  968.656  258.612  1195.83  236.714 -227.1700 350.5903 
1 1 1  -14   23   31 o  730.905  281.865   7.4671   9.1273   7.4671   9.1273   0.0000   0.0000  730.905  281.865  ?   ?  0.000000 281.8654 
1 1 1  -14   23   33 o  926.243  219.888   15.175   6.2820   23.315   9.6122   9.1058   8.2999  1122.24  275.559  747.267  272.737 374.9775 387.7084 
1 1 1  -14   23   35 o  772.557  294.377   9.9028   9.8775   9.9028   9.8775   0.0000   0.0000  772.557  294.377  ?   ?  0.000000 294.3770 
1 1 1  -14   23   37 o  1050.57  198.311   19.544   6.2844   21.988   8.4221   16.474   9.4397  1078.52  253.645  911.433  292.145 167.0842 386.8910 
1 1 1  -14   23   39 o  579.301  222.687   5.0714   5.6835   5.5567   7.4694   4.4040   8.7592  623.369  250.413  623.999  262.855 -0.6298218 363.0421 
1 1 1  -14   23   41 o  464.639  213.373  -2.3202   7.0831  -2.3202   7.0831   0.0000   0.0000  464.639  213.373  ?   ?  0.000000 213.3732 
1 1 1  -14   23   43 o  450.572  212.858  -4.7326   7.8912   0.0000   0.0000  -4.7326   7.8912  ?   ?   450.572  212.858 0.000000 212.8576 
1 1 1  -14   24    2 o  1042.07  204.446   17.866   6.4327   13.014   10.549   20.738   8.1162  918.918  309.582  1117.58  239.158 -198.6622 391.2002 
1 1 1  -14   24    4 o  747.613  234.301   8.8849   6.1007   7.9040   9.8979   9.4859   7.7473  791.833  296.237  789.409  265.304 2.424011 397.6711 
1 1 1  -14   24    6 o  291.212  143.764 -10.4881   4.7511  -2.8681   7.5228 -15.5441   6.1278  514.297  229.531  314.834  156.760 199.4629 277.9537 
1 1 1  -14   24    8 o  562.342  210.499   3.8241   4.9990   3.2917   7.5949   4.2311   6.6402  631.463  252.915  624.288  240.509 7.174927 349.0136 
1 1 1  -14   24   10 o  1033.66  243.771   17.824   7.7618   0.0000   0.0000   17.824   7.7618  ?   ?   1033.66  243.771 0.000000 243.7714 
1 1 1  -14   24   12 o  1126.70  247.344   21.181   8.4870   0.0000   0.0000   21.181   8.4870  ?   ?   1126.70  247.344 0.000000 247.3437 
1 1 1  -14   24   14 o  949.094  257.875   15.037   7.8632   0.0000   0.0000   15.037   7.8632  ?   ?   949.094  257.875 0.000000 257.8749 
1 1 1  -14   24   16 o  724.603  256.266   7.5363   7.2616   0.0000   0.0000   7.5363   7.2616  ?   ?   724.603  256.266 0.000000 256.2656 
1 1 1  -14   24   18 o  966.015  206.441   15.508   6.0550   19.080   8.4204   11.682   8.7134  1063.76  255.911  857.123  281.146 206.6387 380.1758 
1 1 1  -14   24   20 o  362.135  171.311  -5.8679   5.1430   2.3160   6.9962 -15.4903   7.5862  586.849  239.920  374.687  184.338 212.1624 302.5588 
1 1 1  -14   24   22 o  1614.20  227.059   43.107   11.159   0.0000   0.0000   43.107   11.159  ?   ?   1614.20  227.059 0.000000 227.0587 
1 1 1  -14   24   24 o  988.208  263.405   16.805   8.2987   16.805   8.2987   0.0000   0.0000  988.208  263.405  ?   ?  0.000000 263.4054 
1 1 1  -14   24   26 o  1081.63  199.451   19.619   6.5062   24.622   8.6724   13.178   9.8403  1199.97  239.203  889.354  298.999 310.6206 382.9078 
1 1 1  -14   24   28 o  1156.70  186.935   22.340   6.5397   25.947   8.6885   17.626   9.9330  1228.80  234.364  994.595  296.567 234.2039 377.9926 
1 1 1  -14   24   30 o  1330.86  166.507   29.250   6.7869   35.342   9.1355   21.746   10.139  1445.25  207.850  1092.11  291.172 353.1477 357.7469 
1 1 1  -14   24   32 o  917.026  243.049   15.017   7.0915   9.7538   10.512   19.412   9.6067  795.345  303.537  1024.42  287.663 -229.0742 418.1916 
1 1 1  -14   24   34 o  1085.95  294.388   22.460   10.261   22.460   10.261   0.0000   0.0000  1085.95  294.388  ?   ?  0.000000 294.3884 
1 1 1  -14   24   36 o  946.966  310.661   17.679   10.639   17.679   10.639   0.0000   0.0000  946.966  310.661  ?   ?  0.000000 310.6613 
1 1 1  -14   24   38 o  946.620  295.201   18.047   9.6979   18.047   9.6979   0.0000   0.0000  946.620  295.201  ?   ?  0.000000 295.2013 
1 1 1  -14   24   40 o  840.899  280.679   14.333   8.6707   14.333   8.6707   0.0000   0.0000  840.899  280.679  ?   ?  0.000000 280.6788 
1 1 1  -14   24   42 o  607.251  249.434   5.3703   7.6067   5.3703   7.6067   0.0000   0.0000  607.251  249.434  ?   ?  0.000000 249.4340 
1 1 1  -14   25    1 f  625.736  276.405  -2.7551   10.631  -2.7551   10.631   0.0000   0.0000  625.736  276.405  ?   ?  0.000000 276.4047 
1 1 1  -14   25    3 o  1417.32  169.641   32.262   7.3790   46.078   11.836   23.479   9.4375  1682.48  230.753  1185.96  261.198 496.5272 348.5275 
1 1 1  -14   25    5 o  1160.55  190.293   21.937   6.6754   20.427   10.541   22.948   8.6257  1103.25  298.071  1175.99  242.308 -72.73779 384.1343 
1 1 1  -14   25    7 o  551.885  218.203   2.7494   5.5833   12.385   8.8215  -3.6896   7.2114  881.904  282.389  489.069  220.954 392.8356 358.5591 
1 1 1  -14   25    9 o  834.428  217.958   11.534   5.7571   27.055   8.6787  -0.6633   7.6936  1283.01  224.188  556.971  240.752 726.0397 328.9707 
1 1 1  -14   25   11 o  992.636  201.777   16.261   6.0579   28.728   9.2961   7.0599   7.9865  1319.87  233.476  729.068  267.318 590.8008 354.9228 
1 1 1  -14   25   13 o  736.590  259.884   7.8118   7.4638   0.0000   0.0000   7.8118   7.4638  ?   ?   736.590  259.884 0.000000 259.8835 
1 1 1  -14   25   15 o  362.406  176.357 -11.1445   6.3964   0.0000   0.0000 -11.1445   6.3964  ?   ?   362.406  176.357 0.000000 176.3569 
1 1 1  -14   25   17 o  824.348  244.273   11.215   6.7545   0.0000   0.0000   11.215   6.7545  ?   ?   824.348  244.273 0.000000 244.2731 
1 1 1  -14   25   19 o  947.292  272.142   15.142   8.4992   0.0000   0.0000   15.142   8.4992  ?   ?   947.292  272.142 0.000000 272.1425 
1 1 1  -14   25   21 o  477.741  224.357  -8.2557   8.5361   0.0000   0.0000  -8.2557   8.5361  ?   ?   477.741  224.357 0.000000 224.3565 
1 1 1  -14   25   23 o  738.767  283.859   6.8077   9.2324   0.0000   0.0000   6.8077   9.2324  ?   ?   738.767  283.859 0.000000 283.8587 
1 1 1  -14   25   25 o  1403.90  273.898   34.133   11.608   0.0000   0.0000   34.133   11.608  ?   ?   1403.90  273.898 0.000000 273.8979 
1 1 1  -14   25   27 o  598.589  231.588   4.2369   6.1771   15.509   8.0905 -11.5187   9.5649  942.263  263.774  476.604  227.764 465.6594 348.5015 
1 1 1  -14   25   29 o  760.960  240.269   9.7943   6.4034   12.169   8.4651   6.6180   9.7903  843.630  277.130  732.926  289.211 110.7043 400.5547 
1 1 1  -14   25   31 o  598.362  234.693   4.2184   6.4109   7.0408   8.1663  -0.3147   10.349  705.089  267.905  623.770  274.243 81.31873 383.3833 
1 1 1  -14   25   33 o  679.029  250.336   7.0309   7.0176   20.579   9.9956  -6.1377   9.8547  1049.46  292.980  531.112  246.650 518.3465 382.9804 
1 1 1  -14   25   35 o  443.823  208.160  -5.9342   7.3081  -9.4925   10.572  -2.6775   10.114  514.079  243.896  574.272  260.355 -60.19330 356.7489 
1 1 1  -14   25   37 o  752.500  264.945   10.037   7.7535   13.984   11.389   6.6281   10.585  862.225  318.714  714.498  293.953 147.7271 433.5746 
1 1 1  -14   25   39 o  534.092  234.477   0.5224   7.5417   0.5716   10.716   0.4741   10.616  613.402  273.842  609.948  272.409 3.453491 386.2594 
1 1 1  -14   26    2 o  441.689  215.850 -18.1859   9.8761 -18.1859   9.8761   0.0000   0.0000  441.689  215.850  ?   ?  0.000000 215.8501 
1 1 1  -14   26    4 o  551.661  248.829  -4.3220   9.1027  -4.3220   9.1027   0.0000   0.0000  551.661  248.829  ?   ?  0.000000 248.8287 
1 1 1  -14   26    6 o  742.602  284.550   6.3785   9.2615   6.3785   9.2615   0.0000   0.0000  742.602  284.550  ?   ?  0.000000 284.5497 
1 1 1  -14   26    8 o  567.134  249.428  -1.9124   8.5676  -1.9124   8.5676   0.0000   0.0000  567.134  249.428  ?   ?  0.000000 249.4276 
1 1 1  -14   26   10 o  660.041  232.497   6.2242   5.9713   6.8697   9.4464   5.7946   7.7063  756.484  287.970  690.385  260.747 66.10004 388.4786 
1 1 1  -14   26   12 o  956.055  265.497   15.306   8.2310   0.0000   0.0000   15.306   8.2310  ?   ?   956.055  265.497 0.000000 265.4966 
1 1 1  -14   26   14 o  825.684  233.697   11.311   6.3144   18.299   9.2358   5.1775   8.6525  1039.86  278.201  698.743  273.044 341.1182 389.8062 
1 1 1  -14   26   16 o  608.986  251.676   2.0934   7.8053   2.0934   7.8053   0.0000   0.0000  608.986  251.676  ?   ?  0.000000 251.6765 
1 1 1  -14   26   18 o  626.418  263.499   1.4532   8.7819   1.4532   8.7819   0.0000   0.0000  626.418  263.499  ?   ?  0.000000 263.4987 
1 1 1  -14   26   20 f  575.246  216.384   4.0980   5.2950   8.1351   8.8769   1.8681   6.5972  764.957  281.622  561.653  231.684 203.3042 364.6755 
1 1 1  -14   26   22 o  885.382  271.466   13.186   8.2405   0.0000   0.0000   13.186   8.2405  ?   ?   885.382  271.466 0.000000 271.4656 
1 1 1  -14   26   24 o  587.672  251.639   0.5069   8.2554   0.0000   0.0000   0.5069   8.2554  ?   ?   587.672  251.639 0.000000 251.6388 
1 1 1  -14   26   26 o  979.038  306.157   16.701   10.423   0.0000   0.0000   16.701   10.423  ?   ?   979.038  306.157 0.000000 306.1574 
1 1 1  -14   26   28 o  415.804  205.786 -21.2753   9.9547   0.0000   0.0000 -21.2753   9.9547  ?   ?   415.804  205.786 0.000000 205.7861 
1 1 1  -14   26   30 o  781.254  301.991   8.4595   10.496   0.0000   0.0000   8.4595   10.496  ?   ?   781.254  301.991 0.000000 301.9910 
1 1 1  -14   26   32 o  378.518  182.818  -9.5061   6.5543  -8.9973   8.2993 -10.3493   10.685  451.544  214.774  517.803  245.526 -66.25919 326.2069 
1 1 1  -14   26   34 f  451.222  217.652 -12.1573   9.2174 -12.1573   9.2174   0.0000   0.0000  451.222  217.652  ?   ?  0.000000 217.6519 
1 1 1  -14   26   36 o  936.917  333.905   16.809   12.351   16.809   12.351   0.0000   0.0000  936.917  333.905  ?   ?  0.000000 333.9047 
1 1 1  -14   26   38 o  1009.82  273.092   19.593   8.8430   11.486   12.672   27.288   12.346  820.347  327.338  1151.02  327.130 -330.6730 462.7787 
1 1 1  -14   27    1 o  1162.10  222.560   22.351   7.8037   20.299   12.148   23.792   10.182  1099.12  328.027  1186.99  278.719 -87.86951 430.4482 
1 1 1  -14   27    3 o  742.594  248.655   8.4526   6.8053  -1.0162   11.168   14.044   8.5826  664.505  288.647  922.639  275.799 -258.1339 399.2273 
1 1 1  -14   27    5 o  646.862  279.343  -0.5060   10.338  -0.5060   10.338   0.0000   0.0000  646.862  279.343  ?   ?  0.000000 279.3431 
1 1 1  -14   27    7 o  809.469  303.547   8.4100   10.404   8.4100   10.404   0.0000   0.0000  809.469  303.547  ?   ?  0.000000 303.5473 
1 1 1  -14   27    9 o  1276.79  287.660   27.608   11.225   27.608   11.225   0.0000   0.0000  1276.79  287.660  ?   ?  0.000000 287.6597 
1 1 1  -14   27   13 o  436.986  208.670 -10.3481   7.9962 -10.3481   7.9962   0.0000   0.0000  436.986  208.670  ?   ?  0.000000 208.6699 
1 1 1  -14   27   15 o  880.195  237.940   12.979   6.7146   4.6009   9.9601   19.958   9.0911  719.573  289.127  1084.32  269.040 -364.7501 394.9392 
1 1 1  -14   27   17 o  388.497  182.331  -5.6424   5.6228   0.0000   0.0000  -5.6424   5.6228  ?   ?   388.497  182.331 0.000000 182.3315 
1 1 1  -14   27   19 o  1020.06  203.098   17.324   6.2591   27.716   10.298   11.236   7.8820  1276.96  266.177  831.391  267.003 445.5714 377.0162 
1 1 1  -14   27   21 f  569.076  230.543   2.5290   6.3893   0.0000   0.0000   2.5290   6.3893  ?   ?   569.076  230.543 0.000000 230.5427 
1 1 1  -14   27   23 o  1061.74  249.162   19.290   8.1412   0.0000   0.0000   19.290   8.1412  ?   ?   1061.74  249.162 0.000000 249.1622 
1 1 1  -14   27   25 o  887.440  219.047   13.389   6.0500   4.4594   9.3516   19.817   7.9340  691.557  279.350  1075.74  241.466 -384.1844 369.2456 
1 1 1  -14   27   27 o  949.839  222.313   15.426   6.4950   30.526   9.3353   1.2595   9.0423  1342.50  230.371  622.231  264.816 720.2654 350.9962 
1 1 1  -14   27   29 o  701.142  282.728   5.0464   9.5611   0.0000   0.0000   5.0464   9.5611  ?   ?   701.142  282.728 0.000000 282.7282 
1 1 1  -14   27   31 o  965.401  316.371   16.635   11.035   0.0000   0.0000   16.635   11.035  ?   ?   965.401  316.371 0.000000 316.3711 
1 1 1  -14   27   33 o  637.327  284.999  -1.8178   11.659   0.0000   0.0000  -1.8178   11.659  ?   ?   637.327  284.999 0.000000 284.9994 
1 1 1  -14   27   35 o  425.224  212.286 -27.2111   11.552   0.0000   0.0000 -27.2111   11.552  ?   ?   425.224  212.286 0.000000 212.2858 
1 1 1  -14   28    4 o  589.571  270.902  -7.6706   11.440  -7.6706   11.440   0.0000   0.0000  589.571  270.902  ?   ?  0.000000 270.9018 
1 1 1  -14   28    6 o  428.250  201.307  -7.1238   6.9002 -11.2047   11.087  -4.5436   8.8157  541.529  254.753  537.574  243.452 3.954712 352.3754 
1 1 1  -14   28    8 f  562.444  233.066   1.5247   6.7195   10.833   9.8724  -6.5098   9.1719  853.739  299.071  525.251  241.798 328.4875 384.5898 
1 1 1  -14   28   14 o  462.267  223.058 -14.5750   9.7022 -14.5750   9.7022   0.0000   0.0000  462.267  223.058  ?   ?  0.000000 223.0582 
1 1 1  -14   28   16 o  865.492  309.027   11.045   10.584   11.045   10.584   0.0000   0.0000  865.492  309.027  ?   ?  0.000000 309.0275 
1 1 1  -14   28   18 o  743.068  294.175   5.6503   10.160   5.6503   10.160   0.0000   0.0000  743.068  294.175  ?   ?  0.000000 294.1752 
1 1 1  -14   28   20 o  635.233  273.735   0.0007   9.8844   0.0007   9.8844   0.0000   0.0000  635.233  273.735  ?   ?  0.000000 273.7350 
1 1 1  -14   28   22 f  589.499  225.978   4.0353   5.8426   1.4820   9.5314   5.5723   7.3949  647.258  273.507  670.998  254.942 -23.73975 373.9002 
1 1 1  -14   28   24 o  1012.86  214.410   17.275   6.5881   30.032   10.834   9.7888   8.2989  1322.93  270.655  793.247  274.409 529.6873 385.4278 
1 1 1  -14   28   26 o  319.322  156.666 -10.4569   5.3602  -8.9723   8.8217 -11.3257   6.7488  478.203  225.651  373.281  181.533 104.9220 289.6076 
1 1 1  -14   28   28 o  623.445  238.274   4.8171   6.4836   3.6996   10.204   5.5739   8.3965  695.864  287.684  688.521  268.995 7.342346 393.8533 
1 1 1  -14   28   30 o  489.882  215.250  -1.0012   6.3674   25.072   9.8894 -19.4637   8.3218  1192.77  270.954  370.853  184.333 821.9192 327.7110 
1 1 1  -14   29    1 o  631.592  270.765   0.0001   9.5783   0.0000   0.0000   0.0001   9.5783  ?   ?   631.592  270.765 0.000000 270.7650 
1 1 1  -14   29    5 o  622.304  286.992  -9.2163   13.003  -9.2163   13.003   0.0000   0.0000  622.304  286.992  ?   ?  0.000000 286.9918 
1 1 1  -14   29    7 o  710.772  260.463   6.7216   7.5806 -10.7015   11.822   18.888   9.8789  570.747  266.749  1059.36  289.547 -488.6171 393.6911 
1 1 1  -14   29    9 o  1456.49  261.374   35.286   11.482   0.0000   0.0000   35.286   11.482  ?   ?   1456.49  261.374 0.000000 261.3739 
1 1 1  -14   29   11 o  461.321  211.087  -4.4619   6.8468 -18.2748   11.460   3.2054   8.5381  494.059  239.399  656.071  266.254 -162.0120 358.0546 
1 1 1  -14   29   13 o  819.390  295.668   9.5085   9.7141   0.0000   0.0000   9.5085   9.7141  ?   ?   819.390  295.668 0.000000 295.6678 
1 1 1  -14   29   15 o  621.656  270.860  -1.1464   9.8959  -1.1464   9.8959   0.0000   0.0000  621.656  270.860  ?   ?  0.000000 270.8604 
1 1 1  -14   29   17 o  443.677  203.654  -4.4217   6.4424   5.0077   10.600  -9.9458   8.1130  743.574  298.444  445.412  211.999 298.1620 366.0763 
1 1 1  -14   29   19 o  674.278  262.568   4.9436   7.9800   0.0000   0.0000   4.9436   7.9800  ?   ?   674.278  262.568 0.000000 262.5679 
1 1 1  -14   29   21 o  679.143  293.783  -0.1951   11.474  -0.1951   11.474   0.0000   0.0000  679.143  293.783  ?   ?  0.000000 293.7827 
1 1 1  -14   29   23 o  1095.68  309.613   20.794   11.092   20.794   11.092   0.0000   0.0000  1095.68  309.613  ?   ?  0.000000 309.6132 
1 1 1  -14   29   25 o  519.981  245.272 -10.4455   10.405 -10.4455   10.405   0.0000   0.0000  519.981  245.272  ?   ?  0.000000 245.2724 
1 1 1  -14   29   27 o  532.136  246.078  -6.7496   9.6566  -6.7496   9.6566   0.0000   0.0000  532.136  246.078  ?   ?  0.000000 246.0782 
1 1 1  -14   30    2 o  786.860  341.050  -0.8028   15.524  -0.8028   15.524   0.0000   0.0000  786.860  341.050  ?   ?  0.000000 341.0497 
1 1 1  -14   30    4 o  568.812  259.779  -6.3048   10.306   0.0000   0.0000  -6.3048   10.306  ?   ?   568.812  259.779 0.000000 259.7787 
1 1 1  -14   30    6 o  1091.31  254.844   19.929   8.5506   19.851   14.574   19.970   10.559  1107.25  363.626  1089.85  299.953 17.40332 471.3765 
1 1 1  -14   30    8 o  958.334  337.440   13.691   12.577   13.691   12.577   0.0000   0.0000  958.334  337.440  ?   ?  0.000000 337.4404 
1 1 1  -14   30   10 o  1073.00  259.920   19.318   8.6405   15.313   13.439   22.141   11.281  1001.97  349.050  1143.89  308.081 -141.9240 465.5640 
1 1 1  -14   30   12 o  428.557  204.528  -9.9339   7.6590   2.5954   11.944 -18.6826   9.9810  740.702  309.147  441.522  216.027 299.1802 377.1466 
1 1 1  -14   30   14 f  907.405  311.961   12.624   10.718   0.0000   0.0000   12.624   10.718  ?   ?   907.405  311.961 0.000000 311.9613 
1 1 1  -14   30   16 o  656.464  259.053   4.1966   7.8554   17.469   11.835  -6.2545   10.502  1029.13  326.828  573.932  262.165 455.1969 418.9838 
1 1 1  -14   30   18 o  739.268  265.319   7.7359   7.8111   4.1015   11.721   10.639   10.476  756.022  309.981  856.192  307.269 -100.1699 436.4658 
1 1 1  -14   30   20 o  672.108  259.379   5.1174   7.7334  -9.3223   12.804   13.411   9.7035  611.259  282.909  910.044  296.601 -298.7846 409.8895 
1 1 1  -14   30   22 o  499.372  230.853  -6.3487   8.4884   0.0000   0.0000  -6.3487   8.4884  ?   ?   499.372  230.853 0.000000 230.8526 
1 1 1  -14   31    1 o  1107.20  374.405   19.353   15.430   19.353   15.430   0.0000   0.0000  1107.20  374.405  ?   ?  0.000000 374.4053 
1 1 1  -14   31    3 o  568.418  260.937  -7.1878   10.580   0.0000   0.0000  -7.1878   10.580  ?   ?   568.418  260.937 0.000000 260.9371 
1 1 1  -14   31    5 o  716.750  301.957   1.5586   11.561   0.0000   0.0000   1.5586   11.561  ?   ?   716.750  301.957 0.000000 301.9566 
1 1 1  -14   31    7 o  535.650  238.232  -2.7354   8.0296  -6.7117   13.402  -0.5086   10.029  661.978  299.946  639.128  275.572 22.84967 407.3173 
1 1 1  -14   31    9 f  680.698  265.062   4.8261   8.1321   1.2595   13.228   6.9930   10.311  756.266  321.034  780.795  299.985 -24.52881 439.3787 
1 1 1  -14   31   11 f  1206.32  346.964   24.652   13.808   24.652   13.808   0.0000   0.0000  1206.32  346.964  ?   ?  0.000000 346.9642 
1 1 1  -14   31   13 o  971.764  264.105   15.778   8.2464   4.8720   12.000   25.539   11.352  779.958  315.954  1228.11  298.184 -448.1514 434.4429 
1 1 1  -14   31   15 o  644.618  281.309  -1.4444   10.712   0.0000   0.0000  -1.4444   10.712  ?   ?   644.618  281.309 0.000000 281.3092 
1 1 1  -13    0    1 o  958.735   97.878   14.874   2.8681   14.874   2.8681   14.874   2.8681  958.735   97.878  958.735   97.878 -0.000000 0.000000 
1 1 1  -13    0    3 o  1996.92  106.710   63.162   6.6289   63.162   6.6289   63.162   6.6289  1996.92  106.710  1996.92  106.710 -0.000000 0.000000 
1 1 1  -13    0    5 o  3947.80  151.492  246.626   18.664  246.626   18.664  246.626   18.664  3947.80  151.492  3947.80  151.492 -0.000000 0.000000 
1 1 1  -13    0    7 o  1985.79  107.287   62.476   6.6266   62.476   6.6266   62.476   6.6266  1985.79  107.287  1985.79  107.287 -0.000000 0.000000 
1 1 1  -13    0    9 o  983.240  150.670   16.252   4.3151   16.252   4.3151   16.252   4.3151  983.240  150.670  983.240  150.670 -0.000000 0.000000 
1 1 1  -13    0   11 o  285.341  152.672   1.8355   1.8664   1.8355   1.8664   1.8355   1.8664  285.341  152.672  285.341  152.672 -0.000000 0.000000 
1 1 1  -13    0   13 o  329.767  159.212   2.5207   1.9111   2.5207   1.9111   2.5207   1.9111  329.767  159.212  329.767  159.212 -0.000000 0.000000 
1 1 1  -13    0   15 o  2454.93  167.158   96.499   12.713   96.499   12.713   96.499   12.713  2454.93  167.158  2454.93  167.158 -0.000000 0.000000 
1 1 1  -13    0   17 o  807.951  165.719   11.493   3.7051   11.493   3.7051   11.493   3.7051  807.951  165.719  807.951  165.719 -0.000000 0.000000 
1 1 1  -13    0   19 o  223.813  122.177   1.1044   1.2178   1.1044   1.2178   1.1044   1.2178  223.813  122.177  223.813  122.177 -0.000000 0.000000 
1 1 1  -13    0   21 o  241.244  129.765   1.3053   1.3551   1.3053   1.3551   1.3053   1.3551  241.244  129.765  241.244  129.765 -0.000000 0.000000 
1 1 1  -13    0   23 o  3630.21  144.160  209.435   16.328  209.435   16.328  209.435   16.328  3630.21  144.160  3630.21  144.160 -0.000000 0.000000 
1 1 1  -13    0   25 o  1721.66  104.984   47.235   5.6114   47.235   5.6114   47.235   5.6114  1721.66  104.984  1721.66  104.984 -0.000000 0.000000 
1 1 1  -13    0   27 o  2602.73  120.809  107.873   9.7974  107.873   9.7974  107.873   9.7974  2602.73  120.809  2602.73  120.809 -0.000000 0.000000 
1 1 1  -13    0   29 o  415.751  148.455   3.6129   1.7639   3.6129   1.7639   3.6129   1.7639  415.751  148.455  415.751  148.455 -0.000000 0.000000 
1 1 1  -13    0   31 o  2581.55  173.855  108.368   13.907  108.368   13.907  108.368   13.907  2581.55  173.855  2581.55  173.855 -0.000000 0.000000 
1 1 1  -13    0   33 o  1353.99  102.855   29.469   4.3029   29.469   4.3029   29.469   4.3029  1353.99  102.855  1353.99  102.855 -0.000000 0.000000 
1 1 1  -13    0   35 o  3255.39  136.668  170.011   13.875  170.011   13.875  170.011   13.875  3255.39  136.668  3255.39  136.668 -0.000000 0.000000 
1 1 1  -13    0   37 o  1675.43  155.846   46.217   8.0133   46.217   8.0133   46.217   8.0133  1675.43  155.846  1675.43  155.846 -0.000000 0.000000 
1 1 1  -13    0   39 o  122.908   87.542  -2.0951   1.4768  -2.0951   1.4768  -2.0951   1.4768  122.908   87.542  122.908   87.542 -0.000000 0.000000 
1 1 1  -13    0   41 o  1769.53  108.786   50.091   5.9755   50.091   5.9755   50.091   5.9755  1769.53  108.786  1769.53  108.786 -0.000000 0.000000 
1 1 1  -13    0   43 o  1817.04  110.228   52.795   6.2186   52.795   6.2186   52.795   6.2186  1817.04  110.228  1817.04  110.228 -0.000000 0.000000 
1 1 1  -13    0   45 o  1361.24  111.385   29.900   4.6745   29.900   4.6745   29.900   4.6745  1361.24  111.385  1361.24  111.385 -0.000000 0.000000 
1 1 1  -13    0   47 o  900.820  198.311   14.751   4.8944   14.751   4.8944   14.751   4.8944  900.820  198.311  900.820  198.311 -0.000000 0.000000 
1 1 1  -13    0   49 o  336.759  195.774   2.2953   3.3949   2.2953   3.3949   2.2953   3.3949  336.759  195.774  336.759  195.774 -0.000000 0.000000 
1 1 1  -13    0   51 o  5131.40  279.860  447.655   44.661  447.655   44.661  447.655   44.661  5131.40  279.860  5131.40  279.860 -0.000000 0.000000 
1 1 1  -13    0   53 o  1391.05  166.276   32.557   6.9690   32.557   6.9690   32.557   6.9690  1391.05  166.276  1391.05  166.276 -0.000000 0.000000 
1 1 1  -13    0   55 o  284.665  179.469   0.8266   3.3889   0.8266   3.3889   0.8266   3.3889  284.665  179.469  284.665  179.469 -0.000000 0.000000 
1 1 1  -13    0   57 o  912.652  223.404   16.103   5.5298   16.103   5.5298   16.103   5.5298  912.652  223.404  912.652  223.404 -0.000000 0.000000 
1 1 1  -13    0   59 o  2791.30  191.916  133.256   16.592  133.256   16.592  133.256   16.592  2791.30  191.916  2791.30  191.916 -0.000000 0.000000 
1 1 1  -13    0   61 o  518.420  245.262   6.9423   4.5118   6.9423   4.5118   6.9423   4.5118  518.420  245.262  518.420  245.262 -0.000000 0.000000 
1 1 1  -13    1    2 o  2969.57   89.054  138.688   8.2807  136.285   11.708  141.094   11.714  2936.83  127.314  2988.66  125.169 -51.82910 178.5387 
1 1 1  -13    1    4 o  2075.30   75.394   67.645   4.8993   64.135   6.9210   71.170   6.9364  2014.16  110.156  2125.60  104.217 -111.4463 151.6421 
1 1 1  -13    1    6 f  1942.25   74.241   59.247   4.5151   60.807   6.3932   57.694   6.3774  1961.91  104.445  1910.46  107.038 51.44604 149.5527 
1 1 1  -13    1    8 f  1874.34  105.324   55.538   6.1564   53.522   8.7071   57.554   8.7060  1829.97  153.368  1899.52  147.529 -69.54529 212.8061 
1 1 1  -13    1   10 o  4134.77  156.713  271.826   20.290  278.985   28.693  264.666   28.695  4151.94  221.503  4039.93  227.764 112.0032 317.7108 
1 1 1  -13    1   12 o  2172.77  110.524   74.714   7.4947   71.840   10.581   77.608   10.617  2117.79  160.763  2203.36  154.873 -85.57666 223.2276 
1 1 1  -13    1   14 o  238.483   95.564   0.4250   1.0849  -0.7551   1.7117   1.2175   1.4026  243.662  109.063  307.776  112.151 -64.11362 156.4373 
1 1 1  -13    1   16 o  1553.43   82.486   38.085   3.9979   38.482   4.8880   37.283   6.9484  1558.49  100.702  1523.63  147.488 34.86475 178.5874 
1 1 1  -13    1   18 o  772.958   81.468   9.5101   1.9421   8.8894   2.3560   10.826   3.4305  743.025  104.123  813.834  139.647 -70.80939 174.1927 
1 1 1  -13    1   20 o  1755.55   73.049   48.511   4.0156   48.652   5.6695   48.369   5.6883  1750.35  103.909  1745.08  104.582 5.268066 147.4261 
1 1 1  -13    1   22 o  1240.67   69.851   24.321   2.7026   25.945   3.8357   22.720   3.8085  1276.38   96.690  1192.53  103.002 83.84863 141.2739 
1 1 1  -13    1   24 o  2015.41   88.567   64.411   5.5892   66.286   6.8450   60.660   9.6820  2035.66  107.771  1921.30  162.458 114.3595 194.9542 
1 1 1  -13    1   26 o  1723.87   73.148   47.057   3.9484   46.229   5.5867   47.884   5.5811  1695.17  105.779  1726.22  103.735 -31.05090 148.1556 
1 1 1  -13    1   28 f  1218.42   70.527   23.623   2.6792   21.456   3.7581   25.863   3.8206  1149.43  105.598  1266.16   97.105 -116.7267 143.4590 
1 1 1  -13    1   30 o  4234.94  134.925  296.220   17.892  292.056   30.992  298.302   21.912  3953.96  251.628  4192.25  166.926 -238.2896 301.9617 
1 1 1  -13    1   32 o  2794.69  103.181  126.860   9.0292  121.131   11.060  138.310   15.636  2701.48  130.744  2815.13  178.300 -113.6563 221.0989 
1 1 1  -13    1   34 o  4571.54  124.337  348.935   17.798  354.497   25.174  343.378   25.167  4457.03  180.383  4376.81  183.637 80.21924 257.4115 
1 1 1  -13    1   36 o  4430.47  123.549  332.268   17.140  333.761   24.243  330.775   24.236  4257.91  181.835  4235.69  182.732 22.22168 257.7879 
1 1 1  -13    1   38 o  3359.24  100.375  187.031   10.558  181.852   14.926  192.218   14.937  3208.27  148.578  3309.56  144.136 -101.2896 207.0036 
1 1 1  -13    1   40 o  4933.94  135.916  421.389   20.998  414.310   29.686  428.477   29.705  4617.74  205.311  4714.00  201.247 -96.26270 287.4937 
1 1 1  -13    1   42 o  1672.67   77.260   45.347   4.0465   45.014   5.6935   45.686   5.7522  1633.23  112.008  1645.06  112.341 -11.83264 158.6393 
1 1 1  -13    1   44 o  1394.68   87.043   32.100   3.7823   33.347   4.6650   29.707   6.4615  1403.58  106.949  1258.73  168.142 144.8440 199.2735 
1 1 1  -13    1   46 o  5150.73  183.797  525.432   29.643  538.853   36.321  498.658   51.299  4884.96  237.454  3244.67  522.670 1640.286 574.0803 
1 1 1  -13    1   48 o  905.197  103.627   14.193   2.8843   12.269   3.5950   17.669   4.8318  802.633  148.513  941.582  170.146 -138.9487 225.8449 
1 1 1  -13    1   50 o  1966.73  123.230   70.560   7.5506   62.323   10.702   78.724   10.654  1637.72  213.803  1937.81  177.558 -300.0839 277.9184 
1 1 1  -13    1   52 o  1515.59  122.144   43.962   5.7473   42.816   8.1770   45.081   8.0799  1299.32  207.999  1364.33  194.652 -65.00317 284.8732 
1 1 1  -13    1   54 o  1387.95  131.579   41.937   5.6502   41.368   7.9788   42.510   8.0023  1063.58  244.674  1092.74  240.403 -29.15979 343.0143 
1 1 1  -13    1   56 o  2627.61  152.806  190.126   12.518  197.662   15.344  175.128   21.647  2176.27  228.580  545.845  274.943 1630.427 357.5510 
1 1 1  -13    1   58 o  1471.78  195.250   88.625   8.7760   66.827   12.360  110.786   12.463  408.125  205.842  758.490  316.111 -350.3648 377.2227 
1 1 1  -13    1   60 o  372.332  184.189   39.955   7.9417   0.0000   0.0000   39.955   7.9417  ?   ?   372.332  184.189 0.000000 184.1886 
1 1 1  -13    2    1 o  1564.01   70.130   38.408   3.4345   37.503   4.8603   39.311   4.8538  1539.78  101.373  1576.99   98.795 -37.21460 141.5522 
1 1 1  -13    2    3 o  1872.75   84.778   55.137   4.9714   54.570   6.0879   56.274   8.6131  1858.12  105.065  1878.50  147.619 -20.37781 181.1902 
1 1 1  -13    2    5 f  3205.89  107.406  161.983   10.782  168.860   13.207  148.243   18.669  3268.44  129.048  3037.14  197.378 231.3030 235.8204 
1 1 1  -13    2    7 o  2127.43  108.471   71.537   7.2018   65.546   10.151   77.608   10.219  2024.32  161.489  2207.15  148.730 -182.8295 219.5438 
1 1 1  -13    2    9 f  2133.09  109.373   71.951   7.2807   69.941   10.278   73.974   10.315  2091.73  158.097  2152.60  154.047 -60.87207 220.7381 
1 1 1  -13    2   11 o  3634.54  143.550  209.640   16.337  214.689   23.101  204.588   23.107  3648.41  203.017  3558.57  208.278 89.84229 290.8535 
1 1 1  -13    2   13 o  1840.61  104.177   53.609   5.9795   49.409   8.4170   57.889   8.4961  1755.40  154.713  1904.07  143.557 -148.6691 211.0568 
1 1 1  -13    2   15 o  1972.09   87.177   61.234   5.3833   60.791   6.5885   62.123   9.3372  1959.14  107.815  1969.35  152.610 -10.21606 186.8524 
1 1 1  -13    2   17 o  2790.26  100.531  122.901   8.7834  122.774   10.755  123.158   15.221  2783.03  123.414  2764.35  176.773 18.67798 215.5914 
1 1 1  -13    2   19 o  2469.01   95.080   96.247   7.3507   96.701   8.9957   95.333   12.752  2469.71  116.325  2430.20  168.619 39.51001 204.8506 
1 1 1  -13    2   21 o  2523.21   83.099  100.448   6.5655   97.490   9.2733  103.421   9.2968  2475.61  119.629  2550.87  116.393 -75.26636 166.9084 
1 1 1  -13    2   23 o  669.828   87.947   7.2211   1.8000   7.1167   2.1840   7.4422   3.1783  660.141  109.496  665.139  155.405 -4.998230 190.1053 
1 1 1  -13    2   25 o  1163.84   70.466   21.485   2.5559   21.928   3.5962   21.033   3.6332  1168.50   99.224  1143.25  102.584 25.25415 142.7195 
1 1 1  -13    2   27 o  2054.76   77.102   67.052   4.9607   64.959   7.0065   69.156   7.0245  2003.82  112.117  2069.66  108.774 -65.83960 156.2115 
1 1 1  -13    2   29 o  963.933   71.212   14.832   2.1342   16.485   3.0458   13.239   2.9913  1008.28   97.699  898.901  108.466 109.3753 145.9793 
1 1 1  -13    2   31 o  665.313   77.445   7.1538   1.5832   7.4713   2.2749   6.8555   2.2047  669.188  112.564  639.851  114.230 29.33728 160.3717 
1 1 1  -13    2   33 f  2642.28  100.674  113.597   8.3294  112.315   10.214  116.142   14.392  2600.34  125.441  2562.71  180.505 37.62866 219.8123 
1 1 1  -13    2   35 f  3487.65  102.003  200.036   11.139  191.406   15.743  208.688   15.764  3316.77  151.587  3478.74  144.718 -161.9639 209.5751 
1 1 1  -13    2   37 o  967.378   77.300   15.228   2.3219   15.044   3.2516   15.419   3.3168  942.221  112.433  953.457  113.316 -11.23615 159.6294 
1 1 1  -13    2   39 o  1381.30   74.389   30.898   3.2056   31.265   4.5248   30.528   4.5420  1366.05  106.629  1348.20  108.510 17.84485 152.1322 
1 1 1  -13    2   41 o  3065.06  111.305  157.398   10.682  161.805   13.113  148.704   18.420  3056.50  137.008  2737.19  216.691 319.3169 256.3715 
1 1 1  -13    2   43 o  3661.77  127.840  231.117   14.658  222.805   17.960  247.698   25.367  3492.73  164.220  3422.13  238.214 70.60645 289.3337 
1 1 1  -13    2   45 o  2454.07  100.716  101.194   7.7393  101.424   9.4979  100.741   13.351  2407.88  126.415  2255.09  190.866 152.7800 228.9335 
1 1 1  -13    2   47 o  3189.79  118.415  177.989   11.827  171.563   14.481  190.865   20.498  3024.05  153.435  2924.77  225.561 99.27710 272.8001 
1 1 1  -13    2   49 o  1811.29   95.038   55.934   5.3714   55.600   6.6060   56.586   9.2272  1763.24  120.369  1657.38  180.729 105.8582 217.1441 
1 1 1  -13    2   51 f  936.738  102.874   15.642   2.9678   13.826   3.6843   18.997   5.0082  831.500  146.878  931.688  178.165 -100.1885 230.9023 
1 1 1  -13    2   53 o  1022.32  130.981   21.571   4.0965   24.029   5.9795   19.397   5.6234  910.504  213.445  791.238  219.350 119.2661 306.0608 
1 1 1  -13    2   55 o  2030.47  163.299  111.550   10.295  118.771   14.622  104.453   14.496  1244.54  356.780  984.480  360.272 260.0646 507.0377 
1 1 1  -13    2   57 o  ?   ?   428.856   42.978   0.0000   0.0000  428.856   42.978  ?   ?   ?   ?  0.000000      ? 
1 1 1  -13    2   59 o  395.511  188.569   25.148   6.4767   25.148   6.4767   0.0000   0.0000  395.511  188.569  ?   ?  0.000000 188.5693 
1 1 1  -13    2   63 o  405.991  198.334   80.624   8.3159   86.943   11.902   74.598   11.624  ?   ?   ?   ?  0.000000      ? 
1 1 1  -13    3    2 o  3045.42  104.534  146.150   9.9683  142.801   12.200  152.875   17.289  3005.10  129.657  3090.42  179.438 -85.31641 221.3793 
1 1 1  -13    3    4 o  3242.15  108.766  165.718   11.042  167.998   13.516  161.145   19.145  3258.93  132.456  3167.76  193.946 91.17188 234.8603 
1 1 1  -13    3    6 o  1060.17   96.195   17.837   3.1586   17.209   4.4138   18.497   4.5220  1033.31  140.025  1072.35  137.863 -39.04578 196.5021 
1 1 1  -13    3    8 o  1462.36   99.532   33.839   4.5305   33.268   6.4092   34.410   6.4049  1441.61  143.907  1466.95  141.180 -25.34790 201.5962 
1 1 1  -13    3   10 o  811.666   99.081   10.531   2.4659   12.050   3.5068   9.0453   3.4682  862.450  134.220  741.047  154.472 121.4029 204.6373 
1 1 1  -13    3   12 o  1366.23   97.753   29.561   4.1543   26.157   5.8417   33.043   5.9090  1274.69  149.178  1438.30  132.699 -163.6089 199.6577 
1 1 1  -13    3   14 o  1240.79   79.868   24.313   3.0865   24.841   3.7801   23.257   5.3464  1251.68   97.211  1201.44  145.050 50.23669 174.6123 
1 1 1  -13    3   16 o  482.758   98.696   3.8090   1.4416   4.2218   1.7436   2.9171   2.5628  506.985  112.748  445.767  152.574 61.21802 189.7131 
1 1 1  -13    3   18 o  579.678   91.408   5.4260   1.6042   5.2181   1.9848   5.8177   2.7243  563.872  116.274  592.462  147.441 -28.59039 187.7726 
1 1 1  -13    3   20 o  2316.47   80.092   84.574   5.8094   81.065   8.2167   88.082   8.2148  2256.60  116.685  2356.72  111.319 -100.1216 161.2680 
1 1 1  -13    3   22 o  586.096   95.257   5.5775   1.6881   5.5761   2.0669   5.5804   2.9258  581.460  117.562  578.026  157.406 3.433838 196.4618 
1 1 1  -13    3   24 o  567.717   80.186   5.1995   1.3858   3.7777   1.9301   6.7123   1.9909  476.256  127.069  641.394  102.588 -165.1373 163.3122 
1 1 1  -13    3   26 o  1195.38   81.397   22.799   3.0286   22.271   5.1883   23.072   3.7300  1157.79  146.384  1196.74  100.469 -38.94714 177.5453 
1 1 1  -13    3   28 o  1615.42   72.736   41.428   3.6792   39.530   5.1893   43.346   5.2172  1562.31  106.716  1638.53  102.196 -76.21545 147.7581 
1 1 1  -13    3   30 o  1487.98   72.545   35.211   3.3801   36.917   4.7700   33.491   4.7903  1509.33  101.520  1434.37  107.436 74.95898 147.8134 
1 1 1  -13    3   32 o  1156.80   71.584   21.406   2.5802   19.895   3.6275   22.953   3.6707  1100.94  106.561  1186.44   99.732 -85.50537 145.9513 
1 1 1  -13    3   34 o  1911.00   89.066   59.149   5.3296   55.176   6.5174   67.167   9.2593  1822.79  114.775  1971.49  151.142 -148.6965 189.7820 
1 1 1  -13    3   36 o  3664.25  106.063  222.636   12.169  218.671   17.204  226.607   17.216  3518.67  156.148  3589.67  153.166 -70.99731 218.7280 
1 1 1  -13    3   38 o  1728.36   74.559   48.223   4.0351   47.564   5.6880   48.890   5.7252  1685.75  108.331  1710.03  107.468 -24.27795 152.5946 
1 1 1  -13    3   40 o  4721.29  155.382  394.977   22.971  400.337   28.153  384.301   39.733  4599.81  195.461  3956.34  323.565 643.4719 378.0201 
1 1 1  -13    3   42 o  434.696  127.764   3.3194   1.8543   1.5601   2.3659   6.1207   2.9855  358.070  141.893  573.916  160.084 -215.8462 213.9174 
1 1 1  -13    3   44 o  2636.13  104.778  116.679   8.6488  114.360   10.620  121.248   14.905  2554.93  133.204  2492.43  192.466 62.50122 234.0654 
1 1 1  -13    3   46 o  2144.53   95.270   77.033   6.3974   76.451   7.8712   78.167   10.981  2093.35  120.594  2003.69  176.835 89.65833 214.0413 
1 1 1  -13    3   48 o  1303.65   88.366   28.539   3.5858   28.088   4.3818   29.453   6.2391  1268.51  111.447  1226.24  166.820 42.27234 200.6224 
1 1 1  -13    3   50 o  3254.57  122.954  192.598   12.530  201.360   15.379  175.298   21.610  3207.20  153.140  2455.54  286.443 751.6602 324.8094 
1 1 1  -13    3   52 o  1073.17   97.962   20.725   3.2556   18.681   3.9914   24.787   5.6272  964.702  135.901  1032.76  180.587 -68.05548 226.0108 
1 1 1  -13    3   54 o  898.773  140.232   18.281   3.8177   23.597   5.6261   13.745   5.1974  859.157  210.731  575.296  214.775 283.8614 300.8916 
1 1 1  -13    3   56 o  885.210  287.547   55.182   9.1229   0.0000   0.0000   55.182   9.1229  ?   ?   885.210  287.547 0.000000 287.5474 
1 1 1  -13    3   58 f  394.702  180.458   13.910   4.9902   0.0000   0.0000   13.910   4.9902  ?   ?   394.702  180.458 0.000000 180.4575 
1 1 1  -13    3   60 o  974.714  243.025   65.489   7.3916   59.148   10.624   71.438   10.290  ?   ?   413.632  205.491 0.000000 205.4909 
1 1 1  -13    3   62 o  406.388  178.400   21.718   4.3651   23.642   6.4500   20.093   5.9291  ?   ?   267.956  135.916 0.000000 135.9157 
1 1 1  -13    4    1 o  471.017   88.837   3.6038   1.2622   3.8862   1.5293   3.0006   2.2352  487.530  103.388  441.133  142.239 46.39648 175.8440 
1 1 1  -13    4    3 o  1372.10   98.868   29.800   4.2193   30.404   5.9528   29.190   5.9812  1378.62  139.833  1349.71  143.736 28.91101 200.5318 
1 1 1  -13    4    5 o  1868.80  105.200   55.215   6.1309   55.721   8.6330   54.701   8.7082  1868.36  148.799  1850.41  151.627 17.95667 212.4424 
1 1 1  -13    4    7 o  2115.80  109.456   70.790   7.2268   72.650   10.200   68.915   10.241  2133.34  153.717  2076.16  158.733 57.18701 220.9643 
1 1 1  -13    4    9 o  2562.47  118.227  103.716   9.4862  106.416   13.383  100.990   13.448  2579.36  166.594  2510.68  172.099 68.67651 239.5234 
1 1 1  -13    4   11 f  4245.11  128.920  285.238   17.137  283.013   20.978  289.701   29.711  4216.66  158.880  4225.90  225.348 -9.238770 275.7260 
1 1 1  -13    4   13 o  4142.71  128.620  271.795   16.684  280.107   20.427  255.134   28.920  4194.53  155.523  3955.46  234.541 239.0742 281.4198 
1 1 1  -13    4   15 o  2498.79   95.692   98.434   7.4872  103.241   9.1709   88.824   12.966  2555.27  114.619  2347.81  177.681 207.4612 211.4429 
1 1 1  -13    4   17 o  1557.10   83.079   38.287   4.0360   39.716   4.9268   35.372   7.0376  1583.00   99.907  1480.84  154.029 102.1617 183.5926 
1 1 1  -13    4   19 o  1554.67   71.142   38.030   3.4632   37.400   4.8901   38.665   4.9055  1534.35  102.371  1560.51  100.932 -26.16028 143.7601 
1 1 1  -13    4   21 o  2983.04  104.550  141.186   9.7657  143.716   11.959  136.121   16.920  3000.08  127.299  2881.05  188.598 119.0317 227.5397 
1 1 1  -13    4   23 o  657.320   76.466   6.9168   1.5444   6.3167   2.2114   7.4881   2.1579  618.566  118.489  678.134  105.017 -59.56824 158.3299 
1 1 1  -13    4   25 o  2187.95   79.275   75.903   5.4311   77.570   7.6815   74.236   7.6800  2195.47  112.113  2146.29  114.692 49.17847 160.3854 
1 1 1  -13    4   27 o  3689.44  121.424  220.834   14.028  227.654   24.277  217.416   17.187  3607.87  215.889  3625.80  151.384 -17.93384 263.6765 
1 1 1  -13    4   29 o  1776.09   74.899   50.160   4.1654   49.906   5.8810   50.416   5.9006  1754.34  107.578  1763.42  107.373 -9.083984 151.9937 
1 1 1  -13    4   31 o  1749.88   74.503   48.800   4.0822   45.915   5.7529   51.727   5.7936  1676.73  110.187  1783.94  104.171 -107.2058 151.6336 
1 1 1  -13    4   33 o  877.813   77.599   12.437   2.1110   11.175   2.9016   13.856   3.0767  816.438  116.834  913.869  109.712 -97.43158 160.2713 
1 1 1  -13    4   35 o  1950.77   92.138   62.027   5.6281   59.953   9.7010   63.078   6.9098  1826.33  171.652  1944.31  113.995 -117.9850 206.0563 
1 1 1  -13    4   37 o  938.716   86.719   14.457   2.5202   14.220   3.0866   14.930   4.3648  918.848  109.434  908.445  159.251 10.40332 193.2266 
1 1 1  -13    4   39 o  976.462   89.961   15.680   2.7197   15.678   3.4000   15.684   4.5317  962.131  115.145  930.469  161.391 31.66217 198.2558 
1 1 1  -13    4   41 o  3837.02  128.450  250.992   15.433  257.104   18.937  238.906   26.630  3801.48  159.089  3361.17  254.927 440.3120 300.4949 
1 1 1  -13    4   43 o  4167.30  138.948  303.451   18.131  314.090   22.242  282.378   31.302  4126.53  172.139  3455.86  292.000 670.6731 338.9634 
1 1 1  -13    4   45 o  3103.90  114.899  164.861   11.167  164.247   13.706  166.075   19.260  3023.45  144.774  2809.57  220.706 213.8745 263.9516 
1 1 1  -13    4   47 o  251.090  110.409  -0.1185   1.6780  -0.7460   2.2825   0.6194   2.4754  271.413  123.294  321.361  137.705 -49.94876 184.8355 
1 1 1  -13    4   49 o  1289.95   91.764   28.226   3.6823   26.536   4.5489   31.439   6.2716  1217.01  120.974  1266.24  161.883 -49.23340 202.0916 
1 1 1  -13    4   51 o  947.645  122.035   16.788   3.5370   21.278   4.9178   11.978   5.0908  1012.72  160.431  668.725  214.562 343.9977 267.9088 
1 1 1  -13    4   53 f  1821.59  128.206   68.152   7.2661   75.564   10.354   60.960   10.199  1648.16  205.063  1352.22  250.094 295.9409 323.4157 
1 1 1  -13    4   55 o  2224.35  336.048  307.173   22.676  318.407   32.093  295.972   32.045  ?   ?   ?   ?  0.000000      ? 
1 1 1  -13    4   57 o  1727.22  115.227   70.046   6.1961   70.996   7.6298   68.206   10.618  1505.80  164.494  681.543  288.376 824.2575 331.9929 
1 1 1  -13    4   59 o  358.661  154.857   7.6145   3.1759   9.8565   4.9446   6.0400   4.1436  311.152  152.200  289.623  141.159 21.52899 207.5827 
1 1 1  -13    4   61 o  228.986  112.625   2.3233   2.8254   5.4614   4.5146   0.3029   3.6225  240.871  121.798  210.902  106.898 29.96913 162.0554 
1 1 1  -13    4   63 o  301.043  144.442   15.548   3.9323   6.6580   5.8133   23.047   5.3392  ?   ?   276.196  138.787 0.000000 138.7868 
1 1 1  -13    5    2 o  3576.77  111.535  201.794   12.492  171.469   21.589  217.057   15.316  3258.97  212.724  3704.05  132.053 -445.0869 250.3789 
1 1 1  -13    5    4 o  1430.73   79.979   32.271   3.5687   30.565   6.1734   33.127   4.3735  1381.26  144.893  1447.31   97.067 -66.04980 174.4019 
1 1 1  -13    5    6 o  374.422   97.461   2.2892   1.1537   1.9640   2.0581   2.4382   1.3932  381.258  136.259  388.186  109.741 -6.928558 174.9557 
1 1 1  -13    5    8 o  162.755   72.111  -0.2567   0.7289  -0.4869   1.0589  -0.0494   1.0050  191.236   85.677  205.309   87.852 -14.07248 122.7130 
1 1 1  -13    5   10 o  3997.99  107.323  252.109   13.435  266.893   19.008  237.346   18.993  4099.91  148.059  3862.94  157.025 236.9629 215.8200 
1 1 1  -13    5   12 o  3207.70   93.340  162.047   9.3751  159.374   13.261  164.719   13.256  3171.35  133.543  3224.74  131.277 -53.39307 187.2629 
1 1 1  -13    5   14 o  2568.82   83.079  103.838   6.6826  104.733   9.4600  102.946   9.4413  2573.41  117.399  2551.19  118.187 22.21631 166.5853 
1 1 1  -13    5   16 o  2212.59   78.715   77.033   5.4535   78.558   7.7192   75.514   7.7058  2228.92  110.601  2181.98  113.173 46.94067 158.2426 
1 1 1  -13    5   18 o  1666.50   72.396   43.697   3.7778   45.354   5.3512   42.050   5.3341  1690.82  101.543  1627.05  105.263 63.77148 146.2577 
1 1 1  -13    5   20 o  1580.62   84.154   39.546   4.1501   40.549   5.0522   37.464   7.2768  1596.67  101.581  1518.54  155.220 78.13220 185.5047 
1 1 1  -13    5   22 o  1245.13   71.039   24.532   2.7582   26.052   3.8957   23.004   3.9057  1277.26   98.157  1198.00  105.181 79.25989 143.8676 
1 1 1  -13    5   24 o  2711.54   86.934  116.746   7.3812  117.747   10.446  115.748   10.431  2704.02  123.378  2680.43  124.278 23.59863 175.1203 
1 1 1  -13    5   26 o  2175.70   78.013   75.142   5.3148   78.407   7.5334   71.907   7.4991  2208.12  108.956  2109.22  113.969 98.90552 157.6718 
1 1 1  -13    5   28 o  526.655  125.056   4.6893   2.0316   0.0000   0.0000   4.6893   2.0316  ?   ?   526.655  125.056 0.000000 125.0564 
1 1 1  -13    5   30 o  1889.59   76.408   56.873   4.5209   55.865   6.3765   57.892   6.4107  1852.72  110.416  1887.06  108.957 -34.34448 155.1234 
1 1 1  -13    5   32 o  1210.68   69.352   23.413   2.6181   19.015   3.6127   28.277   3.7995  1074.85  108.842  1321.04   92.435 -246.1954 142.7970 
1 1 1  -13    5   34 o  2248.62   93.909   82.245   6.6121   82.485   8.1140   81.768   11.408  2226.76  116.778  2146.49  171.155 80.27075 207.1986 
1 1 1  -13    5   36 o  3975.12  133.042  269.404   16.560  267.433   20.299  273.327   28.635  3869.00  167.552  3631.82  253.385 237.1860 303.7722 
1 1 1  -13    5   38 o  1791.62   88.343   52.254   4.9561   51.157   6.0964   54.390   8.5107  1749.82  111.852  1753.01  156.698 -3.190674 192.5228 
1 1 1  -13    5   40 o  435.917  123.634   3.3002   1.7654   4.6415   2.2687   1.2417   2.8107  511.200  138.358  367.826  151.417 143.3736 205.1100 
1 1 1  -13    5   42 o  531.275  124.283   4.9599   2.0307   3.6840   2.7185   6.5707   3.0545  460.406  157.146  596.089  160.207 -135.6832 224.4127 
1 1 1  -13    5   44 o  2244.53   97.925   83.717   6.8824   80.659   8.4787   89.625   11.784  2160.22  125.893  2188.08  173.415 -27.85815 214.2936 
1 1 1  -13    5   46 o  779.900  106.107   10.452   2.5239   10.005   3.2508   11.130   4.0049  734.864  146.415  752.958  173.438 -18.09424 226.9760 
1 1 1  -13    5   48 o  1704.12  113.322   50.551   6.0124   52.744   8.5619   48.417   8.4449  1645.58  168.541  1564.07  175.458 81.50635 243.2932 
1 1 1  -13    5   50 o  998.067  120.712   18.154   3.6958   13.875   5.2772   22.273   5.1775  754.050  213.722  1050.93  162.587 -296.8760 268.5356 
1 1 1  -13    5   52 o  1189.87  117.054   27.001   4.3047   27.422   6.1341   26.592   6.0425  1057.01  192.423  1040.32  192.589 16.69055 272.2444 
1 1 1  -13    5   54 f  1205.36  100.703   28.205   3.7660   26.326   4.6502   31.787   6.4200  1070.15  142.301  1004.26  210.874 65.89630 254.3962 
1 1 1  -13    5   56 o  599.238  139.683   9.2795   2.5726   7.5652   3.2375   12.216   4.2374  443.786  168.668  511.521  193.313 -67.73453 256.5523 
1 1 1  -13    5   58 o  333.083  146.753   5.2019   2.9779   7.7477   4.8286   3.6393   3.7830  318.867  154.718  286.057  138.343 32.80988 207.5488 
1 1 1  -13    5   60 o  1636.85  137.413   85.967   6.9777   92.196   8.6211   74.136   11.881  1255.62  227.658  ?   ?  0.000000 227.6584 
1 1 1  -13    5   62 o  434.991  187.012   24.496   4.5925   25.624   6.9230   23.610   6.1372  ?   ?   283.137  143.069 0.000000 143.0688 
1 1 1  -13    6    1 o  2325.43   91.449   85.092   6.6588   83.537   11.523   85.872   8.1591  2286.32  162.005  2333.16  111.681 -46.84033 196.7692 
1 1 1  -13    6    3 o  1166.73   79.066   21.490   2.8715   21.012   4.9754   21.728   3.5162  1143.12  142.066  1170.83   96.777 -27.70569 171.8965 
1 1 1  -13    6    5 o  307.536   89.917   1.5139   0.9206   1.4502   1.3895   1.5637   1.2290  321.555  112.226  321.860  105.587 -0.3050232 154.0881 
1 1 1  -13    6    7 o  2028.37   75.456   64.640   4.7925   59.713   6.7676   69.597   6.7876  1942.34  111.744  2101.52  103.149 -159.1840 152.0740 
1 1 1  -13    6    9 o  2196.77   77.843   75.845   5.3545   76.867   7.5734   74.825   7.5714  2207.35  109.574  2174.75  111.562 32.59570 156.3729 
1 1 1  -13    6   11 o  643.480   74.290   6.5924   1.4694   7.2979   2.0929   5.9067   2.0634  672.846  102.582  601.957  113.638 70.88879 153.0902 
1 1 1  -13    6   13 o  1768.22   73.453   49.141   4.0669   46.923   5.7474   51.367   5.7556  1720.83  107.195  1801.66  102.447 -80.83386 148.2774 
1 1 1  -13    6   15 o  2106.97   77.018   69.834   5.0812   68.564   7.1791   71.108   7.1928  2079.64  110.644  2118.41  108.803 -38.76221 155.1783 
1 1 1  -13    6   17 o  2425.07   79.872   92.614   6.0651   91.337   8.5762   93.892   8.5784  2401.02  114.073  2434.75  112.521 -33.73511 160.2301 
1 1 1  -13    6   19 o  1721.28   72.974   46.666   3.9331   49.717   5.5591   43.607   5.5653  1769.10  100.772  1654.66  108.008 114.4474 147.7181 
1 1 1  -13    6   21 o  1592.12   72.348   39.981   3.6068   37.641   5.0888   42.343   5.1129  1534.74  106.551  1629.91  100.674 -95.16870 146.5896 
1 1 1  -13    6   23 f  2389.81   81.300   90.461   6.0837   89.653   8.6051   91.267   8.6023  2364.93  116.205  2386.64  115.109 -21.71313 163.5651 
1 1 1  -13    6   25 o  286.063   98.433   1.1974   1.0671   1.4847   1.5570   0.9429   1.4655  328.555  118.399  293.363  112.996 35.19153 163.6655 
1 1 1  -13    6   27 o  2051.50   88.566   67.141   5.6892   62.468   9.8300   69.495   6.9764  1929.94  164.226  2075.38  107.724 -145.4401 196.4046 
1 1 1  -13    6   29 o  355.554  121.176   1.9284   1.6164   3.8089   2.4198   0.4130   2.1722  477.271  147.233  313.591  131.434 163.6797 197.3635 
1 1 1  -13    6   31 o  2205.73   93.636   78.346   6.4671   74.593   7.9302   85.797   11.174  2131.04  119.324  2244.94  160.012 -113.9004 199.6044 
1 1 1  -13    6   33 o  2747.66  104.076  123.344   8.9543  114.922   10.981  140.056   15.469  2613.02  134.670  2816.70  176.271 -203.6772 221.8281 
1 1 1  -13    6   35 o  2050.70   89.923   68.322   5.7742   71.495   7.1013   62.131   9.9194  2077.19  109.568  1863.05  171.979 214.1423 203.9167 
1 1 1  -13    6   37 o  2811.89  104.202  130.254   9.1747  129.793   11.263  131.163   15.817  2769.10  129.897  2667.21  190.647 101.8909 230.6936 
1 1 1  -13    6   39 o  2258.87   94.067   83.220   6.6535   87.620   8.1894   74.677   11.412  2296.48  113.887  2027.36  181.691 269.1185 214.4341 
1 1 1  -13    6   41 o  4772.85  156.845  400.816   23.440  395.197   28.738  411.984   40.517  4582.81  200.265  4217.86  308.933 364.9409 368.1654 
1 1 1  -13    6   43 f  3027.22  110.797  153.683   10.502  156.523   12.914  148.135   18.049  3001.95  137.384  2736.95  212.263 264.9993 252.8436 
1 1 1  -13    6   45 o  1441.36  109.280   35.286   4.8954   38.075   7.0145   32.639   6.8352  1438.54  158.346  1317.39  169.641 121.1487 232.0598 
1 1 1  -13    6   47 o  3438.76  158.510  220.795   17.068  230.522   24.186  211.145   24.090  3176.53  245.051  2980.12  260.779 196.4167 357.8486 
1 1 1  -13    6   49 o  1337.15   93.682   30.383   3.8976   27.686   4.8484   35.310   6.5531  1236.77  127.001  1350.43  157.959 -113.6598 202.6822 
1 1 1  -13    6   51 o  1698.34   95.390   50.597   5.0522   50.423   6.2695   50.919   8.5323  1638.47  123.103  1501.07  185.474 137.3943 222.6093 
1 1 1  -13    6   53 o  3922.97  204.463  438.147   25.029  453.383   30.699  407.939   43.225  3158.11  314.628  ?   ?  0.000000 314.6276 
1 1 1  -13    6   55 o  1055.64  106.845   23.030   3.4831   23.564   4.3572   22.084   5.7973  971.237  147.947  692.813  229.425 278.4237 272.9908 
1 1 1  -13    6   57 o  1379.50  106.921   42.465   4.5824   46.536   5.7024   35.042   7.6993  1310.31  141.215  572.559  244.035 737.7507 281.9480 
1 1 1  -13    6   59 o  1057.85  201.412   50.231   6.4279   50.231   6.4279   0.0000   0.0000  1057.85  201.412  ?   ?  0.000000 201.4123 
1 1 1  -13    6   61 o  259.476  120.773   3.5373   2.3841   5.1479   3.0457   0.9890   3.8311  267.979  128.192  218.008  110.441 49.97115 169.2050 
1 1 1  -13    7    2 f  3515.04  113.466  194.974   12.489  183.679   21.601  200.645   15.306  3375.90  205.326  3559.29  137.332 -183.3840 247.0203 
1 1 1  -13    7    4 o  657.931   73.889   6.8846   1.4959   7.3747   2.1351   6.4121   2.0965  676.366  104.158  628.566  110.553 47.79987 151.8913 
1 1 1  -13    7    6 o  1610.71   69.830   40.741   3.5219   34.592   4.9561   47.014   5.0057  1477.25  107.890  1725.79   92.975 -248.5334 142.4237 
1 1 1  -13    7    8 o  921.611   69.355   13.414   1.9868   11.680   2.7956   15.183   2.8241  854.107  106.869  977.656   93.387 -123.5485 141.9226 
1 1 1  -13    7   10 o  1071.89   68.940   18.120   2.3016   16.518   3.2339   19.763   3.2764  1018.48  102.811  1116.25   94.630 -97.77167 139.7310 
1 1 1  -13    7   12 o  1881.16   73.826   55.622   4.3486   57.173   6.1609   54.082   6.1389  1900.78  103.907  1848.02  106.541 52.76147 148.8208 
1 1 1  -13    7   14 o  1409.26   69.821   31.215   3.0810   30.941   4.3724   31.486   4.3422  1396.60  100.658  1409.20   99.036 -12.59766 141.2097 
1 1 1  -13    7   16 o  1443.82   70.829   32.789   3.2022   31.032   4.5260   34.549   4.5311  1397.10  104.209  1475.69   98.627 -78.58911 143.4812 
1 1 1  -13    7   18 o  770.515   74.206   9.4371   1.7682   10.597   2.5130   8.3003   2.4884  812.036  101.017  714.209  115.190 97.82751 153.2096 
1 1 1  -13    7   20 o  1773.84   73.876   49.634   4.1033   49.904   5.8221   49.367   5.7840  1768.77  105.604  1759.24  105.486 9.526489 149.2633 
1 1 1  -13    7   22 o  2738.79   88.225  118.981   7.5661  122.256   10.694  115.698   10.706  2758.96  123.784  2681.88  127.493 77.07935 177.6992 
1 1 1  -13    7   24 f  1596.52   85.363   40.598   4.2519   39.261   5.2316   43.200   7.2978  1562.10  107.613  1621.52  145.270 -59.42444 180.7875 
1 1 1  -13    7   26 o  2356.15  116.257   89.560   8.5770   90.083   12.226   89.053   12.035  2319.83  169.489  2308.06  167.675 11.76929 238.4149 
1 1 1  -13    7   28 o  3168.77  110.010  162.059   10.915  162.322   13.396  161.540   18.830  3146.59  135.961  3058.83  197.651 87.76587 239.8987 
1 1 1  -13    7   30 o  3860.89  156.565  250.516   18.928  258.732   26.786  242.321   26.750  3779.14  227.418  3638.08  236.093 141.0601 327.8089 
1 1 1  -13    7   32 o  3570.80  121.320  210.410   13.565  206.225   16.633  218.721   23.439  3483.74  152.481  3444.68  218.439 39.05518 266.3946 
1 1 1  -13    7   34 o  1179.34   85.501   22.563   3.1359   19.822   3.8363   28.084   5.4442  1090.28  114.060  1282.64  137.709 -192.3645 178.8114 
1 1 1  -13    7   36 o  2121.19   93.449   73.211   6.2069   67.160   7.6103   85.234   10.727  2002.27  121.965  2211.75  155.887 -209.4839 197.9300 
1 1 1  -13    7   38 o  3543.81  121.814  209.426   13.517  203.779   16.585  220.598   23.328  3432.85  154.292  3406.68  219.867 26.16846 268.6032 
1 1 1  -13    7   40 o  540.290  120.794   5.0443   1.9923   6.3805   2.5680   3.0243   3.1575  601.609  139.099  446.214  167.241 155.3958 217.5273 
1 1 1  -13    7   42 o  3580.06  156.003  226.210   17.488  221.584   24.748  230.824   24.716  3290.40  241.893  3380.64  234.944 -90.23511 337.2106 
1 1 1  -13    7   44 o  2439.46  124.650  102.155   9.4897   97.133   13.435  107.156   13.406  2246.71  192.842  2386.91  180.708 -140.1951 264.2791 
1 1 1  -13    7   46 f  1612.85   91.524   43.206   4.6031   41.040   5.7119   47.219   7.7746  1541.46  119.267  1601.07  157.102 -59.60669 197.2456 
1 1 1  -13    7   48 o  2674.85  104.333  121.971   8.7385  129.829   10.769  106.823   14.953  2706.82  127.057  2216.71  218.253 490.1118 252.5424 
1 1 1  -13    7   50 o  3068.05  114.916  168.648   11.040  176.610   13.596  153.237   18.915  3036.34  143.002  2394.29  256.272 642.0422 293.4703 
1 1 1  -13    7   52 o  480.009  138.156   4.9452   2.1886   5.9820   2.8808   3.5300   3.3657  500.438  161.492  397.176  164.796 103.2622 230.7322 
1 1 1  -13    7   54 o  285.527  123.744   1.2580   2.0432  -2.5191   2.6496   6.7993   3.2093  227.180  111.186  471.314  169.964 -244.1340 203.1012 
1 1 1  -13    7   56 o  2846.46  168.516  241.856   14.953  253.759   18.377  218.538   25.721  2255.09  265.330  ?   ?  0.000000 265.3301 
1 1 1  -13    7   58 o  1555.20  208.992  104.747   9.9197  104.747   9.9197   0.0000   0.0000  1555.20  208.992  ?   ?  0.000000 208.9921 
1 1 1  -13    7   60 o  1028.10  128.286   31.061   4.0400   34.585   5.0901   25.062   6.6412  856.882  194.197  355.803  174.528 501.0789 261.0987 
1 1 1  -13    7   62 o  197.006   97.438   0.5633   2.2186   2.8766   2.9162  -2.6155   3.4185  223.471  110.738  ?   ?  0.000000 110.7379 
1 1 1  -13    8    1 o  3963.27  106.451  247.744   13.211  243.357   18.686  252.128   18.680  3912.89  152.508  3983.86  149.743 -70.96655 213.7322 
1 1 1  -13    8    3 o  2620.83   81.186  107.994   6.6625  110.746   9.4290  105.250   9.4156  2648.66  113.689  2581.57  116.478 67.09058 162.7652 
1 1 1  -13    8    5 o  1548.95   71.009   37.685   3.4440   32.424   4.8708   42.945   4.8703  1429.47  109.656  1648.78   94.735 -219.3007 144.9111 
1 1 1  -13    8    7 f  878.310   70.626   12.195   1.9259   13.082   2.7456   11.336   2.7023  905.977   98.365  841.509  104.828 64.46796 143.7518 
1 1 1  -13    8    9 o  2186.04   77.852   75.130   5.3290   74.976   7.5439   75.284   7.5288  2176.34  111.071  2180.92  110.610 -4.575195 156.7521 
1 1 1  -13    8   11 o  525.133   82.217   4.4419   1.3076   3.2569   1.8485   5.6286   1.8498  447.530  126.367  588.690  104.163 -141.1606 163.7635 
1 1 1  -13    8   13 o  1402.16   71.234   30.988   3.1173   32.328   4.4293   29.673   4.3880  1427.75   99.701  1366.92  103.282 60.82776 143.5526 
1 1 1  -13    8   15 o  1853.36   74.565   54.063   4.3272   53.854   6.1185   54.273   6.1207  1841.74  106.552  1849.00  106.163 -7.257080 150.4122 
1 1 1  -13    8   17 o  422.197  102.865   2.9356   1.3474   3.4368   1.6888   2.0578   2.2349  456.440  117.473  391.523  141.734 64.91718 184.0882 
1 1 1  -13    8   19 o  2174.12   91.162   74.843   6.2060   73.867   7.6209   76.765   10.693  2150.41  113.582  2172.29  158.293 -21.88306 194.8274 
1 1 1  -13    8   21 o  722.698   86.750   8.3912   1.9239   8.4842   2.3631   8.2085   3.3131  721.870  107.855  697.650  155.619 24.22028 189.3408 
1 1 1  -13    8   23 o  577.827   96.022   5.4525   1.6764   4.6531   2.0649   6.9980   2.8710  527.041  126.691  643.798  145.802 -116.7569 193.1551 
1 1 1  -13    8   25 o  755.181  109.373   9.3263   2.5110   11.711   3.6983   7.2863   3.4202  835.540  146.708  651.280  166.938 184.2603 222.2422 
1 1 1  -13    8   27 f  2080.89   90.565   69.111   5.9010   68.629   7.2464   70.060   10.167  2060.06  112.766  2049.28  159.708 10.78149 195.5067 
1 1 1  -13    8   29 o  2878.44  103.302  133.550   9.3107  136.340   11.430  128.047   16.052  2887.82  126.402  2723.09  189.437 164.7327 227.7363 
1 1 1  -13    8   31 o  660.182   97.739   7.1786   1.9594   7.7347   2.4372   6.1624   3.2947  678.249  119.106  590.420  169.389 87.82843 207.0718 
1 1 1  -13    8   33 o  2362.25   98.649   90.706   7.2968   86.337   8.9702   99.251   12.545  2275.10  126.416  2383.28  169.209 -108.1770 211.2171 
1 1 1  -13    8   35 o  817.237   94.715   10.971   2.3788   10.454   2.9933   11.858   3.9189  783.742  126.263  818.242  158.681 -34.50018 202.7852 
1 1 1  -13    8   37 o  1639.58  107.360   44.208   5.4813   43.438   7.7214   44.989   7.7826  1582.31  157.952  1612.27  156.114 -29.95679 222.0825 
1 1 1  -13    8   39 o  218.740  100.742  -1.0910   1.5946  -1.5130   2.1232  -0.5450   2.4150  249.067  115.251  294.296  130.781 -45.22896 174.3175 
1 1 1  -13    8   41 o  3107.07  139.463  164.996   13.568  162.680   19.185  167.314   19.192  2928.71  210.612  2978.86  207.040 -50.15112 295.3358 
1 1 1  -13    8   43 o  2451.20  100.294   99.253   7.6979   95.851   9.4710  105.874   13.214  2367.39  128.243  2399.03  177.155 -31.64063 218.7013 
1 1 1  -13    8   45 o  1945.89   92.804   62.477   5.6546   63.239   6.9575   60.993   9.7053  1927.93  115.788  1806.80  173.686 121.1271 208.7433 
1 1 1  -13    8   47 o  2056.20   94.635   70.477   6.0930   72.086   7.5311   67.428   10.367  2042.62  118.254  1866.15  179.633 176.4768 215.0624 
1 1 1  -13    8   49 o  1848.79   93.533   58.014   5.3970   60.524   6.6610   53.218   9.2084  1851.46  115.472  1597.68  187.640 253.7850 220.3240 
1 1 1  -13    8   51 o  2541.04  143.876  130.300   11.401  126.224   16.137  134.362   16.109  2073.96  253.781  2200.43  237.568 -126.4609 347.6258 
1 1 1  -13    8   53 o  2348.18  113.373  108.886   8.3360  102.788   10.259  120.733   14.300  2087.54  158.127  1845.77  254.169 241.7679 299.3426 
1 1 1  -13    8   55 o  1844.46  109.539   70.948   6.2980   71.232   7.7770   70.407   10.735  1680.26  149.373  1101.16  302.190 579.1011 337.0917 
1 1 1  -13    8   57 o  1849.47  244.408  165.203   13.807  165.203   13.807   0.0000   0.0000  1849.47  244.408  ?   ?  0.000000 244.4084 
1 1 1  -13    8   59 o  746.002  141.933   16.675   3.1943   17.118   4.1300   16.015   5.0394  555.892  193.508  404.323  183.490 151.5684 266.6721 
1 1 1  -13    8   61 f  758.208  150.002   20.951   3.4351   22.968   4.3127   17.452   5.6816  573.267  197.845  305.199  151.798 268.0677 249.3694 
1 1 1  -13    9    2 o  3930.56  105.767  243.784   13.017  236.788   18.412  250.777   18.406  3857.54  152.434  3971.68  148.005 -114.1453 212.4655 
1 1 1  -13    9    4 o  1581.07   71.298   39.275   3.5297   38.521   5.0046   40.022   4.9792  1559.50  103.067  1590.17  100.516 -30.67346 143.9663 
1 1 1  -13    9    6 o  1710.91   71.630   45.995   3.8374   42.854   5.4356   49.116   5.4183  1644.60  106.119  1762.47   98.576 -117.8759 144.8391 
1 1 1  -13    9    8 o  1974.87   75.268   61.315   4.6544   63.198   6.5936   59.445   6.5711  1998.21  105.758  1937.18  108.770 61.02332 151.7095 
1 1 1  -13    9   10 o  1898.07   85.543   56.730   5.0841   59.264   6.2550   51.796   8.7276  1934.71  103.627  1795.10  156.845 139.6094 187.9870 
1 1 1  -13    9   12 o  1424.08   80.491   32.031   3.5745   34.858   4.4027   26.565   6.1227  1483.24   95.300  1280.17  155.967 203.0688 182.7775 
1 1 1  -13    9   14 o  2733.69  100.436  118.177   8.5972  118.535   10.540  117.464   14.861  2730.96  123.256  2691.95  177.294 39.01050 215.9290 
1 1 1  -13    9   16 o  1971.06   87.314   61.366   5.3889   63.733   6.6289   56.752   9.2538  2001.83  106.132  1870.19  159.548 131.6387 191.6239 
1 1 1  -13    9   18 o  1531.51  102.566   37.405   4.8902   37.405   4.8902   0.0000   0.0000  1531.51  102.566  ?   ?  0.000000 102.5661 
1 1 1  -13    9   20 o  690.916   89.499   7.6892   1.8907   6.2151   2.3302   10.530   3.2349  611.864  125.826  798.924  134.061 -187.0599 183.8602 
1 1 1  -13    9   22 o  2216.03   91.730   78.036   6.3651   77.654   7.8212   78.784   10.953  2199.07  113.975  2188.25  160.990 10.82935 197.2514 
1 1 1  -13    9   24 o  2470.22  120.046   98.227   9.2853   89.290   13.197  106.990   13.067  2306.87  184.229  2542.78  165.011 -235.9097 247.3241 
1 1 1  -13    9   26 o  1699.50   85.875   46.067   4.5551   45.313   5.5893   47.558   7.8604  1677.04  106.995  1695.93  149.551 -18.89148 183.8846 
1 1 1  -13    9   28 o  647.011   96.002   6.8433   1.8860   6.1731   2.3436   8.0749   3.1769  604.944  127.731  686.063  151.896 -81.11859 198.4636 
1 1 1  -13    9   30 o  724.450   96.737   8.5903   2.1396   8.4057   2.6895   8.9085   3.5313  706.254  126.248  713.479  161.790 -7.224365 205.2185 
1 1 1  -13    9   32 o  1167.76   85.960   22.024   3.1211   21.392   3.8705   23.199   5.2775  1139.94  109.791  1165.31  147.969 -25.37488 184.2521 
1 1 1  -13    9   34 o  566.796  127.146   5.5222   2.2010   2.0434   3.0714   9.1944   3.1556  412.096  162.187  728.226  143.493 -316.1306 216.5521 
1 1 1  -13    9   36 o  3753.79  156.225  240.465   18.363  241.427   26.017  239.510   25.920  3580.52  233.335  3566.04  233.422 14.47876 330.0466 
1 1 1  -13    9   38 o  1742.02  109.865   49.863   5.9621   48.565   8.5116   51.113   8.3540  1671.29  164.790  1723.07  156.545 -51.77832 227.2931 
1 1 1  -13    9   40 o  2806.53  107.038  129.313   9.4064  125.138   11.571  137.448   16.152  2722.76  135.722  2759.48  188.052 -36.72046 231.9135 
1 1 1  -13    9   42 o  3794.17  128.515  243.690   15.268  241.366   18.737  248.284   26.342  3695.36  161.926  3509.93  241.143 185.4358 290.4647 
1 1 1  -13    9   44 o  1585.71   90.296   41.283   4.4648   40.547   5.5188   42.676   7.5963  1549.92  114.525  1539.39  159.927 10.53027 196.7046 
1 1 1  -13    9   46 o  1793.01   93.762   53.289   5.2458   50.690   6.4897   58.188   8.9106  1716.81  121.506  1780.77  161.560 -63.96094 202.1522 
1 1 1  -13    9   48 o  1214.95   94.005   24.884   3.5484   24.627   4.3953   25.365   6.0132  1182.46  120.387  1135.81  174.673 46.65259 212.1409 
1 1 1  -13    9   50 o  906.857  106.177   14.700   2.9579   14.573   3.6949   14.926   4.9358  864.302  141.420  796.977  198.526 67.32489 243.7462 
1 1 1  -13    9   52 o  1942.35  101.917   69.797   6.1769   73.351   7.6231   63.003   10.540  1908.02  128.340  1414.21  247.018 493.8174 278.3688 
1 1 1  -13    9   54 o  2133.64  109.718   91.738   7.3054   91.669   8.9970   91.871   12.516  1967.03  147.138  1411.51  292.783 555.5276 327.6756 
1 1 1  -13    9   56 o  1797.70  174.363   98.100   9.6916   98.100   9.6916   0.0000   0.0000  1797.70  174.363  ?   ?  0.000000 174.3635 
1 1 1  -13    9   58 o  2105.51  132.939  118.897   8.7195  112.446   10.711  131.570   15.014  1545.05  228.272  648.856  302.363 896.1956 378.8557 
1 1 1  -13    9   60 o  1373.37  127.268   54.469   5.4108   56.973   6.6855   49.716   9.2121  1092.35  202.929  397.609  196.991 694.7424 282.8179 
1 1 1  -13   10    1 o  255.943   96.271   0.7578   1.0481   0.5197   1.2842   1.2326   1.8136  260.039  104.054  331.885  126.216 -71.84604 163.5784 
1 1 1  -13   10    3 o  1860.78   85.218   54.526   4.9653   57.163   6.1105   49.400   8.5189  1899.98  103.096  1752.51  156.901 147.4691 187.7412 
1 1 1  -13   10    5 o  1511.87   83.030   36.091   3.9156   35.309   4.8274   37.595   6.6948  1491.76  103.997  1531.21  141.224 -39.44934 175.3840 
1 1 1  -13   10    7 f  1807.59   84.620   51.458   4.7895   53.785   5.8992   46.957   8.2039  1842.68  102.649  1708.35  155.055 134.3304 185.9540 
1 1 1  -13   10    9 o  620.645   88.652   6.1924   1.6739   6.2187   2.0875   6.1450   2.8015  617.592  112.075  608.778  148.327 8.814087 185.9076 
1 1 1  -13   10   11 o  1557.97   84.078   38.366   4.0865   34.955   5.0211   45.058   7.0327  1482.00  108.965  1676.84  135.087 -194.8381 173.5569 
1 1 1  -13   10   13 o  1138.89   81.322   20.551   2.8810   20.985   3.5460   19.709   4.9416  1147.52   99.677  1100.39  147.099 47.12585 177.6896 
1 1 1  -13   10   15 o  1121.88   81.684   19.964   2.8497   19.312   3.5112   21.224   4.8780  1099.01  103.244  1143.35  139.120 -44.34485 173.2440 
1 1 1  -13   10   17 o  1870.32  108.632   55.822   6.3346   55.822   6.3346   0.0000   0.0000  1870.32  108.632  ?   ?  0.000000 108.6323 
1 1 1  -13   10   19 o  1618.85   84.597   41.586   4.2733   42.917   5.2637   39.012   7.3191  1639.38  103.064  1544.37  153.382 95.01770 184.7922 
1 1 1  -13   10   21 o  1439.65   83.849   32.936   3.7635   31.414   4.6306   35.896   6.4594  1399.55  106.464  1483.96  140.694 -84.41150 176.4350 
1 1 1  -13   10   23 f  801.810   87.064   10.319   2.1507   11.307   2.6901   8.5698   3.5805  835.248  105.192  709.328  164.416 125.9201 195.1872 
1 1 1  -13   10   25 o  1030.12   84.412   16.965   2.6988   16.874   3.3396   17.136   4.5822  1021.32  105.970  1014.09  148.724 7.230408 182.6155 
1 1 1  -13   10   27 o  1052.79   87.309   17.785   2.8522   17.084   3.5718   19.018   4.7383  1023.25  113.383  1067.01  145.622 -43.76575 184.5581 
1 1 1  -13   10   29 o  2306.24   92.932   85.342   6.7110   86.067   8.2581   83.933   11.516  2301.53  114.590  2223.46  166.621 78.07007 202.2211 
1 1 1  -13   10   31 o  2186.49  114.334   78.227   7.8006   78.097   11.040   78.356   11.024  2134.15  166.516  2138.31  165.947 -4.155762 235.0875 
1 1 1  -13   10   33 o  1409.08  104.015   32.384   4.5569   31.399   6.4525   33.364   6.4363  1355.35  154.819  1401.78  148.916 -46.43616 214.8136 
1 1 1  -13   10   35 o  900.496  112.276   13.402   3.0970   12.054   4.4574   14.660   4.3062  822.342  178.251  922.118  154.613 -99.77637 235.9633 
1 1 1  -13   10   37 o  1836.53  109.769   55.161   6.2835   55.149   8.9582   55.173   8.8158  1793.10  161.277  1796.26  158.359 -3.155029 226.0265 
1 1 1  -13   10   39 o  1793.26  111.266   52.894   6.2169   52.424   8.8533   53.350   8.7319  1736.81  164.766  1756.51  160.534 -19.70374 230.0415 
1 1 1  -13   10   41 o  349.427  135.702   1.4890   2.1271   3.5637   3.2358  -0.0897   2.8227  470.263  170.497  330.137  144.229 140.1259 223.3188 
1 1 1  -13   10   43 o  1275.52   91.440   26.658   3.6279   24.814   4.5057   30.057   6.1175  1210.97  120.422  1305.72  152.499 -94.74146 194.3127 
1 1 1  -13   10   45 o  738.253  110.958   9.2855   2.4856   10.020   3.1178   8.0036   4.1175  752.156  137.445  639.370  191.009 112.7862 235.3203 
1 1 1  -13   10   47 o  1156.08   96.049   22.415   3.4454   24.756   4.2843   18.127   5.7969  1197.92  115.656  938.254  203.197 259.6689 233.8060 
1 1 1  -13   10   49 o  2808.55  113.794  139.624   10.007  132.493   12.304  153.563   17.201  2623.49  150.405  2592.09  213.837 31.39429 261.4346 
1 1 1  -13   10   51 o  2581.07  109.820  122.992   8.8756  123.559   10.910  121.882   15.264  2463.33  142.041  2048.16  242.723 415.1655 281.2296 
1 1 1  -13   10   53 o  3021.30  137.474  198.318   13.006  192.100   15.986  210.488   22.366  2623.88  195.990  1692.89  423.100 930.9905 466.2892 
1 1 1  -13   10   55 o  1040.67  154.160   27.565   4.8715   27.565   4.8715   0.0000   0.0000  1040.67  154.160  ?   ?  0.000000 154.1601 
1 1 1  -13   10   57 o  2383.72  137.266  147.295   10.202  156.193   12.556  130.009   17.501  2079.18  195.150  551.345  272.865 1527.838 335.4687 
1 1 1  -13   10   59 o  914.874  134.438   23.460   3.7364   20.091   4.6308   29.745   6.3247  581.626  204.759  541.123  225.328 40.50256 304.4651 
1 1 1  -13   11    2 o  1497.87   83.396   35.462   3.8959   33.997   4.7937   38.312   6.6866  1462.35  105.395  1544.35  139.790 -81.99390 175.0696 
1 1 1  -13   11    4 o  2361.91   92.630   88.030   6.8507   85.621   8.4021   92.808   11.833  2324.33  115.445  2402.36  158.183 -78.02417 195.8299 
1 1 1  -13   11    6 o  2332.01   90.653   85.796   6.6196   90.703   8.1269   76.123   11.411  2393.85  108.420  2170.14  169.259 223.7073 201.0061 
1 1 1  -13   11    8 o  1809.19   85.860   51.613   4.8640   50.623   5.9841   53.539   8.3502  1785.04  107.563  1824.50  147.422 -39.45996 182.4917 
1 1 1  -13   11   10 o  364.146  108.482   2.1273   1.3295   1.0967   1.6556   3.9987   2.2310  315.355  120.435  493.605  138.632 -178.2500 183.6397 
1 1 1  -13   11   12 f  2266.74   92.782   81.215   6.5854   77.072   8.0881   89.362   11.343  2198.75  117.907  2353.19  154.803 -154.4312 194.5913 
1 1 1  -13   11   14 o  1072.94  100.395   18.398   3.3337   16.309   4.7606   20.408   4.6698  994.439  158.184  1121.58  135.733 -127.1415 208.4362 
1 1 1  -13   11   16 o  362.126  138.736   1.4679   2.2014   1.4679   2.2014   0.0000   0.0000  362.126  138.736  ?   ?  0.000000 138.7362 
1 1 1  -13   11   18 o  2086.58  110.484   69.549   7.1929   70.858   10.210   68.260   10.135  2085.05  157.553  2045.28  159.508 39.76941 224.2004 
1 1 1  -13   11   20 o  2246.62  113.392   80.796   7.9510   82.625   11.249   78.970   11.240  2247.31  160.919  2194.54  164.776 52.77368 230.3166 
1 1 1  -13   11   22 o  774.377  112.264   9.7762   2.6428   9.2584   3.7577   10.283   3.7175  738.113  166.543  781.360  157.387 -43.24695 229.1448 
1 1 1  -13   11   24 o  1781.60  106.812   50.963   5.9311   50.784   8.3865   51.143   8.3893  1755.19  154.156  1761.71  153.617 -6.521851 217.6290 
1 1 1  -13   11   26 o  1348.20  102.926   29.295   4.3123   29.604   6.1264   28.991   6.0709  1334.96  149.108  1320.77  149.423 14.18982 211.0934 
1 1 1  -13   11   28 o  1019.05  106.014   16.908   3.3333   16.110   4.7043   17.713   4.7237  971.452  160.240  1023.58  151.999 -52.12341 220.8626 
1 1 1  -13   11   30 o  927.252  105.174   14.059   2.9996   15.224   4.2170   12.866   4.2678  947.377  146.912  861.411  164.219 85.96515 220.3427 
1 1 1  -13   11   32 o  657.363  117.535   7.2335   2.3305   7.0216   3.2414   7.4602   3.3531  633.119  162.643  652.071  164.293 -18.95264 231.1818 
1 1 1  -13   11   34 o  2413.59  118.511   94.999   8.9566   98.301   12.719   91.751   12.615  2400.17  170.342  2312.72  175.503 87.45508 244.5768 
1 1 1  -13   11   36 f  1248.54  106.666   25.423   4.1301   25.104   5.9075   25.729   5.7763  1211.76  159.574  1230.88  153.185 -19.12402 221.2003 
1 1 1  -13   11   38 o  947.932  113.620   14.867   3.3053   13.415   4.7646   16.213   4.5891  865.674  181.573  968.572  156.661 -102.8982 239.8153 
1 1 1  -13   11   40 o  4745.79  194.008  404.805   28.830  393.408   40.801  416.170   40.743  4284.60  306.135  4453.99  293.784 -169.3892 424.2964 
1 1 1  -13   11   42 o  1405.69  110.879   32.802   4.8408   25.686   6.8801   39.779   6.8122  1178.24  193.184  1519.24  144.960 -340.9969 241.5227 
1 1 1  -13   11   44 o  4222.71  179.917  324.792   23.789  318.678   33.678  330.881   33.608  3799.10  285.190  3904.06  276.715 -104.9636 397.3719 
1 1 1  -13   11   46 o  2243.96  120.242   86.103   8.4180   76.364   11.847   96.034   11.964  1987.34  192.802  2279.68  168.799 -292.3342 256.2534 
1 1 1  -13   11   48 o  1743.52  114.854   53.208   6.2352   48.190   8.7340   58.424   8.9044  1538.17  185.052  1731.91  166.238 -193.7343 248.7556 
1 1 1  -13   11   50 o  1746.70  118.243   56.424   6.4290   46.636   8.9873   66.682   9.2005  1370.90  216.558  1768.33  168.188 -397.4271 274.1977 
1 1 1  -13   11   52 o  543.294  157.233   6.9749   2.8277   7.4893   3.7554   6.3012   4.2972  514.670  184.046  459.025  187.888 55.64542 263.0108 
1 1 1  -13   11   54 o  1654.50  129.534   59.604   6.6571   49.561   9.2062   70.610   9.6378  1054.17  275.749  1503.02  210.562 -448.8514 346.9496 
1 1 1  -13   11   56 o  1677.08  147.372   72.562   7.6605   65.240   10.672   80.345   11.003  880.839  310.754  1168.49  299.380 -287.6541 431.5048 
1 1 1  -13   11   58 o  629.416  176.957   14.524   3.6330   11.421   4.8806   18.381   5.4408  392.248  178.996  486.673  206.201 -94.42487 273.0538 
1 1 1  -13   12    1 o  2434.84  115.870   94.100   8.8340   99.726   12.537   88.551   12.450  2485.66  161.962  2337.49  171.290 148.1670 235.7365 
1 1 1  -13   12    3 o  819.570  105.147   10.802   2.6361   9.9022   3.7335   11.697   3.7227  771.907  159.731  843.910  146.171 -72.00269 216.5181 
1 1 1  -13   12    5 o  2570.76   96.629  104.454   7.7784  102.629   9.5439  108.065   13.424  2541.74  119.917  2585.96  166.667 -44.21851 205.3242 
1 1 1  -13   12    7 o  1631.91  104.228   42.332   5.2982   42.910   7.5544   41.771   7.4326  1630.24  149.660  1608.43  149.281 21.81738 211.3826 
1 1 1  -13   12    9 o  1231.90  102.043   24.186   3.9007   22.379   5.6181   25.867   5.4202  1170.41  157.279  1265.06  139.129 -94.65356 209.9843 
1 1 1  -13   12   11 o  1144.56  153.030   21.396   5.3471   21.396   5.3471   0.0000   0.0000  1144.56  153.030  ?   ?  0.000000 153.0301 
1 1 1  -13   12   13 o  2467.01  116.702   96.852   9.0150   99.010   12.794   94.724   12.705  2468.77  166.475  2413.08  169.213 55.69360 237.3758 
1 1 1  -13   12   15 o  903.058  151.950   13.469   4.1441   13.469   4.1441   0.0000   0.0000  903.058  151.950  ?   ?  0.000000 151.9504 
1 1 1  -13   12   17 o  1216.58  101.297   23.650   3.8238   23.316   5.5176   23.958   5.3039  1193.45  151.029  1212.87  142.365 -19.41895 207.5510 
1 1 1  -13   12   19 o  867.980  106.475   12.161   2.8331   12.266   4.0980   12.065   3.9212  857.170  158.519  851.719  152.637 5.451416 220.0602 
1 1 1  -13   12   21 o  882.874  105.052   12.587   2.8471   16.484   4.0298   8.7027   4.0232  1004.36  131.279  713.570  180.059 290.7886 222.8347 
1 1 1  -13   12   23 o  1979.81  108.830   62.880   6.7208   67.451   9.5462   58.389   9.4637  2028.37  151.394  1880.15  162.342 148.2144 221.9795 
1 1 1  -13   12   25 o  929.955  108.100   14.050   3.0891   12.783   4.3828   15.302   4.3545  865.217  167.829  955.781  150.477 -90.56458 225.4107 
1 1 1  -13   12   27 o  685.784  122.630   7.8395   2.5366   5.5624   3.7333   9.7924   3.4573  573.600  183.708  758.335  150.908 -184.7350 237.7434 
1 1 1  -13   12   29 o  1921.12  110.042   59.804   6.5920   55.020   9.3142   64.605   9.3309  1803.56  166.820  1966.90  152.700 -163.3485 226.1553 
1 1 1  -13   12   31 o  1331.64  104.709   28.731   4.3308   27.782   6.1714   29.653   6.0791  1283.17  156.863  1331.05  148.382 -47.88367 215.9239 
1 1 1  -13   12   33 o  838.765  112.070   11.555   2.8698   14.303   4.1455   9.0251   3.9767  919.791  149.035  716.873  177.982 202.9177 232.1401 
1 1 1  -13   12   35 o  1362.41  105.143   30.103   4.4507   32.394   6.4086   27.968   6.1859  1389.81  149.620  1286.30  156.830 103.5089 216.7525 
1 1 1  -13   12   37 o  1836.05  110.604   54.926   6.3291   52.425   8.9728   57.402   8.9287  1752.16  165.506  1842.11  156.269 -89.94788 227.6231 
1 1 1  -13   12   39 o  2698.79  127.163  120.493   10.746  118.080   15.243  122.879   15.152  2583.71  189.734  2644.61  184.124 -60.90332 264.3870 
1 1 1  -13   12   41 f  732.603  133.004   9.2119   2.9387   7.7282   4.3026   10.509   4.0233  645.843  195.779  763.188  172.424 -117.3452 260.8820 
1 1 1  -13   12   43 o  3312.27  145.771  188.067   15.119  185.055   21.420  191.057   21.343  3111.45  221.296  3175.16  215.952 -63.71069 309.2039 
1 1 1  -13   12   45 o  2259.32  121.640   86.580   8.5737   76.947   12.147   96.144   12.103  2013.04  195.153  2300.82  169.188 -287.7762 258.2810 
1 1 1  -13   12   47 o  2525.87  130.834  113.048   10.312  104.163   14.604  121.882   14.563  2226.32  212.061  2471.15  189.659 -244.8291 284.5000 
1 1 1  -13   12   49 o  2246.97  127.504   93.418   8.9340   81.837   12.559  105.280   12.711  1842.81  222.131  2205.60  185.784 -362.7867 289.5821 
1 1 1  -13   12   51 o  2635.61  149.255  145.921   12.267  127.087   17.268  165.109   17.430  1833.95  311.867  2396.47  235.307 -562.5203 390.6793 
1 1 1  -13   12   53 o  2696.27  178.178  186.122   14.958  172.222   21.097  200.173   21.211  1381.44  436.115  1853.93  378.199 -472.4875 577.2614 
1 1 1  -13   12   55 o  573.069  167.780   9.4691   3.2032   8.9058   4.2393   10.219   4.8902  467.574  188.361  467.364  196.613 0.2101440 272.2806 
1 1 1  -13   12   57 o  1702.38  165.463   85.950   8.7087   90.224   12.179   81.478   12.457  934.159  331.723  723.854  309.510 210.3054 453.6917 
1 1 1  -13   12   59 o  338.892  148.712   5.5139   3.0306   6.5386   3.8729   3.8955   4.8673  327.754  153.012  281.473  140.078 46.28156 207.4474 
1 1 1  -13   13    4 o  1554.43  148.438   39.019   7.1371   0.0000   0.0000   39.019   7.1371  ?   ?   1554.43  148.438 0.000000 148.4381 
1 1 1  -13   13    6 o  1488.36  147.198   35.790   6.7701   0.0000   0.0000   35.790   6.7701  ?   ?   1488.36  147.198 0.000000 147.1983 
1 1 1  -13   13    8 o  4177.23  232.707  289.761   30.317   0.0000   0.0000  289.761   30.317  ?   ?   4177.23  232.707 0.000000 232.7071 
1 1 1  -13   13   10 o  361.490  140.288   1.3499   2.2721   0.0000   0.0000   1.3499   2.2721  ?   ?   361.490  140.288 0.000000 140.2885 
1 1 1  -13   13   12 o  686.207  169.894   7.9068   3.6311   7.9068   3.6311   0.0000   0.0000  686.207  169.894  ?   ?  0.000000 169.8939 
1 1 1  -13   13   14 f  1585.61  153.119   40.816   7.5077   40.816   7.5077   0.0000   0.0000  1585.61  153.119  ?   ?  0.000000 153.1191 
1 1 1  -13   13   16 o  1518.14  103.141   36.740   4.8739   40.347   7.0339   33.409   6.7597  1578.37  143.904  1431.91  153.138 146.4645 210.1418 
1 1 1  -13   13   18 o  482.969  131.866   3.8619   2.0502   3.6930   3.0982   3.9936   2.7346  492.348  167.762  498.236  156.983 -5.888214 229.7563 
1 1 1  -13   13   20 o  1786.03  105.643   50.975   5.8818   56.102   8.4579   46.174   8.1851  1857.01  146.650  1678.76  157.553 178.2534 215.2423 
1 1 1  -13   13   22 o  2085.18  159.963   71.506   10.365   0.0000   0.0000   71.506   10.365  ?   ?   2085.18  159.963 0.000000 159.9630 
1 1 1  -13   13   24 o  1553.85  103.802   38.786   5.0214   41.478   7.1263   36.131   7.0766  1588.51  144.863  1476.52  155.395 111.9882 212.4454 
1 1 1  -13   13   26 o  2002.30  110.618   64.659   6.9085   69.163   9.7929   60.196   9.7474  2043.50  154.181  1897.75  165.696 145.7484 226.3336 
1 1 1  -13   13   28 o  1215.66  105.645   23.899   3.9814   17.782   5.6387   29.981   5.6225  1014.12  184.361  1349.82  134.830 -335.6906 228.4031 
1 1 1  -13   13   30 o  1379.92  105.647   30.739   4.5302   33.323   6.4654   28.247   6.3495  1417.29  147.863  1297.85  159.605 119.4462 217.5711 
1 1 1  -13   13   32 o  3630.02  148.348  216.738   16.862  216.629   23.853  216.848   23.839  3529.25  216.899  3531.46  216.634 -2.207275 306.5541 
1 1 1  -13   13   34 o  656.851  130.164   7.2538   2.5825   7.1964   3.6412   7.3118   3.6634  643.110  175.792  648.046  175.990 -4.935242 248.7475 
1 1 1  -13   13   36 o  676.417  130.524   7.7180   2.6644   5.9078   3.7835   9.4988   3.7527  585.590  184.666  738.662  166.259 -153.0717 248.4829 
1 1 1  -13   13   38 o  1687.92  110.468   46.473   5.8063   39.163   8.2543   53.633   8.1691  1500.98  179.168  1786.61  147.340 -285.6378 231.9701 
1 1 1  -13   13   40 o  2147.36  116.510   75.813   7.8047   72.879   11.057   78.726   11.018  2046.41  174.216  2137.10  165.950 -90.68750 240.6052 
1 1 1  -13   13   42 o  1742.12  166.137   52.997   8.9530   52.997   8.9530   0.0000   0.0000  1742.12  166.137  ?   ?  0.000000 166.1369 
1 1 1  -13   13   44 o  2992.61  137.827  153.109   12.915  144.415   18.284  161.767   18.246  2743.56  214.542  2940.85  199.317 -197.2925 292.8403 
1 1 1  -13   13   46 o  1813.86  116.557   56.349   6.5850   54.335   9.3089   58.366   9.3162  1687.60  178.888  1762.76  170.932 -75.15308 247.4242 
1 1 1  -13   13   48 o  1158.76  122.197   24.197   4.3669   27.492   6.0958   20.725   6.2588  1166.40  172.074  949.553  215.445 216.8414 275.7279 
1 1 1  -13   13   50 o  2223.73  133.814   95.953   9.2741   96.401   13.067   95.498   13.164  1948.16  217.947  1923.79  222.653 24.36292 311.5690 
1 1 1  -13   13   52 o  625.724  162.030   9.1971   3.1998   9.4538   4.2744   8.8698   4.8260  563.494  196.822  519.302  203.644 44.19275 283.2129 
1 1 1  -13   13   54 o  530.604  198.439   10.284   4.4406   10.284   4.4406   0.0000   0.0000  530.604  198.439  ?   ?  0.000000 198.4390 
1 1 1  -13   13   56 o  2085.14  164.205  119.779   10.634  106.913   14.848  133.332   15.238  902.976  356.209  1317.13  359.453 -414.1535 506.0543 
1 1 1  -13   13   58 o  862.625  166.973   23.149   4.3471   21.094   5.7509   25.889   6.6399  536.435  218.211  535.316  227.355 1.118408 315.1286 
1 1 1  -13   14    1 o  1469.84  148.977   34.909   6.7618   0.0000   0.0000   34.909   6.7618  ?   ?   1469.84  148.977 0.000000 148.9770 
1 1 1  -13   14    3 o  2081.90  110.838   68.884   7.1994   76.537   10.281   61.520   10.085  2181.11  151.473  1948.63  166.894 232.4733 225.3835 
1 1 1  -13   14    5 o  930.551  109.446   13.903   3.1281   20.306   4.8108   9.2123   4.1173  1119.55  140.312  740.814  179.404 378.7407 227.7570 
1 1 1  -13   14    7 o  1084.53  105.108   18.792   3.5246   22.790   5.2324   15.472   4.7689  1185.82  143.862  968.780  162.994 217.0419 217.4012 
1 1 1  -13   14    9 o  1193.04  148.839   23.131   5.4392   0.0000   0.0000   23.131   5.4392  ?   ?   1193.04  148.839 0.000000 148.8388 
1 1 1  -13   14   11 o  1013.35  152.421   16.823   4.6866   0.0000   0.0000   16.823   4.6866  ?   ?   1013.35  152.421 0.000000 152.4205 
1 1 1  -13   14   13 o  1929.05  155.527   60.248   9.3145   0.0000   0.0000   60.248   9.3145  ?   ?   1929.05  155.527 0.000000 155.5267 
1 1 1  -13   14   15 o  1278.78  149.241   26.634   5.8635   0.0000   0.0000   26.634   5.8635  ?   ?   1278.78  149.241 0.000000 149.2410 
1 1 1  -13   14   17 o  1358.06  147.540   30.041   6.1731   0.0000   0.0000   30.041   6.1731  ?   ?   1358.06  147.540 0.000000 147.5403 
1 1 1  -13   14   19 o  394.231  147.160   1.9588   2.4399   0.0000   0.0000   1.9588   2.4399  ?   ?   394.231  147.160 0.000000 147.1597 
1 1 1  -13   14   21 o  1166.59  148.443   22.415   5.2996   0.0000   0.0000   22.415   5.2996  ?   ?   1166.59  148.443 0.000000 148.4432 
1 1 1  -13   14   23 o  1286.97  154.086   27.410   6.0860   27.410   6.0860   0.0000   0.0000  1286.97  154.086  ?   ?  0.000000 154.0863 
1 1 1  -13   14   25 o  1285.85  107.376   26.646   4.2838   27.343   6.1781   26.001   5.9449  1282.50  157.131  1251.18  155.065 31.32117 220.7608 
1 1 1  -13   14   27 o  361.667  136.857   1.5896   2.1255   1.8234   3.2622   1.4172   2.8019  421.917  166.799  387.044  154.086 34.87262 227.0777 
1 1 1  -13   14   29 o  733.010  133.914   8.9515   2.9604   5.7868   4.4872   11.391   3.9393  596.812  201.902  820.594  159.054 -223.7817 257.0264 
1 1 1  -13   14   31 o  2744.13  125.582  121.637   10.791  125.899   15.333  117.455   15.189  2743.47  179.479  2644.71  184.567 98.76221 257.4443 
1 1 1  -13   14   33 o  2266.03  116.982   82.976   8.2721   81.561   11.766   84.360   11.633  2207.71  171.544  2249.75  166.309 -42.03076 238.9272 
1 1 1  -13   14   35 o  2832.78  128.510  130.699   11.399  126.462   16.127  134.929   16.115  2719.15  190.610  2817.46  183.666 -98.30664 264.6986 
1 1 1  -13   14   37 o  2793.91  128.191  127.745   11.215  126.538   15.886  128.944   15.834  2708.78  188.470  2738.02  185.784 -29.24512 264.6443 
1 1 1  -13   14   39 o  1104.79  114.177   20.059   3.8928   20.416   5.5668   19.718   5.4458  1085.55  169.294  1066.90  168.617 18.65430 238.9395 
1 1 1  -13   14   41 o  3453.88  147.491  200.905   15.951  197.959   22.591  203.834   22.526  3283.89  220.986  3342.41  216.389 -58.52026 309.2876 
1 1 1  -13   14   43 o  1814.35  114.978   54.642   6.4983   53.850   9.2120   55.427   9.1682  1743.12  170.976  1773.14  167.100 -30.02161 239.0719 
1 1 1  -13   14   45 o  2184.10  119.871   81.222   8.1666   67.938   11.461   94.922   11.639  1872.38  198.516  2284.09  163.830 -411.7126 257.3885 
1 1 1  -13   14   47 o  1415.99  118.087   35.256   5.1880   32.501   7.2582   38.134   7.4183  1258.70  190.079  1388.91  174.420 -130.2073 257.9771 
1 1 1  -13   14   49 o  631.673  165.922   8.5139   3.3242   9.5649   4.6372   7.4029   4.7677  616.149  205.245  540.532  204.866 75.61700 289.9921 
1 1 1  -13   14   51 o  1185.13  129.433   27.603   4.7251   24.779   6.5196   30.728   6.8578  946.421  223.559  1096.74  207.287 -150.3226 304.8709 
1 1 1  -13   14   53 o  365.728  160.836   2.8584   3.5618   2.8584   3.5618   0.0000   0.0000  365.728  160.836  ?   ?  0.000000 160.8361 
1 1 1  -13   14   55 o  1633.14  139.781   61.536   7.0792   60.977   9.7303   62.165   10.318  1219.60  262.567  1131.12  289.974 88.47607 391.1856 
1 1 1  -13   14   57 o  2145.48  245.792  204.636   16.214  195.102   22.745  214.489   23.121  587.611  294.026  636.627  314.815 -49.01526 430.7663 
1 1 1  -13   15    2 f  1025.76  172.748   17.386   5.3514   17.386   5.3514   0.0000   0.0000  1025.76  172.748  ?   ?  0.000000 172.7478 
1 1 1  -13   15    4 f  1692.83  111.144   45.609   5.8587   45.940   8.3337   45.286   8.2380  1684.53  159.912  1672.62  159.213 11.91077 225.6560 
1 1 1  -13   15    6 o  1719.77  108.680   47.040   5.8223   45.177   8.3332   48.816   8.1383  1669.60  161.412  1739.70  150.891 -70.09656 220.9569 
1 1 1  -13   15    8 o  874.837  161.570   12.668   4.2629   0.0000   0.0000   12.668   4.2629  ?   ?   874.837  161.570 0.000000 161.5697 
1 1 1  -13   15   10 o  2402.50  170.373   93.626   12.734   93.626   12.734   0.0000   0.0000  2402.50  170.373  ?   ?  0.000000 170.3729 
1 1 1  -13   15   12 o  897.779  112.838   12.994   3.1020   14.415   4.6674   11.870   4.1515  932.258  165.973  844.838  162.839 87.42065 232.5158 
1 1 1  -13   15   14 o  1501.86  155.727   36.712   7.2169   36.712   7.2169   0.0000   0.0000  1501.86  155.727  ?   ?  0.000000 155.7267 
1 1 1  -13   15   16 o  1969.15  157.607   63.083   9.6364   0.0000   0.0000   63.083   9.6364  ?   ?   1969.15  157.607 0.000000 157.6071 
1 1 1  -13   15   18 o  2513.72  172.611  103.666   13.504   0.0000   0.0000  103.666   13.504  ?   ?   2513.72  172.611 0.000000 172.6106 
1 1 1  -13   15   22 o  1348.31  151.496   29.875   6.2853   0.0000   0.0000   29.875   6.2853  ?   ?   1348.31  151.496 0.000000 151.4961 
1 1 1  -13   15   26 o  2054.90  162.360   69.400   10.362   0.0000   0.0000   69.400   10.362  ?   ?   2054.90  162.360 0.000000 162.3600 
1 1 1  -13   15   28 o  2581.18  177.460  110.263   14.256   0.0000   0.0000  110.263   14.256  ?   ?   2581.18  177.460 0.000000 177.4604 
1 1 1  -13   15   30 o  1466.54  108.829   34.551   4.9619   33.552   7.0874   35.511   6.9490  1423.56  161.876  1468.96  153.335 -45.39734 222.9702 
1 1 1  -13   15   32 o  1533.65  110.505   37.871   5.2712   37.004   7.6053   38.674   7.3124  1490.73  165.734  1530.05  154.758 -39.32190 226.7550 
1 1 1  -13   15   34 o  1238.15  111.845   24.835   4.2894   28.907   6.2802   21.275   5.8725  1317.17  155.254  1119.37  173.134 197.8002 232.5489 
1 1 1  -13   15   36 o  2149.90  117.334   74.983   7.8689   72.738   11.222   77.155   11.037  2074.42  174.383  2144.43  165.651 -70.00513 240.5195 
1 1 1  -13   15   38 o  3443.13  218.800  210.102   23.467  210.102   23.467   0.0000   0.0000  3443.13  218.800  ?   ?  0.000000 218.7999 
1 1 1  -13   15   40 o  448.372  182.990   1.9031   4.0610   1.9031   4.0610   0.0000   0.0000  448.372  182.990  ?   ?  0.000000 182.9895 
1 1 1  -13   15   42 o  2258.22  121.956   84.593   8.5916   79.944   12.216   89.144   12.086  2118.50  186.034  2256.73  172.341 -138.2307 253.5947 
1 1 1  -13   15   44 o  2928.32  138.871  148.002   12.733  137.486   18.058  158.403   17.959  2639.46  220.507  2886.32  199.938 -246.8567 297.6548 
1 1 1  -13   15   46 o  1321.33  123.672   30.639   5.0573   32.982   7.2476   28.415   7.0602  1292.62  184.280  1181.27  197.874 111.3539 270.3949 
1 1 1  -13   15   48 o  1196.77  207.132   32.088   7.4810   32.088   7.4810   0.0000   0.0000  1196.77  207.132  ?   ?  0.000000 207.1315 
1 1 1  -13   15   50 o  1423.74  124.424   38.238   5.4912   32.547   7.5864   44.500   7.9585  1127.36  222.808  1402.89  185.738 -275.5299 290.0721 
1 1 1  -13   15   52 o  1175.76  222.083   38.724   7.8765   38.724   7.8765   0.0000   0.0000  1175.76  222.083  ?   ?  0.000000 222.0834 
1 1 1  -13   15   54 o  1845.93  143.748   76.294   8.2432   79.947   11.490   72.421   11.832  1495.36  254.517  1258.81  303.691 236.5588 396.2415 
1 1 1  -13   15   56 o  1161.80  145.981   32.981   5.1934   28.742   6.7858   38.974   8.0687  772.312  247.712  852.753  269.757 -80.44080 366.2372 
1 1 1  -13   16    1 o  1287.48  162.339   27.047   6.3991   27.047   6.3991   0.0000   0.0000  1287.48  162.339  ?   ?  0.000000 162.3392 
1 1 1  -13   16    3 o  1083.93  177.118   19.430   5.8038   19.430   5.8038   0.0000   0.0000  1083.93  177.118  ?   ?  0.000000 177.1178 
1 1 1  -13   16    7 o  2059.44  164.141   68.688   10.497   68.688   10.497   0.0000   0.0000  2059.44  164.141  ?   ?  0.000000 164.1411 
1 1 1  -13   16    9 o  386.573  163.810   0.2591   3.4344   0.0000   0.0000   0.2591   3.4344  ?   ?   386.573  163.810 0.000000 163.8098 
1 1 1  -13   16   11 o  1600.98  112.042   40.898   5.5813   42.755   7.9001   39.048   7.8863  1622.60  157.473  1547.18  165.346 75.42456 228.3356 
1 1 1  -13   16   13 o  373.735  162.073  -0.3466   3.5094  -0.3466   3.5094   0.0000   0.0000  373.735  162.073  ?   ?  0.000000 162.0731 
1 1 1  -13   16   15 o  658.664  138.011   7.2052   2.7553   4.0856   4.1581   9.6471   3.6789  536.415  193.460  759.283  159.794 -222.8687 250.9201 
1 1 1  -13   16   17 o  471.631  147.668   3.5680   2.4239  -0.2628   3.6611   6.5581   3.2344  383.197  165.856  624.604  163.474 -241.4078 232.8782 
1 1 1  -13   16   21 o  958.705  112.094   14.835   3.3015   22.218   4.9119   8.7507   4.4589  1168.47  136.843  716.346  194.001 452.1226 237.4073 
1 1 1  -13   16   23 o  1517.07  107.341   36.793   5.0661   38.894   7.3311   34.872   7.0089  1543.74  153.706  1460.25  155.688 83.48938 218.7790 
1 1 1  -13   16   25 o  2541.71  175.919  105.971   13.915   0.0000   0.0000  105.971   13.915  ?   ?   2541.71  175.919 0.000000 175.9186 
1 1 1  -13   16   27 o  1249.23  162.918   25.745   6.2211   0.0000   0.0000   25.745   6.2211  ?   ?   1249.23  162.918 0.000000 162.9178 
1 1 1  -13   16   31 o  2763.97  184.496  127.066   15.876   0.0000   0.0000  127.066   15.876  ?   ?   2763.97  184.496 0.000000 184.4962 
1 1 1  -13   16   33 o  886.992  186.070   13.552   5.0030   0.0000   0.0000   13.552   5.0030  ?   ?   886.992  186.070 0.000000 186.0704 
1 1 1  -13   16   35 o  3284.75  206.313  184.779   21.112   0.0000   0.0000  184.779   21.112  ?   ?   3284.75  206.313 0.000000 206.3129 
1 1 1  -13   16   37 o  2141.33  171.392   77.131   11.396   0.0000   0.0000   77.131   11.396  ?   ?   2141.33  171.392 0.000000 171.3922 
1 1 1  -13   16   39 o  1365.67  172.779   31.940   7.2232   0.0000   0.0000   31.940   7.2232  ?   ?   1365.67  172.779 0.000000 172.7787 
1 1 1  -13   16   41 o  2316.05  122.699   88.550   8.8666   91.051   12.617   86.111   12.463  2285.52  177.699  2218.22  181.007 67.29907 253.6541 
1 1 1  -13   16   43 o  2698.93  132.512  123.677   11.199  117.006   15.863  130.306   15.811  2489.26  205.352  2657.00  191.327 -167.7400 280.6702 
1 1 1  -13   16   45 o  539.607  206.979   5.5704   4.9034   5.5704   4.9034   0.0000   0.0000  539.607  206.979  ?   ?  0.000000 206.9788 
1 1 1  -13   16   47 o  1746.31  127.196   54.717   6.9074   52.431   9.8542   56.925   9.6851  1559.76  206.869  1660.23  189.710 -100.4651 280.6857 
1 1 1  -13   16   49 o  601.474  183.175   8.2192   3.7601   7.8629   5.2304   8.6004   5.4093  549.643  212.978  567.148  217.429 -17.50470 304.3600 
1 1 1  -13   16   51 o  483.393  201.474   6.4905   5.0631   6.4905   5.0631   0.0000   0.0000  483.393  201.474  ?   ?  0.000000 201.4736 
1 1 1  -13   16   53 f  1629.32  139.646   56.070   7.0556   53.967   9.7879   58.345   10.180  1282.00  252.813  1333.80  253.002 -51.80530 357.6654 
1 1 1  -13   16   55 o  1475.40  148.371   51.075   6.7615   47.975   9.2580   54.620   9.8987  1019.34  281.002  1080.95  287.467 -61.61487 401.9941 
1 1 1  -13   17    2 o  1423.69  115.310   32.371   5.0963   35.280   7.1266   29.326   7.2907  1474.88  156.716  1336.11  178.743 138.7705 237.7163 
1 1 1  -13   17    4 o  2458.81  174.510   98.082   13.348   98.082   13.348   0.0000   0.0000  2458.81  174.510  ?   ?  0.000000 174.5096 
1 1 1  -13   17    6 o  1677.71  165.827   45.737   8.5974   45.737   8.5974   0.0000   0.0000  1677.71  165.827  ?   ?  0.000000 165.8271 
1 1 1  -13   17    8 o  547.289  199.061   4.1299   4.4159   4.1299   4.4159   0.0000   0.0000  547.289  199.061  ?   ?  0.000000 199.0612 
1 1 1  -13   17   10 f  1141.89  171.514   21.488   5.9430   21.488   5.9430   0.0000   0.0000  1141.89  171.514  ?   ?  0.000000 171.5145 
1 1 1  -13   17   12 o  1232.46  170.929   24.978   6.4188   24.978   6.4188   0.0000   0.0000  1232.46  170.929  ?   ?  0.000000 170.9286 
1 1 1  -13   17   14 o  890.478  134.702   12.940   3.6385   13.676   5.1404   12.200   5.1510  901.033  188.265  847.893  197.660 53.14032 272.9707 
1 1 1  -13   17   16 o  831.653  143.017   11.378   3.5900   11.797   4.9904   10.929   5.1684  834.020  194.642  801.024  205.159 32.99573 282.7996 
1 1 1  -13   17   18 o  934.250  194.639   14.747   5.5091   0.0000   0.0000   14.747   5.5091  ?   ?   934.250  194.639 0.000000 194.6386 
1 1 1  -13   17   20 o  2416.10  118.047   92.881   8.9308   96.878   12.718   88.993   12.544  2442.79  167.275  2338.15  172.555 104.6404 240.3254 
1 1 1  -13   17   22 f  1346.96  108.833   28.977   4.5510   32.940   6.6219   25.429   6.2651  1424.44  150.755  1245.15  164.735 179.2903 223.3043 
1 1 1  -13   17   24 o  918.908  185.085   14.205   5.1414   14.205   5.1414   0.0000   0.0000  918.908  185.085  ?   ?  0.000000 185.0850 
1 1 1  -13   17   26 o  989.557  180.359   16.399   5.3826   16.399   5.3826   0.0000   0.0000  989.557  180.359  ?   ?  0.000000 180.3590 
1 1 1  -13   17   28 o  1955.55  114.573   61.153   6.9850   66.734   9.8912   55.601   9.8655  2024.84  157.238  1839.66  173.306 185.1864 234.0062 
1 1 1  -13   17   30 o  557.547  202.914   4.4492   4.5895   4.4492   4.5895   0.0000   0.0000  557.547  202.914  ?   ?  0.000000 202.9140 
1 1 1  -13   17   32 o  3810.67  225.549  247.539   26.793   0.0000   0.0000  247.539   26.793  ?   ?   3810.67  225.549 0.000000 225.5494 
1 1 1  -13   17   34 o  1203.12  179.440   24.438   6.5532   0.0000   0.0000   24.438   6.5532  ?   ?   1203.12  179.440 0.000000 179.4404 
1 1 1  -13   17   36 f  508.224  193.549   3.3695   4.2685   0.0000   0.0000   3.3695   4.2685  ?   ?   508.224  193.549 0.000000 193.5490 
1 1 1  -13   17   38 o  3890.08  238.785  270.500   28.945   0.0000   0.0000  270.500   28.945  ?   ?   3890.08  238.785 0.000000 238.7849 
1 1 1  -13   17   40 o  1469.69  177.850   37.550   8.0180   0.0000   0.0000   37.550   8.0180  ?   ?   1469.69  177.850 0.000000 177.8496 
1 1 1  -13   17   42 o  1536.39  181.956   42.622   8.5835   0.0000   0.0000   42.622   8.5835  ?   ?   1536.39  181.956 0.000000 181.9556 
1 1 1  -13   17   44 o  2081.53  190.687   82.758   12.290   0.0000   0.0000   82.758   12.290  ?   ?   2081.53  190.687 0.000000 190.6870 
1 1 1  -13   17   46 f  1639.60  195.502   54.621   9.8391   0.0000   0.0000   54.621   9.8391  ?   ?   1639.60  195.502 0.000000 195.5019 
1 1 1  -13   17   48 o  770.976  240.950   15.713   6.4570   0.0000   0.0000   15.713   6.4570  ?   ?   770.976  240.950 0.000000 240.9504 
1 1 1  -13   17   52 f  275.457  132.942  -2.6011   3.4503  -4.5260   4.6001  -0.1256   5.2167  292.323  143.764  357.506  170.114 -65.18365 222.7257 
1 1 1  -13   17   54 o  1234.59  261.826   54.673   9.8078   54.673   9.8078   0.0000   0.0000  1234.59  261.826  ?   ?  0.000000 261.8258 
1 1 1  -13   18    1 o  1124.00  122.310   20.274   4.2353   26.057   5.9811   14.458   5.9981  1267.89  153.802  925.076  211.656 342.8130 261.6357 
1 1 1  -13   18    3 o  386.334  155.318   1.1559   2.8760   2.1053   3.8814  -0.0000   4.2828  463.910  182.404  423.472  181.286 40.43750 257.1694 
1 1 1  -13   18    5 o  614.792  204.858   5.8836   4.6196   0.0000   0.0000   5.8836   4.6196  ?   ?   614.792  204.858 0.000000 204.8579 
1 1 1  -13   18    7 o  706.251  160.774   8.3032   3.4756   8.2292   4.9439   8.3756   4.8872  704.473  209.038  709.545  207.100 -5.072571 294.2569 
1 1 1  -13   18    9 o  563.164  173.836   5.1148   3.3727   13.791   4.7280  -3.8745   4.8125  912.068  171.855  373.207  172.983 538.8606 243.8386 
1 1 1  -13   18   11 o  1018.78  192.082   17.316   5.9028   17.316   5.9028   0.0000   0.0000  1018.78  192.082  ?   ?  0.000000 192.0819 
1 1 1  -13   18   13 o  1764.95  165.445   50.445   9.0366   50.445   9.0366   0.0000   0.0000  1764.95  165.445  ?   ?  0.000000 165.4453 
1 1 1  -13   18   15 o  501.821  190.282   3.0145   4.1143   3.0145   4.1143   0.0000   0.0000  501.821  190.282  ?   ?  0.000000 190.2817 
1 1 1  -13   18   19 o  789.419  148.706   10.272   3.5410   13.591   4.8003   6.3101   5.2445  903.982  175.917  640.540  218.267 263.4416 280.3344 
1 1 1  -13   18   21 o  1308.51  166.564   27.945   6.6698   27.945   6.6698   0.0000   0.0000  1308.51  166.564  ?   ?  0.000000 166.5641 
1 1 1  -13   18   23 o  1766.33  162.795   50.582   8.9026   50.582   8.9026   0.0000   0.0000  1766.33  162.795  ?   ?  0.000000 162.7952 
1 1 1  -13   18   25 o  1485.97  112.186   35.249   5.1815   32.998   7.3976   37.418   7.2598  1419.90  169.751  1518.41  154.860 -98.51270 229.7759 
1 1 1  -13   18   27 o  2383.51  175.546   92.760   13.009   92.760   13.009   0.0000   0.0000  2383.51  175.546  ?   ?  0.000000 175.5464 
1 1 1  -13   18   29 o  2106.53  170.439   72.612   11.146   0.0000   0.0000   72.612   11.146  ?   ?   2106.53  170.439 0.000000 170.4387 
1 1 1  -13   18   31 o  2597.06  181.848  111.217   14.695  111.217   14.695   0.0000   0.0000  2597.06  181.848  ?   ?  0.000000 181.8483 
1 1 1  -13   18   33 o  544.863  178.330   4.7654   3.5064   6.0329   4.9003   3.4356   5.0194  616.189  210.979  537.440  208.530 78.74872 296.6428 
1 1 1  -13   18   35 o  3812.72  228.083  249.829   27.105  249.829   27.105   0.0000   0.0000  3812.72  228.083  ?   ?  0.000000 228.0830 
1 1 1  -13   18   37 o  1958.68  119.395   62.168   7.2876   55.518   10.189   69.132   10.427  1810.53  182.208  2035.29  165.038 -224.7574 245.8395 
1 1 1  -13   18   39 o  476.133  197.419   1.8975   4.8254   1.8975   4.8254   0.0000   0.0000  476.133  197.419  ?   ?  0.000000 197.4193 
1 1 1  -13   18   41 o  1339.55  190.207   32.503   7.7541   32.503   7.7541   0.0000   0.0000  1339.55  190.207  ?   ?  0.000000 190.2068 
1 1 1  -13   18   43 f  639.932  228.851   8.2715   5.8065   0.0000   0.0000   8.2715   5.8065  ?   ?   639.932  228.851 0.000000 228.8508 
1 1 1  -13   18   45 o  1386.88  212.597   39.442   8.9380   0.0000   0.0000   39.442   8.9380  ?   ?   1386.88  212.597 0.000000 212.5973 
1 1 1  -13   18   47 o  1700.05  211.991   62.466   11.040   0.0000   0.0000   62.466   11.040  ?   ?   1700.05  211.991 0.000000 211.9907 
1 1 1  -13   18   51 o  664.197  257.091   16.475   7.6152   0.0000   0.0000   16.475   7.6152  ?   ?   664.197  257.091 0.000000 257.0912 
1 1 1  -13   18   53 o  455.715  210.955   7.3381   7.1236   0.0000   0.0000   7.3381   7.1236  ?   ?   455.715  210.955 0.000000 210.9554 
1 1 1  -13   19    2 o  1224.11  124.040   23.957   4.6888   19.624   6.5011   28.655   6.7688  1088.53  198.029  1329.87  166.178 -241.3339 258.5166 
1 1 1  -13   19    4 o  985.007  136.242   15.677   4.0896   15.006   5.6568   16.412   5.9192  949.055  196.812  993.440  197.243 -44.38501 278.6394 
1 1 1  -13   19    6 o  863.272  153.986   12.212   4.0098   10.575   5.5025   14.066   5.8552  794.853  215.618  915.781  208.822 -120.9278 300.1628 
1 1 1  -13   19    8 o  723.076  158.660   8.6541   3.4936   7.7781   4.7539   9.6827   5.1515  688.746  205.120  761.792  209.452 -73.04565 293.1624 
1 1 1  -13   19   10 o  1501.07  173.437   36.523   8.0019   36.523   8.0019   0.0000   0.0000  1501.07  173.437  ?   ?  0.000000 173.4370 
1 1 1  -13   19   12 o  619.042  173.870   6.3109   3.5092   9.6323   5.0663   3.2480   4.8652  759.520  207.254  536.650  206.094 222.8698 292.2829 
1 1 1  -13   19   14 o  649.827  205.221   6.7698   4.6714   6.7698   4.6714   0.0000   0.0000  649.827  205.221  ?   ?  0.000000 205.2212 
1 1 1  -13   19   16 o  1135.41  186.774   21.238   6.4094   21.238   6.4094   0.0000   0.0000  1135.41  186.774  ?   ?  0.000000 186.7744 
1 1 1  -13   19   18 o  2743.80  183.665  121.633   15.688  121.633   15.688   0.0000   0.0000  2743.80  183.665  ?   ?  0.000000 183.6646 
1 1 1  -13   19   20 f  758.705  214.061   9.6351   5.3066   9.6351   5.3066   0.0000   0.0000  758.705  214.061  ?   ?  0.000000 214.0610 
1 1 1  -13   19   22 o  1338.10  170.050   29.202   6.9640   29.202   6.9640   0.0000   0.0000  1338.10  170.050  ?   ?  0.000000 170.0500 
1 1 1  -13   19   24 o  687.170  215.138   7.7299   5.1451   7.7299   5.1451   0.0000   0.0000  687.170  215.138  ?   ?  0.000000 215.1382 
1 1 1  -13   19   26 o  2892.34  189.889  136.636   17.102  136.636   17.102   0.0000   0.0000  2892.34  189.889  ?   ?  0.000000 189.8885 
1 1 1  -13   19   28 o  945.918  229.987   15.433   6.7460   15.433   6.7460   0.0000   0.0000  945.918  229.987  ?   ?  0.000000 229.9867 
1 1 1  -13   19   30 o  4468.44  169.110  324.077   23.661  343.005   33.556  305.357   33.370  4514.22  238.235  4240.62  252.452 273.6064 347.1135 
1 1 1  -13   19   32 o  1307.83  123.154   27.576   4.9839   24.628   7.3087   30.139   6.8140  1207.08  200.397  1353.23  164.170 -146.1492 259.0570 
1 1 1  -13   19   34 o  1665.85  116.687   44.622   6.0482   47.178   8.6751   42.204   8.4368  1691.01  165.976  1595.85  171.529 95.15405 238.6841 
1 1 1  -13   19   36 o  1998.86  177.317   66.997   10.983   66.997   10.983   0.0000   0.0000  1998.86  177.317  ?   ?  0.000000 177.3174 
1 1 1  -13   19   38 o  906.048  225.757   15.152   6.3815   15.152   6.3815   0.0000   0.0000  906.048  225.757  ?   ?  0.000000 225.7570 
1 1 1  -13   19   40 o  1743.81  184.107   53.888   9.9008   53.888   9.9008   0.0000   0.0000  1743.81  184.107  ?   ?  0.000000 184.1066 
1 1 1  -13   19   42 o  1187.94  210.083   27.048   7.5286   27.048   7.5286   0.0000   0.0000  1187.94  210.083  ?   ?  0.000000 210.0829 
1 1 1  -13   19   44 o  613.318  202.491   7.5247   4.5173   6.1934   6.1335   9.1029   6.6779  574.480  228.206  649.822  243.283 -75.34241 333.5637 
1 1 1  -13   19   46 o  745.584  246.467   13.517   6.6916   13.517   6.6916   0.0000   0.0000  745.584  246.467  ?   ?  0.000000 246.4668 
1 1 1  -13   19   48 o  1268.24  152.019   30.606   5.9166   31.661   7.9424   29.292   8.8687  1180.41  223.057  1049.86  268.667 130.5444 349.1935 
1 1 1  -13   19   50 o  562.737  230.530   9.1238   6.4757   9.1238   6.4757   0.0000   0.0000  562.737  230.530  ?   ?  0.000000 230.5297 
1 1 1  -13   20    1 o  797.131  166.919   10.482   4.0327   9.1577   5.7722   11.744   5.6365  749.374  226.673  838.685  213.947 -89.31085 311.6953 
1 1 1  -13   20    3 o  712.049  170.400   8.3958   3.7485   3.7030   5.1938   13.498   5.4156  562.625  213.683  901.085  197.398 -338.4595 290.9056 
1 1 1  -13   20    5 o  1877.87  119.118   55.911   6.9680   57.473   9.7774   54.299   9.9329  1892.88  166.661  1837.26  174.764 55.61511 241.4918 
1 1 1  -13   20    7 o  770.715  164.007   9.8030   3.8364   13.826   5.2711   5.2711   5.5943  913.280  190.489  620.441  224.299 292.8389 294.2725 
1 1 1  -13   20    9 o  419.016  181.756  -0.5489   4.4159  -0.5489   4.4159   0.0000   0.0000  419.016  181.756  ?   ?  0.000000 181.7560 
1 1 1  -13   20   11 o  742.653  166.181   9.1259   3.7679   10.579   5.2012   7.5208   5.4659  796.359  206.757  689.567  222.439 106.7924 303.6899 
1 1 1  -13   20   13 o  526.807  181.029   4.0761   3.6089  -1.7386   5.2165   9.4137   4.9979  432.399  192.178  752.659  206.045 -320.2607 281.7568 
1 1 1  -13   20   15 o  1331.87  125.891   28.318   5.1879   32.418   7.3811   24.316   7.2932  1415.34  169.947  1215.29  198.512 200.0573 261.3217 
1 1 1  -13   20   17 o  837.880  224.567   11.788   6.0115   0.0000   0.0000   11.788   6.0115  ?   ?   837.880  224.567 0.000000 224.5668 
1 1 1  -13   20   19 o  558.847  211.754   3.7527   5.0929   3.7527   5.0929   0.0000   0.0000  558.847  211.754  ?   ?  0.000000 211.7543 
1 1 1  -13   20   21 o  1222.91  190.708   24.636   7.0644   24.636   7.0644   0.0000   0.0000  1222.91  190.708  ?   ?  0.000000 190.7078 
1 1 1  -13   20   23 o  445.697  191.529  -0.1127   4.8132  -0.1127   4.8132   0.0000   0.0000  445.697  191.529  ?   ?  0.000000 191.5292 
1 1 1  -13   20   25 o  1774.29  169.803   51.065   9.3186   51.065   9.3186   0.0000   0.0000  1774.29  169.803  ?   ?  0.000000 169.8035 
1 1 1  -13   20   27 o  1382.14  211.603   31.890   8.8662   31.890   8.8662   0.0000   0.0000  1382.14  211.603  ?   ?  0.000000 211.6026 
1 1 1  -13   20   29 o  3675.30  220.263  223.563   25.232  223.563   25.232   0.0000   0.0000  3675.30  220.263  ?   ?  0.000000 220.2632 
1 1 1  -13   20   31 o  1167.21  240.850   23.585   8.5106   23.585   8.5106   0.0000   0.0000  1167.21  240.850  ?   ?  0.000000 240.8503 
1 1 1  -13   20   35 o  1067.94  138.992   18.802   4.5378   16.911   6.5347   20.562   6.3062  978.158  218.827  1094.96  190.867 -116.8041 290.3711 
1 1 1  -13   20   37 f  2241.47  125.801   82.100   8.7937   84.736   12.560   79.564   12.316  2227.87  181.624  2155.94  184.209 71.93262 258.6896 
1 1 1  -13   20   39 o  515.575  209.104   3.1060   5.2626   3.1060   5.2626   0.0000   0.0000  515.575  209.104  ?   ?  0.000000 209.1042 
1 1 1  -13   20   41 o  1120.19  149.179   21.745   5.1025   21.347   6.9309   22.215   7.5396  1056.40  216.795  1063.18  232.918 -6.776367 318.1989 
1 1 1  -13   20   43 o  992.853  233.113   20.272   7.1233   20.272   7.1233   0.0000   0.0000  992.853  233.113  ?   ?  0.000000 233.1129 
1 1 1  -13   20   45 o  1132.39  230.126   27.136   7.8816   27.136   7.8816   0.0000   0.0000  1132.39  230.126  ?   ?  0.000000 230.1265 
1 1 1  -13   20   47 o  1043.07  180.526   21.544   5.6827   19.263   7.3469   24.940   8.9658  884.920  252.645  967.235  279.990 -82.31519 377.1258 
1 1 1  -13   20   49 o  395.571  186.432  -1.2498   5.9881  -1.2498   5.9881   0.0000   0.0000  395.571  186.432  ?   ?  0.000000 186.4321 
1 1 1  -13   21    2 o  495.440  181.537   3.1667   3.6823  -0.7129   5.1989   7.0726   5.2164  453.173  196.893  672.023  217.359 -218.8499 293.2772 
1 1 1  -13   21    4 o  733.480  180.713   8.9079   4.1234   8.6145   5.8952   9.1890   5.7697  733.587  230.387  751.506  226.469 -17.91876 323.0576 
1 1 1  -13   21    6 o  298.065  144.939  -7.4844   4.2991   0.0000   0.0000  -7.4844   4.2991  ?   ?   298.065  144.939 0.000000 144.9390 
1 1 1  -13   21    8 o  853.714  214.610   12.154   5.7306   12.154   5.7306   0.0000   0.0000  853.714  214.610  ?   ?  0.000000 214.6099 
1 1 1  -13   21   10 o  1468.26  127.023   34.314   5.7823   42.905   8.0916   25.348   8.2660  1635.88  160.016  1237.75  221.406 398.1245 273.1773 
1 1 1  -13   21   12 o  777.999  174.835   10.020   4.1554   12.841   5.5151   6.3165   6.3199  877.733  204.468  668.941  238.805 208.7914 314.3801 
1 1 1  -13   21   14 o  1236.12  138.600   24.502   5.2723   24.340   7.4092   24.668   7.5040  1216.55  201.558  1224.56  202.798 -8.011719 285.9240 
1 1 1  -13   21   16 o  839.209  227.165   11.782   6.1154   0.0000   0.0000   11.782   6.1154  ?   ?   839.209  227.165 0.000000 227.1647 
1 1 1  -13   21   18 o  2339.38  124.457   86.837   9.0839   94.725   12.886   79.045   12.808  2429.81  170.441  2213.15  186.559 216.6541 252.6941 
1 1 1  -13   21   20 o  2603.24  187.401  109.345   15.174   0.0000   0.0000  109.345   15.174  ?   ?   2603.24  187.401 0.000000 187.4007 
1 1 1  -13   21   22 o  1011.09  222.460   17.219   6.8518   17.219   6.8518   0.0000   0.0000  1011.09  222.460  ?   ?  0.000000 222.4600 
1 1 1  -13   21   24 o  1563.33  129.227   39.046   6.2692   36.187   8.7559   42.052   8.9803  1486.45  192.650  1607.75  181.564 -121.2975 264.7252 
1 1 1  -13   21   26 o  911.952  230.592   14.145   6.5886   14.145   6.5886   0.0000   0.0000  911.952  230.592  ?   ?  0.000000 230.5925 
1 1 1  -13   21   28 o  2163.68  191.938   76.512   12.869   76.512   12.869   0.0000   0.0000  2163.68  191.938  ?   ?  0.000000 191.9383 
1 1 1  -13   21   30 o  1312.82  151.267   28.039   6.1045   35.917   9.1095   21.618   8.2243  1467.52  203.737  1118.63  241.846 348.8844 316.2252 
1 1 1  -13   21   32 o  573.175  242.141   1.5752   7.4676   1.5752   7.4676   0.0000   0.0000  573.175  242.141  ?   ?  0.000000 242.1413 
1 1 1  -13   21   34 o  1322.50  199.640   29.930   8.0098   29.930   8.0098   0.0000   0.0000  1322.50  199.640  ?   ?  0.000000 199.6396 
1 1 1  -13   21   36 o  1254.75  211.224   27.806   8.0041   27.806   8.0041   0.0000   0.0000  1254.75  211.224  ?   ?  0.000000 211.2244 
1 1 1  -13   21   38 o  1020.55  224.192   19.310   6.9685   19.310   6.9685   0.0000   0.0000  1020.55  224.192  ?   ?  0.000000 224.1923 
1 1 1  -13   21   40 o  645.069  239.944   7.4212   6.4752   7.4212   6.4752   0.0000   0.0000  645.069  239.944  ?   ?  0.000000 239.9440 
1 1 1  -13   21   42 o  518.673  214.339   3.4046   5.6607   3.4046   5.6607   0.0000   0.0000  518.673  214.339  ?   ?  0.000000 214.3394 
1 1 1  -13   21   44 o  984.387  179.035   18.133   5.3152   19.674   7.3986   16.490   7.6409  956.075  245.781  852.052  261.429 104.0222 358.8222 
1 1 1  -13   21   46 o  663.425  245.973   10.213   6.7939   10.213   6.7939   0.0000   0.0000  663.425  245.973  ?   ?  0.000000 245.9734 
1 1 1  -13   21   48 o  609.203  212.415   8.4245   4.9774   9.4077   7.1485   7.4993   6.9345  610.722  245.101  570.280  236.577 40.44263 340.6510 
1 1 1  -13   22    1 o  754.432  240.626   9.0318   6.4100   0.0000   0.0000   9.0318   6.4100  ?   ?   754.432  240.626 0.000000 240.6260 
1 1 1  -13   22    3 o  409.354  174.151   0.0675   3.9078  -2.2489   5.9422   1.8328   5.1874  457.583  204.125  512.329  207.669 -54.74600 291.1931 
1 1 1  -13   22    5 o  973.232  158.452   15.390   4.6626   18.142   6.5937   12.638   6.5940  1047.53  208.357  871.584  235.871 175.9410 314.7184 
1 1 1  -13   22    7 o  679.553  237.701   6.6894   6.2354   6.6894   6.2354   0.0000   0.0000  679.553  237.701  ?   ?  0.000000 237.7014 
1 1 1  -13   22    9 o  301.276  142.898  -4.3908   3.6243  -8.0272   5.3079  -1.2145   4.9608  344.126  165.790  431.857  189.868 -87.73059 252.0641 
1 1 1  -13   22   11 f  1046.08  155.017   17.715   4.9239   23.643   7.0707   12.133   6.8610  1202.31  194.452  855.510  244.114 346.8035 312.0955 
1 1 1  -13   22   13 o  691.055  233.228   7.2538   5.9875   0.0000   0.0000   7.2538   5.9875  ?   ?   691.055  233.228 0.000000 233.2277 
1 1 1  -13   22   15 o  528.497  220.866   1.0449   6.1079   0.0000   0.0000   1.0449   6.1079  ?   ?   528.497  220.866 0.000000 220.8660 
1 1 1  -13   22   17 o  386.163  171.098  -1.3123   4.1039   6.1396   5.7042  -9.3079   5.9087  649.860  227.350  358.290  173.180 291.5702 285.7963 
1 1 1  -13   22   19 o  1266.91  209.508   26.453   8.0207   26.453   8.0207   0.0000   0.0000  1266.91  209.508  ?   ?  0.000000 209.5077 
1 1 1  -13   22   21 o  858.847  189.884   12.270   4.9708   18.494   6.7838   5.0548   7.3045  1053.27  213.012  658.515  252.615 394.7541 330.4369 
1 1 1  -13   22   23 o  1902.02  132.805   57.631   7.8598   67.352   10.812   46.737   11.446  2046.09  170.307  1684.89  222.382 361.2007 280.1036 
1 1 1  -13   22   25 o  488.013  196.210   1.9211   4.5902   5.7766   6.0734  -3.2151   7.0099  644.103  233.575  483.420  218.175 160.6826 319.6211 
1 1 1  -13   22   27 o  3218.32  203.712  169.018   20.423  169.018   20.423   0.0000   0.0000  3218.32  203.712  ?   ?  0.000000 203.7121 
1 1 1  -13   22   29 o  536.541  228.537   0.6635   6.7446   0.6635   6.7446   0.0000   0.0000  536.541  228.537  ?   ?  0.000000 228.5367 
1 1 1  -13   22   31 o  2593.17  202.696  112.016   16.328  112.016   16.328   0.0000   0.0000  2593.17  202.696  ?   ?  0.000000 202.6964 
1 1 1  -13   22   33 o  644.289  261.453   4.4653   8.2323   4.4653   8.2323   0.0000   0.0000  644.289  261.453  ?   ?  0.000000 261.4525 
1 1 1  -13   22   35 o  1085.86  276.145   22.348   9.4107   22.348   9.4107   0.0000   0.0000  1085.86  276.145  ?   ?  0.000000 276.1450 
1 1 1  -13   22   37 o  719.273  267.386   8.9519   8.0387   0.0000   0.0000   8.9519   8.0387  ?   ?   719.273  267.386 0.000000 267.3858 
1 1 1  -13   22   39 o  1272.62  228.050   30.166   8.7537   30.166   8.7537   0.0000   0.0000  1272.62  228.050  ?   ?  0.000000 228.0502 
1 1 1  -13   22   41 o  799.203  261.143   13.170   7.5203   13.170   7.5203   0.0000   0.0000  799.203  261.143  ?   ?  0.000000 261.1434 
1 1 1  -13   22   43 o  415.688  194.406  -3.3296   6.2965  -3.3296   6.2965   0.0000   0.0000  415.688  194.406  ?   ?  0.000000 194.4058 
1 1 1  -13   22   45 o  999.407  257.500   22.300   8.1081   22.300   8.1081   0.0000   0.0000  999.407  257.500  ?   ?  0.000000 257.4995 
1 1 1  -13   22   47 o  553.777  234.498   5.7623   7.0301   5.7623   7.0301   0.0000   0.0000  553.777  234.498  ?   ?  0.000000 234.4983 
1 1 1  -13   23    2 o  1024.11  226.089   17.427   7.0562   0.0000   0.0000   17.427   7.0562  ?   ?   1024.11  226.089 0.000000 226.0889 
1 1 1  -13   23    4 o  761.381  239.265   9.2408   6.3571   0.0000   0.0000   9.2408   6.3571  ?   ?   761.381  239.265 0.000000 239.2647 
1 1 1  -13   23    6 o  910.764  232.512   13.809   6.6536   0.0000   0.0000   13.809   6.6536  ?   ?   910.764  232.512 0.000000 232.5117 
1 1 1  -13   23    8 o  1249.83  203.024   25.525   7.6727   0.0000   0.0000   25.525   7.6727  ?   ?   1249.83  203.024 0.000000 203.0240 
1 1 1  -13   23   10 o  415.874  180.310  -0.5743   4.3418 -10.0534   6.2679   8.1705   6.0202  367.813  177.929  722.159  233.498 -354.3460 293.5645 
1 1 1  -13   23   12 o  1137.87  151.399   20.845   5.2604   16.959   7.3976   24.820   7.4817  1007.41  238.254  1232.04  200.855 -224.6392 311.6212 
1 1 1  -13   23   14 o  1541.38  191.305   38.428   9.0347   0.0000   0.0000   38.428   9.0347  ?   ?   1541.38  191.305 0.000000 191.3045 
1 1 1  -13   23   16 o  764.763  199.039   9.6910   4.8124   4.8208   6.5783   15.298   7.0585  635.786  240.721  956.067  236.973 -320.2814 337.7907 
1 1 1  -13   23   18 o  1283.81  158.374   26.543   6.2316   34.753   8.5250   17.122   9.1318  1463.59  190.536  1008.15  279.535 455.4467 338.2953 
1 1 1  -13   23   20 o  409.878  195.631  -9.0546   7.0105   0.0000   0.0000  -9.0546   7.0105  ?   ?   409.878  195.631 0.000000 195.6310 
1 1 1  -13   23   22 o  964.474  284.119   15.675   9.1606   0.0000   0.0000   15.675   9.1606  ?   ?   964.474  284.119 0.000000 284.1187 
1 1 1  -13   23   24 o  465.148  196.667   0.4530   4.9326  -2.2964   6.4483   4.3310   7.6583  475.690  212.389  649.228  255.914 -173.5384 332.5677 
1 1 1  -13   23   26 o  2370.62  135.116   89.740   9.9881   86.992   13.827   92.738   14.444  2310.73  192.858  2385.21  195.105 -74.48413 274.3354 
1 1 1  -13   23   28 o  2223.93  187.659   81.017   12.946   81.017   12.946   0.0000   0.0000  2223.93  187.659  ?   ?  0.000000 187.6594 
1 1 1  -13   23   30 o  1256.14  164.785   26.019   6.3251   25.421   8.3535   26.823   9.6831  1214.92  227.959  1233.81  258.896 -18.89136 344.9526 
1 1 1  -13   23   32 o  2179.68  143.594   77.289   9.7455   85.396   13.968   69.599   13.603  2252.88  200.094  2018.94  218.678 233.9430 296.4077 
1 1 1  -13   23   34 o  1812.37  226.173   57.377   12.556   57.377   12.556   0.0000   0.0000  1812.37  226.173  ?   ?  0.000000 226.1730 
1 1 1  -13   23   36 o  1395.90  254.961   35.953   10.733   35.953   10.733   0.0000   0.0000  1395.90  254.961  ?   ?  0.000000 254.9614 
1 1 1  -13   23   38 o  527.315  227.585   1.3059   6.8539   1.3059   6.8539   0.0000   0.0000  527.315  227.585  ?   ?  0.000000 227.5846 
1 1 1  -13   23   40 o  369.174  179.235  -8.9812   6.5059  -8.9812   6.5059   0.0000   0.0000  369.174  179.235  ?   ?  0.000000 179.2346 
1 1 1  -13   23   42 o  400.518  188.298  -4.1862   6.0408  -4.1862   6.0408   0.0000   0.0000  400.518  188.298  ?   ?  0.000000 188.2977 
1 1 1  -13   23   44 o  391.470  182.387  -2.8220   5.4584  -3.0493   6.8461  -2.4253   9.0435  434.936  203.180  500.114  233.592 -65.17752 309.5919 
1 1 1  -13   24    1 o  402.605  188.754  -6.0499   5.9990   0.0000   0.0000  -6.0499   5.9990  ?   ?   402.605  188.754 0.000000 188.7543 
1 1 1  -13   24    3 o  629.358  219.511   5.6708   5.3157   2.5107   8.9739   7.3789   6.5978  658.494  270.755  709.465  244.717 -50.97131 364.9582 
1 1 1  -13   24    5 f  989.357  283.115   16.221   9.2149   16.221   9.2149   0.0000   0.0000  989.357  283.115  ?   ?  0.000000 283.1152 
1 1 1  -13   24    7 o  724.668  243.885   7.9311   6.5470   0.0000   0.0000   7.9311   6.5470  ?   ?   724.668  243.885 0.000000 243.8855 
1 1 1  -13   24    9 o  528.158  220.881   0.9215   6.1149   0.0000   0.0000   0.9215   6.1149  ?   ?   528.158  220.881 0.000000 220.8814 
1 1 1  -13   24   11 o  416.043  191.144  -4.1034   5.6929   0.0000   0.0000  -4.1034   5.6929  ?   ?   416.043  191.144 0.000000 191.1436 
1 1 1  -13   24   13 o  1008.60  251.672   17.012   7.9226   0.0000   0.0000   17.012   7.9226  ?   ?   1008.60  251.672 0.000000 251.6720 
1 1 1  -13   24   17 o  541.854  203.583   3.5302   4.6843  -8.5925   7.4674   11.396   6.0150  434.799  205.903  828.548  225.718 -393.7496 305.5235 
1 1 1  -13   24   19 f  1111.24  246.197   20.745   8.3411   0.0000   0.0000   20.745   8.3411  ?   ?   1111.24  246.197 0.000000 246.1970 
1 1 1  -13   24   21 o  1786.12  141.732   50.918   7.8616   50.357   10.831   51.543   11.429  1759.73  200.132  1777.56  209.344 -17.83398 289.6164 
1 1 1  -13   24   23 o  1162.12  179.122   22.138   6.3086   26.273   8.5020   17.072   9.4103  1253.92  224.795  998.653  286.201 255.2709 363.9282 
1 1 1  -13   24   25 o  1163.33  281.385   23.575   10.138   0.0000   0.0000   23.575   10.138  ?   ?   1163.33  281.385 0.000000 281.3848 
1 1 1  -13   24   27 f  1320.73  240.121   29.797   9.5644   29.797   9.5644   0.0000   0.0000  1320.73  240.121  ?   ?  0.000000 240.1206 
1 1 1  -13   24   29 o  382.949  184.576  -9.4123   6.5970  -9.4123   6.5970   0.0000   0.0000  382.949  184.576  ?   ?  0.000000 184.5759 
1 1 1  -13   24   31 o  1039.01  203.750   18.516   6.3919   22.844   8.2440   11.994   10.121  1140.70  238.482  844.791  302.140 295.9046 384.9187 
1 1 1  -13   24   33 o  617.823  238.359   5.0729   6.5293   9.8144   9.0205  -0.1455   9.4632  774.325  284.069  595.421  261.998 178.9035 386.4427 
1 1 1  -13   24   35 o  644.160  267.250   4.1531   8.8505   4.1531   8.8505   0.0000   0.0000  644.160  267.250  ?   ?  0.000000 267.2502 
1 1 1  -13   24   37 o  905.181  244.061   15.290   7.0753   13.393   10.433   16.905   9.6277  841.300  305.973  926.428  294.839 -85.12811 424.9112 
1 1 1  -13   24   39 o  967.520  297.942   19.305   9.9140   19.305   9.9140   0.0000   0.0000  967.520  297.942  ?   ?  0.000000 297.9419 
1 1 1  -13   24   41 f  461.477  214.786  -3.8257   7.5394  -3.8257   7.5394   0.0000   0.0000  461.477  214.786  ?   ?  0.000000 214.7858 
1 1 1  -13   24   43 f  579.195  229.570   5.3721   6.1944   3.5661   7.9464   8.1692   9.8891  571.776  245.913  677.836  281.964 -106.0594 374.1352 
1 1 1  -13   25    2 o  1392.08  219.694   31.624   9.2587   0.0000   0.0000   31.624   9.2587  ?   ?   1392.08  219.694 0.000000 219.6943 
1 1 1  -13   25    4 o  512.265  213.519   0.9539   5.6870   12.922   10.214  -4.4227   6.8463  913.058  304.638  463.244  211.630 449.8141 370.9330 
1 1 1  -13   25    6 o  1022.96  290.118   17.391   9.7212   17.391   9.7212   0.0000   0.0000  1022.96  290.118  ?   ?  0.000000 290.1182 
1 1 1  -13   25    8 o  1051.48  187.786   18.067   5.9559   22.875   9.0162   14.344   7.9332  1172.11  253.073  930.926  261.408 241.1844 363.8408 
1 1 1  -13   25   10 o  989.723  196.620   16.115   5.8786   13.556   9.1504   17.913   7.6710  916.284  286.913  1036.91  240.866 -120.6283 374.6141 
1 1 1  -13   25   12 o  728.156  253.415   7.7360   7.0827   0.0000   0.0000   7.7360   7.0827  ?   ?   728.156  253.415 0.000000 253.4151 
1 1 1  -13   25   14 o  706.549  251.742   7.0306   7.0200   0.0000   0.0000   7.0306   7.0200  ?   ?   706.549  251.742 0.000000 251.7418 
1 1 1  -13   25   16 o  911.510  265.066   13.803   8.0191   0.0000   0.0000   13.803   8.0191  ?   ?   911.510  265.066 0.000000 265.0660 
1 1 1  -13   25   18 o  427.242  192.307  -2.5233   5.4041   0.0000   0.0000  -2.5233   5.4041  ?   ?   427.242  192.307 0.000000 192.3073 
1 1 1  -13   25   20 o  929.997  237.777   14.595   6.9510   0.0000   0.0000   14.595   6.9510  ?   ?   929.997  237.777 0.000000 237.7766 
1 1 1  -13   25   22 o  405.928  181.292  -1.7773   4.7018   1.7951   8.3521  -3.4347   5.6888  617.013  258.102  423.433  193.236 193.5793 322.4232 
1 1 1  -13   25   24 o  664.615  222.240   6.9206   5.4361   9.2527   7.4119   4.2057   7.9970  764.836  259.485  652.272  260.113 112.5641 367.4116 
1 1 1  -13   25   26 o  645.731  226.174   6.2850   5.6461   2.0050   7.2434   12.912   9.0134  581.190  241.502  875.776  285.880 -294.5862 374.2337 
1 1 1  -13   25   28 f  1263.11  187.267   26.541   7.1822   26.722   9.4820   26.297   11.001  1239.83  252.813  1211.64  293.140 28.19080 387.0990 
1 1 1  -13   25   30 o  835.555  232.099   12.147   6.2895   11.217   8.3033   13.398   9.6336  814.691  274.654  879.789  295.842 -65.09802 403.6797 
1 1 1  -13   25   32 o  446.473  201.276  -2.2610   5.9468  -0.8174   7.5131  -4.6825   9.7306  528.956  233.073  546.617  250.677 -17.66132 342.2894 
1 1 1  -13   25   34 o  1066.74  299.108   21.592   10.394   21.592   10.394   0.0000   0.0000  1066.74  299.108  ?   ?  0.000000 299.1078 
1 1 1  -13   25   36 o  683.826  290.562   4.1188   10.854   4.1188   10.854   0.0000   0.0000  683.826  290.562  ?   ?  0.000000 290.5623 
1 1 1  -13   25   38 o  736.515  263.532   9.6213   7.7007   6.5529   10.977   12.595   10.806  713.312  296.923  823.482  309.243 -110.1707 428.7131 
1 1 1  -13   25   40 o  1104.53  246.537   23.274   8.3106   21.317   11.876   25.151   11.634  986.423  328.452  1079.60  320.733 -93.17914 459.0755 
1 1 1  -13   26    1 o  447.396  215.543 -13.4003   8.9717 -13.4003   8.9717   0.0000   0.0000  447.396  215.543  ?   ?  0.000000 215.5432 
1 1 1  -13   26    3 o  553.328  252.803  -6.0781   9.7717  -6.0781   9.7717   0.0000   0.0000  553.328  252.803  ?   ?  0.000000 252.8034 
1 1 1  -13   26    7 o  928.633  225.183   14.344   6.4802   9.8666   9.9624   17.629   8.5319  835.398  299.655  1026.11  264.017 -190.7086 399.3721 
1 1 1  -13   26    9 o  444.524  212.895 -11.5412   8.4558 -11.5412   8.4558   0.0000   0.0000  444.524  212.895  ?   ?  0.000000 212.8948 
1 1 1  -13   26   13 o  782.713  226.317   10.073   5.8609   4.0285   9.0878   14.377   7.6687  688.005  276.271  927.702  255.752 -239.6967 376.4761 
1 1 1  -13   26   15 o  562.799  217.848   3.3778   5.4679  -0.1557   7.8022   6.7882   7.6652  567.503  243.862  712.350  261.780 -144.8463 357.7679 
1 1 1  -13   26   17 o  993.663  185.072   16.271   5.5465   22.211   9.0069   12.643   7.0396  1146.23  257.262  869.982  246.932 276.2506 356.5942 
1 1 1  -13   26   19 o  817.894  246.059   11.069   6.8153   0.0000   0.0000   11.069   6.8153  ?   ?   817.894  246.059 0.000000 246.0593 
1 1 1  -13   26   21 o  620.183  235.575   4.6785   6.3131   0.0000   0.0000   4.6785   6.3131  ?   ?   620.183  235.575 0.000000 235.5752 
1 1 1  -13   26   23 o  319.698  157.130 -10.9989   5.4681   0.0000   0.0000 -10.9989   5.4681  ?   ?   319.698  157.130 0.000000 157.1301 
1 1 1  -13   26   25 o  647.664  243.342   5.4918   6.6928   0.0000   0.0000   5.4918   6.6928  ?   ?   647.664  243.342 0.000000 243.3421 
1 1 1  -13   26   27 o  756.286  220.349   9.6663   5.5369   3.1379   8.2083   15.117   7.5004  631.803  259.266  933.558  251.105 -301.7543 360.9328 
1 1 1  -13   26   29 o  819.201  233.887   11.562   6.2963   9.2670   8.7984   13.971   9.0143  775.363  281.139  896.582  285.285 -121.2188 400.5335 
1 1 1  -13   26   31 f  680.455  246.574   6.9954   6.7663   11.528   9.4209   2.1661   9.7244  831.296  292.099  647.363  275.046 183.9334 401.2133 
1 1 1  -13   26   33 o  649.784  246.760   5.8698   6.9257   19.511   8.9440 -14.5590   10.945  1034.97  272.308  488.521  236.022 546.4483 360.3582 
1 1 1  -13   26   35 o  719.502  252.931   8.6226   7.0641   14.032   9.0114  -0.0003   11.378  875.817  285.847  644.193  285.182 231.6242 403.7786 
1 1 1  -13   26   37 o  812.939  273.851   12.084   8.2548   19.402   11.802   5.0766   11.550  985.656  327.395  709.990  300.604 275.6655 444.4663 
1 1 1  -13   27    2 f  868.848  314.537   10.618   11.007   10.618   11.007   0.0000   0.0000  868.848  314.537  ?   ?  0.000000 314.5366 
1 1 1  -13   27    4 o  694.305  287.360   2.6265   10.197   2.6265   10.197   0.0000   0.0000  694.305  287.360  ?   ?  0.000000 287.3600 
1 1 1  -13   27    8 o  1028.31  289.454   17.742   9.7145   17.742   9.7145   0.0000   0.0000  1028.31  289.454  ?   ?  0.000000 289.4536 
1 1 1  -13   27   10 o  430.554  206.557 -11.2246   8.0359 -11.2246   8.0359   0.0000   0.0000  430.554  206.557  ?   ?  0.000000 206.5569 
1 1 1  -13   27   12 o  775.650  291.293   7.6704   9.5881   7.6704   9.5881   0.0000   0.0000  775.650  291.293  ?   ?  0.000000 291.2930 
1 1 1  -13   27   14 o  971.129  222.798   15.769   6.6310   21.521   9.9112   11.107   8.9220  1125.37  281.870  844.463  284.702 280.9063 400.6320 
1 1 1  -13   27   16 o  676.848  221.160   7.1664   5.3938   22.978   9.2789  -0.9029   6.6288  1165.54  260.765  509.215  221.782 656.3282 342.3236 
1 1 1  -13   27   18 o  974.822  200.860   15.810   5.9271   24.469   9.7656   10.761   7.4578  1199.88  266.824  814.719  259.517 385.1637 372.2152 
1 1 1  -13   27   20 o  1104.70  189.525   20.122   6.3198   22.129   9.8930   18.739   8.2143  1134.88  280.097  1049.46  252.940 85.41638 377.4031 
1 1 1  -13   27   22 o  757.018  222.246   9.5243   5.6137   15.546   9.2793   6.0485   7.0501  956.005  287.003  674.094  250.442 281.9108 380.9094 
1 1 1  -13   27   24 o  559.664  215.972   3.5459   5.3614   6.3235   9.2288   2.1310   6.5870  728.009  282.678  564.991  232.099 163.0173 365.7545 
1 1 1  -13   27   26 o  321.356  159.207 -13.6672   6.0151   0.0000   0.0000 -13.6672   6.0151  ?   ?   321.356  159.207 0.000000 159.2072 
1 1 1  -13   27   28 o  488.979  217.835  -1.9539   6.7426   0.0000   0.0000  -1.9539   6.7426  ?   ?   488.979  217.835 0.000000 217.8351 
1 1 1  -13   27   30 o  1191.72  239.497   24.562   8.6269   0.0000   0.0000   24.562   8.6269  ?   ?   1191.72  239.497 0.000000 239.4967 
1 1 1  -13   27   32 o  943.981  266.524   15.894   8.2234   0.0000   0.0000   15.894   8.2234  ?   ?   943.981  266.524 0.000000 266.5242 
1 1 1  -13   27   34 o  775.119  255.403   10.345   7.1878   25.355   10.583  -2.5070   9.7931  1171.09  290.103  574.949  258.827 596.1398 388.7817 
1 1 1  -13   28    1 o  613.264  260.140   0.6537   8.6757   0.0000   0.0000   0.6537   8.6757  ?   ?   613.264  260.140 0.000000 260.1399 
1 1 1  -13   28    3 o  ?   ?  -39.3051   10.467 -39.3051   10.467   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -13   28    5 o  518.945  244.471 -10.7300   10.276 -10.7300   10.276   0.0000   0.0000  518.945  244.471  ?   ?  0.000000 244.4710 
1 1 1  -13   28    7 o  622.053  255.989   2.2534   8.0303   0.0000   0.0000   2.2534   8.0303  ?   ?   622.053  255.989 0.000000 255.9888 
1 1 1  -13   28    9 o  516.303  223.098  -0.5511   6.6022   0.3440   10.137  -1.2104   8.7004  653.761  279.364  582.371  253.852 71.39032 377.4716 
1 1 1  -13   28   11 o  1095.21  305.111   20.311   10.852   20.311   10.852   0.0000   0.0000  1095.21  305.111  ?   ?  0.000000 305.1113 
1 1 1  -13   28   13 o  491.841  229.714  -7.9555   8.7437  -7.9555   8.7437   0.0000   0.0000  491.841  229.714  ?   ?  0.000000 229.7143 
1 1 1  -13   28   17 o  587.311  255.972  -1.0549   8.8437  -1.0549   8.8437   0.0000   0.0000  587.311  255.972  ?   ?  0.000000 255.9716 
1 1 1  -13   28   19 o  426.426  193.941  -3.2556   5.6690   10.993   9.3064 -11.6618   7.1483  843.347  290.655  388.873  188.586 454.4750 346.4753 
1 1 1  -13   28   21 o  874.083  226.011   12.873   6.2316   12.345   10.961   13.126   7.5748  894.656  315.018  883.769  257.797 10.88611 407.0571 
1 1 1  -13   28   23 o  532.508  220.844   1.4776   6.0404   7.5856   10.532  -1.5167   7.3738  784.250  302.678  524.585  231.038 259.6649 380.7787 
1 1 1  -13   28   25 o  718.528  237.987   8.2111   6.2379   20.669   10.195   0.7571   7.8864  1088.41  292.764  581.052  247.301 507.3597 383.2346 
1 1 1  -13   28   27 o  909.980  273.044   14.200   8.4003   0.0000   0.0000   14.200   8.4003  ?   ?   909.980  273.044 0.000000 273.0443 
1 1 1  -13   28   29 o  444.819  199.438  -2.1510   5.7496  -5.5061   9.7806  -0.3793   7.1074  547.719  251.233  529.935  230.229 17.78394 340.7690 
1 1 1  -13   28   31 o  703.285  268.214   6.6544   8.2043   0.0000   0.0000   6.6544   8.2043  ?   ?   703.285  268.214 0.000000 268.2144 
1 1 1  -13   29    4 o  507.041  226.645  -2.8865   7.3654   12.518   12.470 -11.1389   9.1276  932.388  335.173  473.869  225.347 458.5189 403.8836 
1 1 1  -13   29    6 o  799.862  295.831   8.4513   9.8152   0.0000   0.0000   8.4513   9.8152  ?   ?   799.862  295.831 0.000000 295.8307 
1 1 1  -13   29    8 o  874.255  252.486   12.622   7.2985   13.644   11.932   12.011   9.2255  947.678  328.975  874.767  289.403 72.91113 438.1539 
1 1 1  -13   29   10 o  636.474  281.296  -2.7294   11.025  -2.7294   11.025   0.0000   0.0000  636.474  281.296  ?   ?  0.000000 281.2955 
1 1 1  -13   29   12 o  1133.48  228.445   21.352   7.8278   24.280   11.886   19.109   10.402  1193.42  313.872  1064.45  299.492 128.9689 433.8328 
1 1 1  -13   29   14 o  629.680  245.749   4.1045   7.0024   10.641   10.671  -0.8390   9.2800  860.949  309.987  607.070  263.406 253.8788 406.7862 
1 1 1  -13   29   16 o  1000.02  285.764   16.836   9.3949   0.0000   0.0000   16.836   9.3949  ?   ?   1000.02  285.764 0.000000 285.7639 
1 1 1  -13   29   18 o  781.964  304.290   6.9208   10.712   6.9208   10.712   0.0000   0.0000  781.964  304.290  ?   ?  0.000000 304.2903 
1 1 1  -13   29   20 o  1128.76  329.424   21.927   12.366   21.927   12.366   0.0000   0.0000  1128.76  329.424  ?   ?  0.000000 329.4238 
1 1 1  -13   29   24 o  717.650  294.835   3.8649   10.630   3.8649   10.630   0.0000   0.0000  717.650  294.835  ?   ?  0.000000 294.8353 
1 1 1  -13   29   26 o  847.284  233.716   12.163   6.4020   13.915   10.498   11.125   8.0778  919.490  308.837  825.537  270.693 93.95355 410.6764 
1 1 1  -13   29   28 o  562.254  225.725   2.8223   6.0652  -0.4022   10.080   4.6522   7.5937  628.121  273.533  649.794  255.248 -21.67322 374.1279 
1 1 1  -13   30    1 o  791.440  300.581   7.5475   10.277   7.5475   10.277   0.0000   0.0000  791.440  300.581  ?   ?  0.000000 300.5808 
1 1 1  -13   30    3 o  533.985  242.460  -4.8911   8.8139  -6.4473   13.615  -3.7685   11.564  670.739  303.263  641.146  285.477 29.59290 416.4922 
1 1 1  -13   30    5 f  512.557  224.085  -1.2868   6.8246   10.562   9.2605 -15.3721   10.096  840.343  289.919  471.521  227.529 368.8221 368.5412 
1 1 1  -13   30    7 o  359.573  177.942 -16.9119   7.4374 -14.6530   11.391 -18.5907   9.8196  521.611  249.072  437.023  213.920 84.58798 328.3276 
1 1 1  -13   30    9 o  1152.00  303.445   22.431   11.098   0.0000   0.0000   22.431   11.098  ?   ?   1152.00  303.445 0.000000 303.4452 
1 1 1  -13   30   11 f  611.041  251.211   2.1768   7.7240   11.561   11.815  -4.8273   10.207  902.204  325.994  583.139  263.217 319.0645 418.9930 
1 1 1  -13   30   13 o  630.924  281.184  -3.6784   11.247  -3.6784   11.247   0.0000   0.0000  630.924  281.184  ?   ?  0.000000 281.1841 
1 1 1  -13   30   15 o  485.265  219.921  -3.8495   7.2087  -3.8967   11.005  -3.8141   9.5407  619.877  277.062  572.787  256.854 47.08984 377.8065 
1 1 1  -13   30   17 o  626.448  271.285  -0.6662   9.8052   0.0000   0.0000  -0.6662   9.8052  ?   ?   626.448  271.285 0.000000 271.2854 
1 1 1  -13   30   19 o  620.845  256.825   2.1265   8.1392  -7.3761   12.426   9.2671   10.772  620.901  284.203  831.238  309.417 -210.3364 420.1318 
1 1 1  -13   30   21 o  788.806  269.928   9.5503   8.0212   18.965   12.692   3.2893   10.350  1062.82  338.554  704.895  290.415 357.9296 446.0492 
1 1 1  -13   30   23 o  441.636  216.388 -18.9832   10.120   0.0000   0.0000 -18.9832   10.120  ?   ?   441.636  216.388 0.000000 216.3883 
1 1 1  -13   31    2 o  1187.74  237.364   23.350   8.5191   11.960   10.713   42.946   14.051  896.792  311.685  1606.52  289.990 -709.7228 425.7244 
1 1 1  -13   31    4 o  630.883  254.393   3.0406   7.7406   3.6871   10.216   2.1693   11.861  715.688  290.949  734.750  307.482 -19.06226 423.3160 
1 1 1  -13   31    6 o  599.687  245.905   2.1260   7.3772  -1.2796   9.9283   6.3243   11.023  624.396  271.689  784.907  307.782 -160.5110 410.5422 
1 1 1  -13   31    8 o  1188.41  324.361   23.855   12.408   0.0000   0.0000   23.855   12.408  ?   ?   1188.41  324.361 0.000000 324.3605 
1 1 1  -13   31   10 o  677.861  254.968   5.5907   7.3515   7.5628   9.7681   3.0146   11.164  780.713  293.854  728.788  301.078 51.92426 420.7116 
1 1 1  -13   31   12 o  1030.48  241.102   17.722   7.6414   23.310   10.292   10.856   11.407  1176.41  282.870  881.779  320.060 294.6345 427.1459 
1 1 1  -13   31   14 o  719.305  268.252   6.5651   8.1036   5.3435   12.172   7.5377   10.861  791.941  319.118  802.450  307.981 -10.50958 443.4963 
1 1 1  -13   31   16 o  867.423  328.226   9.5294   12.226   9.5294   12.226   0.0000   0.0000  867.423  328.226  ?   ?  0.000000 328.2261 
1 1 1  -12    0    2 o  583.561  115.204   5.9278   1.8718   5.9278   1.8718   5.9278   1.8718  583.561  115.204  583.561  115.204 -0.000000 0.000000 
1 1 1  -12    0    4 o  295.503  130.060   1.9704   1.2610   1.9704   1.2610   1.9704   1.2610  295.503  130.060  295.503  130.060 -0.000000 0.000000 
1 1 1  -12    0    6 o  166.000   99.308   0.4451   0.9185   0.4451   0.9185   0.4451   0.9185  166.000   99.308  166.000   99.308 -0.000000 0.000000 
1 1 1  -12    0    8 f  2038.29  107.942   65.777   6.8451   65.777   6.8451   65.777   6.8451  2038.29  107.942  2038.29  107.942 -0.000000 0.000000 
1 1 1  -12    0   10 o  5603.34  283.988  505.776   49.535  505.776   49.535  505.776   49.535  5603.34  283.988  5603.34  283.988 -0.000000 0.000000 
1 1 1  -12    0   12 o  848.204   99.837   11.754   2.5553   11.754   2.5553   11.754   2.5553  848.204   99.837  848.204   99.837 -0.000000 0.000000 
1 1 1  -12    0   14 o  155.929  101.257  -0.0837   1.1819  -0.0837   1.1819  -0.0837   1.1819  155.929  101.257  155.929  101.257 -0.000000 0.000000 
1 1 1  -12    0   16 o  174.224  110.257   0.1747   1.2926   0.1747   1.2926   0.1747   1.2926  174.224  110.257  174.224  110.257 -0.000000 0.000000 
1 1 1  -12    0   18 o  1322.55  145.145   28.543   5.8264   28.543   5.8264   28.543   5.8264  1322.55  145.145  1322.55  145.145 -0.000000 0.000000 
1 1 1  -12    0   20 o  303.671  161.361   2.0975   2.0713   2.0975   2.0713   2.0975   2.0713  303.671  161.361  303.671  161.361 -0.000000 0.000000 
1 1 1  -12    0   22 o  601.693  184.998   7.1260   3.0482   7.1260   3.0482   7.1260   3.0482  601.693  184.998  601.693  184.998 -0.000000 0.000000 
1 1 1  -12    0   24 o  1022.65  155.886   17.652   4.6476   17.652   4.6476   17.652   4.6476  1022.65  155.886  1022.65  155.886 -0.000000 0.000000 
1 1 1  -12    0   26 o  1646.21  103.598   43.216   5.2917   43.216   5.2917   43.216   5.2917  1646.21  103.598  1646.21  103.598 -0.000000 0.000000 
1 1 1  -12    0   28 o  3528.51  142.484  198.848   15.684  198.848   15.684  198.848   15.684  3528.51  142.484  3528.51  142.484 -0.000000 0.000000 
1 1 1  -12    0   30 o  910.072  162.887   14.377   4.1991   14.377   4.1991   14.377   4.1991  910.072  162.887  910.072  162.887 -0.000000 0.000000 
1 1 1  -12    0   32 o  1169.14  102.979   22.083   3.7027   22.083   3.7027   22.083   3.7027  1169.14  102.979  1169.14  102.979 -0.000000 0.000000 
1 1 1  -12    0   34 o  1783.93  107.318   50.901   5.9450   50.901   5.9450   50.901   5.9450  1783.93  107.318  1783.93  107.318 -0.000000 0.000000 
1 1 1  -12    0   36 o 12537.86  518.153  3183.19  202.633  3183.19  202.633  3183.19  202.633 12537.86  518.153 12537.86  518.153 -0.000000 0.000000 
1 1 1  -12    0   38 o  7589.74  273.372  978.876   64.777  978.876   64.777  978.876   64.777  7589.74  273.372  7589.74  273.372 -0.000000 0.000000 
1 1 1  -12    0   40 o  8619.98  309.729  1275.91   83.355  1275.91   83.355  1275.91   83.355  8619.98  309.729  8619.98  309.729 -0.000000 0.000000 
1 1 1  -12    0   42 o  744.150  131.647   9.5503   2.7811   9.5503   2.7811   9.5503   2.7811  744.150  131.647  744.150  131.647 -0.000000 0.000000 
1 1 1  -12    0   44 o  2458.05  119.659   96.433   9.1601   96.433   9.1601   96.433   9.1601  2458.05  119.659  2458.05  119.659 -0.000000 0.000000 
1 1 1  -12    0   46 o  5348.74  195.311  464.979   32.612  464.979   32.612  464.979   32.612  5348.74  195.311  5348.74  195.311 -0.000000 0.000000 
1 1 1  -12    0   48 o  1208.19  116.395   23.752   4.3095   23.752   4.3095   23.752   4.3095  1208.19  116.395  1208.19  116.395 -0.000000 0.000000 
1 1 1  -12    0   50 o  3379.12  203.708  187.478   21.375  187.478   21.375  187.478   21.375  3379.12  203.708  3379.12  203.708 -0.000000 0.000000 
1 1 1  -12    0   52 o  5107.37  280.287  446.477   44.516  446.477   44.516  446.477   44.516  5107.37  280.287  5107.37  280.287 -0.000000 0.000000 
1 1 1  -12    0   54 o  1084.77  181.909   20.640   5.6567   20.640   5.6567   20.640   5.6567  1084.77  181.909  1084.77  181.909 -0.000000 0.000000 
1 1 1  -12    0   56 o  3218.78  204.344  176.009   20.405  176.009   20.405  176.009   20.405  3218.78  204.344  3218.78  204.344 -0.000000 0.000000 
1 1 1  -12    0   58 o  2597.99  185.382  114.536   14.904  114.536   14.904  114.536   14.904  2597.99  185.382  2597.99  185.382 -0.000000 0.000000 
1 1 1  -12    0   60 f  2084.39  172.992   73.905   11.112   73.905   11.112   73.905   11.112  2084.39  172.992  2084.39  172.992 -0.000000 0.000000 
1 1 1  -12    1    1 o  897.982   67.079   12.723   1.8725   12.986   2.6439   12.458   2.6524  903.837   94.833  884.695   97.360 19.14227 135.9122 
1 1 1  -12    1    3 o  1541.81   69.827   37.304   3.3711   39.773   4.7735   34.848   4.7614  1587.46   96.490  1484.64  103.061 102.8213 141.1806 
1 1 1  -12    1    5 o  2650.66   84.110  110.371   6.9810  107.498   9.8752  113.242   9.8701  2611.27  120.775  2680.61  117.590 -69.34351 168.5651 
1 1 1  -12    1    7 o  582.955   71.770   5.4144   1.2824   6.2037   1.8313   4.6547   1.7964  620.627   97.443  533.827  111.087 86.79999 147.7682 
1 1 1  -12    1    9 o  916.214   77.661   13.279   2.2070   13.016   2.6922   13.818   3.8540  904.453   96.553  925.060  137.213 -20.60712 167.7793 
1 1 1  -12    1   11 f  3147.60   92.203  155.902   9.0874  151.113   12.849  160.693   12.854  3090.49  132.783  3187.93  128.765 -97.44165 184.9642 
1 1 1  -12    1   13 o  2846.37  100.638  127.701   8.9696  114.596   15.516  134.278   10.992  2668.50  186.873  2914.53  120.451 -246.0276 222.3288 
1 1 1  -12    1   15 o  2198.18  107.695   76.290   7.4127   63.408   10.438   89.398   10.529  1985.02  169.552  2367.99  142.670 -382.9670 221.5909 
1 1 1  -12    1   17 o  618.097  106.292   6.2011   1.9830   7.4506   2.7787   4.9043   2.8309  673.192  136.492  547.808  156.968 125.3836 208.0124 
1 1 1  -12    1   19 o  2045.77  108.652   66.384   6.9351   66.156   9.7887   66.614   9.8268  2028.67  155.277  2035.70  155.335 -7.038452 219.6359 
1 1 1  -12    1   21 o  1531.25   82.447   37.072   3.9386   37.327   4.8156   36.558   6.8448  1532.81  100.898  1504.64  147.167 28.17175 178.4334 
1 1 1  -12    1   23 o  2975.81  104.029  140.595   9.6934  142.398   11.871  136.986   16.794  2984.68  127.016  2887.99  186.707 96.69141 225.8151 
1 1 1  -12    1   25 o  1605.22   83.238   40.935   4.1695   40.481   7.2071   41.163   5.1118  1572.00  148.165  1603.81  102.322 -31.80603 180.0633 
1 1 1  -12    1   27 o  2163.54   78.843   74.331   5.3413   74.177   7.5439   74.485   7.5636  2142.86  112.828  2147.29  112.888 -4.425537 159.6053 
1 1 1  -12    1   29 f  391.652   97.766   2.5605   1.1952   3.6860   1.6775   1.3999   1.7034  467.596  115.299  329.522  122.968 138.0742 168.5673 
1 1 1  -12    1   31 o  1311.57   81.304   27.601   3.3226   28.491   4.0947   25.886   5.6852  1324.77   99.435  1234.96  150.107 89.81372 180.0537 
1 1 1  -12    1   33 o  997.399   71.687   15.956   2.2239   15.243   3.1358   16.677   3.1544  961.380  105.928  1008.14  101.297 -46.76422 146.5669 
1 1 1  -12    1   35 f  1385.92   72.588   30.900   3.1391   27.064   4.3993   34.880   4.4806  1273.84  111.415  1456.38   98.837 -182.5435 148.9360 
1 1 1  -12    1   37 o  1497.98   73.285   36.206   3.4375   38.132   4.8703   34.293   4.8524  1512.35  103.467  1428.89  109.282 83.46423 150.4925 
1 1 1  -12    1   39 o  2060.40   79.648   68.977   5.1386   68.084   7.2605   69.873   7.2737  2003.68  116.222  2031.80  114.799 -28.11865 163.3593 
1 1 1  -12    1   41 o  2289.83   82.302   85.333   5.9011   87.715   8.3523   82.959   8.3386  2274.59  117.672  2206.92  121.130 67.67407 168.8759 
1 1 1  -12    1   43 o  1356.89   73.797   29.887   3.1237   27.645   4.3571   32.258   4.4805  1277.63  109.985  1386.10  103.991 -108.4675 151.3635 
1 1 1  -12    1   45 o  1888.75   78.097   58.336   4.6188   50.964   6.4781   65.959   6.5872  1711.21  121.693  1969.44  107.221 -258.2316 162.1893 
1 1 1  -12    1   47 o  2581.53  102.918  113.715   8.3192  113.168   10.192  114.807   14.400  2512.44  130.003  2345.04  197.954 167.3975 236.8257 
1 1 1  -12    1   49 o  3182.13  120.381  180.873   11.995  180.965   14.706  180.690   20.733  3068.23  153.067  2686.28  249.330 381.9546 292.5662 
1 1 1  -12    1   51 o  3851.71  147.177  294.134   17.750  287.159   21.744  308.070   30.733  3517.48  198.228  2775.07  362.329 742.4121 413.0092 
1 1 1  -12    1   53 o  650.491  158.838   9.8699   3.2073   10.893   4.5429   8.8529   4.5286  589.659  203.083  522.688  199.287 66.97125 284.5308 
1 1 1  -12    1   55 o  1951.00  155.491   98.818   9.4202  111.455   13.397   86.458   13.249  1421.96  309.651  914.212  342.594 507.7511 461.7952 
1 1 1  -12    1   57 o  426.905  164.906   7.7698   3.1282   5.0384   4.4478   10.443   4.4004  313.922  151.367  404.756  178.359 -90.83417 233.9311 
1 1 1  -12    1   59 o  1062.92  340.987  151.658   12.858  131.989   18.150  171.476   18.218  ?   ?   ?   ?  0.000000      ? 
1 1 1  -12    1   61 o  322.752  162.495   36.324   7.5143   36.324   7.5143   0.0000   0.0000  322.752  162.495  ?   ?  0.000000 162.4947 
1 1 1  -12    1   63 o  ?   ?    78.757   11.650   0.0000   0.0000   78.757   11.650  ?   ?   ?   ?  0.000000      ? 
1 1 1  -12    2    2 o  1852.22   73.143   53.856   4.2421   54.138   5.9992   53.573   5.9993  1851.69  103.889  1841.88  104.450 9.802124 147.3186 
1 1 1  -12    2    4 o  773.251   66.580   9.4507   1.5963   9.1306   2.2653   9.7665   2.2499  755.646   98.052  782.607   93.674 -26.96167 135.6063 
1 1 1  -12    2    6 o  3282.19   92.842  169.395   9.5417  168.017   13.495  170.772   13.493  3261.58  132.140  3288.45  131.037 -26.87524 186.0955 
1 1 1  -12    2    8 o  876.888   67.189   12.138   1.8308   12.350   2.6008   11.929   2.5777  880.881   95.838  865.427   96.779 15.45343 136.2022 
1 1 1  -12    2   10 o  2333.17   79.798   85.543   5.8298   82.974   8.2418   88.116   8.2475  2290.44  115.286  2363.86  111.425 -73.41748 160.3324 
1 1 1  -12    2   12 o  932.289   78.201   13.756   2.2618   15.496   3.9517   12.909   2.7582  980.882  132.014  899.767   99.569 81.11572 165.3535 
1 1 1  -12    2   14 o  1810.05   84.411   51.551   4.7842   51.725   8.2777   51.464   5.8625  1797.94  148.359  1803.21  104.274 -5.275269 181.3374 
1 1 1  -12    2   16 o  413.072  114.203   2.7791   1.5266   2.5696   2.0901   3.0185   2.2350  413.409  137.798  441.463  142.221 -28.05374 198.0282 
1 1 1  -12    2   18 o  1194.72   98.242   22.674   3.6427   23.073   5.0927   22.257   5.2124  1196.89  138.441  1173.74  144.900 23.15723 200.4038 
1 1 1  -12    2   20 o  1875.65   85.651   55.465   5.0304   53.829   6.1464   58.785   8.7544  1841.17  107.075  1912.69  147.306 -71.52100 182.1100 
1 1 1  -12    2   22 o  4114.47  128.071  270.095   16.500  270.979   20.201  268.324   28.599  4101.74  157.286  4014.54  228.452 87.20215 277.3611 
1 1 1  -12    2   24 o  3590.90  117.420  206.176   13.203  211.167   16.164  196.173   22.884  3616.13  142.756  3414.57  215.132 201.5603 258.1882 
1 1 1  -12    2   26 o  1455.21   71.194   33.498   3.2441   33.606   4.5840   33.390   4.5916  1446.45  101.861  1441.60  102.384 4.846680 144.4234 
1 1 1  -12    2   28 o  2629.09   85.752  110.272   7.0594  111.390   9.9880  109.155   9.9790  2617.67  121.857  2590.35  123.031 27.31592 173.1634 
1 1 1  -12    2   30 f  3789.16  106.641  232.422   12.653  232.969   17.898  231.876   17.890  3728.89  153.286  3719.64  153.598 9.249512 216.9993 
1 1 1  -12    2   32 o  2961.70  106.529  142.738   9.8793  141.365   12.107  145.474   17.090  2917.31  132.539  2867.33  191.452 49.98120 232.8529 
1 1 1  -12    2   34 o  3229.44   97.180  169.801   9.8270  169.662   13.889  169.940   13.906  3163.08  140.232  3165.57  140.292 -2.486084 198.3604 
1 1 1  -12    2   36 o  819.192   78.766   10.939   1.9955   12.685   2.8481   9.2553   2.7967  869.008  106.925  730.487  126.872 138.5208 165.9199 
1 1 1  -12    2   38 o  1883.43   77.366   57.482   4.5626   58.317   6.4587   56.650   6.4465  1861.07  111.342  1832.41  112.902 28.66235 158.5686 
1 1 1  -12    2   40 o  2842.59   89.145  132.298   7.9347  131.132   11.216  133.466   11.227  2763.46  129.618  2790.05  128.507 -26.58521 182.5233 
1 1 1  -12    2   42 o  3428.06  102.396  195.385   10.991  194.791   15.543  195.979   15.545  3314.48  149.763  3325.85  149.270 -11.37085 211.4484 
1 1 1  -12    2   44 o  4408.27  150.207  350.032   20.734  348.870   25.403  352.350   35.883  4229.99  191.795  3694.26  313.149 535.7249 367.2158 
1 1 1  -12    2   46 o  1564.81   87.469   40.736   4.2686   43.701   5.2616   35.025   7.3012  1599.66  105.639  1333.80  179.365 265.8575 208.1620 
1 1 1  -12    2   48 o  1764.00   91.374   52.487   5.0298   53.932   6.1613   49.600   8.7087  1755.94  112.652  1561.50  181.499 194.4413 213.6172 
1 1 1  -12    2   50 o  2320.26   99.960   93.306   7.2624  100.889   8.9141   78.335   12.524  2358.29  121.124  1799.64  227.325 558.6500 257.5809 
1 1 1  -12    2   52 o  2063.23  100.299   76.506   6.4798   77.218   7.9813   75.130   11.099  1990.01  128.776  1704.75  212.532 285.2556 248.5018 
1 1 1  -12    2   54 o  1515.34   99.290   44.025   4.6852   49.548   5.7835   33.481   7.9911  1542.51  120.704  830.912  269.055 711.5963 294.8899 
1 1 1  -12    2   56 o  1606.88  428.988  294.373   21.989  290.737   31.152  297.984   31.044  ?   ?   ?   ?  0.000000      ? 
1 1 1  -12    2   58 o  1467.05  205.273   93.618   9.1714   98.237   13.115   89.198   12.830  523.130  254.096  489.822  240.734 33.30768 350.0255 
1 1 1  -12    2   60 o  364.508  178.698   30.642   6.9313   0.0000   0.0000   30.642   6.9313  ?   ?   364.508  178.698 0.000000 178.6979 
1 1 1  -12    2   62 o  ?   ?    48.319   8.6652   0.0000   0.0000   48.319   8.6652  ?   ?   ?   ?  0.000000      ? 
1 1 1  -12    3    1 o  1767.68   72.123   49.057   3.9920   48.626   5.6493   49.487   5.6419  1754.34  103.295  1770.03  102.231 -15.68567 145.3309 
1 1 1  -12    3    3 o  2368.72   79.848   88.137   5.9223   91.592   8.3852   84.697   8.3658  2410.98  111.071  2317.89  115.265 93.09229 160.0714 
1 1 1  -12    3    5 o  1495.76   69.419   35.116   3.2513   34.557   4.5959   35.677   4.6003  1478.49   99.858  1502.60   98.316 -24.10571 140.1349 
1 1 1  -12    3    7 o  2104.12   75.612   69.530   4.9817   66.586   7.0378   72.487   7.0526  2052.69  109.894  2145.31  104.989 -92.62305 151.9844 
1 1 1  -12    3    9 o  260.440   87.869   0.9919   0.8499   0.5055   1.5562   1.1986   1.0145  280.522  113.731  285.538   96.006 -5.015778 148.8353 
1 1 1  -12    3   11 o  3652.57  116.973  210.670   13.378  212.200   23.161  209.903   16.389  3628.78  204.674  3637.98  143.869 -9.204102 250.1800 
1 1 1  -12    3   13 o  489.947   90.384   3.8977   1.3355   5.0171   2.3692   3.3763   1.6169  551.831  137.588  453.616  113.978 98.21548 178.6653 
1 1 1  -12    3   15 o  1455.32   99.746   33.552   4.5180   32.921   6.3823   34.185   6.3965  1432.41  144.259  1460.53  141.648 -28.11987 202.1750 
1 1 1  -12    3   17 o  1733.61   83.170   47.310   4.5148   45.359   5.5033   51.327   7.8952  1691.70  104.403  1791.08  141.940 -99.37891 176.2014 
1 1 1  -12    3   19 o  1579.05   82.586   39.382   4.0692   37.769   4.9656   42.679   7.1002  1542.43  103.412  1630.98  140.397 -88.55334 174.3709 
1 1 1  -12    3   21 o  2594.85   97.380  106.491   7.9122  106.197   9.6776  107.082   13.741  2584.67  119.576  2569.68  171.765 14.98657 209.2884 
1 1 1  -12    3   23 o  1451.76   81.836   33.406   3.7050   32.164   4.5090   35.987   6.5005  1419.57  102.121  1489.62  141.044 -70.04358 174.1330 
1 1 1  -12    3   25 o  1527.23   82.993   37.086   3.9540   37.468   4.8161   36.295   6.9253  1529.48  101.133  1484.98  151.038 44.49695 181.7700 
1 1 1  -12    3   27 o  810.139   73.833   10.490   1.8524   10.391   2.6001   10.593   2.6397  797.513  106.803  805.184  107.375 -7.670532 151.4471 
1 1 1  -12    3   29 o  2333.51   94.515   87.379   6.9061   85.995   11.983   88.068   8.4506  2248.17  171.517  2328.46  115.905 -80.28809 207.0076 
1 1 1  -12    3   31 o  1348.44   72.890   29.030   3.0662   28.209   4.3169   29.867   4.3559  1315.26  105.713  1354.68  103.471 -39.42627 147.9239 
1 1 1  -12    3   33 o  3025.48  108.249  149.716   10.255  140.621   12.558  167.921   17.767  2892.78  138.640  3076.18  185.319 -183.3999 231.4395 
1 1 1  -12    3   35 o  2683.65   87.428  116.874   7.3467  117.602   10.390  116.147   10.389  2642.98  125.547  2625.35  126.383 17.63062 178.1427 
1 1 1  -12    3   37 o  1430.03   75.883   33.127   3.3857   37.158   4.7562   28.986   4.8207  1494.78  102.231  1305.79  119.216 188.9924 157.0465 
1 1 1  -12    3   39 o  215.610   95.273  -0.2766   1.2641  -1.1148   1.5622   1.3138   2.1518  213.608   98.848  339.011  135.009 -125.4033 167.3275 
1 1 1  -12    3   41 o  2949.11  109.407  145.337   10.103  142.823   12.385  150.339   17.468  2870.92  137.768  2794.80  200.948 76.12476 243.6393 
1 1 1  -12    3   43 o  850.954   97.133   12.118   2.5418   15.605   3.1811   5.9594   4.2273  960.119  107.666  555.563  195.628 404.5559 223.2985 
1 1 1  -12    3   45 f  2594.57  103.736  113.533   8.4278  111.103   10.341  118.338   14.543  2509.24  132.081  2444.15  191.561 65.09839 232.6825 
1 1 1  -12    3   47 o  1924.34   93.218   62.166   5.6169   55.774   6.8878   74.855   9.7047  1773.24  124.846  1989.35  157.074 -216.1074 200.6456 
1 1 1  -12    3   49 o  2041.62   95.700   70.975   6.1179   66.349   7.5113   80.093   10.545  1916.14  125.892  2000.49  169.951 -84.35010 211.4996 
1 1 1  -12    3   51 o  2644.40  110.240  125.912   9.1282  128.288   11.209  121.233   15.728  2567.50  139.954  2137.91  239.043 429.5876 276.9993 
1 1 1  -12    3   53 o  2584.41  115.830  130.554   9.3734  139.370   11.502  113.118   16.175  2526.21  146.025  1481.35  353.610 1044.861 382.5749 
1 1 1  -12    3   55 o  3166.69  257.593  440.735   25.321  458.612   31.040  405.177   43.777  1544.04  530.896  ?   ?  0.000000 530.8958 
1 1 1  -12    3   57 f  1664.06  174.109   92.330   8.9378   98.445   12.707   86.342   12.574  746.722  315.685  617.403  283.808 129.3192 424.5042 
1 1 1  -12    3   59 o  462.001  219.190   48.182   8.5387   0.0000   0.0000   48.182   8.5387  ?   ?   462.001  219.190 0.000000 219.1899 
1 1 1  -12    3   61 o  766.313  286.469   97.074   9.2524  113.886   13.253   81.090   12.923  ?   ?   ?   ?  0.000000      ? 
1 1 1  -12    3   63 o  397.522  185.103   38.730   5.6097   25.704   8.0433   51.068   7.8276  ?   ?   ?   ?  0.000000      ? 
1 1 1  -12    4    2 o  3294.02  108.612  170.995   11.203  167.730   13.707  177.564   19.442  3256.77  134.411  3330.40  187.190 -73.62280 230.4488 
1 1 1  -12    4    4 o  3666.23  117.529  212.042   13.492  220.800   16.522  194.511   23.376  3734.91  141.278  3474.17  215.947 260.7305 258.0556 
1 1 1  -12    4    6 o  3201.50  107.992  161.522   10.826  167.277   13.258  150.011   18.752  3253.25  130.155  3056.33  196.992 196.9199 236.1061 
1 1 1  -12    4    8 o  1644.28  101.205   42.742   5.1854   41.959   7.3047   43.537   7.3620  1620.75  145.486  1651.53  143.796 -30.78003 204.5568 
1 1 1  -12    4   10 o  1846.54  103.708   53.907   5.9721   51.215   8.3807   56.685   8.5125  1789.89  150.942  1885.03  145.340 -95.13916 209.5403 
1 1 1  -12    4   12 o  852.843  100.837   11.620   2.6407   15.719   3.6983   7.3570   3.7719  989.919  121.885  666.886  177.498 323.0331 215.3176 
1 1 1  -12    4   14 o  1714.53   83.353   46.247   4.4749   46.043   5.4709   46.659   7.7782  1705.55  102.925  1707.46  146.914 -1.915771 179.3800 
1 1 1  -12    4   16 o  1085.66   78.095   18.633   2.6371   16.459   3.2138   23.114   4.6137  1016.27  102.388  1201.81  124.403 -185.5370 161.1197 
1 1 1  -12    4   18 o  3772.04  120.075  225.498   14.182  224.047   17.357  228.412   24.601  3748.16  147.889  3744.18  210.694 3.974854 257.4158 
1 1 1  -12    4   20 o  1907.14   86.904   57.377   5.1897   62.571   6.3590   47.017   8.9804  1986.09  102.603  1700.34  170.991 285.7532 199.4122 
1 1 1  -12    4   22 o  2572.86   97.451  104.890   7.8509  109.555   9.6148   95.558   13.600  2622.51  117.086  2414.67  181.188 207.8386 215.7267 
1 1 1  -12    4   24 o  1348.56   83.011   28.906   3.4883   29.829   4.2544   27.013   6.0932  1365.38  100.211  1279.74  155.232 85.63452 184.7682 
1 1 1  -12    4   26 o  260.005  103.826   0.5665   1.2757   1.5231   1.6180  -1.0054   2.0740  333.597  120.623  262.530  118.561 71.06729 169.1354 
1 1 1  -12    4   28 o  1119.96   83.993   20.104   2.9241   19.706   5.0354   20.306   3.5917  1080.78  153.070  1118.93  103.692 -38.15088 184.8849 
1 1 1  -12    4   30 o  1473.72   71.069   34.510   3.2795   33.025   4.6420   35.990   4.6339  1426.01  104.691  1491.35   99.808 -65.34338 144.6442 
1 1 1  -12    4   32 o  2114.50   78.382   71.494   5.1897   71.134   7.3519   71.851   7.3267  2083.09  113.138  2094.42  112.126 -11.33228 159.2873 
1 1 1  -12    4   34 o  1682.45   86.435   45.846   4.5382   46.139   5.5667   45.266   7.8360  1673.29  106.803  1611.69  157.277 61.59973 190.1130 
1 1 1  -12    4   36 o  4005.44  133.534  274.416   16.748  277.245   20.528  268.785   28.962  3934.30  166.634  3558.27  261.780 376.0317 310.3156 
1 1 1  -12    4   38 o  3049.68  109.601  155.253   10.466  160.549   12.840  144.766   18.068  3054.15  134.260  2713.90  214.363 340.2546 252.9370 
1 1 1  -12    4   40 o  2587.39  102.540  110.730   8.3076  107.730   10.200  116.640   14.318  2508.82  130.292  2508.70  183.544 0.1137695 225.0871 
1 1 1  -12    4   42 o  1857.08   91.397   56.555   5.3147   51.685   6.5462   65.972   9.1033  1743.16  120.675  1926.33  152.159 -183.1768 194.2034 
1 1 1  -12    4   44 o  2066.17   92.908   70.607   6.0109   72.572   7.4022   66.804   10.300  2063.23  115.034  1878.44  177.203 184.7885 211.2670 
1 1 1  -12    4   46 o  1138.77   91.773   21.715   3.2446   21.447   4.0294   22.209   5.4720  1108.99  117.842  1076.18  167.862 32.80408 205.0959 
1 1 1  -12    4   48 o  209.828   96.037  -0.7299   1.4185  -2.7202   1.7877   2.6539   2.3309  192.485   93.567  392.711  144.351 -200.2259 172.0231 
1 1 1  -12    4   50 o  1453.55   91.878   36.152   4.1602   38.748   5.1179   31.096   7.1430  1475.85  111.571  1180.40  200.422 295.4449 229.3842 
1 1 1  -12    4   52 o  582.475  125.297   6.7077   2.2174   4.4667   2.7476   10.894   3.7554  443.683  157.555  678.581  175.446 -234.8975 235.8070 
1 1 1  -12    4   54 o  880.593  132.773   17.049   3.5473   18.182   4.9403   15.842   5.0966  753.933  204.216  650.252  215.103 103.6810 296.6033 
1 1 1  -12    4   56 o  1435.16  142.022   53.248   6.2985   48.798   8.8699   57.774   8.9454  779.198  282.318  997.992  276.650 -218.7934 395.2703 
1 1 1  -12    4   58 o  1783.33  122.892   82.505   6.8205   88.189   8.4267   71.710   11.614  1560.61  175.487  477.571  233.530 1083.037 292.1161 
1 1 1  -12    4   60 o  967.086  295.269  101.746   9.7611  101.746   9.7611   0.0000   0.0000  967.086  295.269  ?   ?  0.000000 295.2686 
1 1 1  -12    4   62 o  373.345  168.199   18.464   4.1449   10.132   6.2012   25.193   5.5727  ?   ?   318.216  156.832 0.000000 156.8322 
1 1 1  -12    5    1 o  2377.10   90.225   88.887   6.7157   84.677   8.2121   97.389   11.669  2316.97  113.193  2473.13  151.408 -156.1638 189.0426 
1 1 1  -12    5    3 o  415.754   94.700   2.8284   1.2053   2.8006   1.4883   2.8813   2.0543  414.567  112.005  430.063  136.122 -15.49536 176.2792 
1 1 1  -12    5    5 o  1721.79  102.927   46.863   5.5238   51.167   7.8026   42.539   7.8210  1792.33  140.144  1629.94  155.111 162.3837 209.0444 
1 1 1  -12    5    7 o  1546.94  100.983   37.851   4.8646   39.011   6.8535   36.673   6.9061  1563.05  141.566  1513.80  147.572 49.25732 204.4955 
1 1 1  -12    5    9 o  2303.41  112.677   83.718   8.1268   86.022   11.468   81.394   11.518  2320.86  158.761  2255.72  164.200 65.13574 228.4002 
1 1 1  -12    5   11 o  1457.20   81.192   33.488   3.6899   33.748   4.5161   32.965   6.4001  1460.25   99.359  1434.52  144.449 25.73376 175.3214 
1 1 1  -12    5   13 o  2479.30   95.232   96.830   7.3932   99.769   9.0426   90.903   12.840  2513.16  114.910  2379.50  173.526 133.6614 208.1235 
1 1 1  -12    5   15 o  1577.13   82.533   39.242   4.0616   40.225   4.9679   37.261   7.0534  1593.99  100.041  1523.25  149.820 70.74573 180.1503 
1 1 1  -12    5   17 o  2853.01  100.835  128.499   9.0080  122.951   11.013  139.712   15.657  2784.19  126.330  2947.80  170.353 -163.6165 212.0830 
1 1 1  -12    5   19 o  3129.81  107.324  155.056   10.518  153.808   12.868  157.568   18.257  3108.43  132.208  3115.00  188.054 -6.575684 229.8771 
1 1 1  -12    5   21 o  1156.45   82.024   21.210   2.9510   21.497   3.6038   20.626   5.1409  1160.70  100.137  1123.76  149.833 36.93982 180.2151 
1 1 1  -12    5   23 o  3118.49  107.982  155.010   10.544  156.512   12.908  151.999   18.279  3119.80  132.136  3023.60  194.095 96.20142 234.8042 
1 1 1  -12    5   25 o  1232.29   81.933   24.194   3.1435   24.885   3.8403   22.790   5.4723  1244.84   99.349  1171.15  152.871 73.68921 182.3174 
1 1 1  -12    5   27 o  3689.85  150.931  224.882   17.438   0.0000   0.0000  224.882   17.438  ?   ?   3689.85  150.931 0.000000 150.9307 
1 1 1  -12    5   29 o  2253.24   79.110   80.850   5.5815   80.722   7.9056   80.977   7.8814  2229.00  113.646  2232.91  113.093 -3.911377 160.3289 
1 1 1  -12    5   31 o  238.456   95.274   0.4852   1.0749   0.1036   1.3154   1.2522   1.8648  239.033  101.338  329.463  127.306 -90.43039 162.7148 
1 1 1  -12    5   33 o  2187.88   92.789   77.440   6.3568   75.518   7.7997   81.240   10.970  2137.71  116.966  2165.07  163.013 -27.35840 200.6350 
1 1 1  -12    5   35 o  1380.07   81.674   30.864   3.5137   36.354   4.3301   20.278   6.0125  1490.68   93.236  1041.59  191.402 449.0817 212.9031 
1 1 1  -12    5   37 o  3162.56  111.929  166.840   11.084  168.063   13.599  164.420   19.131  3122.35  139.095  2916.69  210.894 205.6604 252.6336 
1 1 1  -12    5   39 o  2438.24   97.780   97.650   7.4652  100.435   9.1836   92.225   12.818  2443.96  120.006  2234.98  184.811 208.9795 220.3557 
1 1 1  -12    5   41 o  3856.32  127.972  252.926   15.453  262.626   18.968  233.781   26.648  3852.32  157.244  3323.82  258.061 528.5024 302.1941 
1 1 1  -12    5   43 o  2691.95  101.061  120.317   8.5186  130.538   10.495  100.575   14.585  2769.93  121.000  2257.33  208.703 512.6018 241.2428 
1 1 1  -12    5   45 o  933.503   93.743   14.590   2.7031   14.473   3.3872   14.797   4.4857  910.155  121.917  881.203  168.712 28.95172 208.1522 
1 1 1  -12    5   47 o  1118.02   91.209   20.974   3.1652   22.699   3.9563   17.906   5.2759  1144.64  111.812  941.542  185.550 203.0965 216.6348 
1 1 1  -12    5   49 f  906.648  119.236   14.722   3.3029   16.080   4.7616   13.462   4.5855  884.604  178.066  795.984  187.130 88.61993 258.3124 
1 1 1  -12    5   51 o  1735.60  116.776   55.359   6.3094   51.835   8.8912   58.933   8.9547  1503.58  193.329  1644.92  176.621 -141.3403 261.8606 
1 1 1  -12    5   53 o  2623.65  166.743  164.969   13.627  170.425   19.249  159.486   19.295  1882.18  339.076  1675.10  376.973 207.0825 507.0319 
1 1 1  -12    5   55 o  1237.58   97.901   30.429   3.7629   30.006   4.6765   31.206   6.3373  1129.98  134.832  905.197  224.645 224.7852 262.0015 
1 1 1  -12    5   57 o  519.865  144.868   7.9528   2.4462   6.8117   3.0688   9.9414   4.0511  400.405  160.628  419.898  177.920 -19.49240 239.7017 
1 1 1  -12    5   59 o  1145.40  322.290  136.142   12.046  136.142   12.046   0.0000   0.0000  1145.40  322.290  ?   ?  0.000000 322.2905 
1 1 1  -12    5   61 o  1022.53  142.333   37.036   4.4336   39.205   5.5518   33.217   7.3663  693.991  224.214  321.385  161.687 372.6067 276.4322 
1 1 1  -12    6    2 o  2983.00  101.637  140.150   9.4934  119.578   16.406  150.506   11.640  2727.78  193.324  3087.54  120.402 -359.7561 227.7522 
1 1 1  -12    6    4 o  1526.30   98.030   36.825   4.6603   30.710   6.5506   43.092   6.6314  1382.86  153.892  1646.03  129.713 -263.1699 201.2664 
1 1 1  -12    6    6 o  903.297   98.774   12.999   2.7482   11.887   3.8279   14.181   3.9481  853.945  148.552  936.616  138.822 -82.67084 203.3206 
1 1 1  -12    6    8 o  2052.48   88.393   66.266   5.6808   68.444   6.9543   61.897   9.8486  2080.96  107.090  1966.64  161.352 114.3240 193.6565 
1 1 1  -12    6   10 o  3967.56  121.842  248.744   15.137  246.355   18.522  253.550   26.267  3939.05  150.165  3963.44  212.427 -24.39355 260.1437 
1 1 1  -12    6   12 o  3402.74  112.065  182.783   11.940  173.861   14.599  200.814   20.753  3310.76  140.822  3535.60  188.133 -224.8401 234.9992 
1 1 1  -12    6   14 o  1430.34   82.035   32.289   3.6588   31.959   4.4657   32.964   6.3814  1420.04  101.093  1433.53  144.118 -13.49304 176.0389 
1 1 1  -12    6   16 o  1317.01   81.047   27.399   3.3260   28.360   4.0737   25.479   5.7606  1337.28   97.967  1256.23  149.374 81.04602 178.6341 
1 1 1  -12    6   18 o  370.214  104.168   2.2261   1.2584   2.7939   1.5083   0.9255   2.2828  413.448  113.193  345.248  138.524 68.20056 178.8897 
1 1 1  -12    6   20 o  370.667  106.058   2.2308   1.2932   2.9588   1.5537   0.5893   2.3332  424.395  114.346  334.667  137.884 89.72806 179.1288 
1 1 1  -12    6   22 o  1586.55   84.352   39.929   4.1755   40.280   5.0889   39.206   7.3044  1588.54  102.859  1549.53  152.523 39.00476 183.9652 
1 1 1  -12    6   24 o  1842.46   87.128   53.897   5.0266   54.279   6.1472   53.126   8.7319  1839.52  107.188  1795.61  156.878 43.90503 190.0002 
1 1 1  -12    6   26 o  761.185  106.228   9.4651   2.4629   11.544   3.6872   7.7905   3.3094  827.911  147.647  673.881  159.345 154.0292 217.2341 
1 1 1  -12    6   28 o  830.007  104.542   11.243   2.6567   10.331   3.8294   12.090   3.6889  773.997  163.151  846.627  144.326 -72.63025 217.8259 
1 1 1  -12    6   30 o  1959.12   88.821   61.480   5.4487   62.002   6.7073   60.466   9.3433  1952.85  110.138  1890.99  159.278 61.86060 193.6487 
1 1 1  -12    6   32 o  2562.95   99.453  106.424   7.9813  102.967   9.7939  113.259   13.771  2493.25  125.857  2553.95  173.231 -60.70679 214.1237 
1 1 1  -12    6   34 o  3184.72  113.203  167.653   11.289  165.655   13.847  171.614   19.493  3119.17  141.776  3038.29  206.116 80.87329 250.1684 
1 1 1  -12    6   36 o  1281.26   82.102   26.645   3.2765   27.934   4.0426   24.176   5.5940  1301.07   99.994  1167.77  156.960 133.3038 186.1052 
1 1 1  -12    6   38 o  949.711   88.553   14.773   2.6030   16.405   3.2663   11.933   4.3090  991.554  106.893  802.662  176.270 188.8920 206.1482 
1 1 1  -12    6   40 o  3000.32  109.028  149.151   10.243  150.007   12.586  147.473   17.626  2964.62  135.585  2797.24  202.606 167.3745 243.7876 
1 1 1  -12    6   42 o  2244.22   95.198   82.697   6.6898   85.034   8.2652   78.259   11.391  2245.56  117.960  2062.74  178.114 182.8271 213.6329 
1 1 1  -12    6   44 o  2206.30   93.483   80.396   6.4583   86.014   7.9911   69.816   10.966  2252.05  113.688  1911.59  185.543 340.4618 217.6038 
1 1 1  -12    6   46 o  290.945  118.306   0.8246   1.6896  -0.3605   2.5336   1.7738   2.2675  298.168  133.129  357.833  139.791 -59.66516 193.0411 
1 1 1  -12    6   48 o  1553.48  111.452   41.831   5.3854   40.944   7.6800   42.690   7.5537  1443.81  173.342  1488.38  164.848 -44.57227 239.2115 
1 1 1  -12    6   50 o  952.356  117.440   16.425   3.4279   15.877   4.9305   16.937   4.7692  848.466  190.276  897.392  176.013 -48.92615 259.2020 
1 1 1  -12    6   52 o  1525.28   96.414   41.907   4.5811   45.250   5.6973   35.792   7.7055  1532.52  119.675  1129.59  225.746 402.9274 255.5062 
1 1 1  -12    6   54 o  1704.53   99.499   56.187   5.2875   58.111   6.5434   52.567   8.9756  1632.07  129.094  1167.87  252.779 464.2063 283.8351 
1 1 1  -12    6   56 o  1896.78  102.560   75.551   6.0687   87.489   7.5277   53.387   10.257  1923.36  125.683  648.837  279.225 1274.519 306.2071 
1 1 1  -12    6   58 o  1574.43  259.011  144.005   12.325  144.005   12.325   0.0000   0.0000  1574.43  259.011  ?   ?  0.000000 259.0108 
1 1 1  -12    6   60 o  1036.88  129.751   32.249   4.1204   35.617   5.1108   25.994   6.9648  869.491  192.776  340.112  168.982 529.3794 256.3537 
1 1 1  -12    6   62 o  1333.49  181.027   92.202   7.3634  100.664   9.1158   76.315   12.491  678.485  275.196  ?   ?  0.000000 275.1960 
1 1 1  -12    7    1 f  2491.78   92.489   97.695   7.2163  102.726   12.487   95.173   8.8426  2538.40  157.879  2456.07  114.979 82.32983 195.3104 
1 1 1  -12    7    3 o  482.947   95.447   3.7984   1.3922   3.1974   2.3855   4.1088   1.7145  455.413  146.953  500.706  112.140 -45.29260 184.8532 
1 1 1  -12    7    5 f  2098.01   75.834   69.145   4.9818   67.088   7.0381   71.211   7.0526  2059.98  109.506  2125.73  105.956 -65.74878 152.3757 
1 1 1  -12    7    7 o  1356.85   67.722   28.903   2.8772   27.899   4.0529   29.923   4.0854  1327.52   98.198  1375.49   95.445 -47.96960 136.9400 
1 1 1  -12    7    9 o  1969.66   74.142   60.946   4.5727   58.924   6.4722   62.962   6.4613  1930.17  107.515  1996.09  103.734 -65.91931 149.3997 
1 1 1  -12    7   11 o  2417.42   80.678   91.883   6.1070   91.540   8.6390   92.226   8.6342  2407.72  114.588  2416.81  114.093 -9.093994 161.7025 
1 1 1  -12    7   13 o  3268.11   94.446  168.270   9.6649  173.138   13.683  163.424   13.654  3305.13  132.214  3209.98  135.839 95.14893 189.5601 
1 1 1  -12    7   15 o  2175.79   77.754   74.471   5.2973   75.605   7.5040   73.344   7.4792  2184.42  110.062  2151.10  111.421 33.31421 156.6150 
1 1 1  -12    7   17 o  3994.05  107.158  252.378   13.402  249.107   18.961  255.644   18.944  3946.59  153.437  3999.22  151.280 -52.62988 215.4728 
1 1 1  -12    7   19 o  1474.85  103.800   34.632   4.7630   34.632   4.7630   0.0000   0.0000  1474.85  103.800  ?   ?  0.000000 103.8003 
1 1 1  -12    7   21 o  586.583   92.081   5.5783   1.6356   7.1534   2.0367   2.7178   2.7447  663.911  101.170  439.538  157.325 224.3730 187.0469 
1 1 1  -12    7   23 o  4020.99  128.001  260.436   16.116  258.450   19.760  264.383   27.852  3975.77  158.727  3929.67  227.326 46.10864 277.2572 
1 1 1  -12    7   25 o  1561.30  102.402   39.160   4.9785   42.400   7.1358   36.086   6.9492  1605.80  143.426  1475.86  152.577 129.9331 209.4060 
1 1 1  -12    7   27 o  2062.14   87.922   67.793   5.6772   73.057   6.9936   57.619   9.7217  2132.73  104.725  1850.34  169.683 282.3853 199.3983 
1 1 1  -12    7   29 o  2642.48  122.069  113.728   10.100  117.065   14.321  110.425   14.248  2623.12  175.361  2541.79  180.181 81.33325 251.4298 
1 1 1  -12    7   31 o  1210.48   83.387   23.557   3.1414   24.574   3.8713   21.598   5.3751  1228.82  101.522  1122.46  157.247 106.3601 187.1724 
1 1 1  -12    7   33 o  847.516   87.808   11.701   2.2964   10.818   2.8587   13.308   3.8560  802.630  117.200  877.024  145.514 -74.39386 186.8423 
1 1 1  -12    7   35 o  1638.38   86.749   43.561   4.4345   42.139   5.4425   46.370   7.6489  1594.71  109.660  1633.89  151.221 -39.18457 186.7972 
1 1 1  -12    7   37 o  1764.74   86.745   50.441   4.7934   50.615   5.8968   50.102   8.2301  1748.86  108.213  1690.73  157.262 58.13000 190.8962 
1 1 1  -12    7   39 o  2856.21  105.340  134.138   9.4211  135.676   11.573  131.117   16.222  2836.83  130.282  2668.61  195.496 168.2209 234.9302 
1 1 1  -12    7   41 o  3096.76  110.886  159.178   10.752  159.578   13.210  158.392   18.509  3053.11  138.179  2892.12  205.723 160.9910 247.8219 
1 1 1  -12    7   43 o  1905.86  112.939   61.146   6.7098   58.965   9.5566   63.267   9.4231  1791.10  172.532  1871.05  162.452 -79.94519 236.9767 
1 1 1  -12    7   45 o  1026.32  110.159   17.952   3.4848   18.698   5.0294   17.263   4.8329  999.122  166.631  959.036  167.004 40.08600 235.9155 
1 1 1  -12    7   47 o  2533.93  129.061  113.197   10.206  113.989   14.476  112.413   14.392  2376.46  196.294  2359.09  196.622 17.36914 277.8337 
1 1 1  -12    7   49 o  2365.12   96.211   95.077   7.1252  104.514   8.8149   77.290   12.102  2437.70  115.484  1873.70  209.878 564.0013 239.5527 
1 1 1  -12    7   51 f  1056.59   98.586   19.834   3.2240   19.586   4.0839   20.243   5.2523  1003.73  133.230  942.638  184.551 61.09515 227.6165 
1 1 1  -12    7   53 o  2538.98  162.923  154.222   12.884  154.222   12.884   0.0000   0.0000  2538.98  162.923  ?   ?  0.000000 162.9229 
1 1 1  -12    7   55 o  744.904  120.252   12.174   2.7093   15.166   3.5263   7.8630   4.2328  771.108  151.451  424.890  181.015 346.2182 236.0163 
1 1 1  -12    7   57 o  1723.24  190.201  107.299   10.092  107.299   10.092   0.0000   0.0000  1723.24  190.201  ?   ?  0.000000 190.2006 
1 1 1  -12    7   59 o  1839.95  133.796   98.421   7.6557  102.544   9.4466   90.531   13.068  1454.20  213.846  427.029  214.903 1027.172 303.1719 
1 1 1  -12    7   61 o  990.228  133.013   31.926   4.0200   31.895   5.0370   31.980   6.6717  650.163  213.783  361.887  176.970 288.2759 277.5271 
1 1 1  -12    8    2 o  3779.16  119.745  225.515   14.170  233.173   24.531  221.680   17.359  3805.86  206.623  3738.45  148.290 67.41284 254.3284 
1 1 1  -12    8    4 f  953.478   68.760   14.347   2.0391   14.286   2.8902   14.407   2.8773  947.428   98.880  951.630   97.960 -4.202087 139.1881 
1 1 1  -12    8    6 o  1662.67   72.534   43.419   3.7763   44.938   5.3509   41.911   5.3301  1685.90  101.841  1627.39  105.161 58.50586 146.3915 
1 1 1  -12    8    8 o  1226.35   69.801   23.693   2.6693   21.626   3.7879   25.732   3.7622  1166.70  104.803  1274.98   94.916 -108.2822 141.3958 
1 1 1  -12    8   10 o  779.754   70.644   9.6281   1.7061   10.722   2.4651   8.6222   2.3637  819.237   98.045  731.948  106.236 87.28906 144.5645 
1 1 1  -12    8   12 o  967.974   81.078   14.840   2.4348   15.217   2.9970   14.108   4.1757  977.518   99.294  931.053  148.199 46.46405 178.3874 
1 1 1  -12    8   14 o  2104.63   89.093   69.786   5.8713   70.026   7.2079   69.313   10.122  2102.03  109.891  2078.37  156.686 23.66040 191.3805 
1 1 1  -12    8   16 o  681.607   86.265   7.4381   1.7999   7.1430   2.2366   7.9805   3.0323  662.859  111.730  694.974  144.073 -32.11414 182.3200 
1 1 1  -12    8   18 o  1112.40   99.637   19.741   3.4338   19.741   3.4338   0.0000   0.0000  1112.40   99.637  ?   ?  0.000000 99.63660 
1 1 1  -12    8   20 o  2512.36   97.318  100.123   7.6558   95.802   9.3979  108.647   13.200  2445.14  123.141  2581.76  164.140 -136.6240 205.1966 
1 1 1  -12    8   22 o  2070.90   90.018   68.061   5.8372   66.972   7.1665   70.208   10.062  2043.69  112.421  2070.22  156.371 -26.52625 192.5883 
1 1 1  -12    8   24 o  522.938   99.631   4.5027   1.5718   4.6537   1.9509   4.2235   2.6535  527.627  120.704  505.124  153.889 22.50272 195.5797 
1 1 1  -12    8   26 o  1257.31   82.477   25.222   3.2291   23.945   3.9814   27.677   5.5200  1217.69  105.460  1296.34  138.117 -78.64185 173.7757 
1 1 1  -12    8   28 o  3112.81  109.180  156.230   10.642  157.832   13.059  153.064   18.361  3105.74  134.282  2979.34  197.941 126.3955 239.1908 
1 1 1  -12    8   30 o  2401.53  117.721   94.004   8.8524   93.745   12.527   94.263   12.511  2341.72  172.044  2349.06  171.277 -7.341064 242.7651 
1 1 1  -12    8   32 o  1311.98   84.393   27.751   3.4486   26.955   4.2413   29.303   5.9241  1282.04  106.621  1311.51  146.771 -29.47754 181.4104 
1 1 1  -12    8   34 o  1966.10   90.283   62.561   5.5582   59.852   6.8187   67.927   9.5950  1900.89  115.102  1981.35  155.916 -80.46326 193.7997 
1 1 1  -12    8   36 o  1359.78   83.577   29.903   3.5413   32.454   4.3880   25.136   5.9972  1407.13  100.245  1193.15  164.933 213.9841 193.0074 
1 1 1  -12    8   38 o  1582.69   88.025   40.592   4.3451   38.968   5.3668   43.682   7.4028  1534.34  112.490  1592.21  150.260 -57.86963 187.7026 
1 1 1  -12    8   40 o  2792.19  129.859  131.201   11.354  128.292   16.050  134.115   16.063  2643.75  195.261  2713.20  190.276 -69.44604 272.6388 
1 1 1  -12    8   42 o  3493.12  152.432  213.686   16.673  208.286   23.582  219.082   23.575  3217.73  235.697  3323.95  227.885 -106.2209 327.8481 
1 1 1  -12    8   44 o  579.286  122.026   5.8862   2.1435   6.8955   2.6900   4.1304   3.5479  617.674  142.046  486.588  178.207 131.0863 227.8918 
1 1 1  -12    8   46 o  1675.96   91.653   46.567   4.7916   43.528   5.9064   52.417   8.1951  1589.74  119.528  1692.36  156.417 -102.6268 196.8584 
1 1 1  -12    8   48 o  2057.65   95.603   71.181   6.1597   71.908   7.5945   69.784   10.531  2025.66  120.273  1873.66  181.778 151.9991 217.9648 
1 1 1  -12    8   50 o  1710.55  116.658   52.908   6.2111   51.958   8.7613   53.868   8.8066  1552.35  183.813  1588.71  180.217 -36.36047 257.4208 
1 1 1  -12    8   52 o  992.614  100.707   18.149   3.0868   16.310   3.8930   21.263   5.0657  871.812  147.893  942.117  178.246 -70.30450 231.6117 
1 1 1  -12    8   54 o  1449.00   99.492   40.717   4.4868   38.932   5.5807   43.979   7.5451  1306.76  138.500  1173.49  213.190 133.2690 254.2291 
1 1 1  -12    8   56 o  1717.57  162.337   84.518   8.6272   84.518   8.6272   0.0000   0.0000  1717.57  162.337  ?   ?  0.000000 162.3374 
1 1 1  -12    8   58 o  381.631  143.374   5.2493   2.3232   8.6533   2.9967   0.1207   3.6782  455.148  164.221  249.698  123.845 205.4499 205.6842 
1 1 1  -12    8   60 o  787.483  128.202   18.016   3.0525   20.327   3.8269   13.976   5.0608  686.818  176.876  332.666  160.665 354.1516 238.9527 
1 1 1  -12    9    1 o  3754.34  100.697  222.107   11.838  204.585   16.732  239.669   16.750  3589.52  148.863  3889.10  137.550 -299.5847 202.6825 
1 1 1  -12    9    3 o  3265.37  107.697  168.156   11.012  167.153   13.504  170.145   19.023  3249.52  132.717  3255.77  187.391 -6.249023 229.6288 
1 1 1  -12    9    5 o  3047.49  103.848  146.395   9.9096  148.232   12.156  142.755   17.110  3061.45  126.806  2982.47  184.114 78.98657 223.5571 
1 1 1  -12    9    7 o  508.126   93.534   4.1924   1.4334   4.5077   1.8179   3.6744   2.3303  524.388  113.969  478.897  143.839 45.49100 183.5173 
1 1 1  -12    9    9 o  1581.98   82.933   39.473   4.0938   39.553   5.0328   39.317   7.0382  1580.57  102.238  1567.03  145.084 13.53955 177.4881 
1 1 1  -12    9   11 o  1364.18   81.257   29.380   3.4553   29.541   4.2451   29.064   5.9476  1365.03  100.014  1345.07  143.428 19.95911 174.8550 
1 1 1  -12    9   13 o  1298.66   81.290   26.652   3.2889   25.608   4.0505   28.671   5.6348  1269.31  102.794  1336.29  136.586 -66.97559 170.9459 
1 1 1  -12    9   15 o  945.237   81.682   14.182   2.3938   13.046   2.9605   16.327   4.0686  901.743  106.933  1004.45  132.602 -102.7040 170.3468 
1 1 1  -12    9   17 o  640.994  113.560   6.7144   2.1958   6.7144   2.1958   0.0000   0.0000  640.994  113.560  ?   ?  0.000000 113.5601 
1 1 1  -12    9   19 o  1196.28   80.794   22.706   3.0087   24.486   3.7143   19.310   5.1309  1239.09   96.492  1082.75  155.826 156.3452 183.2821 
1 1 1  -12    9   21 o  917.430   83.153   13.431   2.3628   14.966   2.9294   10.574   3.9969  965.396   98.279  790.641  166.696 174.7551 193.5105 
1 1 1  -12    9   23 o  1417.35   82.528   31.950   3.6468   32.683   4.4991   30.547   6.2267  1427.99  101.278  1362.37  148.363 65.61365 179.6347 
1 1 1  -12    9   25 o  1193.37   82.786   22.712   3.0744   21.440   3.7864   25.174   5.2669  1152.51  106.113  1237.34  138.306 -84.82861 174.3230 
1 1 1  -12    9   27 o  1753.43   85.793   48.959   4.7104   49.879   5.7936   47.163   8.0905  1759.31  105.658  1683.18  155.256 76.12830 187.7979 
1 1 1  -12    9   29 o  2065.78   87.727   68.223   5.6746   70.115   6.9844   64.550   9.7333  2080.93  107.558  1957.57  160.194 123.3599 192.9527 
1 1 1  -12    9   31 o  1713.50  106.309   47.861   5.6757   47.526   8.0262   48.197   8.0273  1671.04  155.163  1683.89  153.946 -12.84607 218.5754 
1 1 1  -12    9   33 o  2050.03  112.147   69.092   7.1716   68.349   10.141   69.835   10.143  1985.64  164.594  2009.54  162.589 -23.89282 231.3573 
1 1 1  -12    9   35 o  914.133  110.466   13.864   3.0978   16.120   4.5180   11.862   4.2557  962.251  155.232  813.183  172.481 149.0680 232.0487 
1 1 1  -12    9   37 o  2933.96  132.061  143.655   12.132  147.298   17.212  140.058   17.104  2868.60  192.741  2789.08  197.118 79.52246 275.6892 
1 1 1  -12    9   39 o  398.056  134.392   2.5529   1.9881   1.4076   2.7730   3.7643   2.8517  376.387  152.091  474.229  160.954 -97.84225 221.4447 
1 1 1  -12    9   41 o  2912.99  132.874  143.598   12.120  134.431   17.117  152.815   17.163  2678.61  205.649  2889.22  190.788 -210.6089 280.5205 
1 1 1  -12    9   43 o  1335.87  107.674   29.806   4.4657   29.405   6.2740   30.217   6.3577  1280.67  159.943  1298.62  159.716 -17.95313 226.0338 
1 1 1  -12    9   45 f  2586.43  104.549  111.622   8.4672  108.625   10.423  117.438   14.521  2500.74  133.587  2484.32  188.058 16.41650 230.6758 
1 1 1  -12    9   47 o  1857.86   94.082   57.552   5.4553   52.972   6.7338   66.297   9.3054  1743.50  124.157  1892.77  158.465 -149.2657 201.3109 
1 1 1  -12    9   49 o  3134.63  119.339  174.692   11.713  169.061   14.381  185.794   20.191  2960.77  155.664  2802.68  232.166 158.0928 279.5214 
1 1 1  -12    9   51 o  957.690  102.951   16.630   3.0388   21.018   3.8291   9.1664   4.9944  1055.98  117.813  556.854  210.009 499.1297 240.7980 
1 1 1  -12    9   53 o  2180.77  104.751   91.200   7.1529   90.184   8.8174   93.155   12.233  2028.72  139.655  1662.55  242.091 366.1698 279.4844 
1 1 1  -12    9   55 o  1273.11  105.028   33.098   4.1495   32.158   5.1421   34.851   7.0258  1136.54  148.001  903.433  243.042 233.1099 284.5595 
1 1 1  -12    9   57 o  1739.74  117.683   70.896   6.3731   67.666   7.8458   77.161   10.927  1426.54  179.627  845.869  312.279 580.6746 360.2554 
1 1 1  -12    9   59 o  367.073  144.860   5.6179   2.4564   3.6397   3.0103   9.5599   4.2495  286.522  134.133  348.903  162.011 -62.38043 210.3307 
1 1 1  -12    9   61 f  1113.06  133.849   40.070   4.5715   42.382   5.7094   35.939   7.6307  808.760  219.736  343.704  171.730 465.0562 278.8814 
1 1 1  -12   10    2 o  541.893  114.946   4.8134   1.8900   4.8134   1.8900   0.0000   0.0000  541.893  114.946  ?   ?  0.000000 114.9460 
1 1 1  -12   10    4 o  403.906  101.599   2.6726   1.2838   2.3645   1.5739   3.2852   2.2191  386.639  118.654  455.599  141.068 -68.96051 184.3339 
1 1 1  -12   10    6 o  2056.00   88.922   66.554   5.7247   63.658   7.0295   72.257   9.8646  2004.35  112.458  2126.57  149.085 -122.2218 186.7440 
1 1 1  -12   10    8 o  3037.23  105.403  145.625   10.024  142.327   12.292  152.172   17.320  2995.92  131.034  3075.41  180.648 -79.49341 223.1673 
1 1 1  -12   10   10 o  591.032   90.163   5.6287   1.6158   6.0569   2.0327   4.8939   2.6631  609.815  110.521  545.729  150.823 64.08612 186.9827 
1 1 1  -12   10   12 f  1414.93   81.504   31.634   3.5958   31.971   4.4427   30.994   6.1224  1419.09  100.634  1387.38  142.981 31.71814 174.8451 
1 1 1  -12   10   14 f  1279.26   99.124   26.030   3.9396   25.126   5.6069   26.911   5.5366  1245.19  146.613  1291.28  139.130 -46.09229 202.1207 
1 1 1  -12   10   16 o  1688.92  148.592   46.149   7.7782   46.149   7.7782   0.0000   0.0000  1688.92  148.592  ?   ?  0.000000 148.5925 
1 1 1  -12   10   18 o  955.872  100.429   14.655   2.9610   12.875   4.1859   16.437   4.1890  879.890  157.723  1003.32  136.911 -123.4310 208.8568 
1 1 1  -12   10   20 f  519.784  118.789   4.4893   1.8911   3.7014   2.6714   5.2808   2.6776  482.026  155.510  561.177  149.638 -79.15125 215.8121 
1 1 1  -12   10   22 o  1606.79  103.030   41.318   5.1564   43.314   7.3207   39.352   7.2641  1628.32  145.100  1548.49  151.767 79.83313 209.9694 
1 1 1  -12   10   24 o  2113.39  110.577   71.735   7.2921   76.464   10.343   67.061   10.282  2156.96  154.159  2012.71  164.588 144.2490 225.5088 
1 1 1  -12   10   26 o  2482.34  118.342   99.401   9.1985  100.381   13.036   98.428   12.981  2450.88  170.937  2425.87  172.013 25.01001 242.5038 
1 1 1  -12   10   28 o  2308.27  114.988   86.233   8.3110   85.047   11.741   87.425   11.766  2246.09  168.168  2279.48  165.981 -33.39331 236.2844 
1 1 1  -12   10   30 o  896.415  105.139   13.164   2.8951   12.971   4.0623   13.364   4.1270  868.313  155.101  881.596  155.169 -13.28241 219.3940 
1 1 1  -12   10   32 o  1336.89  102.854   29.144   4.2726   29.662   6.0976   28.645   5.9886  1319.98  150.202  1296.90  150.251 23.07886 212.4530 
1 1 1  -12   10   34 o  2318.94  118.079   88.454   8.5456   85.674   12.118   91.204   12.052  2218.50  175.890  2298.50  168.637 -80.00098 243.6715 
1 1 1  -12   10   36 o  2983.07  132.908  147.713   12.415  148.015   17.589  147.414   17.525  2887.84  195.664  2882.55  195.319 5.295898 276.4672 
1 1 1  -12   10   38 o  1238.59  106.728   25.167   4.0989   24.807   5.9296   25.496   5.6723  1195.15  162.675  1219.34  151.855 -24.18970 222.5378 
1 1 1  -12   10   40 o  1731.75  110.573   49.476   5.9646   44.599   8.5167   54.170   8.3560  1585.72  174.408  1773.28  151.957 -187.5597 231.3205 
1 1 1  -12   10   42 o  2521.41  123.769  106.750   9.7718  107.438   13.838  106.065   13.801  2429.91  183.220  2412.76  184.061 17.15161 259.7075 
1 1 1  -12   10   44 o  275.590  117.074   0.2613   1.7614  -1.3038   2.2982   2.4897   2.7423  264.108  121.379  409.967  155.374 -145.8591 197.1647 
1 1 1  -12   10   46 o  1140.36  109.542   22.039   3.8633   19.783   5.3874   24.428   5.5431  1024.19  174.228  1157.39  157.005 -133.2050 234.5339 
1 1 1  -12   10   48 o  1022.21  113.516   18.237   3.5721   10.844   4.9434   26.314   5.1674  696.076  209.594  1198.83  140.311 -502.7501 252.2236 
1 1 1  -12   10   50 o  268.764  118.745   0.0971   1.9631   0.2368   2.5651  -0.1004   3.0500  301.960  134.451  313.453  142.443 -11.49380 195.8747 
1 1 1  -12   10   52 o  489.481  152.490   5.5968   2.5885   4.9725   3.4661   6.3840   3.8921  435.660  172.029  472.346  183.527 -36.68582 251.5470 
1 1 1  -12   10   54 o  761.852  145.806   13.635   3.3516   14.355   4.5535   12.784   4.9511  648.778  202.273  556.790  209.279 91.98822 291.0529 
1 1 1  -12   10   56 o  1843.07  160.613   95.186   9.1765   97.752   12.936   92.586   13.020  1018.14  342.811  894.888  338.696 123.2473 481.9075 
1 1 1  -12   10   58 o  1045.81  158.652   33.635   5.0323   33.260   6.9263   34.053   7.3238  604.677  241.760  560.596  238.449 44.08167 339.5673 
1 1 1  -12   10   60 o  1040.44  131.249   31.762   4.1808   30.909   5.1876   33.342   7.0620  731.214  213.353  427.653  201.827 303.5610 293.6900 
1 1 1  -12   11    1 o  1701.82  104.063   45.920   5.5187   47.063   7.8047   44.777   7.8045  1712.44  146.978  1668.91  150.982 43.53027 210.7082 
1 1 1  -12   11    3 o  693.194   87.549   7.6880   1.8579   8.7296   2.2663   5.5533   3.2445  736.991  100.853  582.360  168.388 154.6312 196.2799 
1 1 1  -12   11    5 o  1712.10  103.528   46.461   5.5240   46.258   7.7940   46.665   7.8305  1697.60  148.108  1705.09  148.137 -7.482178 209.4767 
1 1 1  -12   11    7 o  1386.51   99.989   30.506   4.3119   30.874   6.0932   30.136   6.1027  1385.49  142.482  1368.11  144.650 17.38696 203.0392 
1 1 1  -12   11    9 o  329.161  114.846   1.5314   1.4551   3.7663   2.0675  -0.6624   2.0484  479.496  133.030  273.243  120.981 206.2534 179.8150 
1 1 1  -12   11   11 o  1127.31   98.219   20.232   3.4324   21.374   4.8984   19.131   4.8109  1149.74  138.878  1085.25  145.214 64.48975 200.9335 
1 1 1  -12   11   13 o  1212.01   98.762   23.390   3.7155   23.062   5.2935   23.708   5.2164  1192.12  144.781  1210.20  140.258 -18.07642 201.5783 
1 1 1  -12   11   15 f  2031.34  157.301   66.898   9.9273   66.898   9.9273   0.0000   0.0000  2031.34  157.301  ?   ?  0.000000 157.3010 
1 1 1  -12   11   17 o  1661.60  102.896   44.004   5.3272   37.677   7.5097   50.413   7.5582  1517.57  160.469  1767.00  137.692 -249.4268 211.4461 
1 1 1  -12   11   19 o  231.972   98.593   0.0287   1.2503  -1.6905   1.7737   1.7267   1.7628  221.191  103.360  353.190  126.117 -131.9996 163.0604 
1 1 1  -12   11   21 o  1373.38  100.292   30.159   4.2831   34.936   6.1050   25.528   6.0106  1467.06  134.391  1243.55  157.921 223.5175 207.3646 
1 1 1  -12   11   23 o  2130.02  160.590   74.654   10.632   0.0000   0.0000   74.654   10.632  ?   ?   2130.02  160.590 0.000000 160.5901 
1 1 1  -12   11   25 o  2001.97  109.834   64.465   6.8588   63.629   9.7028   65.300   9.6969  1960.46  159.441  1987.75  157.075 -27.29248 223.8174 
1 1 1  -12   11   27 o  639.854  119.980   6.8254   2.3155   6.7180   3.2864   6.9313   3.2631  623.659  165.533  633.646  163.404 -9.986145 232.5984 
1 1 1  -12   11   29 o  1133.21  101.907   20.845   3.5774   22.650   5.1054   19.104   5.0141  1162.41  143.301  1060.10  155.692 102.3073 211.6018 
1 1 1  -12   11   31 f  1805.04  106.957   52.967   6.0183   48.936   8.4788   57.061   8.5439  1695.31  161.683  1842.12  149.410 -146.8112 220.1466 
1 1 1  -12   11   33 o  1460.94  103.538   34.677   4.7057   33.799   6.6147   35.578   6.6957  1413.40  151.842  1452.12  149.389 -38.71716 213.0100 
1 1 1  -12   11   35 o  1203.82  104.108   23.595   3.8857   26.837   5.6483   20.682   5.3539  1262.38  145.560  1098.28  160.415 164.0964 216.6118 
1 1 1  -12   11   37 o  3088.03  135.722  158.206   13.123  154.853   18.586  161.541   18.533  2950.98  202.362  3023.94  196.801 -72.95605 282.2788 
1 1 1  -12   11   39 o  626.457  134.504   6.7659   2.5596   7.9074   3.7859   5.8048   3.4738  660.973  178.662  571.781  176.410 89.19135 251.0789 
1 1 1  -12   11   41 o  434.077  141.795   3.1596   2.2172   5.3309   3.2985   1.3697   2.9948  546.437  172.434  383.693  156.930 162.7447 233.1532 
1 1 1  -12   11   43 o  1940.31  113.831   62.762   6.8856   60.365   9.7893   65.108   9.6870  1832.75  172.614  1917.00  162.923 -84.25073 237.3598 
1 1 1  -12   11   45 o  639.864  133.021   7.2363   2.5782   4.0512   3.5218   10.915   3.7847  486.097  177.623  770.694  161.978 -284.5971 240.3887 
1 1 1  -12   11   47 f  2221.33  120.618   85.458   8.3582   77.109   11.764   93.968   11.877  1969.39  193.257  2223.39  171.940 -253.9976 258.6725 
1 1 1  -12   11   49 o  2793.74  142.527  148.384   12.427  131.580   17.528  165.365   17.620  2247.82  253.456  2682.45  211.496 -434.6211 330.1065 
1 1 1  -12   11   51 f  1416.58  117.053   38.026   5.1456   33.369   7.1303   43.086   7.4329  1143.09  206.824  1366.87  177.881 -223.7803 272.7968 
1 1 1  -12   11   53 o  2981.62  228.233  285.509   21.146  260.030   29.861  311.140   29.950  905.066  423.304  1344.11  512.495 -439.0413 664.7084 
1 1 1  -12   11   55 o  936.886  137.780   20.578   3.9212   20.069   5.3238   21.181   5.7973  714.900  218.016  685.450  229.502 29.45013 316.5469 
1 1 1  -12   11   57 o  1075.60  152.880   32.162   5.0040   36.843   6.8761   26.893   7.2961  832.799  246.391  521.841  229.824 310.9572 336.9386 
1 1 1  -12   11   59 o  815.888  180.166   25.082   4.4798   26.566   6.0798   23.320   6.6262  519.221  218.870  411.799  194.696 107.4218 292.9348 
1 1 1  -12   12    2 o  2317.33  112.662   85.074   8.1749   95.081   11.627   75.291   11.496  2433.18  153.394  2157.13  171.618 276.0479 230.1790 
1 1 1  -12   12    4 o  1957.27  106.514   60.786   6.5034   68.599   9.2855   53.262   9.1113  2068.52  144.263  1815.70  161.958 252.8173 216.8923 
1 1 1  -12   12    6 o  2367.15  166.413   90.435   12.256   90.435   12.256   0.0000   0.0000  2367.15  166.413  ?   ?  0.000000 166.4132 
1 1 1  -12   12    8 o  2246.35  111.854   79.977   7.8676   76.330   11.109   83.647   11.144  2173.52  164.453  2278.84  157.130 -105.3191 227.4519 
1 1 1  -12   12   10 o  197.831   88.773  -0.5337   1.1417  -2.4441   1.7693   0.8293   1.4944  203.950   97.600  291.280  113.570 -87.33067 149.7463 
1 1 1  -12   12   12 o  392.523  123.499   2.4282   1.6931   1.0635   2.4780   3.6232   2.3188  360.938  144.501  473.782  143.748 -112.8441 203.8230 
1 1 1  -12   12   14 o  722.876  107.337   8.4674   2.3558   9.3139   3.3491   7.6384   3.3144  749.184  148.015  675.185  159.337 73.99908 217.4782 
1 1 1  -12   12   16 f  321.806  116.106   1.3875   1.4979   0.5666   2.1914   2.1075   2.0522  324.623  133.674  385.924  136.260 -61.30078 190.8807 
1 1 1  -12   12   18 o  1245.24  100.159   24.766   3.8723   24.043   5.5006   25.478   5.4523  1212.82  147.907  1251.06  141.680 -38.23657 204.8161 
1 1 1  -12   12   20 o  1220.65   98.034   23.811   3.7154   28.548   5.3746   19.475   5.1418  1327.32  131.027  1085.85  155.680 241.4651 203.4811 
1 1 1  -12   12   22 o  462.606  153.600   3.3449   2.5979   0.0000   0.0000   3.3449   2.5979  ?   ?   462.606  153.600 0.000000 153.5998 
1 1 1  -12   12   24 o  1730.60  104.399   48.034   5.6309   55.264   8.0113   40.974   7.9161  1839.68  140.126  1570.86  163.325 268.8214 215.1984 
1 1 1  -12   12   26 o  465.199  130.905   3.6205   1.9872   2.7495   2.8354   4.4614   2.7860  439.426  159.557  516.560  157.752 -77.13382 224.3753 
1 1 1  -12   12   28 f  1114.64  103.911   20.149   3.5849   21.225   5.0883   19.089   5.0515  1125.07  148.029  1062.02  156.605 63.05383 215.4940 
1 1 1  -12   12   30 o  706.148  167.082   8.6993   3.6367   8.6993   3.6367   0.0000   0.0000  706.148  167.082  ?   ?  0.000000 167.0820 
1 1 1  -12   12   32 o  2748.31  125.962  123.335   10.840  123.298   15.356  123.370   15.303  2681.46  184.008  2683.22  183.238 -1.764404 259.6832 
1 1 1  -12   12   34 o  1713.16  107.717   47.560   5.7489   47.266   8.1736   47.848   8.0873  1676.22  157.578  1688.69  154.665 -12.47083 220.7989 
1 1 1  -12   12   36 f  570.132  138.508   5.5709   2.4482   2.9193   3.5167   8.0646   3.4104  463.623  175.891  679.773  162.440 -216.1497 239.4256 
1 1 1  -12   12   38 o  1193.93  107.644   23.330   3.9810   25.615   5.7465   21.221   5.5203  1225.61  153.075  1107.56  164.146 118.0529 224.4456 
1 1 1  -12   12   40 o  3798.36  158.598  247.181   18.863  233.450   26.691  260.883   26.662  3482.26  246.376  3727.25  229.561 -244.9854 336.7484 
1 1 1  -12   12   42 o  3747.75  158.614  243.303   18.614  235.802   26.351  250.773   26.296  3464.94  244.441  3602.67  234.382 -137.7300 338.6536 
1 1 1  -12   12   44 o  2622.74  127.517  116.230   10.472  110.634   14.812  121.824   14.809  2436.71  195.778  2580.13  184.514 -143.4146 269.0244 
1 1 1  -12   12   46 o  1586.62  112.033   42.669   5.5302   33.401   7.7998   52.037   7.8420  1306.29  196.798  1705.50  148.322 -399.2102 246.4320 
1 1 1  -12   12   48 o  202.417   96.839  -2.0037   1.7390  -1.6029   2.1934  -2.6821   2.8534  243.326  114.097  261.726  124.889 -18.39998 169.1609 
1 1 1  -12   12   50 o  400.749  145.801   3.2056   2.3693   4.9240   3.0814   0.7205   3.7056  469.162  166.826  349.148  158.004 120.0148 229.7747 
1 1 1  -12   12   52 o  2126.27  133.074   92.890   8.8153   80.253   12.352  106.008   12.585  1522.96  268.844  1971.38  206.965 -448.4233 339.2809 
1 1 1  -12   12   54 o  606.166  204.082   13.049   4.5844   13.049   4.5844   0.0000   0.0000  606.166  204.082  ?   ?  0.000000 204.0821 
1 1 1  -12   12   56 o  1420.77  143.127   50.437   6.2807   52.978   8.6746   47.636   9.1054  1042.25  265.165  807.247  286.803 235.0026 390.6003 
1 1 1  -12   12   58 o  322.593  141.425   3.8196   2.7351   4.2285   3.4674   3.1461   4.4497  316.488  146.743  292.928  143.517 23.55975 205.2575 
1 1 1  -12   13    1 o  2298.75  164.335   85.375   11.751   0.0000   0.0000   85.375   11.751  ?   ?   2298.75  164.335 0.000000 164.3351 
1 1 1  -12   13    3 o  2031.03  156.966   66.537   9.9050   0.0000   0.0000   66.537   9.9050  ?   ?   2031.03  156.966 0.000000 156.9656 
1 1 1  -12   13    5 o  1452.30  146.666   34.055   6.5783   0.0000   0.0000   34.055   6.5783  ?   ?   1452.30  146.666 0.000000 146.6663 
1 1 1  -12   13    7 o  1221.21  102.595   23.762   3.8868   27.707   5.6357   20.184   5.3676  1310.31  139.504  1110.78  158.849 199.5345 211.4098 
1 1 1  -12   13    9 o  366.570  150.542   0.7671   2.7701   0.7671   2.7701   0.0000   0.0000  366.570  150.542  ?   ?  0.000000 150.5421 
1 1 1  -12   13   11 o  549.715  124.754   4.9988   2.0982   7.3162   3.3297   3.4726   2.7022  661.261  162.070  474.290  156.614 186.9711 225.3766 
1 1 1  -12   13   13 o  2042.82  108.517   66.403   6.9165   71.630   9.8759   61.372   9.6895  2106.51  150.722  1945.10  160.524 161.4111 220.1933 
1 1 1  -12   13   15 o  970.775  103.820   15.112   3.1069   13.167   4.4413   16.975   4.3478  889.262  165.596  1020.39  139.751 -131.1268 216.6848 
1 1 1  -12   13   17 o  1358.77  101.146   29.448   4.2726   31.877   6.0901   27.093   5.9956  1402.39  140.582  1288.22  151.534 114.1683 206.7018 
1 1 1  -12   13   19 o  1732.47  105.083   47.901   5.6736   46.849   8.0214   48.954   8.0260  1695.58  152.721  1735.06  149.181 -39.47522 213.4918 
1 1 1  -12   13   21 o  1923.46  155.230   60.496   9.2696   0.0000   0.0000   60.496   9.2696  ?   ?   1923.46  155.230 0.000000 155.2300 
1 1 1  -12   13   23 o  533.890  127.973   4.7738   2.1115   4.7745   3.0884   4.7731   2.8935  537.429  166.423  535.318  160.165 2.111816 230.9747 
1 1 1  -12   13   25 o  397.283  130.820   2.4723   1.8859   1.7802   2.6785   3.1527   2.6558  394.578  152.543  452.692  155.311 -58.11359 217.6947 
1 1 1  -12   13   27 o  1939.24  159.631   62.698   9.6071   0.0000   0.0000   62.698   9.6071  ?   ?   1939.24  159.631 0.000000 159.6310 
1 1 1  -12   13   29 o  1183.72  104.798   22.674   3.8442   27.474   5.4916   18.062   5.3831  1289.26  138.187  1026.50  173.670 262.7535 221.9392 
1 1 1  -12   13   31 o  1899.58  110.356   58.283   6.5358   50.774   9.2714   65.701   9.2147  1734.27  173.042  1992.84  148.742 -258.5702 228.1835 
1 1 1  -12   13   33 o  514.612  135.565   4.4826   2.2149   2.3177   3.1387   6.6301   3.1261  432.274  165.648  620.578  159.885 -188.3035 230.2224 
1 1 1  -12   13   35 f  2615.52  123.145  111.289   10.085  110.945   14.291  111.630   14.235  2552.87  179.932  2562.34  178.535 -9.467773 253.4759 
1 1 1  -12   13   37 o  383.398  138.066   2.1216   2.1169   2.3093   3.0514   1.9476   2.9392  425.688  163.279  407.984  159.218 17.70383 228.0577 
1 1 1  -12   13   39 o  2760.54  128.190  125.821   11.081  122.664   15.683  128.968   15.657  2639.14  191.077  2715.26  185.264 -76.11621 266.1450 
1 1 1  -12   13   41 o  1706.85  111.440   47.896   5.9233   45.011   8.3954   50.755   8.3583  1605.64  169.548  1717.96  157.117 -112.3188 231.1545 
1 1 1  -12   13   43 o  2772.92  130.042  129.142   11.291  113.970   15.954  144.368   15.982  2473.69  207.899  2840.32  180.642 -366.6279 275.4149 
1 1 1  -12   13   45 o  1259.04  113.599   26.750   4.4302   30.426   6.2266   22.981   6.3047  1304.21  155.540  1099.72  189.958 204.4869 245.5130 
1 1 1  -12   13   47 o  1456.83  115.703   36.920   5.2346   36.241   7.3168   37.631   7.4918  1359.89  175.957  1384.47  176.859 -24.57947 249.4798 
1 1 1  -12   13   49 f  959.368  131.016   17.340   3.8328   17.926   5.3933   16.741   5.4480  881.589  199.973  835.635  208.803 45.95459 289.1158 
1 1 1  -12   13   51 o  767.909  141.982   12.156   3.2882   13.658   4.4028   10.261   4.9448  741.815  189.007  581.267  210.764 160.5482 283.0987 
1 1 1  -12   13   53 o  674.034  200.110   13.673   4.5297   13.673   4.5297   0.0000   0.0000  674.034  200.110  ?   ?  0.000000 200.1098 
1 1 1  -12   13   55 o  639.840  159.114   10.724   3.1744   5.8877   4.0390   18.539   5.1341  400.651  173.809  708.883  213.633 -308.2319 275.4063 
1 1 1  -12   13   57 o  1891.08  171.474  108.663   10.043  102.071   13.987  115.680   14.430  788.459  332.146  909.239  353.356 -120.7791 484.9551 
1 1 1  -12   14    2 o  955.651  110.353   14.654   3.2415   18.562   4.7820   11.332   4.4089  1068.28  146.842  823.537  176.295 244.7433 229.4394 
1 1 1  -12   14    4 o  1304.77  148.932   27.563   5.9756   0.0000   0.0000   27.563   5.9756  ?   ?   1304.77  148.932 0.000000 148.9316 
1 1 1  -12   14    6 o  1124.61  147.385   20.550   5.0652   0.0000   0.0000   20.550   5.0652  ?   ?   1124.61  147.385 0.000000 147.3852 
1 1 1  -12   14   10 o  1085.34  147.406   19.183   4.8799   0.0000   0.0000   19.183   4.8799  ?   ?   1085.34  147.406 0.000000 147.4058 
1 1 1  -12   14   12 o  993.680  151.230   16.178   4.5570   0.0000   0.0000   16.178   4.5570  ?   ?   993.680  151.230 0.000000 151.2303 
1 1 1  -12   14   14 o  1334.12  102.748   28.370   4.2592   31.574   6.1533   25.423   5.9015  1396.87  142.684  1248.44  154.245 148.4301 210.1201 
1 1 1  -12   14   16 o  1366.69  103.094   29.794   4.3794   32.376   6.3245   27.416   6.0700  1412.68  145.035  1296.43  152.441 116.2513 210.4120 
1 1 1  -12   14   18 o  1955.44  158.819   62.306   9.6404   62.306   9.6404   0.0000   0.0000  1955.44  158.819  ?   ?  0.000000 158.8193 
1 1 1  -12   14   20 o  757.425  157.959   9.6439   3.6250   0.0000   0.0000   9.6439   3.6250  ?   ?   757.425  157.959 0.000000 157.9591 
1 1 1  -12   14   22 o  1975.17  161.063   64.226   9.8746   64.226   9.8746   0.0000   0.0000  1975.17  161.063  ?   ?  0.000000 161.0628 
1 1 1  -12   14   24 o  2735.67  124.420  120.690   10.658  119.727   15.089  121.649   15.056  2676.49  181.113  2699.84  179.110 -23.34985 254.7197 
1 1 1  -12   14   26 o  1511.91  105.877   36.773   4.9807   36.346   7.0091   37.209   7.0791  1481.74  153.284  1499.58  152.902 -17.83752 216.5061 
1 1 1  -12   14   28 o  1722.09  107.795   47.707   5.7834   49.207   8.1398   46.178   8.2186  1726.63  152.109  1668.18  159.275 58.45715 220.2397 
1 1 1  -12   14   30 o  431.810  141.823   2.9435   2.2170   0.1789   3.1245   5.7465   3.1462  363.430  155.194  581.679  165.075 -218.2485 226.5722 
1 1 1  -12   14   32 o  1198.51  107.890   23.208   4.0055   26.378   5.6671   20.044   5.6622  1262.87  146.006  1087.51  171.998 175.3561 225.6122 
1 1 1  -12   14   34 o  566.715  142.154   5.4579   2.5182   2.9094   3.5855   7.9387   3.5375  469.719  177.748  677.876  167.606 -208.1563 244.3073 
1 1 1  -12   14   36 o  402.158  139.870   2.4453   2.1575   2.8845   3.1650   2.0640   2.9488  453.377  167.929  414.381  160.096 38.99615 232.0150 
1 1 1  -12   14   38 o  2203.17  116.612   79.217   8.0160   75.703   11.333   82.736   11.340  2102.60  173.683  2207.37  165.271 -104.7666 239.7503 
1 1 1  -12   14   40 o  1227.73  110.986   24.723   4.2205   20.513   5.9470   28.996   5.9907  1076.90  182.906  1307.68  148.964 -230.7842 235.8911 
1 1 1  -12   14   42 o  3275.78  143.137  181.091   14.682  169.923   20.769  192.247   20.758  3021.85  221.030  3250.58  204.989 -228.7224 301.4542 
1 1 1  -12   14   44 o  1954.49  116.097   63.930   7.0732   57.933   9.9680   70.012   10.038  1780.80  181.289  1985.47  162.904 -204.6678 243.7283 
1 1 1  -12   14   46 o  670.522  148.187   8.3456   3.0285   5.0889   4.1433   12.081   4.4376  516.472  191.970  778.532  184.802 -262.0600 266.4663 
1 1 1  -12   14   48 o  2294.81  128.911   96.178   9.2255   82.250   12.970  110.440   13.125  1871.39  225.911  2297.58  183.982 -426.1904 291.3504 
1 1 1  -12   14   50 o  416.317  156.835   3.5867   2.7837   6.0721   3.7237   0.4385   4.1909  500.736  182.694  355.620  163.612 145.1166 245.2466 
1 1 1  -12   14   52 o  1768.62  243.844   96.914   13.145   96.914   13.145   0.0000   0.0000  1768.62  243.844  ?   ?  0.000000 243.8441 
1 1 1  -12   14   54 o  1332.46  130.620   38.077   5.3797   34.938   7.2121   42.015   8.0774  1020.02  231.152  1092.93  242.379 -72.90820 334.9315 
1 1 1  -12   14   56 o  2014.12  162.222  109.427   10.144  105.136   14.074  114.067   14.635  1085.28  357.372  1129.47  363.936 -44.19666 510.0634 
1 1 1  -12   15    1 f  3216.52  195.200  168.509   19.567  168.509   19.567   0.0000   0.0000  3216.52  195.200  ?   ?  0.000000 195.1996 
1 1 1  -12   15    3 o  2636.49  176.134  112.538   14.457  112.538   14.457   0.0000   0.0000  2636.49  176.134  ?   ?  0.000000 176.1337 
1 1 1  -12   15    5 o  2843.42  183.396  131.207   16.241  131.207   16.241   0.0000   0.0000  2843.42  183.396  ?   ?  0.000000 183.3961 
1 1 1  -12   15    7 o  1037.55  110.677   17.245   3.5402   18.994   5.3135   15.848   4.7475  1076.30  162.743  982.064  159.886 94.23755 228.1418 
1 1 1  -12   15    9 o  816.718  119.999   10.812   2.9773   14.059   4.5586   8.3963   3.9316  922.335  163.846  707.474  177.712 214.8611 241.7173 
1 1 1  -12   15   11 f  1818.48  154.291   53.440   8.7026   0.0000   0.0000   53.440   8.7026  ?   ?   1818.48  154.291 0.000000 154.2906 
1 1 1  -12   15   15 o  870.620  159.946   12.590   4.1996   0.0000   0.0000   12.590   4.1996  ?   ?   870.620  159.946 0.000000 159.9460 
1 1 1  -12   15   19 o  445.953  161.363   2.7572   2.8963   0.0000   0.0000   2.7572   2.8963  ?   ?   445.953  161.363 0.000000 161.3628 
1 1 1  -12   15   21 o  2329.62  167.197   89.238   12.115   0.0000   0.0000   89.238   12.115  ?   ?   2329.62  167.197 0.000000 167.1968 
1 1 1  -12   15   23 f  2195.85  166.373   79.477   11.354   79.477   11.354   0.0000   0.0000  2195.85  166.373  ?   ?  0.000000 166.3730 
1 1 1  -12   15   25 o  1721.30  109.717   47.542   5.8827   48.975   8.3965   46.160   8.2445  1725.63  157.115  1673.85  159.219 51.77600 223.6867 
1 1 1  -12   15   27 o  1470.02  157.535   35.620   7.1384   35.620   7.1384   0.0000   0.0000  1470.02  157.535  ?   ?  0.000000 157.5347 
1 1 1  -12   15   29 o  2103.36  114.038   71.026   7.4826   75.137   10.646   67.012   10.519  2138.26  160.163  2013.77  168.372 124.4896 232.3826 
1 1 1  -12   15   31 o  1050.74  116.312   17.914   3.7626   19.080   5.4250   16.834   5.2231  1065.62  168.164  997.486  173.526 68.13129 241.6413 
1 1 1  -12   15   33 o  2969.32  131.017  142.877   12.182  142.086   17.233  143.667   17.222  2901.81  190.717  2919.38  189.421 -17.57129 268.7992 
1 1 1  -12   15   35 o  3855.86  155.278  245.710   18.748  238.195   26.516  253.222   26.511  3675.23  231.594  3804.11  223.546 -128.8823 321.8833 
1 1 1  -12   15   37 o  1800.22  111.876   52.557   6.2752   51.951   8.8248   53.176   8.9249  1757.01  162.235  1777.82  162.107 -20.81787 229.3443 
1 1 1  -12   15   39 o  1455.51  111.962   34.537   5.0636   37.228   7.0833   31.725   7.2412  1485.71  154.520  1357.46  174.393 128.2466 233.0008 
1 1 1  -12   15   41 o  2066.75  170.385   73.756   10.928   73.756   10.928   0.0000   0.0000  2066.75  170.385  ?   ?  0.000000 170.3846 
1 1 1  -12   15   43 o  1879.06  115.187   58.665   6.7447   58.294   9.4982   59.043   9.5791  1814.45  169.127  1825.69  169.498 -11.23047 239.4438 
1 1 1  -12   15   45 o  1717.78  116.234   50.259   6.2152   53.855   8.7530   46.603   8.8267  1710.19  165.525  1564.28  183.701 145.9098 247.2743 
1 1 1  -12   15   47 o  2597.93  135.858  122.802   11.013  119.415   15.493  126.261   15.659  2334.96  214.295  2417.83  208.880 -82.86572 299.2547 
1 1 1  -12   15   49 o  691.823  159.247   9.8823   3.3782   3.7911   4.4159   18.478   5.2456  442.290  186.491  909.729  190.266 -467.4385 266.4207 
1 1 1  -12   15   51 o  1482.60  209.485   56.084   9.4542   56.084   9.4542   0.0000   0.0000  1482.60  209.485  ?   ?  0.000000 209.4854 
1 1 1  -12   15   53 o  943.421  157.663   20.309   4.4931   25.878   6.0144   13.275   6.7592  964.887  205.370  534.525  228.257 430.3618 307.0478 
1 1 1  -12   15   55 o  509.694  177.336   8.1599   3.4683   2.4246   4.4201   17.348   5.5947  340.528  160.395  637.671  224.999 -297.1436 276.3169 
1 1 1  -12   16    2 o  992.616  123.897   15.889   3.7670   21.635   5.3291   10.151   5.3256  1153.50  151.183  775.453  212.861 378.0482 261.0863 
1 1 1  -12   16    6 o  1425.70  111.692   32.408   4.9463   34.386   7.0183   30.455   6.9722  1456.66  156.314  1366.81  166.338 89.85071 228.2602 
1 1 1  -12   16    8 o  952.259  183.028   15.131   5.2592   15.131   5.2592   0.0000   0.0000  952.259  183.028  ?   ?  0.000000 183.0279 
1 1 1  -12   16   10 f  1406.68  162.840   32.242   7.0399   32.242   7.0399   0.0000   0.0000  1406.68  162.840  ?   ?  0.000000 162.8401 
1 1 1  -12   16   12 o  784.196  192.590   10.413   4.6946   10.413   4.6946   0.0000   0.0000  784.196  192.590  ?   ?  0.000000 192.5902 
1 1 1  -12   16   14 o  1904.61  109.223   57.800   6.4866   62.988   9.2733   52.830   9.0767  1973.13  151.245  1801.47  162.665 171.6567 222.1151 
1 1 1  -12   16   16 o  913.658  181.638   14.059   5.0134   14.059   5.0134   0.0000   0.0000  913.658  181.638  ?   ?  0.000000 181.6380 
1 1 1  -12   16   18 o  333.367  140.749   0.2457   2.5207   0.0000   0.0000   0.2457   2.5207  ?   ?   333.367  140.749 0.000000 140.7495 
1 1 1  -12   16   20 o  925.313  162.096   14.274   4.5254   0.0000   0.0000   14.274   4.5254  ?   ?   925.313  162.096 0.000000 162.0963 
1 1 1  -12   16   22 o  601.831  172.405   6.0726   3.4154   0.0000   0.0000   6.0726   3.4154  ?   ?   601.831  172.405 0.000000 172.4052 
1 1 1  -12   16   24 o  1560.79  157.609   39.869   7.5971   0.0000   0.0000   39.869   7.5971  ?   ?   1560.79  157.609 0.000000 157.6086 
1 1 1  -12   16   26 o  1728.73  158.963   48.865   8.5084   0.0000   0.0000   48.865   8.5084  ?   ?   1728.73  158.963 0.000000 158.9632 
1 1 1  -12   16   30 o  1321.35  111.745   28.076   4.5801   36.734   6.6280   20.164   6.3362  1500.97  142.743  1088.91  192.892 412.0609 239.9644 
1 1 1  -12   16   32 o  702.051  145.745   8.2843   3.0991   6.9307   4.3013   9.7455   4.4689  639.430  196.139  750.651  189.968 -111.2213 273.0537 
1 1 1  -12   16   34 o  2364.92  119.780   90.325   8.8409   93.317   12.524   87.352   12.482  2367.76  170.053  2285.92  175.733 81.83691 244.5407 
1 1 1  -12   16   36 o  1403.72  115.230   31.965   5.0202   31.021   7.1241   32.897   7.0753  1354.67  171.813  1399.63  164.583 -44.96130 237.9226 
1 1 1  -12   16   38 o  4111.05  164.647  282.599   21.194  267.250   29.989  297.917   29.958  3834.74  251.142  4083.68  235.278 -248.9404 344.1343 
1 1 1  -12   16   40 o  987.360  132.788   16.306   4.0013   9.9197   5.6942   22.536   5.6238  732.377  225.844  1147.49  160.945 -415.1089 277.3246 
1 1 1  -12   16   42 o  2692.24  130.200  121.101   10.976  112.436   15.534  129.739   15.511  2483.09  201.528  2698.22  184.697 -215.1272 273.3610 
1 1 1  -12   16   44 o  321.233  141.042  -0.0843   2.7293   1.8670   3.7054  -2.3988   4.0355  417.824  173.099  336.395  156.759 81.42932 233.5310 
1 1 1  -12   16   46 o  946.711  142.060   16.384   4.0812   15.241   5.5227   17.759   6.0579  840.931  210.286  902.485  217.032 -61.55365 302.1966 
1 1 1  -12   16   48 o  421.901  164.584   3.2239   3.1397  -2.7690   4.2020   10.799   4.7242  319.200  152.104  678.618  205.019 -359.4177 255.2807 
1 1 1  -12   16   50 f  1302.60  197.093   39.462   7.7877   39.462   7.7877   0.0000   0.0000  1302.60  197.093  ?   ?  0.000000 197.0932 
1 1 1  -12   16   52 o  706.021  175.554   11.920   3.8646   9.6811   5.0535   15.074   5.9978  549.822  210.307  659.783  232.946 -109.9609 313.8361 
1 1 1  -12   16   54 o  1716.11  144.770   65.613   7.7067   74.235   10.635   56.079   11.183  1535.39  228.145  1008.79  317.401 526.6039 390.8883 
1 1 1  -12   17    3 o  1048.61  174.185   18.169   5.5186   18.169   5.5186   0.0000   0.0000  1048.61  174.185  ?   ?  0.000000 174.1847 
1 1 1  -12   17    5 o  3143.38  194.256  161.181   19.026  161.181   19.026   0.0000   0.0000  3143.38  194.256  ?   ?  0.000000 194.2564 
1 1 1  -12   17    7 o  624.635  196.138   6.3287   4.2729   6.3287   4.2729   0.0000   0.0000  624.635  196.138  ?   ?  0.000000 196.1377 
1 1 1  -12   17    9 o  2536.67  175.874  104.517   13.883   0.0000   0.0000  104.517   13.883  ?   ?   2536.67  175.874 0.000000 175.8741 
1 1 1  -12   17   11 o  731.141  199.821   9.0253   4.7051   9.0253   4.7051   0.0000   0.0000  731.141  199.821  ?   ?  0.000000 199.8211 
1 1 1  -12   17   13 o  2276.74  117.885   82.659   8.3753   85.295   11.871   80.046   11.818  2292.42  166.510  2218.03  171.497 74.38989 239.0336 
1 1 1  -12   17   15 o  1097.68  157.915   19.780   5.2715   0.0000   0.0000   19.780   5.2715  ?   ?   1097.68  157.915 0.000000 157.9153 
1 1 1  -12   17   17 o  808.648  128.400   10.683   3.1425   9.9888   4.7929   11.206   4.1620  766.511  198.218  818.296  168.059 -51.78522 259.8731 
1 1 1  -12   17   19 o  631.583  146.910   6.6556   2.8506   10.589   4.2979   3.5666   3.8089  792.684  177.564  508.628  184.893 284.0567 256.3480 
1 1 1  -12   17   21 o  1124.83  114.676   20.321   3.9825   17.274   5.8951   22.880   5.4015  1012.97  192.902  1184.59  148.914 -171.6172 243.6941 
1 1 1  -12   17   23 f  2031.31  113.796   65.804   7.2089   66.908   10.189   64.698   10.201  2029.72  161.650  1994.31  164.838 35.40930 230.8728 
1 1 1  -12   17   25 f  3087.71  193.993  156.767   18.661   0.0000   0.0000  156.767   18.661  ?   ?   3087.71  193.993 0.000000 193.9926 
1 1 1  -12   17   27 o  2952.62  189.447  143.458   17.423   0.0000   0.0000  143.458   17.423  ?   ?   2952.62  189.447 0.000000 189.4473 
1 1 1  -12   17   31 o  1583.56  165.989   41.385   8.1082   0.0000   0.0000   41.385   8.1082  ?   ?   1583.56  165.989 0.000000 165.9886 
1 1 1  -12   17   41 o  2224.85  123.273   81.977   8.5543   75.047   12.082   88.943   12.113  2053.49  190.061  2260.09  172.466 -206.5977 256.6467 
1 1 1  -12   17   43 o  1405.91  123.641   33.527   5.3876   25.581   7.5432   41.801   7.6977  1138.66  219.524  1529.06  163.301 -390.3967 273.6017 
1 1 1  -12   17   45 o  1016.26  145.253   18.679   4.4907   16.217   6.1356   21.519   6.5903  864.834  224.578  1017.50  213.650 -152.6676 309.9706 
1 1 1  -12   17   47 o  1463.37  131.168   38.699   5.9465   31.104   8.2776   46.799   8.5483  1153.58  237.084  1519.36  183.389 -365.7802 299.7340 
1 1 1  -12   17   49 o  814.367  175.105   14.072   4.3324   7.9503   6.0395   20.562   6.2184  545.311  222.922  920.073  219.003 -374.7624 312.5006 
1 1 1  -12   17   51 o  716.400  194.105   12.655   4.4624   13.160   6.0455   12.050   6.6146  639.432  232.861  588.186  235.871 51.24609 331.4499 
1 1 1  -12   17   53 o  653.075  195.048   11.831   4.2940   9.9073   5.5931   14.593   6.7011  520.599  213.869  584.869  236.395 -64.26935 318.7829 
1 1 1  -12   18    2 o  804.802  147.121   10.651   3.5709   13.020   4.8988   7.9656   5.2161  882.925  183.195  697.285  216.343 185.6404 283.4868 
1 1 1  -12   18    4 o  1168.36  178.906   22.473   6.3368   0.0000   0.0000   22.473   6.3368  ?   ?   1168.36  178.906 0.000000 178.9058 
1 1 1  -12   18    6 o  738.380  196.218   9.1605   4.6141   9.1605   4.6141   0.0000   0.0000  738.380  196.218  ?   ?  0.000000 196.2176 
1 1 1  -12   18    8 o  2044.77  164.186   67.558   10.424   67.558   10.424   0.0000   0.0000  2044.77  164.186  ?   ?  0.000000 164.1862 
1 1 1  -12   18   10 o  1515.19  161.647   37.244   7.5509   37.244   7.5509   0.0000   0.0000  1515.19  161.647  ?   ?  0.000000 161.6474 
1 1 1  -12   18   12 o  974.720  191.947   15.901   5.6499   15.901   5.6499   0.0000   0.0000  974.720  191.947  ?   ?  0.000000 191.9471 
1 1 1  -12   18   14 o  561.366  201.277   4.4593   4.4943   4.4593   4.4943   0.0000   0.0000  561.366  201.277  ?   ?  0.000000 201.2769 
1 1 1  -12   18   16 o  1245.39  118.130   24.830   4.5515   21.553   6.4889   28.003   6.3860  1139.94  188.370  1312.34  158.625 -172.4016 246.2625 
1 1 1  -12   18   18 o  1676.86  163.851   45.577   8.4933   45.577   8.4933   0.0000   0.0000  1676.86  163.851  ?   ?  0.000000 163.8514 
1 1 1  -12   18   20 f  678.301  158.100   7.6672   3.2959   4.2626   4.6629   11.066   4.6592  559.369  204.385  811.335  187.206 -251.9655 277.1633 
1 1 1  -12   18   22 o  2384.94  120.667   90.601   8.9819   88.600   12.702   92.602   12.703  2336.62  174.872  2390.99  170.795 -54.36426 244.4405 
1 1 1  -12   18   24 o  1315.68  169.604   28.356   6.8246   28.356   6.8246   0.0000   0.0000  1315.68  169.604  ?   ?  0.000000 169.6044 
1 1 1  -12   18   26 o  681.865  161.406   7.7892   3.3927   7.5240   4.7532   8.0647   4.8441  673.540  206.115  694.355  207.118 -20.81543 292.2013 
1 1 1  -12   18   28 o  1119.86  128.538   20.297   4.4256   25.329   6.6816   16.363   5.9071  1235.96  177.763  981.887  198.947 254.0740 266.7950 
1 1 1  -12   18   30 o  1713.72  115.773   47.054   6.1760   48.911   8.7039   45.171   8.7649  1728.56  162.725  1656.67  171.445 71.89160 236.3743 
1 1 1  -12   18   32 o  1898.56  117.465   57.848   6.9488   56.393   9.8744   59.276   9.7806  1848.67  172.578  1899.17  166.140 -50.50635 239.5532 
1 1 1  -12   18   38 o  2548.15  187.732  110.919   14.873   0.0000   0.0000  110.919   14.873  ?   ?   2548.15  187.732 0.000000 187.7319 
1 1 1  -12   18   44 f  1888.02  195.329   68.798   11.381   0.0000   0.0000   68.798   11.381  ?   ?   1888.02  195.329 0.000000 195.3291 
1 1 1  -12   18   48 o  556.830  228.992   7.6561   6.4204   0.0000   0.0000   7.6561   6.4204  ?   ?   556.830  228.992 0.000000 228.9921 
1 1 1  -12   18   50 o  1605.69  139.090   49.669   6.9241   48.685   9.3443   50.868   10.311  1419.88  217.069  1384.23  246.954 35.64441 328.7935 
1 1 1  -12   18   52 o  636.380  204.147   11.179   4.6087   11.554   5.8444   10.562   7.4947  586.517  225.725  521.888  231.227 64.62915 323.1376 
1 1 1  -12   19    1 o  728.914  158.587   8.7943   3.5167   7.4443   4.8790   10.254   5.0734  677.464  209.077  782.600  204.697 -105.1359 292.5984 
1 1 1  -12   19    3 o  1276.78  121.397   26.037   4.7949   28.953   6.6831   22.944   6.8834  1336.95  163.017  1179.71  193.020 157.2483 252.6483 
1 1 1  -12   19    5 o  553.855  203.741   4.0357   4.6447   0.0000   0.0000   4.0357   4.6447  ?   ?   553.855  203.741 0.000000 203.7411 
1 1 1  -12   19    7 o  841.556  207.323   11.900   5.4276   0.0000   0.0000   11.900   5.4276  ?   ?   841.556  207.323 0.000000 207.3230 
1 1 1  -12   19   11 o  239.094  115.441  -4.1066   2.6084  -4.7685   3.6269  -3.3975   3.7540  294.746  140.689  324.613  151.243 -29.86722 206.5620 
1 1 1  -12   19   13 o  606.297  210.576   5.4322   4.8893   5.4322   4.8893   0.0000   0.0000  606.297  210.576  ?   ?  0.000000 210.5760 
1 1 1  -12   19   15 o  796.701  210.974   10.657   5.3463   10.657   5.3463   0.0000   0.0000  796.701  210.974  ?   ?  0.000000 210.9739 
1 1 1  -12   19   19 o  1590.78  167.698   40.977   8.2274   40.977   8.2274   0.0000   0.0000  1590.78  167.698  ?   ?  0.000000 167.6982 
1 1 1  -12   19   21 o  1499.62  169.745   36.536   7.8303   36.536   7.8303   0.0000   0.0000  1499.62  169.745  ?   ?  0.000000 169.7449 
1 1 1  -12   19   23 o  1323.37  174.912   28.665   7.0704   28.665   7.0704   0.0000   0.0000  1323.37  174.912  ?   ?  0.000000 174.9116 
1 1 1  -12   19   25 o  513.445  176.612   3.9316   3.4353  -0.9318   4.6542   9.7525   5.0917  419.144  184.101  759.702  207.967 -340.5580 277.7477 
1 1 1  -12   19   27 o  1422.77  124.969   32.489   5.5110   32.670   8.0248   32.328   7.5815  1406.06  186.901  1402.47  176.554 3.584473 257.1058 
1 1 1  -12   19   29 o  688.907  243.988   7.2553   6.5847   7.2553   6.5847   0.0000   0.0000  688.907  243.988  ?   ?  0.000000 243.9877 
1 1 1  -12   19   31 o  1187.23  135.228   22.878   4.9374   17.702   7.1007   27.722   6.8701  1010.24  229.669  1294.52  173.884 -284.2782 288.0685 
1 1 1  -12   19   33 o  1515.23  123.338   36.991   5.8010   38.600   8.1049   35.302   8.3066  1528.09  172.402  1454.02  186.764 74.06763 254.1722 
1 1 1  -12   19   35 o  2587.85  126.120  107.835   10.220   99.509   14.370  116.354   14.537  2437.78  189.755  2648.55  176.292 -210.7742 259.0094 
1 1 1  -12   19   39 o  362.211  168.412  -3.1936   4.6163  -3.1936   4.6163   0.0000   0.0000  362.211  168.412  ?   ?  0.000000 168.4118 
1 1 1  -12   19   41 o  1626.10  128.646   44.449   6.4968   50.822   9.0757   37.750   9.3043  1693.54  173.599  1413.84  217.109 279.6970 277.9799 
1 1 1  -12   19   45 o  910.791  268.242   20.209   8.1662   0.0000   0.0000   20.209   8.1662  ?   ?   910.791  268.242 0.000000 268.2418 
1 1 1  -12   19   49 o  1079.91  272.973   32.714   9.2352   0.0000   0.0000   32.714   9.2352  ?   ?   1079.91  272.973 0.000000 272.9728 
1 1 1  -12   19   51 o  566.033  240.671   11.148   7.4557   0.0000   0.0000   11.148   7.4557  ?   ?   566.033  240.671 0.000000 240.6710 
1 1 1  -12   20    2 o  386.117  161.172   0.5017   3.2470  -2.3932   4.6725   3.2054   4.5156  393.831  177.898  524.999  199.279 -131.1676 267.1325 
1 1 1  -12   20    4 o  1161.07  130.510   21.590   4.6626   20.580   6.7006   22.538   6.4921  1117.23  198.825  1174.68  182.419 -57.44434 269.8296 
1 1 1  -12   20    6 o  975.972  201.856   15.827   5.9651   0.0000   0.0000   15.827   5.9651  ?   ?   975.972  201.856 0.000000 201.8559 
1 1 1  -12   20    8 o  1000.28  189.695   16.523   5.7241   16.523   5.7241   0.0000   0.0000  1000.28  189.695  ?   ?  0.000000 189.6951 
1 1 1  -12   20   10 o  625.188  171.527   6.4335   3.4592   2.4398   4.7155   11.087   5.0900  509.032  200.761  815.128  200.748 -306.0957 283.9099 
1 1 1  -12   20   12 o  1276.86  122.459   26.008   4.8361   27.852   6.7190   24.027   6.9661  1311.64  167.414  1210.91  189.975 100.7347 253.2155 
1 1 1  -12   20   14 o  1328.91  126.116   28.191   5.1850   23.836   7.2526   32.745   7.4156  1202.96  199.534  1422.79  169.805 -219.8311 262.0070 
1 1 1  -12   20   16 o  595.964  210.874   5.0709   4.9176   0.0000   0.0000   5.0709   4.9176  ?   ?   595.964  210.874 0.000000 210.8743 
1 1 1  -12   20   18 o  859.247  156.652   12.119   4.0595   16.971   5.8046   7.4738   5.6794  1012.23  190.117  689.616  227.018 322.6146 296.1106 
1 1 1  -12   20   20 o  1958.81  171.020   61.906   10.384   61.906   10.384   0.0000   0.0000  1958.81  171.020  ?   ?  0.000000 171.0197 
1 1 1  -12   20   22 o  644.322  219.345   6.3484   5.2964   6.3484   5.2964   0.0000   0.0000  644.322  219.345  ?   ?  0.000000 219.3452 
1 1 1  -12   20   24 o  1212.94  196.753   24.395   7.2167   24.395   7.2167   0.0000   0.0000  1212.94  196.753  ?   ?  0.000000 196.7533 
1 1 1  -12   20   26 o  2166.97  175.273   76.209   11.791   76.209   11.791   0.0000   0.0000  2166.97  175.273  ?   ?  0.000000 175.2725 
1 1 1  -12   20   28 o  937.671  247.714   15.190   7.3818   15.190   7.3818   0.0000   0.0000  937.671  247.714  ?   ?  0.000000 247.7136 
1 1 1  -12   20   30 o  2087.35  128.510   69.783   8.3586   72.284   12.056   67.467   11.599  2099.68  185.267  2028.35  184.651 71.32483 261.5720 
1 1 1  -12   20   32 o  1236.50  146.790   24.947   5.5724   22.957   8.4442   26.482   7.4164  1147.86  242.535  1256.19  194.861 -108.3228 311.1178 
1 1 1  -12   20   34 o  1242.71  133.617   25.154   5.1177   29.831   7.2692   20.557   7.2062  1335.69  178.254  1087.29  219.230 248.3953 282.5537 
1 1 1  -12   20   36 o  2305.33  180.612   89.577   12.933   89.577   12.933   0.0000   0.0000  2305.33  180.612  ?   ?  0.000000 180.6118 
1 1 1  -12   20   38 o  1852.66  183.305   59.366   10.494   59.366   10.494   0.0000   0.0000  1852.66  183.305  ?   ?  0.000000 183.3048 
1 1 1  -12   20   40 f  1367.40  139.789   31.657   5.9011   34.980   8.0683   27.835   8.6532  1396.57  189.389  1200.59  238.585 195.9760 304.6161 
1 1 1  -12   20   42 o  1041.56  170.344   19.569   5.3635   23.129   7.0147   14.559   8.3220  1096.50  211.977  808.599  274.952 287.9016 347.1779 
1 1 1  -12   20   44 f  692.505  236.805   10.352   6.1734   10.352   6.1734   0.0000   0.0000  692.505  236.805  ?   ?  0.000000 236.8051 
1 1 1  -12   20   46 o  443.866  185.414   2.5874   4.3017   0.7319   5.5863   5.2906   6.7426  436.492  196.083  543.097  229.797 -106.6056 302.0843 
1 1 1  -12   20   48 o  747.132  253.143   14.952   7.0540   14.952   7.0540   0.0000   0.0000  747.132  253.143  ?   ?  0.000000 253.1435 
1 1 1  -12   21    1 o  686.718  220.012   7.4356   5.3542   0.0000   0.0000   7.4356   5.3542  ?   ?   686.718  220.012 0.000000 220.0125 
1 1 1  -12   21    3 o  886.711  158.132   12.838   4.2295   11.909   6.1064   13.694   5.8639  845.774  226.183  906.847  210.551 -61.07343 309.0155 
1 1 1  -12   21    5 o  1127.66  137.617   20.404   4.7584   26.793   6.5405   13.219   6.9356  1288.34  165.990  889.958  242.347 398.3862 293.7426 
1 1 1  -12   21    7 o  243.169  118.881  -5.7088   3.0044  -7.5695   4.0430  -3.4140   4.4898  282.930  138.232  366.328  168.837 -83.39893 218.2065 
1 1 1  -12   21    9 o  354.448  153.832  -0.4584   3.1666  -2.5918   4.3296   1.9954   4.6434  372.533  169.453  494.446  197.856 -121.9129 260.5023 
1 1 1  -12   21   11 o  732.185  174.486   8.8780   3.9436   4.2703   5.6047   13.396   5.5498  591.924  222.629  897.239  202.363 -305.3145 300.8557 
1 1 1  -12   21   13 o  1004.45  206.065   16.760   6.2637   0.0000   0.0000   16.760   6.2637  ?   ?   1004.45  206.065 0.000000 206.0649 
1 1 1  -12   21   15 o  429.143  190.564  -1.6817   5.1184   0.0000   0.0000  -1.6817   5.1184  ?   ?   429.143  190.564 0.000000 190.5641 
1 1 1  -12   21   17 o  512.266  185.833   3.5088   3.8449   0.0000   5.3133   7.3657   5.5707  472.334  202.056  685.613  224.794 -213.2792 302.2563 
1 1 1  -12   21   21 o  1070.95  231.743   19.343   7.5456   0.0000   0.0000   19.343   7.5456  ?   ?   1070.95  231.743 0.000000 231.7430 
1 1 1  -12   21   23 o  476.554  201.090   0.5739   5.1406   0.5739   5.1406   0.0000   0.0000  476.554  201.090  ?   ?  0.000000 201.0898 
1 1 1  -12   21   25 o  1818.54  126.502   52.730   7.1585   52.138   10.077   53.334   10.171  1791.07  182.216  1811.89  181.724 -20.81726 257.3452 
1 1 1  -12   21   27 o  846.551  227.934   12.166   6.1763   12.166   6.1763   0.0000   0.0000  846.551  227.934  ?   ?  0.000000 227.9335 
1 1 1  -12   21   29 o  2570.93  187.632  107.833   15.000  107.833   15.000   0.0000   0.0000  2570.93  187.632  ?   ?  0.000000 187.6322 
1 1 1  -12   21   31 o  636.104  250.775   4.5499   7.3547   4.5499   7.3547   0.0000   0.0000  636.104  250.775  ?   ?  0.000000 250.7754 
1 1 1  -12   21   33 o  528.357  229.511   0.0001   7.0612   0.0001   7.0612   0.0000   0.0000  528.357  229.511  ?   ?  0.000000 229.5114 
1 1 1  -12   21   35 o  656.766  245.859   6.5346   6.8197   6.5346   6.8197   0.0000   0.0000  656.766  245.859  ?   ?  0.000000 245.8587 
1 1 1  -12   21   37 o  1865.92  132.247   57.309   7.6767   65.441   10.605   48.356   11.127  1960.00  174.626  1643.37  221.905 316.6252 282.3756 
1 1 1  -12   21   39 o  2159.87  130.922   77.457   8.8126   76.573   12.327   78.381   12.603  2082.17  191.209  2103.94  193.473 -21.77734 272.0161 
1 1 1  -12   21   43 o  527.409  220.864   3.6163   6.1255   3.6163   6.1255   0.0000   0.0000  527.409  220.864  ?   ?  0.000000 220.8636 
1 1 1  -12   21   45 o  500.600  195.189   4.2281   4.4143   10.044   6.0455  -2.4140   6.4606  678.959  234.247  421.709  197.127 257.2503 306.1548 
1 1 1  -12   21   47 o  390.421  183.609  -2.3657   5.7513  -2.3657   5.7513   0.0000   0.0000  390.421  183.609  ?   ?  0.000000 183.6085 
1 1 1  -12   22    4 o  662.643  188.882   7.1726   4.1098   12.061   6.0711   3.0375   5.5837  851.716  224.477  558.412  219.027 293.3040 313.6288 
1 1 1  -12   22    6 o  785.836  181.561   10.213   4.3777   11.264   6.3178   9.2432   6.0717  825.637  233.786  757.105  233.167 68.53162 330.1855 
1 1 1  -12   22    8 o  1106.73  145.017   19.704   4.9046   20.873   7.0975   18.636   6.7852  1125.03  209.176  1061.08  211.640 63.95374 297.5669 
1 1 1  -12   22   10 o  649.642  192.208   6.8430   4.1844   4.8862   5.9649   8.7390   5.8715  620.521  230.396  737.774  229.635 -117.2532 325.2918 
1 1 1  -12   22   12 o  1049.29  146.233   17.763   4.6740   12.384   6.5627   23.300   6.6585  862.325  236.123  1195.87  183.693 -333.5432 299.1609 
1 1 1  -12   22   14 o  1350.21  197.533   29.746   8.1044   0.0000   0.0000   29.746   8.1044  ?   ?   1350.21  197.533 0.000000 197.5335 
1 1 1  -12   22   16 o  438.172  177.177   1.3619   3.7660   2.4952   5.3588   0.2560   5.2937  534.975  213.056  477.863  202.980 57.11215 294.2684 
1 1 1  -12   22   18 o  1431.77  205.718   33.554   8.9579   0.0000   0.0000   33.554   8.9579  ?   ?   1431.77  205.718 0.000000 205.7180 
1 1 1  -12   22   20 o  1119.74  238.239   21.070   8.0964   0.0000   0.0000   21.070   8.0964  ?   ?   1119.74  238.239 0.000000 238.2387 
1 1 1  -12   22   22 o  961.386  232.521   15.586   6.9232   15.586   6.9232   0.0000   0.0000  961.386  232.521  ?   ?  0.000000 232.5215 
1 1 1  -12   22   24 o  2269.37  189.402   83.332   13.336   0.0000   0.0000   83.332   13.336  ?   ?   2269.37  189.402 0.000000 189.4024 
1 1 1  -12   22   26 o  1426.20  143.510   32.708   6.3218   39.206   8.5517   24.877   9.3875  1552.07  179.260  1207.14  256.281 344.9320 312.7525 
1 1 1  -12   22   28 o  4332.45  244.158  312.007   32.987  312.007   32.987   0.0000   0.0000  4332.45  244.158  ?   ?  0.000000 244.1577 
1 1 1  -12   22   30 o  986.844  177.275   16.260   5.2765   15.969   7.0645   16.627   7.9355  959.591  236.609  974.160  256.587 -14.56860 349.0279 
1 1 1  -12   22   32 o  1622.81  219.203   44.917   10.854   44.917   10.854   0.0000   0.0000  1622.81  219.203  ?   ?  0.000000 219.2028 
1 1 1  -12   22   34 o  782.008  275.217   10.556   8.3655   10.556   8.3655   0.0000   0.0000  782.008  275.217  ?   ?  0.000000 275.2171 
1 1 1  -12   22   36 o  1040.47  279.236   20.907   9.2874   20.907   9.2874   0.0000   0.0000  1040.47  279.236  ?   ?  0.000000 279.2361 
1 1 1  -12   22   38 o  1598.21  204.559   45.407   10.002   45.407   10.002   0.0000   0.0000  1598.21  204.559  ?   ?  0.000000 204.5585 
1 1 1  -12   22   40 o  699.205  248.092   9.2366   6.8111   9.2366   6.8111   0.0000   0.0000  699.205  248.092  ?   ?  0.000000 248.0917 
1 1 1  -12   22   42 o  617.664  241.798   6.6612   6.7949   6.6612   6.7949   0.0000   0.0000  617.664  241.798  ?   ?  0.000000 241.7984 
1 1 1  -12   22   44 o  766.886  221.640   12.036   5.6223   15.109   7.1459   7.0430   9.1089  830.835  252.407  628.981  266.667 201.8539 367.1796 
1 1 1  -12   22   46 o  941.174  258.465   20.598   7.8500   20.598   7.8500   0.0000   0.0000  941.174  258.465  ?   ?  0.000000 258.4645 
1 1 1  -12   23    1 o  845.714  246.741   11.740   6.9385   0.0000   0.0000   11.740   6.9385  ?   ?   845.714  246.741 0.000000 246.7412 
1 1 1  -12   23    3 o  1113.35  211.480   20.418   7.1030   0.0000   0.0000   20.418   7.1030  ?   ?   1113.35  211.480 0.000000 211.4800 
1 1 1  -12   23    5 o  693.221  246.845   6.7369   6.7486   6.7369   6.7486   0.0000   0.0000  693.221  246.845  ?   ?  0.000000 246.8453 
1 1 1  -12   23    7 o  448.956  201.937  -2.7811   5.9464  -2.7811   5.9464   0.0000   0.0000  448.956  201.937  ?   ?  0.000000 201.9372 
1 1 1  -12   23    9 o  441.332  183.867   0.7031   4.2143   6.8035   6.0695  -4.9759   5.8561  680.312  234.712  410.301  190.404 270.0108 302.2303 
1 1 1  -12   23   11 o  976.795  222.619   15.880   6.6574   0.0000   0.0000   15.880   6.6574  ?   ?   976.795  222.619 0.000000 222.6191 
1 1 1  -12   23   15 o  1095.76  154.376   19.389   5.1500   20.473   7.1159   18.197   7.4628  1113.30  211.867  1043.78  234.108 69.52307 315.7442 
1 1 1  -12   23   17 o  926.894  176.490   14.111   4.9352   15.434   6.8946   12.721   7.0676  960.458  231.884  874.869  247.111 85.58954 338.8714 
1 1 1  -12   23   19 o  1301.41  141.365   27.124   5.6680   26.496   8.3205   27.667   7.7422  1267.38  217.498  1301.59  196.046 -34.20850 292.8127 
1 1 1  -12   23   21 o  2188.93  132.583   76.104   9.0444   79.844   12.840   72.422   12.742  2227.22  185.809  2117.73  194.324 109.4902 268.8615 
1 1 1  -12   23   23 o  1589.12  195.378   41.142   9.5170   41.142   9.5170   0.0000   0.0000  1589.12  195.378  ?   ?  0.000000 195.3776 
1 1 1  -12   23   25 o  1306.56  154.930   27.601   6.2149   27.627   8.0464   27.563   9.7850  1292.17  205.769  1274.28  254.145 17.88647 327.0029 
1 1 1  -12   23   27 o  2760.86  196.887  124.419   16.909  124.419   16.909   0.0000   0.0000  2760.86  196.887  ?   ?  0.000000 196.8866 
1 1 1  -12   23   29 o  687.561  223.753   7.7119   5.5231   4.0674   7.2900   12.623   8.4620  624.257  248.535  859.864  276.706 -235.6067 371.9352 
1 1 1  -12   23   31 o  1851.23  136.917   55.443   7.8803   58.308   10.791   52.170   11.535  1873.64  186.411  1755.51  214.289 118.1293 284.0229 
1 1 1  -12   23   33 o  436.929  196.946  -2.0928   5.6913  -2.6852   7.8981  -1.4531   8.2083  510.470  230.873  538.749  240.152 -28.27988 333.1298 
1 1 1  -12   23   35 o  681.064  270.491   6.3242   8.6155   0.0000   0.0000   6.3242   8.6155  ?   ?   681.064  270.491 0.000000 270.4907 
1 1 1  -12   23   37 o  903.330  237.299   15.192   6.7990   27.240   9.4465   2.2419   9.7933  1201.35  258.765  621.637  270.161 579.7136 374.0937 
1 1 1  -12   23   39 o  478.582  216.581  -1.5874   6.9626  -1.5874   6.9626   0.0000   0.0000  478.582  216.581  ?   ?  0.000000 216.5813 
1 1 1  -12   23   41 o  354.979  173.228  -9.4292   6.2958  -9.4292   6.2958   0.0000   0.0000  354.979  173.228  ?   ?  0.000000 173.2283 
1 1 1  -12   23   43 o  722.570  264.430   10.909   7.8095   10.909   7.8095   0.0000   0.0000  722.570  264.430  ?   ?  0.000000 264.4295 
1 1 1  -12   23   45 o  887.553  269.849   18.236   8.1653   18.236   8.1653   0.0000   0.0000  887.553  269.849  ?   ?  0.000000 269.8489 
1 1 1  -12   24    2 o  527.202  205.686   2.7354   4.9041   12.050   8.0549  -2.7511   6.1820  865.564  268.892  460.594  206.636 404.9695 339.1179 
1 1 1  -12   24    4 o  714.912  243.351   7.6139   6.5191   0.0000   0.0000   7.6139   6.5191  ?   ?   714.912  243.351 0.000000 243.3513 
1 1 1  -12   24    8 o  557.289  229.259   1.6828   6.4381   0.0000   0.0000   1.6828   6.4381  ?   ?   557.289  229.259 0.000000 229.2593 
1 1 1  -12   24   10 o  583.991  227.205   3.4714   5.9711   0.0000   0.0000   3.4714   5.9711  ?   ?   583.991  227.205 0.000000 227.2053 
1 1 1  -12   24   12 o  750.250  248.868   8.6548   6.8204   0.0000   0.0000   8.6548   6.8204  ?   ?   750.250  248.868 0.000000 248.8676 
1 1 1  -12   24   14 o  1321.44  150.174   27.966   6.1034   29.583   8.7851   26.457   8.4858  1344.49  215.988  1268.43  221.727 76.06311 309.5378 
1 1 1  -12   24   16 o  985.070  183.034   15.915   5.4379   19.071   7.7825   12.904   7.6013  1068.81  238.584  884.276  258.334 184.5341 351.6513 
1 1 1  -12   24   18 o  710.624  196.013   8.3180   4.5032  -0.6745   7.1342   14.274   5.8060  534.349  231.403  926.992  205.426 -392.6429 309.4305 
1 1 1  -12   24   20 o  518.209  193.080   3.3257   4.1963   15.821   7.0201  -3.6213   5.2344  970.830  233.736  400.533  183.747 570.2968 297.3139 
1 1 1  -12   24   22 o  596.635  208.103   5.1846   4.7776  -4.9026   7.8638   11.086   6.0149  494.243  226.177  814.814  227.203 -320.5706 320.5888 
1 1 1  -12   24   24 f  1099.14  167.936   19.762   5.5964   28.386   7.6892   10.047   8.1607  1314.07  192.589  799.398  272.272 514.6760 333.5001 
1 1 1  -12   24   26 o  1410.87  152.316   32.219   6.6222   29.693   8.7166   35.667   10.184  1332.03  216.414  1456.48  231.021 -124.4458 316.5529 
1 1 1  -12   24   28 o  719.268  228.258   8.5700   5.7736   10.131   7.8482   6.7285   8.5236  787.708  267.014  714.035  273.128 73.67310 381.9626 
1 1 1  -12   24   30 o  664.642  232.597   6.8986   5.9708   0.8726   7.9696   14.609   9.0146  576.397  247.039  908.611  284.820 -332.2134 377.0288 
1 1 1  -12   24   32 o  1627.26  151.568   43.381   7.6341   48.381   10.192   36.989   11.523  1695.26  195.582  1438.35  265.638 256.9087 329.8722 
1 1 1  -12   24   34 o  1218.27  270.296   27.346   10.041   27.346   10.041   0.0000   0.0000  1218.27  270.296  ?   ?  0.000000 270.2957 
1 1 1  -12   24   36 o  771.785  254.897   10.761   7.1578   7.1684   10.569   13.805   9.7285  726.131  295.647  856.922  297.068 -130.7908 419.1138 
1 1 1  -12   24   38 o  875.787  249.085   14.544   7.1553   19.647   10.231   9.6588   10.011  982.391  302.695  753.053  293.853 229.3386 421.8689 
1 1 1  -12   24   40 o  705.323  254.202   9.1363   7.1773   11.855   9.8626   6.0754   10.465  780.990  294.977  678.457  286.632 102.5334 411.3021 
1 1 1  -12   24   42 o  636.829  256.631   6.5879   7.8720   6.5879   7.8720   0.0000   0.0000  636.829  256.631  ?   ?  0.000000 256.6308 
1 1 1  -12   25    1 o  530.352  249.330 -10.8617   10.590 -10.8617   10.590   0.0000   0.0000  530.352  249.330  ?   ?  0.000000 249.3297 
1 1 1  -12   25    3 o  564.016  233.051   1.5474   6.6911   0.0000   0.0000   1.5474   6.6911  ?   ?   564.016  233.051 0.000000 233.0511 
1 1 1  -12   25    7 f  515.299  224.069  -0.9939   6.7440   0.0000   0.0000  -0.9939   6.7440  ?   ?   515.299  224.069 0.000000 224.0689 
1 1 1  -12   25    9 o  771.984  276.271   8.3187   8.4635   8.3187   8.4635   0.0000   0.0000  771.984  276.271  ?   ?  0.000000 276.2706 
1 1 1  -12   25   11 o  866.066  261.928   12.199   7.7078   0.0000   0.0000   12.199   7.7078  ?   ?   866.066  261.928 0.000000 261.9282 
1 1 1  -12   25   13 o  970.129  254.115   15.709   7.8113   0.0000   0.0000   15.709   7.8113  ?   ?   970.129  254.115 0.000000 254.1149 
1 1 1  -12   25   15 o  556.695  232.834   1.1001   6.7953   0.0000   0.0000   1.1001   6.7953  ?   ?   556.695  232.834 0.000000 232.8339 
1 1 1  -12   25   17 o  1282.32  194.770   26.830   7.5746   0.0000   0.0000   26.830   7.5746  ?   ?   1282.32  194.770 0.000000 194.7704 
1 1 1  -12   25   19 o  658.484  229.304   6.3578   5.7995   0.0000   0.0000   6.3578   5.7995  ?   ?   658.484  229.304 0.000000 229.3036 
1 1 1  -12   25   21 o  1432.82  190.344   33.500   8.3285   0.0000   0.0000   33.500   8.3285  ?   ?   1432.82  190.344 0.000000 190.3441 
1 1 1  -12   25   23 f  958.646  183.324   15.247   5.3024   8.4405   8.4340   19.695   6.8184  762.243  275.429  1085.65  208.148 -323.4093 345.2347 
1 1 1  -12   25   25 o  1215.77  209.598   24.722   7.6910   0.0000   0.0000   24.722   7.6910  ?   ?   1215.77  209.598 0.000000 209.5976 
1 1 1  -12   25   27 o  993.166  252.028   17.155   7.8506   0.0000   0.0000   17.155   7.8506  ?   ?   993.166  252.028 0.000000 252.0281 
1 1 1  -12   25   29 o  517.180  227.156  -0.9196   7.0852   0.0000   0.0000  -0.9196   7.0852  ?   ?   517.180  227.156 0.000000 227.1560 
1 1 1  -12   25   31 o  846.441  236.146   12.555   6.4960   20.782   8.9813   3.5293   9.4068  1075.57  267.727  661.429  275.060 414.1428 383.8431 
1 1 1  -12   25   33 o  701.562  238.460   8.1862   6.2596   9.7362   8.0719   5.8479   9.9142  764.322  270.198  708.176  287.081 56.14545 394.2361 
1 1 1  -12   25   35 o  468.432  206.839  -0.7880   5.9476  -0.3264   7.5442  -1.5461   9.6676  532.150  234.049  577.109  258.691 -44.95850 348.8552 
1 1 1  -12   25   37 o  893.130  262.888   15.021   7.8455   13.422   11.080   16.629   11.110  850.312  314.351  919.879  317.546 -69.56665 446.8244 
1 1 1  -12   25   39 o  565.853  259.094  -2.5952   10.339  -2.5952   10.339   0.0000   0.0000  565.853  259.094  ?   ?  0.000000 259.0941 
1 1 1  -12   25   41 o  891.794  318.520   17.364   11.245   17.364   11.245   0.0000   0.0000  891.794  318.520  ?   ?  0.000000 318.5202 
1 1 1  -12   26    2 o  580.747  260.634  -4.1719   9.8446  -4.1719   9.8446   0.0000   0.0000  580.747  260.634  ?   ?  0.000000 260.6341 
1 1 1  -12   26    4 o  540.239  246.663  -5.7743   9.2838  -5.7743   9.2838   0.0000   0.0000  540.239  246.663  ?   ?  0.000000 246.6630 
1 1 1  -12   26    6 o  762.973  234.194   9.3469   6.1311   8.8664   9.5054   9.6892   8.0232  805.178  292.176  799.229  269.979 5.948425 397.8132 
1 1 1  -12   26    8 o  683.417  252.605   5.9984   7.1542   0.0000   0.0000   5.9984   7.1542  ?   ?   683.417  252.605 0.000000 252.6048 
1 1 1  -12   26   10 o  752.419  223.512   9.1967   5.6499   13.415   8.9776   6.4300   7.2702  910.177  284.058  696.990  255.126 213.1867 381.8092 
1 1 1  -12   26   12 o  691.910  272.006   4.7712   8.6299   4.7712   8.6299   0.0000   0.0000  691.910  272.006  ?   ?  0.000000 272.0063 
1 1 1  -12   26   14 o  1088.58  192.839   19.443   6.3325   18.422   9.4122   20.288   8.5594  1045.30  281.349  1099.12  253.829 -53.82300 378.9284 
1 1 1  -12   26   18 o  402.590  184.735  -3.6555   5.2952   0.0000   0.0000  -3.6555   5.2952  ?   ?   402.590  184.735 0.000000 184.7352 
1 1 1  -12   26   20 o  544.914  225.100   1.6519   6.2399   0.0000   0.0000   1.6519   6.2399  ?   ?   544.914  225.100 0.000000 225.0995 
1 1 1  -12   26   22 o  662.865  238.367   6.2524   6.3076   0.0000   0.0000   6.2524   6.3076  ?   ?   662.865  238.367 0.000000 238.3666 
1 1 1  -12   26   24 o  693.096  247.184   7.0572   6.7696   0.0000   0.0000   7.0572   6.7696  ?   ?   693.096  247.184 0.000000 247.1838 
1 1 1  -12   26   26 o  961.439  239.309   15.902   7.1760   0.0000   0.0000   15.902   7.1760  ?   ?   961.439  239.309 0.000000 239.3088 
1 1 1  -12   26   28 o  748.127  215.906   9.4829   5.3386   6.2691   8.0841   11.968   7.1093  694.411  265.904  835.640  251.291 -141.2294 365.8578 
1 1 1  -12   26   32 o  800.483  226.742   11.158   5.9417   4.3675   9.5330   15.472   7.5982  678.638  279.052  932.123  253.586 -253.4855 377.0624 
1 1 1  -12   26   34 o  704.882  234.551   8.3764   6.0566   2.5777   8.7588   13.690   8.3841  621.890  262.455  871.123  274.915 -249.2336 380.0800 
1 1 1  -12   26   36 o  465.881  207.716  -1.3300   6.1443 -14.2600   8.4842   12.931   8.9101  406.273  198.863  842.329  284.510 -436.0561 347.1201 
1 1 1  -12   26   38 f  452.866  211.586  -5.2107   7.4284   2.5328   11.260 -11.1773   9.8843  661.487  288.553  472.790  227.402 188.6969 367.3889 
1 1 1  -12   27    1 o  494.324  215.798  -1.1192   6.3086  -9.6230   10.231   4.0982   8.0135  529.063  247.548  660.850  261.373 -131.7870 359.9948 
1 1 1  -12   27    3 o  872.057  305.640   11.227   10.311   11.227   10.311   0.0000   0.0000  872.057  305.640  ?   ?  0.000000 305.6402 
1 1 1  -12   27    5 o  1450.36  263.076   34.927   11.507   34.927   11.507   0.0000   0.0000  1450.36  263.076  ?   ?  0.000000 263.0755 
1 1 1  -12   27   11 o  754.935  237.480   9.1124   6.2609   11.987   9.4439   6.8582   8.3628  875.940  292.924  731.430  272.561 144.5103 400.1171 
1 1 1  -12   27   13 o  424.761  193.362  -3.3808   5.6517  -9.4784   8.5865   1.2805   7.5073  469.388  221.835  584.567  244.629 -115.1791 330.2337 
1 1 1  -12   27   15 o  649.889  231.103   5.9734   5.9134   10.328   8.9011   2.5329   7.9116  824.265  284.246  622.117  254.827 202.1478 381.7492 
1 1 1  -12   27   17 o  1015.54  287.417   17.482   9.5513   17.482   9.5513   0.0000   0.0000  1015.54  287.417  ?   ?  0.000000 287.4174 
1 1 1  -12   27   19 o  929.118  221.197   14.509   6.3427   19.576   9.5213   10.466   8.5044  1069.79  280.715  818.731  277.950 251.0575 395.0402 
1 1 1  -12   27   21 o  802.532  224.455   10.782   5.8610   12.900   10.074   9.6989   7.2063  896.213  302.519  778.831  255.689 117.3826 396.0990 
1 1 1  -12   27   23 o  854.893  254.617   12.293   7.3248   0.0000   0.0000   12.293   7.3248  ?   ?   854.893  254.617 0.000000 254.6174 
1 1 1  -12   27   25 o  621.503  243.473   4.2048   6.8930   0.0000   0.0000   4.2048   6.8930  ?   ?   621.503  243.473 0.000000 243.4727 
1 1 1  -12   27   27 o  658.804  249.863   5.6023   7.0952   0.0000   0.0000   5.6023   7.0952  ?   ?   658.804  249.863 0.000000 249.8629 
1 1 1  -12   27   29 o  388.115  184.152  -6.8324   6.0297   0.0000   0.0000  -6.8324   6.0297  ?   ?   388.115  184.152 0.000000 184.1525 
1 1 1  -12   27   31 o  549.165  234.965   0.7027   7.1874   0.0000   0.0000   0.7027   7.1874  ?   ?   549.165  234.965 0.000000 234.9652 
1 1 1  -12   27   33 o  563.834  224.131   3.3912   5.9201   11.390   10.034  -0.8804   7.3324  830.502  300.369  522.948  230.349 307.5536 378.5264 
1 1 1  -12   27   35 o  789.337  238.858   10.993   6.4085  -1.1114   10.478   18.226   8.1000  609.803  271.616  1002.05  256.936 -392.2465 373.8869 
1 1 1  -12   28    2 o  969.684  323.351   14.837   11.508   14.837   11.508   0.0000   0.0000  969.684  323.351  ?   ?  0.000000 323.3509 
1 1 1  -12   28    4 o  769.809  248.866   9.3245   6.8390   20.227   10.755   1.9235   8.8613  1095.78  303.195  642.456  267.050 453.3211 404.0335 
1 1 1  -12   28    6 o  704.010  278.077   4.7937   9.0594   0.0000   0.0000   4.7937   9.0594  ?   ?   704.010  278.077 0.000000 278.0765 
1 1 1  -12   28    8 o  1221.67  251.847   24.910   9.3138   0.0000   0.0000   24.910   9.3138  ?   ?   1221.67  251.847 0.000000 251.8474 
1 1 1  -12   28   12 o  815.447  297.474   9.1873   9.8721   9.1873   9.8721   0.0000   0.0000  815.447  297.474  ?   ?  0.000000 297.4745 
1 1 1  -12   28   14 o  693.503  282.667   3.5233   9.6746   3.5233   9.6746   0.0000   0.0000  693.503  282.667  ?   ?  0.000000 282.6673 
1 1 1  -12   28   16 f  382.035  180.992  -6.7384   5.7816  -1.8564   8.2664 -11.4135   8.0894  555.179  244.561  430.008  206.547 125.1711 320.1121 
1 1 1  -12   28   18 o  646.683  239.465   5.4549   6.4351   7.8505   9.5340   3.4503   8.7214  775.248  290.602  663.217  269.116 112.0313 396.0719 
1 1 1  -12   28   20 o  622.115  243.936   4.0079   6.9241  -7.4144   10.584   12.554   9.1550  560.211  258.556  880.325  288.154 -320.1140 387.1483 
1 1 1  -12   28   22 o  766.834  307.617   5.7549   11.255   5.7549   11.255   0.0000   0.0000  766.834  307.617  ?   ?  0.000000 307.6169 
1 1 1  -12   28   24 o  438.932  208.676  -9.2068   7.8168   0.0000   0.0000  -9.2068   7.8168  ?   ?   438.932  208.676 0.000000 208.6759 
1 1 1  -12   28   26 o  383.192  183.934  -8.8085   6.3910   0.0000   0.0000  -8.8085   6.3910  ?   ?   383.192  183.934 0.000000 183.9342 
1 1 1  -12   28   28 o  465.067  202.730  -0.6483   5.5497   6.7157   9.6323  -4.3075   6.7899  740.449  288.435  455.469  209.070 284.9792 356.2369 
1 1 1  -12   28   30 o  1011.83  264.566   17.992   8.4769   0.0000   0.0000   17.992   8.4769  ?   ?   1011.83  264.566 0.000000 264.5664 
1 1 1  -12   28   32 o  706.005  264.036   7.1376   7.8617   0.0000   0.0000   7.1376   7.8617  ?   ?   706.005  264.036 0.000000 264.0361 
1 1 1  -12   29    1 o  619.031  246.358   3.3721   7.1603  -1.2372   9.0645   11.021   11.677  595.442  259.342  889.615  323.678 -294.1732 414.7592 
1 1 1  -12   29    3 o  1204.32  205.788   23.756   7.4816   31.500   9.6123   11.855   11.916  1384.78  229.733  910.819  327.618 473.9566 400.1383 
1 1 1  -12   29    5 o  559.609  238.302   0.2361   7.3300   4.1553   11.391  -2.5339   9.5761  753.214  306.827  593.265  262.183 159.9482 403.5870 
1 1 1  -12   29    7 o  888.895  238.221   13.136   6.7651   8.6673   9.0427   18.817   10.195  789.748  285.222  1058.82  295.996 -269.0700 411.0531 
1 1 1  -12   29    9 o  738.780  264.476   7.6563   7.7569   2.3379   13.468   10.296   9.4887  776.096  326.380  836.121  293.184 -60.02527 438.7266 
1 1 1  -12   29   11 o  797.568  292.658   8.6003   9.5750   0.0000   0.0000   8.6003   9.5750  ?   ?   797.568  292.658 0.000000 292.6584 
1 1 1  -12   29   13 o  507.179  222.814  -1.5186   6.8204   12.395   10.163 -12.9183   9.1995  894.613  303.853  459.165  220.475 435.4478 375.4145 
1 1 1  -12   29   15 o  728.540  292.736   4.6301   10.211   4.6301   10.211   0.0000   0.0000  728.540  292.736  ?   ?  0.000000 292.7362 
1 1 1  -12   29   17 o  744.570  294.649   5.5629   10.189   5.5629   10.189   0.0000   0.0000  744.570  294.649  ?   ?  0.000000 294.6491 
1 1 1  -12   29   19 f  805.423  310.039   7.8144   11.028   7.8144   11.028   0.0000   0.0000  805.423  310.039  ?   ?  0.000000 310.0386 
1 1 1  -12   29   21 o  965.890  324.896   15.086   11.619   15.086   11.619   0.0000   0.0000  965.890  324.896  ?   ?  0.000000 324.8958 
1 1 1  -12   29   23 o  1012.92  252.151   17.465   7.9662   10.623   11.962   22.918   10.679  872.839  325.836  1151.23  294.923 -278.3887 439.4867 
1 1 1  -12   29   25 o  664.922  279.524   2.0194   9.8727   0.0000   0.0000   2.0194   9.8727  ?   ?   664.922  279.524 0.000000 279.5236 
1 1 1  -12   29   29 o  436.698  203.807  -5.9071   6.8623   9.5535   10.489 -17.4758   9.0735  815.061  304.953  412.428  202.646 402.6337 366.1442 
1 1 1  -12   30    2 o  912.181  259.069   13.758   7.7461   12.864   10.160   14.999   11.970  909.523  303.832  980.485  329.772 -70.96265 448.4010 
1 1 1  -12   30    4 o  688.640  256.322   5.9737   7.3918   8.9488   9.7998   2.0470   11.259  812.158  296.368  715.661  299.540 96.49713 421.3764 
1 1 1  -12   30    6 o  432.796  206.814 -10.4616   7.8832 -16.3847   12.429  -6.4750   10.197  541.133  258.885  563.251  257.681 -22.11737 365.2685 
1 1 1  -12   30    8 o  644.912  264.851   2.4947   8.5739   30.079   13.484 -16.2275   11.109  1329.56  326.318  499.331  240.389 830.2317 405.3026 
1 1 1  -12   30   10 o  1149.14  262.608   22.134   9.2428   8.5234   15.758   29.273   11.412  919.925  365.670  1319.49  284.581 -399.5607 463.3584 
1 1 1  -12   30   12 o  1079.40  260.940   19.558   8.7220   9.1637   15.330   24.533   10.606  920.729  362.346  1205.51  285.396 -284.7797 461.2433 
1 1 1  -12   30   14 o  528.134  236.095  -3.0677   7.9944   20.950   14.052 -14.5626   9.7210  1123.11  356.060  464.114  223.784 658.9984 420.5448 
1 1 1  -12   30   16 o  770.531  248.243   9.4075   6.8092   10.889   9.2223   7.6325   10.096  844.678  289.432  786.059  298.074 58.61902 415.4740 
1 1 1  -12   30   18 o  669.267  287.188   0.1907   10.794   0.1907   10.794   0.0000   0.0000  669.267  287.188  ?   ?  0.000000 287.1883 
1 1 1  -12   30   20 o  809.407  322.226   6.5892   12.253   6.5892   12.253   0.0000   0.0000  809.407  322.226  ?   ?  0.000000 322.2261 
1 1 1  -12   30   22 o  798.378  320.677   6.0916   12.248   6.0916   12.248   0.0000   0.0000  798.378  320.677  ?   ?  0.000000 320.6767 
1 1 1  -12   30   24 o  674.432  280.349   2.6035   9.7662   2.6035   9.7662   0.0000   0.0000  674.432  280.349  ?   ?  0.000000 280.3490 
1 1 1  -12   31    1 o  801.921  288.527   8.9298   9.2428   21.291   13.393  -2.3119   12.772  1133.53  345.812  696.840  305.551 436.6873 461.4623 
1 1 1  -12   31    3 o  526.535  235.139  -3.0586   7.9079   1.9373   9.9616 -11.5721   13.004  677.767  282.555  601.608  280.699 76.15930 398.2823 
1 1 1  -12   31    5 o  566.593  255.062  -4.3693   9.5098   1.1891   14.523  -8.5420   12.583  789.600  335.815  618.577  284.186 171.0229 439.9247 
1 1 1  -12   31    7 o  632.130  285.799  -5.9152   12.091   0.0000   0.0000  -5.9152   12.091  ?   ?   632.130  285.799 0.000000 285.7994 
1 1 1  -12   31    9 o  697.781  284.284   3.3852   9.7800 -14.9304   15.826   14.700   12.439  653.540  306.460  979.898  336.133 -326.3571 454.8655 
1 1 1  -12   31   11 o  425.313  196.837  -5.0439   6.1969   2.1430   9.0955 -11.2701   8.4658  654.476  271.177  447.809  214.080 206.6666 345.4958 
1 1 1  -12   31   13 o  505.636  228.319  -3.8317   7.6883 -10.4513   14.523  -1.2541   9.0625  655.366  302.612  595.112  259.252 60.25403 398.4786 
1 1 1  -12   31   15 o  863.743  263.492   12.162   7.7756   10.380   11.822   13.522   10.323  877.808  324.663  925.205  306.134 -47.39642 446.2333 
1 1 1  -12   31   17 o  538.832  236.660  -1.6461   7.6900  -6.2425   11.410   2.1800   10.410  604.301  274.955  691.566  288.619 -87.26447 398.6240 
1 1 1  -11    0    1 o  1254.49   95.823   25.112   3.7135   25.112   3.7135   25.112   3.7135  1254.49   95.823  1254.49   95.823 -0.000000 0.000000 
1 1 1  -11    0    3 o  1718.60  102.334   46.823   5.4623   46.823   5.4623   46.823   5.4623  1718.60  102.334  1718.60  102.334 -0.000000 0.000000 
1 1 1  -11    0    5 o  1142.17   96.844   20.897   3.4062   20.897   3.4062   20.897   3.4062  1142.17   96.844  1142.17   96.844 -0.000000 0.000000 
1 1 1  -11    0    7 o  799.586   99.305   10.482   2.3830   10.482   2.3830   10.482   2.3830  799.586   99.305  799.586   99.305 -0.000000 0.000000 
1 1 1  -11    0    9 o  563.137  114.818   5.5519   1.7909   5.5519   1.7909   5.5519   1.7909  563.137  114.818  563.137  114.818 -0.000000 0.000000 
1 1 1  -11    0   11 o  2055.70  107.890   66.891   6.9011   66.891   6.9011   66.891   6.9011  2055.70  107.890  2055.70  107.890 -0.000000 0.000000 
1 1 1  -11    0   13 o  690.080  102.299   7.9502   2.0677   7.9502   2.0677   7.9502   2.0677  690.080  102.299  690.080  102.299 -0.000000 0.000000 
1 1 1  -11    0   15 o  1317.10   98.214   27.688   3.9987   27.688   3.9987   27.688   3.9987  1317.10   98.214  1317.10   98.214 -0.000000 0.000000 
1 1 1  -11    0   17 o  901.034   99.626   13.208   2.7230   13.208   2.7230   13.208   2.7230  901.034   99.626  901.034   99.626 -0.000000 0.000000 
1 1 1  -11    0   19 o  4759.84  250.021  364.958   37.029  364.958   37.029  364.958   37.029  4759.84  250.021  4759.84  250.021 -0.000000 0.000000 
1 1 1  -11    0   21 o  3710.76  209.369  221.038   24.150  221.038   24.150  221.038   24.150  3710.76  209.369  3710.76  209.369 -0.000000 0.000000 
1 1 1  -11    0   23 o  838.546  162.080   12.262   3.7978   12.262   3.7978   12.262   3.7978  838.546  162.080  838.546  162.080 -0.000000 0.000000 
1 1 1  -11    0   25 o  1472.19  147.727   35.322   6.6526   35.322   6.6526   35.322   6.6526  1472.19  147.727  1472.19  147.727 -0.000000 0.000000 
1 1 1  -11    0   27 o  2230.37  113.224   79.140   7.8609   79.140   7.8609   79.140   7.8609  2230.37  113.224  2230.37  113.224 -0.000000 0.000000 
1 1 1  -11    0   29 o  565.927  132.722   5.8198   2.0437   5.8198   2.0437   5.8198   2.0437  565.927  132.722  565.927  132.722 -0.000000 0.000000 
1 1 1  -11    0   31 o  126.208   86.892  -0.8312   1.1327  -0.8312   1.1327  -0.8312   1.1327  126.208   86.892  126.208   86.892 -0.000000 0.000000 
1 1 1  -11    0   33 o  342.289  149.998   2.6716   1.6775   2.6716   1.6775   2.6716   1.6775  342.289  149.998  342.289  149.998 -0.000000 0.000000 
1 1 1  -11    0   35 o  1425.75  105.688   32.692   4.6587   32.692   4.6587   32.692   4.6587  1425.75  105.688  1425.75  105.688 -0.000000 0.000000 
1 1 1  -11    0   37 o  3019.36  130.496  146.195   12.285  146.195   12.285  146.195   12.285  3019.36  130.496  3019.36  130.496 -0.000000 0.000000 
1 1 1  -11    0   39 o  2588.95  121.652  107.264   9.8123  107.264   9.8123  107.264   9.8123  2588.95  121.652  2588.95  121.652 -0.000000 0.000000 
1 1 1  -11    0   41 o  644.586  143.283   7.4847   2.5274   7.4847   2.5274   7.4847   2.5274  644.586  143.283  644.586  143.283 -0.000000 0.000000 
1 1 1  -11    0   43 o  1826.70  109.560   53.338   6.2150   53.338   6.2150   53.338   6.2150  1826.70  109.560  1826.70  109.560 -0.000000 0.000000 
1 1 1  -11    0   45 o  4401.32  166.881  312.020   22.924  312.020   22.924  312.020   22.924  4401.32  166.881  4401.32  166.881 -0.000000 0.000000 
1 1 1  -11    0   47 o  1968.14  163.812   63.323   9.9344   63.323   9.9344   63.323   9.9344  1968.14  163.812  1968.14  163.812 -0.000000 0.000000 
1 1 1  -11    0   49 o  1690.94  159.105   46.926   8.2528   46.926   8.2528   46.926   8.2528  1690.94  159.105  1690.94  159.105 -0.000000 0.000000 
1 1 1  -11    0   51 o  4088.15  231.971  277.771   29.476  277.771   29.476  277.771   29.476  4088.15  231.971  4088.15  231.971 -0.000000 0.000000 
1 1 1  -11    0   53 o  946.583  195.127   16.205   5.1072   16.205   5.1072   16.205   5.1072  946.583  195.127  946.583  195.127 -0.000000 0.000000 
1 1 1  -11    0   55 o  457.691  222.968   5.1859   3.7601   5.1859   3.7601   5.1859   3.7601  457.691  222.968  457.691  222.968 -0.000000 0.000000 
1 1 1  -11    0   57 o  481.562  230.067   5.8125   3.9800   5.8125   3.9800   5.8125   3.9800  481.562  230.067  481.562  230.067 -0.000000 0.000000 
1 1 1  -11    0   59 o  2433.10  181.009  100.620   13.615  100.620   13.615  100.620   13.615  2433.10  181.009  2433.10  181.009 -0.000000 0.000000 
1 1 1  -11    0   61 o  2201.11  177.333   82.834   12.040   82.834   12.040   82.834   12.040  2201.11  177.333  2201.11  177.333 -0.000000 0.000000 
1 1 1  -11    0   63 o  598.805  252.296   8.8960   4.7693   8.8960   4.7693   8.8960   4.7693  598.805  252.296  598.805  252.296 -0.000000 0.000000 
1 1 1  -11    1    2 o  1786.41   71.659   50.065   4.0084   49.824   5.6637   50.306   5.6737  1777.35  102.199  1785.98  101.877 -8.635742 144.3033 
1 1 1  -11    1    4 o  1731.67   71.286   47.040   3.8653   49.280   5.4783   44.820   5.4545  1768.01   99.360  1685.30  103.869 82.71045 143.7397 
1 1 1  -11    1    6 o  3990.10  106.498  250.402   13.306  233.838   18.810  266.992   18.825  3845.80  156.201  4111.88  146.207 -266.0796 213.9511 
1 1 1  -11    1    8 o  1660.41   70.926   43.259   3.6875   44.228   5.2176   42.291   5.2123  1674.15   99.988  1636.67  102.219 37.48340 142.9910 
1 1 1  -11    1   10 o  640.760   68.713   6.5164   1.3571   5.1156   1.9087   7.9488   1.9300  559.994  112.752  705.597   89.359 -145.6027 143.8683 
1 1 1  -11    1   12 o  3305.14   94.856  171.900   9.8168  170.673   13.881  173.127   13.885  3284.80  134.956  3308.57  134.027 -23.76587 190.2009 
1 1 1  -11    1   14 o  2070.07   75.971   67.345   4.9243   65.360   6.9548   69.340   6.9733  2032.28  109.698  2094.00  106.706 -61.71912 153.0352 
1 1 1  -11    1   16 o  353.889   85.512   2.0502   0.9370   1.5704   1.2661   2.6311   1.3932  323.607  107.220  401.506  108.321 -77.89890 152.4126 
1 1 1  -11    1   18 o  408.383   95.398   2.7351   1.1979   2.2827   2.0426   2.9723   1.4789  396.371  136.193  425.733  110.112 -29.36224 175.1374 
1 1 1  -11    1   20 o  1004.89   78.922   15.995   2.4634   17.152   4.2595   15.414   3.0195  1029.79  135.377  982.937   99.476 46.84827 167.9953 
1 1 1  -11    1   22 o  3844.44  150.357  237.042   18.100  238.096   25.588  235.987   25.606  3800.01  215.937  3782.04  217.133 17.96948 306.2281 
1 1 1  -11    1   24 o  1373.73  100.152   30.111   4.2784   33.180   6.0623   27.065   6.0389  1431.16  136.951  1285.83  152.991 145.3329 205.3329 
1 1 1  -11    1   26 o  1237.67   80.863   24.380   3.1166   24.780   3.8112   23.573   5.4146  1242.91   98.742  1194.52  147.926 48.39197 177.8542 
1 1 1  -11    1   28 o  2858.01  103.273  131.281   9.2420  129.468   11.311  134.922   16.030  2818.58  128.163  2816.30  182.762 2.282227 223.2218 
1 1 1  -11    1   30 o  1171.16   82.224   22.008   2.9962   21.769   5.1626   22.129   3.6792  1134.50  148.926  1166.99  101.702 -32.49390 180.3399 
1 1 1  -11    1   32 o  1827.71   74.806   53.306   4.2812   53.718   6.0521   52.893   6.0569  1814.18  107.014  1799.49  107.993 14.68835 152.0342 
1 1 1  -11    1   34 o  1437.63   72.671   33.145   3.2607   32.565   4.5889   33.736   4.6342  1407.10  104.906  1432.88  103.996 -25.77502 147.7172 
1 1 1  -11    1   36 o  7080.99  199.368  948.382   44.205  941.759   62.514  955.005   62.515  6259.40  320.024  6334.66  315.171 -75.26172 449.1638 
1 1 1  -11    1   38 o  1364.49   73.604   30.176   3.1331   29.941   4.4171   30.413   4.4449  1334.73  106.576  1345.44  106.375 -10.70520 150.5794 
1 1 1  -11    1   40 o  1715.72   76.168   47.696   4.0920   50.635   5.8001   44.783   5.7739  1736.73  107.179  1625.67  114.152 111.0615 156.5823 
1 1 1  -11    1   42 o  3681.86  107.748  227.148   12.422  233.993   17.578  220.318   17.557  3610.92  155.462  3488.52  160.731 122.4063 223.6128 
1 1 1  -11    1   44 o  3059.39  112.601  159.063   10.787  161.889   13.221  153.437   18.656  3023.02  139.670  2712.69  221.568 310.3301 261.9163 
1 1 1  -11    1   46 o  1936.13   90.844   62.532   5.5074   70.938   6.7523   45.825   9.5191  2037.33  106.213  1465.71  213.696 571.6143 238.6364 
1 1 1  -11    1   48 o  1177.12   90.506   23.423   3.3104   23.435   4.0139   23.396   5.8536  1154.93  112.416  1069.01  181.355 85.92407 213.3705 
1 1 1  -11    1   50 o  1643.73   92.403   46.294   4.7366   47.469   5.8220   43.994   8.1460  1626.74  115.039  1430.48  186.283 196.2538 218.9411 
1 1 1  -11    1   52 o  2883.11  162.510  180.329   14.611  155.345   20.643  205.412   20.684  1858.66  367.710  2584.92  259.033 -726.2621 449.7878 
1 1 1  -11    1   54 o  929.230  139.787   19.394   3.9413   20.231   5.5782   18.560   5.5696  755.065  221.507  698.895  224.444 56.17010 315.3416 
1 1 1  -11    1   56 o  2052.76  218.512  167.031   13.829  169.507   19.601  164.577   19.515  652.589  315.428  632.550  307.867 20.03894 440.7682 
1 1 1  -11    1   58 o  477.473  173.891   10.962   3.3713   14.610   4.7668   7.3106   4.7688  419.581  185.225  309.835  151.103 109.7462 239.0407 
1 1 1  -11    1   60 o  917.166  221.397   50.800   6.2858   57.653   8.9346   44.084   8.8452  418.702  204.761  343.460  173.338 75.24203 268.2783 
1 1 1  -11    1   62 o  ?   ?    3.9347   4.0379   0.0000   0.0000   3.9347   4.0379  ?   ?   ?   ?  0.000000      ? 
1 1 1  -11    2    1 o  901.817   76.257   12.855   2.1332   12.705   2.6165   13.153   3.6838  894.130   94.906  903.504  134.297 -9.374512 164.4469 
1 1 1  -11    2    3 o  958.534   65.261   14.476   1.9471   15.777   2.7594   13.186   2.7478  998.291   89.216  910.781   97.886 87.51062 132.4431 
1 1 1  -11    2    5 o  2162.07   76.460   73.362   5.1764   73.218   7.3245   73.505   7.3164  2154.59  108.921  2158.87  108.578 -4.281494 153.7953 
1 1 1  -11    2    7 o  1648.44   70.496   42.636   3.6388   43.333   5.1489   41.941   5.1431  1657.10   99.695  1629.96  101.271 27.14319 142.1088 
1 1 1  -11    2    9 o  375.167   80.290   2.2949   0.9147   2.2133   1.3120   2.3720   1.2759  371.045  107.021  382.086  103.902 -11.04034 149.1614 
1 1 1  -11    2   11 o  697.402   80.545   7.7423   1.7265   7.6494   2.9853   7.7890   2.1164  682.568  144.197  696.479   99.906 -13.91077 175.4252 
1 1 1  -11    2   13 o  1853.72   73.175   53.979   4.2474   50.959   6.0011   57.011   6.0124  1794.55  107.288  1899.48  101.454 -104.9364 147.6605 
1 1 1  -11    2   15 o  172.536   76.119  -0.2487   0.8038   2.0550   1.4614  -1.2479   0.9625  363.307  114.792  153.333   72.991 209.9737 136.0328 
1 1 1  -11    2   17 o  2899.66  101.151  132.672   9.1841  139.102   15.910  129.458   11.247  2942.18  173.463  2858.28  125.667 83.89648 214.2003 
1 1 1  -11    2   19 o  2086.76   87.620   68.621   5.7252   59.237   9.8769   73.370   7.0260  1916.08  166.272  2154.88  104.129 -238.8057 196.1864 
1 1 1  -11    2   21 o  960.442   99.198   14.733   2.9403   15.905   4.1038   13.497   4.2148  990.178  135.948  906.194  154.051 83.98389 205.4597 
1 1 1  -11    2   23 o  1902.49   86.025   57.185   5.1247   56.240   6.2624   59.100   8.9162  1879.20  106.869  1911.07  150.210 -31.87170 184.3473 
1 1 1  -11    2   25 o  1893.21  107.327   57.362   6.3363   65.289   8.9551   49.415   8.9667  2003.37  143.709  1729.67  167.663 273.7051 220.8243 
1 1 1  -11    2   27 o  1950.10   87.966   60.560   5.3714   61.663   6.5682   58.332   9.3333  1956.91  107.605  1871.65  160.817 85.26514 193.4962 
1 1 1  -11    2   29 o  700.578  110.403   8.1146   2.3417   7.3212   3.2903   8.9290   3.3335  648.454  162.402  720.502  152.509 -72.04828 222.7859 
1 1 1  -11    2   31 o  3432.98  116.048  192.409   12.475  192.209   15.288  192.808   21.580  3394.04  143.850  3280.46  211.208 113.5845 255.5416 
1 1 1  -11    2   33 o  1922.13   76.532   59.114   4.6062   60.048   6.5162   58.182   6.5120  1913.36  109.215  1881.90  111.002 31.45471 155.7219 
1 1 1  -11    2   35 o  3089.85   94.713  155.742   9.1636  152.619   12.958  158.867   12.961  2991.23  138.346  3057.16  135.392 -65.92798 193.5728 
1 1 1  -11    2   37 o  1737.53   76.017   48.816   4.1358   47.524   5.8467   50.110   5.8512  1680.82  111.726  1729.36  108.606 -48.53857 155.8136 
1 1 1  -11    2   39 f  279.397  104.931   1.0392   1.2442   1.9198   1.7366   0.1104   1.7835  350.702  125.181  270.188  116.353 80.51425 170.9046 
1 1 1  -11    2   41 o  3260.15  115.742  179.423   11.815  176.955   14.474  184.349   20.454  3170.90  145.782  3039.08  216.354 131.8193 260.8857 
1 1 1  -11    2   43 o  1476.09   88.868   35.906   4.0883   36.461   5.0198   34.813   7.0460  1468.31  109.980  1370.61  167.672 97.70117 200.5234 
1 1 1  -11    2   45 o  2151.20   94.340   77.147   6.3547   81.413   7.8109   68.797   10.928  2175.69  115.063  1863.08  189.989 312.6094 222.1151 
1 1 1  -11    2   47 o  3061.33  115.137  163.217   11.037  165.449   13.534  158.786   19.070  2997.29  144.201  2634.87  233.562 362.4177 274.4902 
1 1 1  -11    2   49 o  3101.14  118.286  171.042   11.486  172.527   14.072  168.080   19.881  3009.43  149.336  2599.30  247.244 410.1262 288.8444 
1 1 1  -11    2   51 o  231.779  105.158  -0.4660   1.6538  -2.0521   1.9998   2.9651   2.9413  216.492  103.644  397.906  158.041 -181.4139 188.9948 
1 1 1  -11    2   53 o  1298.17   96.509   30.952   3.8949   30.742   4.7842   31.363   6.7074  1233.57  125.613  1061.21  209.288 172.3580 244.0904 
1 1 1  -11    2   55 o  2354.16  303.522  298.436   21.853  331.346   30.992  265.897   30.818  673.164  337.745  ?   ?  0.000000 337.7450 
1 1 1  -11    2   57 o  1315.64  152.847   50.840   6.1793   57.612   8.8845   44.496   8.6002  816.563  283.844  595.915  256.049 220.6478 382.2676 
1 1 1  -11    2   59 o  974.010  195.713   42.521   5.7618   42.960   8.2995   42.112   8.0053  426.528  205.935  444.339  211.226 -17.81131 295.0011 
1 1 1  -11    2   61 o  332.068  166.850   40.164   7.7095   0.0000   0.0000   40.164   7.7095  ?   ?   332.068  166.850 0.000000 166.8503 
1 1 1  -11    2   63 o  ?   ?    76.603   11.324   0.0000   0.0000   76.603   11.324  ?   ?   ?   ?  0.000000      ? 
1 1 1  -11    3    2 o  1825.43   72.379   52.291   4.1371   55.061   5.8538   49.526   5.8477  1868.50  100.421  1771.05  105.933 97.44824 145.9665 
1 1 1  -11    3    4 o  3715.53  101.953  217.121   11.861  220.235   16.780  214.010   16.770  3733.79  143.521  3680.18  145.525 53.60718 204.3918 
1 1 1  -11    3    6 o  1758.82   72.160   48.546   3.9741   48.995   5.6180   48.096   5.6224  1761.92  102.270  1745.49  103.330 16.43274 145.3830 
1 1 1  -11    3    8 o  1234.77   67.711   23.995   2.6079   23.765   3.6944   24.222   3.6821  1225.48   97.070  1237.44   95.774 -11.95544 136.3641 
1 1 1  -11    3   10 o  3390.00   94.430  180.786   10.024  182.691   14.179  178.882   14.172  3399.81  133.194  3363.85  134.547 35.95508 189.3239 
1 1 1  -11    3   12 o  628.126   70.621   6.2733   1.3649   6.3491   1.9368   6.1985   1.9238  626.885  102.191  619.139  102.838 7.746887 144.9781 
1 1 1  -11    3   14 o  3326.41  109.512  174.652   11.407  190.365   19.760  166.799   13.969  3442.95  183.956  3243.19  137.555 199.7646 229.6978 
1 1 1  -11    3   16 o  629.044   83.546   6.3347   1.6049   6.1055   2.8040   6.4463   1.9572  607.660  148.602  631.324  102.523 -23.66400 180.5367 
1 1 1  -11    3   18 o  2324.21   92.668   85.161   6.7441   89.818   11.673   82.827   8.2625  2366.34  158.461  2284.89  115.865 81.45215 196.3017 
1 1 1  -11    3   20 f  2478.52   81.988   96.775   6.3630   98.088   9.0027   95.464   8.9945  2487.70  115.573  2453.81  117.062 33.89526 164.5016 
1 1 1  -11    3   22 o  854.291   69.958   11.564   1.8550   12.291   2.6297   10.845   2.6170  876.125   97.512  820.996  104.141 55.12860 142.6670 
1 1 1  -11    3   24 o  2887.82  103.558  132.645   9.3642  138.577   11.463  120.743   16.236  2941.46  124.453  2697.26  193.526 244.2004 230.0893 
1 1 1  -11    3   26 o  2717.92  100.229  117.970   8.5300  118.908   10.438  116.085   14.801  2715.40  122.759  2633.73  180.564 81.67090 218.3416 
1 1 1  -11    3   28 o  2624.42  122.539  111.941   10.070  106.647   14.238  117.240   14.244  2500.72  183.109  2633.09  173.734 -132.3711 252.4131 
1 1 1  -11    3   30 o  803.440   84.850   10.428   2.1023   10.522   2.5628   10.234   3.6760  800.822  104.712  768.839  157.977 31.98230 189.5293 
1 1 1  -11    3   32 o  1579.62  104.945   40.697   5.1612   40.697   5.1612   0.0000   0.0000  1579.62  104.945  ?   ?  0.000000 104.9445 
1 1 1  -11    3   34 o  648.908   78.452   6.8518   1.5617   5.8331   2.1951   7.8958   2.2223  582.245  124.190  687.052  106.764 -104.8071 163.7733 
1 1 1  -11    3   36 o  2853.39  105.857  134.938   9.4580  134.281   11.587  136.248   16.373  2803.76  131.977  2689.74  195.749 114.0229 236.0836 
1 1 1  -11    3   38 o  3001.69  107.770  150.577   10.129  152.786   12.430  146.211   17.477  2973.86  133.486  2736.40  205.468 237.4602 245.0216 
1 1 1  -11    3   40 o  2877.94  107.062  138.164   9.6479  142.164   11.844  130.276   16.632  2874.54  131.590  2581.90  207.480 292.6438 245.6909 
1 1 1  -11    3   42 o  2453.83   98.907   99.677   7.5996   99.601   9.3194   99.828   13.129  2413.95  123.710  2304.75  183.449 109.1987 221.2637 
1 1 1  -11    3   44 f  1815.75   89.418   54.356   5.0839   53.261   6.2469   56.503   8.7486  1767.76  113.455  1750.71  161.409 17.05188 197.2942 
1 1 1  -11    3   46 o  4092.07  143.781  304.379   18.423  299.773   22.575  313.562   31.877  3885.68  185.544  3444.75  298.479 440.9329 351.4490 
1 1 1  -11    3   48 o  3175.45  119.793  178.150   11.911  181.806   14.607  170.893   20.578  3108.75  150.057  2643.04  251.684 465.7078 293.0216 
1 1 1  -11    3   50 o  2084.75   96.536   74.828   6.3017   76.999   7.7416   70.564   10.849  2061.47  120.457  1784.33  197.484 277.1348 231.3221 
1 1 1  -11    3   52 o  1229.48   92.468   26.760   3.5338   28.296   4.3858   23.917   5.9665  1225.88  115.622  976.351  201.831 249.5314 232.6030 
1 1 1  -11    3   54 o  1518.99   98.856   44.251   4.6763   44.856   5.7428   43.060   8.0564  1442.38  128.498  1091.58  242.049 350.7966 274.0432 
1 1 1  -11    3   56 o  2763.97  177.007  242.023   15.239  242.883   18.685  240.314   26.334  1924.78  321.357  ?   ?  0.000000 321.3568 
1 1 1  -11    3   58 o  384.827  175.099   12.171   4.6275   0.0000   0.0000   12.171   4.6275  ?   ?   384.827  175.099 0.000000 175.0991 
1 1 1  -11    4    1 o  1096.64   66.775   18.939   2.2820   18.114   3.2277   19.763   3.2268  1068.77   97.521  1117.34   93.077 -48.56604 134.8097 
1 1 1  -11    4    3 o  2090.40   75.348   68.600   4.9320   73.583   6.9834   63.641   6.9663  2162.44  103.135  2007.19  111.275 155.2443 151.7207 
1 1 1  -11    4    5 o  2262.59   78.162   80.386   5.5376   79.589   7.8286   81.184   7.8340  2247.97  111.219  2270.51  110.190 -22.54053 156.5614 
1 1 1  -11    4    7 o  2777.10   84.701  121.182   7.3654  120.886   10.416  121.479   10.417  2768.65  120.145  2775.49  119.859 -6.831787 169.7089 
1 1 1  -11    4    9 o  980.674   67.306   15.165   2.0543   15.446   2.9033   14.883   2.9070  986.327   95.189  967.687   97.256 18.64050 136.0868 
1 1 1  -11    4   11 o  3694.66  118.079  215.512   13.660  199.359   23.629  223.621   16.742  3513.33  215.831  3756.44  142.333 -243.1047 258.5377 
1 1 1  -11    4   13 o  327.243   95.185   1.7187   1.0340   1.5887   1.8165   1.7810   1.2576  350.589  127.647  338.208  106.441 12.38135 166.2032 
1 1 1  -11    4   15 o  2007.68   86.764   63.443   5.4544   66.572   9.4368   61.873   6.6840  2040.98  148.685  1976.85  108.395 64.13074 184.0016 
1 1 1  -11    4   17 o  365.899   89.424   2.1929   1.0159   2.8220   1.4394   1.5686   1.4339  415.194  109.243  330.757  114.085 84.43674 157.9537 
1 1 1  -11    4   19 o  905.711   68.454   12.968   1.9270   12.040   2.7106   13.916   2.7401  867.267  101.748  934.420   94.971 -67.15253 139.1836 
1 1 1  -11    4   21 o  699.821   74.560   7.7980   1.6087   8.3638   2.2835   7.2404   2.2667  719.601  104.389  666.849  112.561 52.75146 153.5155 
1 1 1  -11    4   23 o  5901.68  172.217  567.170   31.825  554.003   38.964  593.557   55.161  5769.92  215.663  5798.54  304.875 -28.61475 373.4430 
1 1 1  -11    4   25 o  1265.23   81.062   25.460   3.1946   24.151   3.8948   28.152   5.5844  1226.42  102.357  1312.09  137.993 -85.66895 171.8106 
1 1 1  -11    4   27 o  2055.68  111.488   68.250   7.1495   64.576   10.102   71.936   10.119  1963.54  165.865  2080.33  156.493 -116.7971 228.0381 
1 1 1  -11    4   29 o  2548.99   97.943  104.411   7.8174  107.144   9.5705   98.930   13.551  2566.38  119.095  2402.14  181.496 164.2451 217.0820 
1 1 1  -11    4   31 o  1674.23  106.854   45.627   5.5725   45.627   5.5725   0.0000   0.0000  1674.23  106.854  ?   ?  0.000000 106.8535 
1 1 1  -11    4   33 o  779.386  108.262   10.092   2.5707   10.092   2.5707   0.0000   0.0000  779.386  108.262  ?   ?  0.000000 108.2617 
1 1 1  -11    4   35 o  2696.52  102.921  119.552   8.6901  115.808   10.652  127.003   15.026  2616.99  129.993  2643.42  182.658 -26.42456 224.1921 
1 1 1  -11    4   37 o  2341.90   94.558   90.083   6.9340   90.906   8.5212   88.470   11.930  2320.73  117.648  2196.11  174.934 124.6167 210.8148 
1 1 1  -11    4   39 o  1164.59   87.975   22.260   3.1845   21.259   3.9372   24.153   5.4151  1120.97  113.745  1162.97  152.368 -41.99988 190.1422 
1 1 1  -11    4   41 o  1463.64   84.199   34.955   3.8426   40.444   4.7916   25.064   6.4323  1563.34   98.385  1155.07  184.018 408.2728 208.6680 
1 1 1  -11    4   43 o  969.962   91.142   15.585   2.7357   16.544   3.4301   13.908   4.5351  985.456  113.216  856.830  174.950 128.6266 208.3879 
1 1 1  -11    4   45 o  1855.48   93.772   57.386   5.4305   52.133   6.6858   67.569   9.3094  1729.28  124.303  1913.91  156.713 -184.6349 200.0257 
1 1 1  -11    4   47 o  1250.36   90.335   26.225   3.5130   25.387   4.3397   27.818   5.9833  1204.15  116.556  1204.20  162.858 -0.4614258E-01 200.2699 
1 1 1  -11    4   49 o  549.640  121.071   5.5399   2.0274   4.2493   2.5302   7.8551   3.3888  466.178  151.431  615.723  170.122 -149.5450 227.7565 
1 1 1  -11    4   51 o  3451.50  132.547  227.191   14.325  226.052   17.574  229.446   24.728  3239.95  173.867  2611.07  308.397 628.8762 354.0320 
1 1 1  -11    4   53 o  2829.38  124.767  161.984   11.054  155.621   13.558  174.601   19.090  2527.52  172.336  2018.43  312.112 509.0889 356.5303 
1 1 1  -11    4   55 o  2260.27  319.038  295.800   21.952  296.227   31.032  295.373   31.057  ?   ?   ?   ?  0.000000      ? 
1 1 1  -11    4   57 o  1151.23  144.785   36.935   5.1037   37.335   7.1646   36.523   7.2722  695.183  253.448  653.809  251.746 41.37372 357.2281 
1 1 1  -11    4   59 o  229.367  113.091   0.4458   2.9078   0.4458   2.9078   0.0000   0.0000  229.367  113.091  ?   ?  0.000000 113.0909 
1 1 1  -11    4   61 o  ?   ?   242.187   18.695  242.810   26.581  241.577   26.298  ?   ?   ?   ?  0.000000      ? 
1 1 1  -11    4   63 o  301.987  144.337   15.401   3.8441   19.431   5.7611   12.167   5.1609  ?   ?   ?   ?  0.000000      ? 
1 1 1  -11    5    2 o  1486.55   68.820   34.683   3.2034   34.851   4.5331   34.516   4.5274  1485.06   98.037  1477.82   98.401 7.242432 138.9029 
1 1 1  -11    5    4 o  3414.49   97.289  183.433   10.402  175.209   14.708  191.661   14.712  3328.05  141.141  3482.34  134.926 -154.2959 195.2583 
1 1 1  -11    5    6 o  837.350   68.830   11.079   1.7887   10.149   2.5296   12.009   2.5296  796.204  103.946  868.691   94.522 -72.48688 140.4957 
1 1 1  -11    5    8 o  2894.75  101.644  131.957   9.2132  132.824   15.931  131.521   11.293  2882.07  177.397  2885.69  124.983 -3.622314 217.0036 
1 1 1  -11    5   10 o  945.903   79.659   14.160   2.3374   16.461   4.0360   12.999   2.8672  1012.11  130.382  902.533  103.318 109.5781 166.3553 
1 1 1  -11    5   12 o  4042.57  125.704  258.468   15.912  256.055   27.526  259.678   19.500  3975.79  221.996  4041.80  154.080 -66.00122 270.2276 
1 1 1  -11    5   14 o  505.521   78.398   4.1116   1.2008   3.6020   1.6534   4.6803   1.7468  468.336  113.853  535.205  107.955 -66.86981 156.8978 
1 1 1  -11    5   16 o  1403.85   68.994   30.964   3.0328   32.950   4.2926   28.984   4.2856  1442.75   95.560  1351.66  102.009 91.09058 139.7769 
1 1 1  -11    5   18 o  1721.83   73.717   46.626   3.9744   51.132   5.6269   42.140   5.6145  1796.92  100.407  1628.65  110.752 168.2675 149.4912 
1 1 1  -11    5   20 o  1589.08   84.008   39.919   4.1652   44.419   5.0996   30.899   7.2194  1673.74   97.728  1375.42  171.344 298.3181 197.2556 
1 1 1  -11    5   22 o  1643.88   81.834   42.664   4.2123   38.895   5.1230   50.531   7.4011  1561.92  105.365  1771.79  134.405 -209.8684 170.7819 
1 1 1  -11    5   24 o  739.853   88.371   8.7991   2.0067   9.3031   2.4268   7.7094   3.5685  757.101  105.214  673.142  169.426 83.95892 199.4371 
1 1 1  -11    5   26 o  2449.39  173.363  100.342   13.210  100.342   13.210   0.0000   0.0000  2449.39  173.363  ?   ?  0.000000 173.3628 
1 1 1  -11    5   28 o  423.410  125.740   2.9709   1.7883   2.9709   1.7883   0.0000   0.0000  423.410  125.740  ?   ?  0.000000 125.7402 
1 1 1  -11    5   30 f  2156.35  112.824   75.676   7.5914   75.676   7.5914   0.0000   0.0000  2156.35  112.824  ?   ?  0.000000 112.8235 
1 1 1  -11    5   32 o  1815.86  108.077   53.861   6.1174   53.861   6.1174   0.0000   0.0000  1815.86  108.077  ?   ?  0.000000 108.0773 
1 1 1  -11    5   34 o  3183.37  137.838  171.523   13.740  171.523   13.740   0.0000   0.0000  3183.37  137.838  ?   ?  0.000000 137.8376 
1 1 1  -11    5   36 o  1330.23   84.164   28.805   3.4876   29.169   4.2814   28.089   6.0127  1325.48  103.991  1257.66  156.033 67.82361 187.5114 
1 1 1  -11    5   38 o  2404.67   96.848   95.065   7.2923   99.521   8.9753   86.410   12.508  2432.68  117.828  2152.18  187.486 280.5076 221.4371 
1 1 1  -11    5   40 o  3308.10  114.181  182.984   11.827  190.253   14.530  168.707   20.362  3320.99  139.725  2918.87  224.512 402.1235 264.4403 
1 1 1  -11    5   42 o  359.661  121.592   2.1098   1.6274   2.9379   2.2349   1.1752   2.3744  417.378  142.483  344.127  140.124 73.25131 199.8407 
1 1 1  -11    5   44 o  3277.92  116.529  182.956   11.960  187.206   14.685  174.580   20.614  3246.32  144.465  2881.32  230.413 365.0078 271.9568 
1 1 1  -11    5   46 o  1055.80   90.098   18.622   2.9501   19.294   3.6757   17.405   4.9455  1056.54  112.851  946.724  173.211 109.8188 206.7300 
1 1 1  -11    5   48 o  1190.61   90.253   23.848   3.3397   25.450   4.1826   21.030   5.5476  1208.35  111.811  1021.37  180.041 186.9813 211.9350 
1 1 1  -11    5   50 o  988.635   92.607   16.802   2.8334   18.914   3.5507   13.101   4.7012  1028.85  112.028  758.408  196.404 270.4443 226.1082 
1 1 1  -11    5   52 o  1083.28  114.643   22.195   3.8296   22.247   5.3691   22.141   5.4639  967.307  183.986  954.828  189.440 12.47949 264.0808 
1 1 1  -11    5   54 o  1468.96  318.208  110.512   14.213  110.512   14.213   0.0000   0.0000  1468.96  318.208  ?   ?  0.000000 318.2080 
1 1 1  -11    5   56 o  1420.63  108.038   43.675   4.7699   43.605   5.9089   43.805   8.0814  1263.34  152.454  811.008  270.970 452.3350 310.9131 
1 1 1  -11    5   58 o  555.113  178.230   13.298   3.5123   13.298   3.5123   0.0000   0.0000  555.113  178.230  ?   ?  0.000000 178.2299 
1 1 1  -11    5   60 o  1743.47  161.624  117.373   8.7231  122.814   10.742  106.840   14.946  1051.38  307.092  ?   ?  0.000000 307.0923 
1 1 1  -11    5   62 o  811.039  158.479   28.758   3.8804   28.059   4.8419   30.014   6.4877  454.342  193.583  299.502  150.815 154.8400 245.3965 
1 1 1  -11    6    1 o  1320.43   79.950   27.495   3.2900   28.457   4.0223   25.549   5.7189  1341.28   96.415  1261.47  147.572 79.80688 176.2761 
1 1 1  -11    6    3 f  1558.27   81.460   38.260   3.9609   38.541   4.8389   37.689   6.8952  1561.58   99.480  1535.99  145.084 25.59265 175.9134 
1 1 1  -11    6    5 o  2532.03  115.654  101.129   9.1696   94.682   12.921  107.669   13.015  2433.70  170.637  2598.88  160.720 -165.1846 234.4096 
1 1 1  -11    6    7 o  1313.38   99.701   27.315   4.0696   30.727   5.7031   23.776   5.8090  1387.71  132.874  1214.19  156.430 173.5186 205.2457 
1 1 1  -11    6    9 o  901.160   97.818   12.935   2.7159   11.563   3.7623   14.428   3.9244  841.943  148.118  945.282  136.544 -103.3389 201.4527 
1 1 1  -11    6   11 o  1827.48   84.078   52.518   4.8112   48.452   5.8713   60.829   8.3941  1749.62  107.694  1954.80  138.025 -205.1796 175.0681 
1 1 1  -11    6   13 o  2553.35   96.047  102.695   7.6791  102.410   9.3921  103.271   13.337  2545.90  117.815  2539.22  168.708 6.684570 205.7735 
1 1 1  -11    6   15 o  1755.48   84.843   48.498   4.6637   48.930   5.6957   47.618   8.1240  1758.04  103.928  1723.35  152.112 34.69031 184.2255 
1 1 1  -11    6   17 o  3144.86  109.211  156.329   10.754  161.569   13.164  145.814   18.648  3190.22  131.779  2997.99  199.795 192.2334 239.3405 
1 1 1  -11    6   19 o  1713.71   84.489   46.291   4.5337   48.982   5.5428   40.850   7.8805  1757.45  101.151  1588.48  160.645 168.9739 189.8372 
1 1 1  -11    6   21 o  1011.06  100.444   16.351   3.1378   16.351   3.1378   0.0000   0.0000  1011.06  100.444  ?   ?  0.000000 100.4436 
1 1 1  -11    6   23 o  1639.00  103.603   42.921   5.2897   42.921   5.2897   0.0000   0.0000  1639.00  103.603  ?   ?  0.000000 103.6033 
1 1 1  -11    6   25 o  2235.58  166.221   82.902   11.552   82.902   11.552   0.0000   0.0000  2235.58  166.221  ?   ?  0.000000 166.2206 
1 1 1  -11    6   27 o  3622.67  220.855  229.857   24.933  229.857   24.933   0.0000   0.0000  3622.67  220.855  ?   ?  0.000000 220.8547 
1 1 1  -11    6   29 o  2189.83  114.568   77.917   7.8285   77.917   7.8285   0.0000   0.0000  2189.83  114.568  ?   ?  0.000000 114.5681 
1 1 1  -11    6   31 o  2634.75  123.754  113.919   10.210  113.919   10.210   0.0000   0.0000  2634.75  123.754  ?   ?  0.000000 123.7544 
1 1 1  -11    6   33 o  852.920  106.581   12.045   2.7843   12.045   2.7843   0.0000   0.0000  852.920  106.581  ?   ?  0.000000 106.5808 
1 1 1  -11    6   35 o  2234.73   90.717   81.205   6.3479   85.616   7.8103   72.620   10.896  2275.25  109.629  2009.95  174.864 265.2936 206.3873 
1 1 1  -11    6   37 f  2252.97   94.350   83.031   6.6560   85.064   8.1814   79.053   11.447  2252.97  116.370  2084.44  177.051 168.5273 211.8702 
1 1 1  -11    6   39 o  714.041   99.473   8.5042   2.1636   10.008   2.8014   6.2813   3.4062  765.178  120.941  582.648  173.653 182.5297 211.6179 
1 1 1  -11    6   41 o  1628.56   89.157   43.325   4.5292   42.955   5.6245   44.009   7.6390  1601.76  112.864  1575.28  156.957 26.48022 193.3234 
1 1 1  -11    6   43 o  3678.27  126.038  231.431   14.517  236.118   17.824  222.196   25.018  3632.27  156.715  3226.48  249.568 405.7881 294.6929 
1 1 1  -11    6   45 o  1880.03   92.119   58.530   5.4229   57.505   6.7264   60.434   9.1658  1828.99  118.081  1802.88  164.162 26.11877 202.2183 
1 1 1  -11    6   47 f  2467.56  104.368  103.413   8.0640   96.231   9.9220  117.388   13.841  2312.08  137.674  2437.88  182.639 -125.7976 228.7160 
1 1 1  -11    6   49 o  852.151  120.221   13.037   3.1187   8.3146   4.4180   17.728   4.4031  604.699  200.284  962.362  151.095 -357.6636 250.8856 
1 1 1  -11    6   51 o  2122.28  126.524   85.096   8.3698   90.162   11.859   80.067   11.815  1970.74  194.717  1801.33  213.633 169.4070 289.0564 
1 1 1  -11    6   53 o  1479.19   95.235   40.407   4.3875   38.887   5.4167   43.307   7.4817  1372.05  127.541  1269.92  194.334 102.1344 232.4488 
1 1 1  -11    6   55 o  2247.35  117.320  109.608   8.2272  110.607   10.123  107.663   14.121  2026.63  160.837  1102.29  357.735 924.3390 392.2280 
1 1 1  -11    6   57 o  1517.49  148.979   65.765   6.9876   65.765   6.9876   0.0000   0.0000  1517.49  148.979  ?   ?  0.000000 148.9788 
1 1 1  -11    6   59 o  1204.06  107.028   35.454   3.9931   41.317   5.0186   25.339   6.5920  1162.01  140.804  397.705  189.788 764.2994 236.3163 
1 1 1  -11    6   61 o  426.261  153.399   9.4108   2.6127   10.692   3.2986   7.2532   4.2803  362.765  157.222  257.922  128.832 104.8430 203.2646 
1 1 1  -11    7    2 o  2681.79   93.341  113.152   7.8381  106.239   13.546  116.632   9.6105  2579.15  168.658  2719.66  112.854 -140.5137 202.9319 
1 1 1  -11    7    4 o  1100.46   96.069   19.201   3.2772   15.963   4.5892   22.571   4.6814  992.199  152.603  1188.57  127.795 -196.3719 199.0452 
1 1 1  -11    7    6 f  1573.28  101.670   39.141   4.9818   46.697   7.0338   31.535   7.0569  1713.56  132.110  1399.37  164.171 314.1932 210.7257 
1 1 1  -11    7    8 o  2035.49   88.320   65.164   5.6292   69.511   6.8912   56.448   9.7589  2100.33  104.782  1876.22  167.885 224.1029 197.9010 
1 1 1  -11    7   10 o  1946.31   86.169   59.577   5.2515   56.613   6.4128   65.611   9.1500  1891.70  108.719  2029.18  144.962 -137.4741 181.2011 
1 1 1  -11    7   12 o  2626.57   96.755  108.664   7.9576  103.852   9.7287  118.392   13.832  2563.37  121.206  2721.98  163.041 -158.6147 203.1588 
1 1 1  -11    7   14 o  2293.75  112.650   83.106   8.0909   83.106   8.0909   0.0000   0.0000  2293.75  112.650  ?   ?  0.000000 112.6505 
1 1 1  -11    7   16 o  434.991  117.798   3.0940   1.6440   3.0940   1.6440   0.0000   0.0000  434.991  117.798  ?   ?  0.000000 117.7979 
1 1 1  -11    7   18 o  2929.05  124.776  136.249   11.444  136.249   11.444   0.0000   0.0000  2929.05  124.776  ?   ?  0.000000 124.7764 
1 1 1  -11    7   20 o  1392.08   99.720   30.842   4.3180   30.842   4.3180   0.0000   0.0000  1392.08   99.720  ?   ?  0.000000 99.72045 
1 1 1  -11    7   22 o  1740.17  106.596   48.383   5.7803   48.383   5.7803   0.0000   0.0000  1740.17  106.596  ?   ?  0.000000 106.5959 
1 1 1  -11    7   24 o  1512.33  103.931   36.689   4.8917   36.689   4.8917   0.0000   0.0000  1512.33  103.931  ?   ?  0.000000 103.9307 
1 1 1  -11    7   26 o  843.305  104.948   11.567   2.7113   11.567   2.7113   0.0000   0.0000  843.305  104.948  ?   ?  0.000000 104.9483 
1 1 1  -11    7   28 o  1864.00  155.651   58.002   9.0017   58.002   9.0017   0.0000   0.0000  1864.00  155.651  ?   ?  0.000000 155.6514 
1 1 1  -11    7   30 o  1528.27  105.234   37.897   5.0052   37.897   5.0052   0.0000   0.0000  1528.27  105.234  ?   ?  0.000000 105.2345 
1 1 1  -11    7   32 o  1499.48  103.657   36.681   4.8371   36.681   4.8371   0.0000   0.0000  1499.48  103.657  ?   ?  0.000000 103.6573 
1 1 1  -11    7   34 o  751.135  115.177   9.5097   2.6225   9.5097   2.6225   0.0000   0.0000  751.135  115.177  ?   ?  0.000000 115.1766 
1 1 1  -11    7   36 o  1991.08   90.747   64.461   5.6577   61.814   6.9388   69.710   9.7725  1924.82  115.664  1992.88  157.897 -68.05981 195.7288 
1 1 1  -11    7   38 o  2248.01   95.571   82.446   6.7273   78.896   8.2601   89.439   11.594  2168.86  122.125  2248.11  165.868 -79.24585 205.9774 
1 1 1  -11    7   40 o  3922.75  130.392  260.192   16.016  262.854   19.652  254.926   27.639  3864.67  162.397  3543.09  250.751 321.5776 298.7453 
1 1 1  -11    7   42 o  1602.51   88.356   41.966   4.4164   40.059   5.4727   45.526   7.4783  1544.36  113.977  1607.89  150.279 -63.53186 188.6119 
1 1 1  -11    7   44 o  1746.76  109.956   51.472   5.9834   52.120   8.5173   50.840   8.4074  1687.52  163.229  1666.63  163.197 20.89368 230.8183 
1 1 1  -11    7   46 o  1578.39  109.323   42.434   5.3698   43.576   7.6392   41.319   7.5497  1528.99  162.030  1484.05  165.273 44.93652 231.4498 
1 1 1  -11    7   48 o  1616.56  111.795   45.248   5.6241   43.170   8.0090   47.269   7.8995  1479.95  176.298  1571.98  162.848 -92.03027 240.0003 
1 1 1  -11    7   50 o  1352.16   89.132   31.184   3.7526   35.247   4.7177   24.184   6.1919  1412.09  107.505  1041.77  197.036 370.3179 224.4563 
1 1 1  -11    7   52 o  1971.92   99.796   70.874   6.1419   72.257   7.5968   68.263   10.436  1907.20  127.951  1580.82  216.525 326.3816 251.5043 
1 1 1  -11    7   54 o  2089.79  111.336   88.677   7.2592   86.136   8.9738   93.487   12.347  1874.87  154.227  1477.78  277.015 397.0848 317.0542 
1 1 1  -11    7   56 o  2485.60  134.294  153.089   10.413  161.712   12.817  136.340   17.862  2206.32  187.289  625.965  302.198 1580.353 355.5295 
1 1 1  -11    7   58 o  1318.15  106.336   40.287   4.3516   43.969   5.4438   33.770   7.2427  1223.62  144.896  523.383  229.779 700.2364 271.6489 
1 1 1  -11    7   60 o  612.867  147.048   12.999   2.7858   11.042   3.4975   16.394   4.6075  394.132  166.066  393.864  177.400 0.2682495 242.9986 
1 1 1  -11    7   62 f  906.241  149.102   32.763   4.0838   34.539   5.0941   29.570   6.8320  578.926  213.307  289.346  146.674 289.5808 258.8693 
1 1 1  -11    8    1 o  1804.94   84.690   51.212   4.7864   53.769   8.2757   49.927   5.8673  1836.76  145.072  1777.02  105.927 59.73877 179.6289 
1 1 1  -11    8    3 o  3139.51  106.151  155.296   10.435  153.867   18.060  156.012   12.785  3099.24  186.980  3141.80  129.963 -42.56323 227.7097 
1 1 1  -11    8    5 o  923.399   67.505   13.455   1.9383   11.880   2.7527   15.004   2.7298  862.328  104.048  972.505   90.691 -110.1766 138.0244 
1 1 1  -11    8    7 o  1262.55   79.235   25.145   3.1165   26.402   3.8265   22.668   5.3712  1291.73   95.278  1186.98  147.710 104.7516 175.7730 
1 1 1  -11    8    9 o  2292.29   91.529   82.685   6.5697   82.601   8.0630   82.850   11.332  2288.18  112.535  2277.46  159.921 10.71509 195.5482 
1 1 1  -11    8   11 o  1083.83   78.841   18.561   2.6573   18.309   3.2728   19.050   4.5523  1073.64   98.449  1088.35  136.588 -14.71582 168.3700 
1 1 1  -11    8   13 o  2427.47   94.350   92.830   7.1715   92.523   8.7972   93.439   12.382  2419.60  116.115  2414.88  164.735 4.718750 201.5449 
1 1 1  -11    8   15 o  1319.27  101.317   27.627   4.1534   27.627   4.1534   0.0000   0.0000  1319.27  101.317  ?   ?  0.000000 101.3170 
1 1 1  -11    8   17 o  1317.13   99.187   27.560   4.0607   27.560   4.0607   0.0000   0.0000  1317.13   99.187  ?   ?  0.000000 99.18729 
1 1 1  -11    8   19 o  1176.08  100.475   22.060   3.6646   22.060   3.6646   0.0000   0.0000  1176.08  100.475  ?   ?  0.000000 100.4751 
1 1 1  -11    8   21 o  1476.80  103.670   34.837   4.7635   34.837   4.7635   0.0000   0.0000  1476.80  103.670  ?   ?  0.000000 103.6695 
1 1 1  -11    8   23 o  1120.12  100.932   20.150   3.5020   20.150   3.5020   0.0000   0.0000  1120.12  100.932  ?   ?  0.000000 100.9319 
1 1 1  -11    8   25 o  1232.57   99.547   24.419   3.8092   24.419   3.8092   0.0000   0.0000  1232.57   99.547  ?   ?  0.000000 99.54694 
1 1 1  -11    8   27 o  2986.18  131.852  145.217   12.329  145.217   12.329   0.0000   0.0000  2986.18  131.852  ?   ?  0.000000 131.8519 
1 1 1  -11    8   29 o  816.473  152.538   11.378   3.7563   11.378   3.7563   0.0000   0.0000  816.473  152.538  ?   ?  0.000000 152.5376 
1 1 1  -11    8   31 o  1539.03  103.443   38.510   4.9560   38.889   7.0057   38.131   7.0121  1516.88  149.438  1500.54  151.305 16.33862 212.6615 
1 1 1  -11    8   33 o  2445.26  120.009   98.894   9.1887   96.948   13.013  100.830   12.977  2341.74  178.819  2395.22  174.218 -53.47632 249.6561 
1 1 1  -11    8   35 o  1698.81  107.677   47.598   5.6982   45.979   8.0998   49.184   8.0177  1619.38  161.908  1683.89  153.757 -64.50671 223.2832 
1 1 1  -11    8   37 o  1234.19  104.178   25.102   3.9884   23.317   5.6535   26.870   5.6274  1150.78  161.329  1247.75  146.844 -96.97461 218.1522 
1 1 1  -11    8   39 o  1500.37  106.113   37.108   4.9531   37.357   6.9879   36.857   7.0216  1465.45  154.619  1453.59  156.749 11.86731 220.1754 
1 1 1  -11    8   41 o  5001.76  211.659  474.909   33.149  470.488   46.895  479.325   46.866  4392.56  343.687  4458.20  338.246 -65.63818 482.2154 
1 1 1  -11    8   43 o  2526.40  124.831  108.529   9.8751  108.399   13.969  108.659   13.962  2406.15  186.873  2409.85  186.481 -3.699219 264.0010 
1 1 1  -11    8   45 o  1394.18  108.315   32.846   4.6914   35.221   6.6240   30.456   6.6453  1393.45  154.408  1276.89  170.463 116.5654 229.9994 
1 1 1  -11    8   47 o  1556.79   92.902   40.439   4.5081   35.695   5.5866   49.293   7.6325  1425.66  126.459  1641.32  150.175 -215.6595 196.3275 
1 1 1  -11    8   49 o  3932.57  137.432  284.675   16.923  288.514   20.775  277.105   29.175  3785.79  175.258  3086.81  305.868 698.9768 352.5205 
1 1 1  -11    8   51 o  1590.03   93.421   44.421   4.6308   45.443   5.7914   42.608   7.7109  1555.13  119.857  1361.73  185.683 193.3994 221.0064 
1 1 1  -11    8   53 o  905.281  103.938   15.713   2.8929   14.942   3.6969   16.929   4.6462  806.193  152.021  780.994  191.469 25.19940 244.4805 
1 1 1  -11    8   55 o  374.101  136.950   3.6932   2.0950   4.6416   2.7596   2.4032   3.2185  388.089  153.417  317.998  145.208 70.09116 211.2392 
1 1 1  -11    8   57 o  979.617  113.939   22.140   3.4297   21.329   4.3588   23.457   5.5572  790.061  180.186  630.154  224.041 159.9067 287.5092 
1 1 1  -11    8   59 o  2114.83  166.186  161.313   10.916  169.378   13.435  145.640   18.728  1396.75  314.724  ?   ?  0.000000 314.7235 
1 1 1  -11    8   61 o  991.682  133.317   31.980   4.0349   34.463   5.0465   27.580   6.7180  745.938  208.152  327.552  163.260 418.3861 264.5396 
1 1 1  -11    9    2 o  4644.28  138.750  341.488   20.178  320.838   24.718  382.731   34.932  4486.54  175.949  4870.29  229.064 -383.7476 288.8400 
1 1 1  -11    9    4 o  1209.24   79.041   23.074   2.9764   21.347   3.6607   26.442   5.1125  1159.80  101.831  1287.18  128.566 -127.3778 164.0084 
1 1 1  -11    9    6 o  1068.41   79.049   18.035   2.6258   18.204   3.2392   17.710   4.4841  1070.92   97.672  1048.53  140.081 22.38757 170.7703 
1 1 1  -11    9    8 o  2410.99   93.586   91.499   7.0651   92.589   8.6739   89.351   12.179  2422.10  114.368  2363.52  165.606 58.57617 201.2600 
1 1 1  -11    9   10 f  1261.58   79.421   25.119   3.1213   26.328   3.8581   22.829   5.3106  1289.33   96.258  1190.84  145.444 98.49048 174.4121 
1 1 1  -11    9   12 o  522.368   93.385   4.4268   1.4714   3.8431   1.8527   5.4236   2.4213  483.588  122.280  573.440  136.768 -89.85278 183.4609 
1 1 1  -11    9   14 o  1263.18   98.249   25.325   3.8555   24.322   5.4641   26.319   5.4410  1227.94  144.900  1279.67  137.971 -51.72473 200.0806 
1 1 1  -11    9   16 o  2092.16  156.545   70.506   10.181   70.506   10.181   0.0000   0.0000  2092.16  156.545  ?   ?  0.000000 156.5451 
1 1 1  -11    9   18 o  1389.57   99.341   30.728   4.2939   29.562   6.0685   31.898   6.0766  1350.22  145.852  1404.94  139.992 -54.72437 202.1647 
1 1 1  -11    9   20 o  1276.87   99.203   26.030   3.9352   25.872   5.5929   26.185   5.5379  1259.57  144.416  1268.11  141.899 -8.531616 202.4626 
1 1 1  -11    9   22 o  714.546  105.736   8.3098   2.2943   10.048   3.2999   6.6835   3.1921  777.297  140.764  627.958  161.446 149.3392 214.1947 
1 1 1  -11    9   24 o  1007.44  143.660   16.807   4.4035   0.0000   0.0000   16.807   4.4035  ?   ?   1007.44  143.660 0.000000 143.6596 
1 1 1  -11    9   26 o  1545.34  101.703   38.370   4.8937   34.947   6.8972   41.841   6.9446  1450.61  154.210  1596.03  140.388 -145.4237 208.5417 
1 1 1  -11    9   28 o  815.671  104.253   10.853   2.6018   9.6375   3.6475   12.113   3.7123  748.639  160.423  847.737  145.066 -99.09796 216.2868 
1 1 1  -11    9   30 o  1874.77  107.810   57.087   6.3022   55.621   8.9282   58.543   8.8971  1812.94  158.879  1864.57  153.760 -51.63440 221.0991 
1 1 1  -11    9   32 o  4749.85  190.389  399.047   28.316  401.038   40.064  397.060   40.028  4435.28  290.075  4407.62  291.675 27.65430 411.3613 
1 1 1  -11    9   34 o  1388.42  102.481   31.572   4.4238   26.862   6.2457   36.313   6.2669  1237.89  165.258  1463.92  138.355 -226.0388 215.5280 
1 1 1  -11    9   36 o  4203.60  171.420  308.340   22.563  314.688   31.951  302.026   31.867  3996.86  256.656  3896.72  262.708 100.1504 367.2707 
1 1 1  -11    9   38 o  287.380  117.923   0.5795   1.6980   0.5554   2.6507   0.5963   2.2112  342.039  144.367  319.368  133.131 22.67093 196.3816 
1 1 1  -11    9   40 o  3711.81  156.680  238.333   18.210  237.060   25.775  239.602   25.732  3491.37  237.176  3516.07  235.073 -24.70313 333.9336 
1 1 1  -11    9   42 o  2588.57  125.334  113.072   10.159  106.541   14.360  119.615   14.374  2392.84  193.306  2561.96  180.327 -169.1255 264.3580 
1 1 1  -11    9   44 o  4107.92  178.320  312.001   22.937  299.047   32.452  324.934   32.424  3592.24  291.006  3818.14  273.009 -225.8992 399.0219 
1 1 1  -11    9   46 o  2098.02  117.078   75.188   7.6607   70.065   10.813   80.349   10.855  1915.94  182.447  2080.11  168.087 -164.1732 248.0726 
1 1 1  -11    9   48 o  1782.08  113.635   55.053   6.3079   52.966   8.8660   57.192   8.9766  1644.75  174.831  1720.75  168.773 -75.99634 243.0020 
1 1 1  -11    9   50 o  1480.88  114.821   39.709   5.2826   41.162   7.4385   38.230   7.5035  1394.37  174.166  1319.52  186.827 74.85571 255.4175 
1 1 1  -11    9   52 o  959.745  124.959   18.371   3.6662   16.121   5.0859   20.804   5.2896  747.498  209.096  897.106  193.957 -149.6078 285.2028 
1 1 1  -11    9   54 o  395.512  149.048   4.1785   2.5145   4.5403   3.3732   3.7261   3.7723  387.116  163.097  362.283  162.051 24.83392 229.9154 
1 1 1  -11    9   56 o  2162.76  224.443  187.510   14.978  171.693   21.133  203.478   21.232  585.620  291.511  741.176  349.843 -155.5555 455.3774 
1 1 1  -11    9   58 o  698.993  168.290   16.647   3.6392   12.892   5.0005   20.875   5.3063  394.740  180.539  537.743  212.687 -143.0032 278.9802 
1 1 1  -11    9   60 o  1699.21  128.279   84.745   6.7749   86.165   8.3766   82.060   11.520  1273.56  217.888  422.322  211.010 851.2325 303.3155 
1 1 1  -11   10    1 o  1076.87  142.414   18.697   4.6843   18.697   4.6843   0.0000   0.0000  1076.87  142.414  ?   ?  0.000000 142.4136 
1 1 1  -11   10    3 o  3830.16  121.603  231.815   14.584  225.783   17.870  243.845   25.237  3770.47  151.360  3888.83  208.009 -118.3655 257.2502 
1 1 1  -11   10    5 o  1684.26  102.079   44.867   5.3580   47.263   7.5843   42.479   7.5706  1720.86  142.020  1628.97  150.110 91.88672 206.6465 
1 1 1  -11   10    7 o  933.692   97.840   13.882   2.8180   12.453   4.0028   15.286   3.9678  873.215  151.913  973.649  133.674 -100.4336 202.3514 
1 1 1  -11   10    9 o  1611.30  101.368   41.097   5.0883   38.229   7.1925   43.971   7.1994  1543.46  150.746  1658.94  139.901 -115.4875 205.6617 
1 1 1  -11   10   11 o  2685.13  120.868  114.139   10.162  110.516   14.394  117.740   14.349  2620.39  176.460  2707.59  170.116 -87.19165 245.1068 
1 1 1  -11   10   13 o  1017.26   97.687   16.482   3.0734   17.212   4.4317   15.806   4.2658  1030.58  141.034  986.567  142.194 44.01044 200.2741 
1 1 1  -11   10   15 o  2379.17  164.879   91.446   12.207   91.446   12.207   0.0000   0.0000  2379.17  164.879  ?   ?  0.000000 164.8793 
1 1 1  -11   10   17 o  812.085  102.801   10.615   2.5555   10.528   3.6681   10.697   3.5624  796.610  152.610  804.626  146.802 -8.015625 211.7559 
1 1 1  -11   10   19 o  622.957  109.590   6.3511   2.0596   5.8176   2.9041   6.8909   2.9215  589.083  155.253  641.343  148.418 -52.25934 214.7823 
1 1 1  -11   10   21 o  2460.03  116.731   96.833   8.9917   99.752   12.733   93.929   12.699  2465.10  165.928  2388.40  170.936 76.69800 238.2254 
1 1 1  -11   10   23 o  1294.64  143.922   27.505   5.7356   0.0000   0.0000   27.505   5.7356  ?   ?   1294.64  143.922 0.000000 143.9217 
1 1 1  -11   10   25 o  1992.97  108.738   63.826   6.7601   68.487   9.5917   59.226   9.5290  2040.68  151.184  1889.90  162.608 150.7758 222.0316 
1 1 1  -11   10   27 o  1237.68  102.148   24.711   3.9234   23.787   5.5961   25.605   5.5021  1192.66  153.404  1242.45  144.101 -49.79675 210.4711 
1 1 1  -11   10   29 o  1181.29   99.717   22.589   3.6540   22.178   5.1582   23.004   5.1769  1149.11  146.704  1171.92  144.113 -22.80933 205.6468 
1 1 1  -11   10   31 o  1933.80  109.466   61.012   6.6012   60.079   9.3397   61.943   9.3312  1876.31  160.514  1908.16  157.584 -31.84912 224.9386 
1 1 1  -11   10   33 o  493.879  124.589   4.1781   1.9266   4.7625   2.6551   3.5282   2.7997  523.327  152.620  465.350  159.472 57.97687 220.7354 
1 1 1  -11   10   35 o  1186.39  104.878   23.044   3.8560   23.127   5.5580   22.966   5.3540  1158.34  157.306  1158.14  151.252 0.1959229 218.2255 
1 1 1  -11   10   37 o  841.104  113.197   11.753   2.9056   9.3231   4.2433   13.898   3.9868  715.420  187.243  899.642  146.575 -184.2217 237.7900 
1 1 1  -11   10   39 o  1787.04  109.958   52.487   6.1230   46.087   8.6947   58.783   8.6242  1617.76  174.400  1854.94  149.758 -237.1875 229.8754 
1 1 1  -11   10   41 o  1726.20  109.794   49.308   5.9037   44.978   8.3779   53.580   8.3206  1589.40  171.032  1756.66  152.790 -167.2640 229.3399 
1 1 1  -11   10   43 o  1382.78  105.788   31.789   4.5457   28.292   6.3694   35.418   6.4894  1252.63  166.517  1421.98  147.910 -169.3489 222.7224 
1 1 1  -11   10   45 o  1638.03  108.280   44.994   5.5224   39.545   7.7578   50.593   7.8631  1463.82  172.568  1687.00  150.433 -223.1780 228.9315 
1 1 1  -11   10   47 o  1664.41  110.905   47.281   5.7469   44.710   8.0495   49.953   8.2075  1536.58  170.157  1637.11  162.246 -100.5297 235.1112 
1 1 1  -11   10   49 o  2744.20  140.299  141.032   12.015  135.976   16.967  146.118   17.017  2392.82  229.260  2522.20  217.602 -129.3774 316.0872 
1 1 1  -11   10   51 f  775.095  133.135   11.956   3.1148   8.5107   4.2516   15.948   4.5762  558.038  196.219  822.856  182.398 -264.8182 267.9014 
1 1 1  -11   10   53 o  1941.50  133.966   80.852   8.0944   71.566   11.377   90.368   11.518  1335.40  280.992  1713.44  219.745 -378.0415 356.7134 
1 1 1  -11   10   55 o  1201.51  320.428   89.001   12.277   89.001   12.277   0.0000   0.0000  1201.51  320.428  ?   ?  0.000000 320.4279 
1 1 1  -11   10   57 o  389.064  150.570   5.3366   2.6117   4.1441   3.4897   6.8550   3.9378  324.163  149.198  367.733  164.951 -43.56964 222.4161 
1 1 1  -11   10   59 o  337.870  145.143   5.3385   2.7624   5.5010   3.7312   5.1415   4.1095  304.840  144.705  292.525  142.120 12.31567 202.8240 
1 1 1  -11   11    2 o  3504.30  140.187  195.017   15.382  193.475   21.751  196.559   21.757  3459.04  201.698  3487.47  200.073 -28.43652 284.0974 
1 1 1  -11   11    4 o  2358.59  113.676   87.912   8.3953   93.723   11.874   82.104   11.871  2420.11  157.553  2260.79  168.916 159.3247 230.9886 
1 1 1  -11   11    6 o  2178.32  158.332   76.048   10.726   0.0000   0.0000   76.048   10.726  ?   ?   2178.32  158.332 0.000000 158.3324 
1 1 1  -11   11    8 o  1668.80  102.233   44.119   5.3164   41.244   7.4979   47.025   7.5392  1602.04  151.259  1714.07  141.740 -112.0334 207.2912 
1 1 1  -11   11   10 o  957.237   99.122   14.616   2.9280   14.759   4.2198   14.483   4.0660  951.927  146.249  943.844  141.975 8.082825 203.8277 
1 1 1  -11   11   12 o  674.799  155.458   7.5726   3.2171   7.5726   3.2171   0.0000   0.0000  674.799  155.458  ?   ?  0.000000 155.4585 
1 1 1  -11   11   14 o  1364.31   99.116   29.597   4.2053   30.749   6.0141   28.496   5.8824  1380.09  141.158  1327.27  143.842 52.81665 201.5338 
1 1 1  -11   11   16 o  1776.19  104.119   50.208   5.7654   51.419   8.2080   49.029   8.1002  1782.87  148.376  1740.02  150.140 42.85022 211.0861 
1 1 1  -11   11   18 o  1661.05  100.041   43.944   5.1790   51.712   7.3930   36.458   7.2574  1791.22  132.757  1493.23  157.595 297.9806 206.0598 
1 1 1  -11   11   20 o  838.003  104.855   11.344   2.6912   10.329   3.8159   12.347   3.7959  783.826  160.867  863.495  145.568 -79.66962 216.9523 
1 1 1  -11   11   22 o  736.532  155.652   9.1385   3.4774   0.0000   0.0000   9.1385   3.4774  ?   ?   736.532  155.652 0.000000 155.6519 
1 1 1  -11   11   24 o  898.601  103.246   13.051   2.8523   14.790   4.1367   11.476   3.9382  944.178  144.521  824.908  158.221 119.2693 214.2896 
1 1 1  -11   11   26 o  1406.86  102.665   31.845   4.4914   31.629   6.3950   32.054   6.3094  1381.32  150.278  1392.32  146.941 -10.99854 210.1786 
1 1 1  -11   11   28 o  2588.30  121.310  108.851   9.8317  111.863   13.908  105.842   13.900  2570.57  173.814  2494.41  179.156 76.16577 249.6159 
1 1 1  -11   11   30 o  1650.76  105.415   44.236   5.4204   46.928   7.7026   41.594   7.6292  1671.80  148.694  1566.81  157.645 104.9851 216.7071 
1 1 1  -11   11   32 o  1892.36  108.794   58.337   6.4194   55.127   9.0700   61.558   9.0869  1796.82  162.980  1908.25  153.373 -111.4248 223.7984 
1 1 1  -11   11   34 f  525.594  130.987   4.7264   2.1480   7.6872   3.2025   2.3051   2.8961  663.671  156.627  418.896  159.451 244.7747 223.5096 
1 1 1  -11   11   36 o  892.818  110.997   13.138   3.0361   13.258   4.4251   13.032   4.1734  870.461  168.441  867.330  159.547 3.130859 232.0080 
1 1 1  -11   11   38 o  468.657  138.986   3.7437   2.1860   5.5017   3.2050   2.2145   2.9892  559.877  168.806  417.124  161.180 142.7529 233.3979 
1 1 1  -11   11   40 o  1506.85  107.405   37.331   5.0346   35.066   7.1522   39.556   7.0881  1416.42  164.313  1516.85  151.252 -100.4257 223.3292 
1 1 1  -11   11   42 f  2061.64  114.926   70.696   7.3895   70.699   10.470   70.693   10.431  1995.32  169.176  1996.24  168.443 -0.9149170 238.7331 
1 1 1  -11   11   44 o  1025.69  111.655   17.681   3.5281   16.210   5.0121   19.126   4.9671  935.614  177.578  1033.59  158.533 -97.97437 238.0480 
1 1 1  -11   11   46 o  1268.21  107.223   27.117   4.2180   18.968   5.8984   35.645   6.0343  978.364  199.306  1424.26  136.997 -445.8973 241.8494 
1 1 1  -11   11   48 f  1778.31  113.318   55.080   6.2771   50.330   8.8087   59.980   8.9471  1583.30  180.926  1762.84  163.968 -179.5471 244.1715 
1 1 1  -11   11   50 o  908.500  122.345   15.479   3.3919   15.382   4.7043   15.584   4.8951  818.604  187.551  812.237  194.949 6.366638 270.5190 
1 1 1  -11   11   52 o  2009.56  130.514   82.397   8.1680   73.486   11.455   91.615   11.650  1502.31  252.463  1830.92  206.839 -328.6005 326.3740 
1 1 1  -11   11   54 o  451.358  178.001   6.8873   3.7066   6.8873   3.7066   0.0000   0.0000  451.358  178.001  ?   ?  0.000000 178.0014 
1 1 1  -11   11   56 o  288.729  129.338   1.6964   2.4124   1.9191   3.1657   1.3880   3.7255  299.329  139.270  294.523  141.123 4.805267 198.2727 
1 1 1  -11   11   58 o  328.719  141.311   4.0560   2.6218   1.2211   3.3743   8.3744   4.1646  265.322  128.875  368.638  167.104 -103.3165 211.0271 
1 1 1  -11   11   60 o  359.257  172.773   18.063   5.7012   0.0000   0.0000   18.063   5.7012  ?   ?   359.257  172.773 0.000000 172.7732 
1 1 1  -11   12    1 o  550.666  130.852   5.0078   2.2229   2.1341   3.3768   7.2055   2.9531  444.367  171.422  659.759  146.737 -215.3924 225.6488 
1 1 1  -11   12    3 o  354.431  119.500   1.8598   1.5719   1.9080   2.1424   1.8035   2.3134  381.366  138.661  384.299  143.325 -2.933228 199.4211 
1 1 1  -11   12    5 o  2348.26  113.600   87.291   8.3530   81.997   11.802   92.605   11.824  2255.41  168.327  2401.51  158.123 -146.1082 230.9475 
1 1 1  -11   12    7 o  432.380  119.548   3.0539   1.6728   0.0626   2.3592   6.0781   2.3721  318.623  135.426  607.479  128.709 -288.8565 186.8318 
1 1 1  -11   12    9 o  1875.27  105.458   55.802   6.1673   60.904   8.7453   50.754   8.6986  1948.33  144.377  1773.20  158.332 175.1212 214.2746 
1 1 1  -11   12   11 o  534.886  115.478   4.7103   1.8774   4.6764   2.6160   4.7463   2.6961  533.100  150.257  537.317  152.923 -4.216980 214.3886 
1 1 1  -11   12   13 o  506.467  155.413   4.1393   2.7002   4.1393   2.7002   0.0000   0.0000  506.467  155.413  ?   ?  0.000000 155.4125 
1 1 1  -11   12   15 o  1018.30   99.574   16.581   3.1344   18.865   4.4421   14.317   4.4232  1078.10  134.514  930.656  157.399 147.4443 207.0472 
1 1 1  -11   12   17 o  1015.82  101.009   16.528   3.1703   15.541   4.5418   17.467   4.4272  970.167  154.705  1034.15  140.346 -63.97803 208.8793 
1 1 1  -11   12   19 f  901.814  101.092   13.072   2.8055   16.074   4.0513   10.306   3.8888  992.447  133.778  783.024  163.870 209.4227 211.5417 
1 1 1  -11   12   21 o  1678.55  149.280   45.964   7.7642   0.0000   0.0000   45.964   7.7642  ?   ?   1678.55  149.280 0.000000 149.2798 
1 1 1  -11   12   23 o  1351.55  100.378   29.255   4.2177   33.060   6.0154   25.575   5.9153  1424.19  136.564  1243.73  155.274 180.4546 206.7845 
1 1 1  -11   12   25 o  465.891  127.584   3.6234   1.9159   2.3341   2.7336   4.8682   2.6860  419.705  155.943  537.500  152.520 -117.7950 218.1299 
1 1 1  -11   12   27 o  768.225  111.467   9.6928   2.6030   10.238   3.7396   9.1804   3.6256  772.965  159.788  730.095  162.745 42.86963 228.0748 
1 1 1  -11   12   29 o  1740.32  105.364   48.998   5.7146   57.221   8.1318   40.976   8.0325  1858.27  140.799  1552.91  167.863 305.3569 219.0941 
1 1 1  -11   12   31 o  1553.41  105.075   39.110   5.0809   39.413   7.2126   38.810   7.1587  1531.42  152.436  1519.54  152.511 11.88013 215.6305 
1 1 1  -11   12   33 o  1449.61  104.506   34.043   4.7118   35.202   6.7048   32.911   6.6230  1449.21  149.921  1398.48  153.785 50.72949 214.7698 
1 1 1  -11   12   35 o  2136.30  114.186   74.254   7.6105   64.634   10.780   83.811   10.746  1939.90  179.511  2235.75  154.440 -295.8568 236.8031 
1 1 1  -11   12   37 o  3055.59  134.792  154.332   12.897  147.657   18.268  160.964   18.209  2888.71  203.262  3034.06  192.666 -145.3545 280.0637 
1 1 1  -11   12   39 o  2302.94  118.734   87.352   8.5329   75.674   12.079   98.984   12.055  2067.20  188.691  2402.89  161.159 -335.6895 248.1457 
1 1 1  -11   12   41 o  1070.13  110.435   18.973   3.6473   20.312   5.2038   17.680   5.1136  1077.71  158.980  997.169  169.861 80.54138 232.6529 
1 1 1  -11   12   43 o  2745.20  129.522  126.921   11.134  112.550   15.752  141.267   15.739  2450.24  207.251  2801.83  180.353 -351.5881 274.7366 
1 1 1  -11   12   45 o  2301.29  122.130   89.820   8.7691   74.975   12.420  104.578   12.383  1972.90  203.988  2408.84  165.171 -435.9448 262.4744 
1 1 1  -11   12   47 o  1303.99  112.804   29.281   4.5605   26.181   6.3845   32.512   6.5167  1153.84  182.804  1315.15  161.649 -161.3110 244.0238 
1 1 1  -11   12   49 o  2464.05  129.669  112.652   9.9695   93.669   13.990  132.237   14.210  1935.78  235.675  2482.60  184.111 -546.8213 299.0642 
1 1 1  -11   12   51 o  822.636  131.182   13.467   3.2656   11.412   4.3766   16.048   4.9049  653.705  197.297  790.451  198.459 -136.7459 279.8432 
1 1 1  -11   12   53 o  1104.48  209.066   35.399   6.9656   35.399   6.9656   0.0000   0.0000  1104.48  209.066  ?   ?  0.000000 209.0659 
1 1 1  -11   12   55 o  583.752  161.640   9.3942   3.0556   9.0591   3.9964   9.8657   4.7408  484.889  186.645  463.889  194.287 20.99997 269.4136 
1 1 1  -11   12   57 o  432.587  161.089   6.7747   2.9202   5.6450   3.7052   8.6268   4.7442  358.398  160.437  382.754  175.348 -24.35590 237.6702 
1 1 1  -11   12   59 o  520.416  246.861   68.389   10.822   0.0000   0.0000   68.389   10.822  ?   ?   520.416  246.861 0.000000 246.8610 
1 1 1  -11   13    2 o  1056.69  106.211   17.841   3.4667   17.240   5.1261   18.347   4.7060  1024.15  165.491  1062.69  145.228 -38.54919 220.1783 
1 1 1  -11   13    4 o  1490.29  146.042   35.793   6.7274   0.0000   0.0000   35.793   6.7274  ?   ?   1490.29  146.042 0.000000 146.0423 
1 1 1  -11   13    6 o  3366.48  132.528  180.449   13.970  211.868   19.836  149.529   19.678  3625.51  174.732  3020.74  209.335 604.7712 272.6761 
1 1 1  -11   13    8 o  2488.95  117.337   98.326   9.1447  101.647   12.980   95.053   12.886  2508.51  166.188  2423.30  170.916 85.21533 238.3917 
1 1 1  -11   13   10 o  1002.74  101.915   16.072   3.1555   16.145   4.4513   15.999   4.4738  994.174  147.460  989.180  149.068 4.994446 209.6799 
1 1 1  -11   13   12 o  2003.98  155.372   64.914   9.6733   64.914   9.6733   0.0000   0.0000  2003.98  155.372  ?   ?  0.000000 155.3721 
1 1 1  -11   13   14 f  881.997  148.775   12.810   3.9626   12.810   3.9626   0.0000   0.0000  881.997  148.775  ?   ?  0.000000 148.7755 
1 1 1  -11   13   16 o  852.372  105.599   11.701   2.7581   10.782   3.9191   12.602   3.8822  803.688  161.341  874.534  146.984 -70.84521 218.2548 
1 1 1  -11   13   18 o  1840.77  105.775   54.015   6.0711   57.135   8.6252   50.952   8.5471  1877.67  147.899  1769.22  155.876 108.4404 214.8752 
1 1 1  -11   13   22 o  938.182  103.743   14.188   2.9966   15.091   4.2765   13.316   4.2002  954.628  147.847  892.906  155.900 61.72174 214.8571 
1 1 1  -11   13   24 o  2040.12  110.117   66.867   7.0083   69.075   9.9384   64.684   9.8844  2047.67  156.180  1978.15  160.974 69.52515 224.2877 
1 1 1  -11   13   26 o  1754.09  105.571   49.528   5.7714   57.995   8.2092   41.253   8.1157  1879.30  140.521  1567.62  167.950 311.6736 218.9830 
1 1 1  -11   13   28 o  1086.39  105.979   19.142   3.5592   22.490   5.0431   15.819   5.0239  1163.61  141.312  959.045  173.692 204.5673 223.9149 
1 1 1  -11   13   30 o  1461.52  104.797   34.497   4.7641   36.549   6.7084   32.408   6.7667  1483.68  146.303  1389.67  158.333 94.00586 215.5783 
1 1 1  -11   13   32 o  776.252  114.388   9.9150   2.6970   10.040   3.8323   9.7925   3.7963  763.404  165.123  753.649  165.408 9.755371 233.7208 
1 1 1  -11   13   34 o  2694.42  124.587  118.041   10.511  113.932   14.890  122.124   14.841  2584.86  185.191  2685.36  177.496 -100.5022 256.5161 
1 1 1  -11   13   36 o  605.805  133.308   6.2370   2.4601   12.436   3.4957   0.1537   3.4628  861.714  133.902  376.638  162.162 485.0755 210.3005 
1 1 1  -11   13   38 o  635.282  133.985   6.8922   2.5814   1.4743   3.6668   12.216   3.6347  420.526  173.010  847.614  141.967 -427.0876 223.8008 
1 1 1  -11   13   40 o  2420.99  120.547   96.492   9.1383   97.432   12.943   95.557   12.904  2363.56  176.151  2338.76  177.531 24.80859 250.0933 
1 1 1  -11   13   42 o  2758.24  128.609  126.946   11.108  110.568   15.693  143.387   15.724  2453.69  206.169  2850.30  177.052 -396.6096 271.7592 
1 1 1  -11   13   44 o  1410.42  111.836   33.176   4.8986   32.427   6.9101   33.933   6.9455  1345.28  167.681  1380.14  163.923 -34.85559 234.4945 
1 1 1  -11   13   46 o  319.590  134.209   0.7187   2.2720   2.2226   3.1866  -0.8363   3.2403  407.379  163.591  325.336  147.443 82.04388 220.2308 
1 1 1  -11   13   48 o  1374.23  114.542   33.390   4.8839   30.364   6.8418   36.534   6.9738  1204.70  187.471  1354.30  168.063 -149.5957 251.7745 
1 1 1  -11   13   50 o  1256.51  118.127   29.402   4.5930   24.689   6.3140   34.699   6.6937  1000.22  208.364  1257.02  174.793 -256.7980 271.9705 
1 1 1  -11   13   52 o  210.376  102.618  -2.7531   2.2025  -2.7531   2.2025   0.0000   0.0000  210.376  102.618  ?   ?  0.000000 102.6180 
1 1 1  -11   13   54 f  1348.17  130.731   39.393   5.4494   40.264   7.4898   38.414   7.9434  1113.59  222.579  984.616  255.456 128.9720 338.8197 
1 1 1  -11   13   56 f  1645.55  143.467   67.285   7.3184   62.463   10.156   72.493   10.555  983.885  301.324  1147.10  292.846 -163.2202 420.1844 
1 1 1  -11   13   58 o  1068.44  167.012   35.680   5.4046   41.450   7.2775   28.585   8.0703  805.684  256.330  448.091  212.737 357.5923 333.1101 
1 1 1  -11   14    1 o  1065.51  143.490   18.433   4.6656   0.0000   0.0000   18.433   4.6656  ?   ?   1065.51  143.490 0.000000 143.4899 
1 1 1  -11   14    5 o  2453.79  168.487   97.292   12.867   0.0000   0.0000   97.292   12.867  ?   ?   2453.79  168.487 0.000000 168.4873 
1 1 1  -11   14    7 o  1057.22  150.173   18.220   4.8316   0.0000   0.0000   18.220   4.8316  ?   ?   1057.22  150.173 0.000000 150.1731 
1 1 1  -11   14    9 o  1243.22  102.215   24.615   3.9438   30.694   5.6913   19.000   5.4701  1381.71  133.197  1074.54  168.082 307.1683 214.4594 
1 1 1  -11   14   13 o  577.719  180.176   5.4053   3.6126   5.4053   3.6126   0.0000   0.0000  577.719  180.176  ?   ?  0.000000 180.1760 
1 1 1  -11   14   15 o  1562.95  102.873   38.884   5.0065   45.318   7.2225   32.934   6.9460  1677.02  138.789  1421.34  158.784 255.6870 210.8902 
1 1 1  -11   14   17 o  943.851  105.644   14.315   3.0687   12.343   4.3811   16.214   4.2996  858.746  168.948  995.714  141.920 -136.9680 220.6461 
1 1 1  -11   14   21 o  2245.75  164.610   82.763   11.495   82.763   11.495   0.0000   0.0000  2245.75  164.610  ?   ?  0.000000 164.6096 
1 1 1  -11   14   23 o  1474.75  103.181   34.874   4.7347   38.011   6.7240   31.788   6.6680  1524.12  142.549  1386.64  156.298 137.4797 211.5403 
1 1 1  -11   14   25 o  884.238  158.794   13.194   4.2350   13.194   4.2350   0.0000   0.0000  884.238  158.794  ?   ?  0.000000 158.7940 
1 1 1  -11   14   27 o  1584.15  105.696   40.378   5.2128   39.477   7.3329   41.299   7.4118  1543.49  153.770  1580.18  151.660 -36.68127 215.9767 
1 1 1  -11   14   29 o  976.124  111.838   15.488   3.3566   16.936   4.6915   13.970   4.8045  1005.74  153.866  902.729  176.296 103.0108 233.9980 
1 1 1  -11   14   31 o  2430.27  118.378   95.161   9.0083   91.532   12.737   98.793   12.742  2339.21  175.163  2436.76  168.029 -97.55493 242.7260 
1 1 1  -11   14   33 o  2144.61  113.878   74.244   7.6199   75.147   10.779   73.342   10.774  2124.49  163.278  2097.07  165.415 27.42310 232.4260 
1 1 1  -11   14   35 o  2736.63  125.479  121.756   10.752  112.162   15.184  131.406   15.228  2560.06  190.788  2790.23  175.189 -230.1670 259.0191 
1 1 1  -11   14   37 o  1041.62  110.859   17.741   3.5602   17.330   5.0251   18.156   5.0447  1004.33  165.560  1030.45  161.667 -26.12415 231.4010 
1 1 1  -11   14   39 o  3597.59  149.935  216.852   16.890  203.095   23.886  230.610   23.886  3332.06  230.354  3587.12  213.624 -255.0669 314.1625 
1 1 1  -11   14   41 o  1871.75  111.720   57.418   6.5179   51.781   9.1829   63.141   9.2531  1725.42  172.271  1924.51  154.860 -199.0946 231.6440 
1 1 1  -11   14   43 o  492.069  152.606   4.2207   2.5957   6.1226   3.4891   1.8636   3.8844  580.823  176.355  432.627  178.039 148.1960 250.5973 
1 1 1  -11   14   45 o  1271.33  113.819   27.358   4.4830   22.079   6.2247   33.047   6.4618  1071.04  192.692  1356.93  154.856 -285.8904 247.2053 
1 1 1  -11   14   47 o  833.821  136.960   12.758   3.4517   8.8151   4.7461   17.186   5.0290  626.552  207.591  923.562  180.370 -297.0104 275.0043 
1 1 1  -11   14   49 o  812.724  138.464   12.755   3.3974   6.5920   4.5642   20.412   5.0876  519.287  199.571  985.667  171.044 -466.3793 262.8394 
1 1 1  -11   14   51 o  935.838  207.776   22.713   5.9298   22.713   5.9298   0.0000   0.0000  935.838  207.776  ?   ?  0.000000 207.7756 
1 1 1  -11   14   53 o  912.756  143.888   18.247   3.9762   18.521   5.1865   17.857   6.1928  793.043  206.742  667.858  236.606 125.1855 314.2050 
1 1 1  -11   14   55 o  1742.47  136.182   69.160   7.3711   61.070   10.157   78.161   10.714  1124.56  287.385  1433.40  247.654 -308.8407 379.3718 
1 1 1  -11   14   57 o  821.625  166.117   19.581   4.1268   19.118   5.3057   20.290   6.5660  608.977  218.656  502.779  219.804 106.1981 310.0392 
1 1 1  -11   15    2 o  1181.26  102.497   22.222   3.7536   25.359   5.5861   19.640   5.0684  1252.50  145.122  1098.66  151.346 153.8370 209.6806 
1 1 1  -11   15    4 o  869.994  177.353   12.612   4.6675   12.612   4.6675   0.0000   0.0000  869.994  177.353  ?   ?  0.000000 177.3529 
1 1 1  -11   15    6 o  678.462  127.357   7.5471   2.6062   5.7118   3.8532   9.0947   3.5384  595.279  186.149  740.070  157.528 -144.7908 243.8579 
1 1 1  -11   15    8 o  1276.77  148.997   26.404   5.8447   0.0000   0.0000   26.404   5.8447  ?   ?   1276.77  148.997 0.000000 148.9966 
1 1 1  -11   15   10 o  1199.86  149.747   23.383   5.5036   0.0000   0.0000   23.383   5.5036  ?   ?   1199.86  149.747 0.000000 149.7466 
1 1 1  -11   15   14 o  2067.78  158.781   69.235   10.202   0.0000   0.0000   69.235   10.202  ?   ?   2067.78  158.781 0.000000 158.7810 
1 1 1  -11   15   16 o  1548.24  103.724   38.193   4.9994   43.098   7.1944   33.613   6.9522  1633.08  142.108  1435.63  157.226 197.4490 211.9314 
1 1 1  -11   15   18 o  1528.51  105.121   37.303   5.0007   38.468   7.1669   36.198   6.9808  1536.87  150.874  1490.09  151.732 46.78198 213.9757 
1 1 1  -11   15   20 o  723.727  175.894   8.9151   3.9471   8.9151   3.9471   0.0000   0.0000  723.727  175.894  ?   ?  0.000000 175.8943 
1 1 1  -11   15   22 o  1501.35  153.725   37.031   7.1249   37.031   7.1249   0.0000   0.0000  1501.35  153.725  ?   ?  0.000000 153.7251 
1 1 1  -11   15   24 o  732.650  124.408   8.8541   2.7520   9.3525   3.7557   8.2762   4.0440  741.515  165.901  694.032  183.347 47.48224 247.2638 
1 1 1  -11   15   26 o  1358.97  106.787   29.673   4.5075   34.692   6.3442   24.557   6.4053  1456.90  140.824  1209.74  174.112 247.1615 223.9340 
1 1 1  -11   15   28 o  1464.09  107.003   34.406   4.8715   34.104   6.8616   34.713   6.9175  1438.70  154.746  1451.70  154.555 -12.99695 218.7089 
1 1 1  -11   15   30 f  815.900  175.462   11.370   4.3495   11.370   4.3495   0.0000   0.0000  815.900  175.462  ?   ?  0.000000 175.4625 
1 1 1  -11   15   32 o  627.827  138.314   6.6311   2.6457   1.8123   3.6847   11.759   3.8011  439.346  176.095  837.267  150.520 -397.9215 231.6584 
1 1 1  -11   15   34 f  1357.07  108.240   29.739   4.5612   28.259   6.3821   31.285   6.5212  1299.61  160.224  1371.14  154.587 -71.51978 222.6409 
1 1 1  -11   15   36 o  1304.57  110.229   27.614   4.4606   29.814   6.2325   25.305   6.3869  1335.72  151.707  1218.54  172.186 117.1758 229.4848 
1 1 1  -11   15   38 o  2070.17  114.601   69.692   7.3997   71.545   10.444   67.825   10.486  2058.86  163.345  1999.24  169.085 59.61487 235.0986 
1 1 1  -11   15   40 o  314.269  132.980   0.3080   2.2581  -1.1004   3.0375   2.0479   3.3762  320.885  144.330  427.593  169.484 -106.7077 222.6119 
1 1 1  -11   15   42 o  2332.16  121.123   90.056   8.8146   84.552   12.440   95.607   12.492  2184.57  183.557  2340.46  171.653 -155.8894 251.3123 
1 1 1  -11   15   44 o  2247.68  121.215   85.272   8.4996   73.770   11.981   96.925   12.060  1979.61  195.858  2323.45  166.872 -343.8441 257.3065 
1 1 1  -11   15   46 o  1745.59  178.754   59.115   9.6327   59.115   9.6327   0.0000   0.0000  1745.59  178.754  ?   ?  0.000000 178.7539 
1 1 1  -11   15   48 o  898.121  139.027   15.223   3.7835   18.901   5.2056   11.105   5.5085  948.250  181.936  658.247  223.697 290.0030 288.3418 
1 1 1  -11   15   50 o  1054.23  133.122   21.519   4.2965   21.396   5.8543   21.663   6.3252  936.253  205.344  905.176  224.305 31.07733 304.1040 
1 1 1  -11   15   52 o  860.832  153.805   16.192   3.9936   18.715   5.3643   13.056   5.9818  824.839  207.793  592.625  228.283 232.2136 308.6931 
1 1 1  -11   15   54 o  2084.05  143.328   97.370   9.2962   83.105   12.912  112.721   13.395  1289.52  321.030  1813.63  241.901 -524.1127 401.9660 
1 1 1  -11   15   56 o  1024.00  158.111   27.193   4.9064   28.114   6.4067   25.888   7.6297  808.652  237.432  588.482  246.472 220.1698 342.2316 
1 1 1  -11   16    1 o  1426.01  110.342   32.388   4.8886   29.284   6.8090   35.691   7.0230  1341.03  165.678  1486.15  153.110 -145.1154 225.5919 
1 1 1  -11   16    3 o  854.832  128.600   11.864   3.3356   11.612   4.5918   12.146   4.8536  833.252  181.156  851.245  187.188 -17.99377 260.4934 
1 1 1  -11   16    5 o  2171.50  107.742   74.639   7.3259   92.291   10.517   57.998   10.211  2401.68  140.458  1890.27  174.481 511.4146 223.9914 
1 1 1  -11   16    7 o  1567.37  148.195   39.605   7.1868   0.0000   0.0000   39.605   7.1868  ?   ?   1567.37  148.195 0.000000 148.1945 
1 1 1  -11   16    9 f  1405.24  104.026   31.417   4.5447   40.100   6.6759   23.918   6.2044  1580.20  136.253  1208.26  168.585 371.9414 216.7624 
1 1 1  -11   16   11 o  1918.85  161.542   59.618   9.6158   59.618   9.6158   0.0000   0.0000  1918.85  161.542  ?   ?  0.000000 161.5422 
1 1 1  -11   16   13 o  1730.33  153.305   48.465   8.2202   0.0000   0.0000   48.465   8.2202  ?   ?   1730.33  153.305 0.000000 153.3052 
1 1 1  -11   16   15 o  1074.55  156.477   18.972   5.1104   0.0000   0.0000   18.972   5.1104  ?   ?   1074.55  156.477 0.000000 156.4773 
1 1 1  -11   16   17 o  323.499  137.107   0.1575   2.4067   0.0000   0.0000   0.1575   2.4067  ?   ?   323.499  137.107 0.000000 137.1074 
1 1 1  -11   16   21 o  1067.11  154.358   18.798   5.0078   0.0000   0.0000   18.798   5.0078  ?   ?   1067.11  154.358 0.000000 154.3583 
1 1 1  -11   16   23 o  960.425  175.096   15.516   5.0717   0.0000   0.0000   15.516   5.0717  ?   ?   960.425  175.096 0.000000 175.0961 
1 1 1  -11   16   25 f  957.696  169.433   15.359   4.8950   15.359   4.8950   0.0000   0.0000  957.696  169.433  ?   ?  0.000000 169.4330 
1 1 1  -11   16   27 o  836.562  127.081   11.456   3.2241   13.560   4.5047   9.2456   4.6166  899.564  166.042  734.492  196.770 165.0719 257.4656 
1 1 1  -11   16   29 o  1264.45  113.295   25.727   4.4381   27.461   6.2975   24.015   6.2556  1290.41  159.234  1200.85  171.212 89.56360 233.8143 
1 1 1  -11   16   31 o  1767.41  162.304   51.481   8.8819   51.481   8.8819   0.0000   0.0000  1767.41  162.304  ?   ?  0.000000 162.3037 
1 1 1  -11   16   33 o  3078.83  195.940  159.881   18.791  159.881   18.791   0.0000   0.0000  3078.83  195.940  ?   ?  0.000000 195.9396 
1 1 1  -11   16   35 o  3156.11  136.095  162.171   13.450  156.463   18.997  167.908   19.044  3026.62  201.606  3144.89  194.347 -118.2678 280.0286 
1 1 1  -11   16   37 o  834.714  129.598   11.577   3.2775   12.848   4.5222   10.170   4.7567  862.590  173.441  757.313  198.266 105.2765 263.4215 
1 1 1  -11   16   39 o  3366.78  142.195  187.194   14.990  168.537   21.156  206.009   21.244  3078.71  220.920  3445.46  197.741 -366.7502 296.4918 
1 1 1  -11   16   41 o  2049.20  116.372   68.932   7.4363   62.307   10.380   75.918   10.659  1891.52  177.320  2105.23  162.961 -213.7097 240.8292 
1 1 1  -11   16   43 o  2210.98  121.051   81.935   8.3487   78.396   11.650   85.671   11.970  2081.22  180.559  2182.13  176.702 -100.9131 252.6367 
1 1 1  -11   16   45 o  772.590  150.692   10.960   3.5146   8.8664   4.7803   13.424   5.1851  651.097  207.811  807.837  204.723 -156.7396 291.7138 
1 1 1  -11   16   47 o  682.295  165.801   9.3073   3.5074   9.2335   4.6603   9.4038   5.3268  638.140  205.345  627.501  219.691 10.63928 300.7170 
1 1 1  -11   16   49 o  441.874  164.979   3.9745   3.0669   6.1507   3.8715   0.3081   5.0251  516.737  186.626  384.004  177.555 132.7335 257.5944 
1 1 1  -11   16   51 o  990.019  143.704   19.942   4.3247   15.155   5.7691   26.083   6.5340  706.277  228.599  1001.95  214.724 -295.6768 313.6300 
1 1 1  -11   16   53 o  1165.34  223.334   39.725   7.8527   39.725   7.8527   0.0000   0.0000  1165.34  223.334  ?   ?  0.000000 223.3340 
1 1 1  -11   16   55 o  590.714  187.287   10.916   3.8877   12.007   4.8794   9.0188   6.4331  545.883  207.166  423.899  197.665 121.9839 286.3373 
1 1 1  -11   17    2 o  1661.79  158.595   44.666   8.1523   44.666   8.1523   0.0000   0.0000  1661.79  158.595  ?   ?  0.000000 158.5952 
1 1 1  -11   17    6 o  1864.59  115.133   55.350   6.6892   68.097   9.3753   42.132   9.5468  2058.89  146.378  1600.27  194.525 458.6198 243.4469 
1 1 1  -11   17    8 o  1483.34  160.524   35.732   7.3369   35.732   7.3369   0.0000   0.0000  1483.34  160.524  ?   ?  0.000000 160.5244 
1 1 1  -11   17   12 o  1373.77  108.474   30.114   4.6282   33.434   6.8248   27.286   6.2974  1434.79  154.336  1293.22  158.856 141.5664 221.4832 
1 1 1  -11   17   14 o  1529.22  161.928   38.114   7.6358   38.114   7.6358   0.0000   0.0000  1529.22  161.928  ?   ?  0.000000 161.9281 
1 1 1  -11   17   16 o  531.179  189.866   4.0419   3.9963   4.0419   3.9963   0.0000   0.0000  531.179  189.866  ?   ?  0.000000 189.8662 
1 1 1  -11   17   20 f  898.723  168.841   13.481   4.5769   0.0000   0.0000   13.481   4.5769  ?   ?   898.723  168.841 0.000000 168.8408 
1 1 1  -11   17   22 o  1933.06  162.806   60.806   9.7627   0.0000   0.0000   60.806   9.7627  ?   ?   1933.06  162.806 0.000000 162.8064 
1 1 1  -11   17   26 o  1243.25  167.898   25.474   6.3690   0.0000   0.0000   25.474   6.3690  ?   ?   1243.25  167.898 0.000000 167.8982 
1 1 1  -11   17   28 o  2313.88  172.218   87.670   12.388   0.0000   0.0000   87.670   12.388  ?   ?   2313.88  172.218 0.000000 172.2184 
1 1 1  -11   17   32 o  613.342  195.628   6.2392   4.2367   6.2392   4.2367   0.0000   0.0000  613.342  195.628  ?   ?  0.000000 195.6276 
1 1 1  -11   17   34 o  1249.70  173.648   26.236   6.6114   26.236   6.6114   0.0000   0.0000  1249.70  173.648  ?   ?  0.000000 173.6483 
1 1 1  -11   17   36 o  1735.13  114.808   48.616   6.2024   48.166   8.6313   49.097   8.9187  1700.59  164.131  1714.46  168.304 -13.87219 235.0851 
1 1 1  -11   17   38 f  3497.96  146.912  201.516   16.091  197.885   22.735  205.162   22.778  3365.04  216.922  3432.95  212.954 -67.90918 303.9809 
1 1 1  -11   17   40 o  1076.94  134.943   19.407   4.4506   23.720   6.2528   14.978   6.3362  1167.37  176.578  894.849  226.056 272.5176 286.8473 
1 1 1  -11   17   42 o  2572.18  192.108  120.130   15.361  120.130   15.361   0.0000   0.0000  2572.18  192.108  ?   ?  0.000000 192.1083 
1 1 1  -11   17   44 o  444.168  164.954   3.2193   3.0579  -4.4892   4.0666   13.249   4.6386  305.182  146.551  831.151  183.171 -525.9684 234.5825 
1 1 1  -11   17   46 o  1344.18  128.290   32.038   5.3341   32.146   7.1328   31.901   8.0346  1273.04  184.299  1219.08  218.509 53.96057 285.8537 
1 1 1  -11   17   48 o  1417.86  125.531   36.477   5.5155   32.238   7.3103   42.078   8.4037  1219.44  198.262  1394.09  198.085 -174.6495 280.2599 
1 1 1  -11   17   50 o  467.502  174.960   4.8733   3.4531   5.8155   4.2510   3.0454   5.9207  491.560  191.578  434.506  197.842 57.05365 275.3969 
1 1 1  -11   17   52 o  333.190  154.442   0.2568   3.8368   0.2568   3.8368   0.0000   0.0000  333.190  154.442  ?   ?  0.000000 154.4423 
1 1 1  -11   17   54 o  1137.69  154.782   29.685   5.3708   33.992   7.0782   23.840   8.2457  1060.90  220.281  644.874  261.674 416.0239 342.0483 
1 1 1  -11   18    1 o  843.101  142.768   11.638   3.6345   14.739   5.1609   8.5865   5.1192  940.977  181.739  718.565  212.596 222.4122 279.6894 
1 1 1  -11   18    3 o  1585.75  160.003   40.700   7.8361   40.700   7.8361   0.0000   0.0000  1585.75  160.003  ?   ?  0.000000 160.0030 
1 1 1  -11   18    5 o  376.368  162.541  -0.2773   3.5006  -0.2773   3.5006   0.0000   0.0000  376.368  162.541  ?   ?  0.000000 162.5414 
1 1 1  -11   18    7 o  565.130  191.614   4.8642   4.0416   4.8642   4.0416   0.0000   0.0000  565.130  191.614  ?   ?  0.000000 191.6138 
1 1 1  -11   18    9 o  1256.62  165.000   25.782   6.3355   25.782   6.3355   0.0000   0.0000  1256.62  165.000  ?   ?  0.000000 164.9997 
1 1 1  -11   18   11 o  708.183  198.533   8.4028   4.5798   8.4028   4.5798   0.0000   0.0000  708.183  198.533  ?   ?  0.000000 198.5331 
1 1 1  -11   18   13 o  375.138  151.653   1.0267   2.7584   3.7652   3.9740  -1.5195   3.8319  522.396  189.016  364.726  163.221 157.6699 249.7369 
1 1 1  -11   18   15 o  1112.66  123.012   19.912   4.2141   26.355   5.9083   13.240   6.0122  1274.33  151.006  881.429  218.845 392.9037 265.8876 
1 1 1  -11   18   19 o  830.664  131.840   11.248   3.3146   12.549   4.9778   10.213   4.4428  864.032  189.229  779.294  184.863 84.73755 264.5407 
1 1 1  -11   18   21 o  2047.58  166.066   67.897   10.556   67.897   10.556   0.0000   0.0000  2047.58  166.066  ?   ?  0.000000 166.0658 
1 1 1  -11   18   23 o  1961.82  114.562   61.293   7.0069   65.288   9.9237   57.320   9.8948  2009.59  159.005  1877.89  170.122 131.7036 232.8605 
1 1 1  -11   18   25 o  2445.68  120.831   95.183   9.2533   94.489   13.088   95.876   13.085  2410.04  174.611  2428.47  173.209 -18.42944 245.9478 
1 1 1  -11   18   27 o  626.620  164.497   6.5804   3.2686   5.7120   4.5852   7.4777   4.6607  604.380  204.098  670.297  203.890 -65.91620 288.4908 
1 1 1  -11   18   33 o  906.888  199.151   14.172   5.5004   0.0000   0.0000   14.172   5.5004  ?   ?   906.888  199.151 0.000000 199.1508 
1 1 1  -11   18   35 o  2193.44  175.618   79.954   11.961   0.0000   0.0000   79.954   11.961  ?   ?   2193.44  175.618 0.000000 175.6180 
1 1 1  -11   18   39 o  3231.29  213.135  184.797   21.444   0.0000   0.0000  184.797   21.444  ?   ?   3231.29  213.135 0.000000 213.1345 
1 1 1  -11   18   41 o  3227.75  221.563  194.545   22.258  194.545   22.258   0.0000   0.0000  3227.75  221.563  ?   ?  0.000000 221.5631 
1 1 1  -11   18   43 o  716.085  180.447   9.7076   4.0444   7.1174   5.2928   13.343   6.2700  606.163  218.311  796.184  235.202 -190.0210 320.9047 
1 1 1  -11   18   45 f  1078.88  217.568   24.297   7.0963   24.297   7.0963   0.0000   0.0000  1078.88  217.568  ?   ?  0.000000 217.5679 
1 1 1  -11   18   47 o  1398.19  139.901   35.865   6.0428   41.106   8.1697   29.534   8.9791  1418.43  188.618  1069.22  268.556 349.2026 328.1754 
1 1 1  -11   18   49 o  1474.81  209.226   49.645   9.3912   49.645   9.3912   0.0000   0.0000  1474.81  209.226  ?   ?  0.000000 209.2257 
1 1 1  -11   18   51 o  650.667  219.024   12.047   5.2803   12.047   5.2803   0.0000   0.0000  650.667  219.024  ?   ?  0.000000 219.0241 
1 1 1  -11   18   53 o  1405.95  149.522   42.535   6.4815   49.953   8.6303   32.938   9.8162  1369.46  207.785  787.715  294.950 581.7430 360.7910 
1 1 1  -11   19    2 o  411.095  177.017  -0.2275   4.1272   0.0000   0.0000  -0.2275   4.1272  ?   ?   411.095  177.017 0.000000 177.0168 
1 1 1  -11   19    4 o  421.127  161.900   1.9287   3.0044  -0.4923   3.9797   5.1364   4.5810  397.202  172.421  588.927  203.870 -191.7248 267.0052 
1 1 1  -11   19    6 o  1563.46  115.723   38.893   5.6251   36.200   7.9525   41.588   7.9576  1493.15  173.317  1605.59  160.429 -112.4408 236.1694 
1 1 1  -11   19    8 o  1140.95  122.541   20.859   4.3093   25.337   5.9899   16.054   6.2043  1250.56  156.388  978.005  208.941 272.5536 260.9858 
1 1 1  -11   19   10 o  2080.29  167.464   69.731   10.816   69.731   10.816   0.0000   0.0000  2080.29  167.464  ?   ?  0.000000 167.4640 
1 1 1  -11   19   14 o  452.157  183.680   1.4321   4.0678   1.4321   4.0678   0.0000   0.0000  452.157  183.680  ?   ?  0.000000 183.6796 
1 1 1  -11   19   18 o  2078.89  117.884   68.668   7.6421   72.507   10.780   64.789   10.836  2122.36  163.465  2001.65  174.632 120.7109 239.2006 
1 1 1  -11   19   20 o  1965.08  117.140   61.391   7.1750   57.907   10.054   65.007   10.243  1891.84  171.585  2007.89  164.356 -116.0413 237.6010 
1 1 1  -11   19   22 o  1699.40  167.072   46.788   8.7754   46.788   8.7754   0.0000   0.0000  1699.40  167.072  ?   ?  0.000000 167.0720 
1 1 1  -11   19   24 o  320.877  150.224  -3.6416   3.7768  -3.6416   3.7768   0.0000   0.0000  320.877  150.224  ?   ?  0.000000 150.2236 
1 1 1  -11   19   26 f  3111.97  195.404  158.475   18.944  158.475   18.944   0.0000   0.0000  3111.97  195.404  ?   ?  0.000000 195.4036 
1 1 1  -11   19   28 o  572.669  186.652   5.2134   3.8428   6.9150   5.9833   4.0187   5.0135  669.382  232.921  559.323  210.521 110.0597 313.9606 
1 1 1  -11   19   30 o  1881.49  123.237   56.740   7.2203   55.243   10.490   58.088   9.9529  1829.87  185.653  1884.16  170.549 -54.28650 252.0993 
1 1 1  -11   19   32 o  1551.12  126.992   38.764   6.1139   33.539   9.1346   43.005   8.2288  1405.91  214.274  1619.28  164.579 -213.3737 270.1844 
1 1 1  -11   19   36 o  1550.04  180.307   40.452   8.5877   0.0000   0.0000   40.452   8.5877  ?   ?   1550.04  180.307 0.000000 180.3069 
1 1 1  -11   19   38 o  1543.90  187.039   41.160   8.8576   0.0000   0.0000   41.160   8.8576  ?   ?   1543.90  187.039 0.000000 187.0390 
1 1 1  -11   19   40 o  817.767  249.458   13.247   6.9694   0.0000   0.0000   13.247   6.9694  ?   ?   817.767  249.458 0.000000 249.4576 
1 1 1  -11   19   46 o  952.935  256.926   21.925   7.8411   0.0000   0.0000   21.925   7.8411  ?   ?   952.935  256.926 0.000000 256.9258 
1 1 1  -11   19   48 o  445.200  196.764   2.4170   5.3946   2.4170   5.3946   0.0000   0.0000  445.200  196.764  ?   ?  0.000000 196.7639 
1 1 1  -11   19   50 o  894.667  194.241   18.068   5.2855   12.738   6.5952   27.637   8.8370  647.426  241.892  927.315  280.460 -279.8895 370.3638 
1 1 1  -11   19   52 o  1320.73  236.219   48.354   9.4103   48.354   9.4103   0.0000   0.0000  1320.73  236.219  ?   ?  0.000000 236.2193 
1 1 1  -11   20    1 o  682.342  165.522   7.7067   3.5003   10.450   4.8767   4.7919   5.0271  792.015  197.357  590.677  212.758 201.3381 290.1999 
1 1 1  -11   20    3 o  665.359  170.223   7.3256   3.5609   14.067   5.1105   0.9640   4.9644  922.664  183.350  480.038  199.739 442.6264 271.1328 
1 1 1  -11   20    5 o  631.198  172.122   6.5623   3.4957   8.1021   5.0023   5.0928   4.8869  704.523  210.548  596.751  210.316 107.7715 297.5962 
1 1 1  -11   20    7 o  1388.63  120.602   30.698   5.1919   36.788   7.3751   24.715   7.3102  1512.84  158.021  1226.86  196.953 285.9823 252.5097 
1 1 1  -11   20    9 o  410.660  177.221  -0.3446   4.1553   0.0000   0.0000  -0.3446   4.1553  ?   ?   410.660  177.221 0.000000 177.2213 
1 1 1  -11   20   11 o  1172.63  123.859   21.983   4.4790   19.143   6.1905   25.102   6.4887  1077.95  190.365  1243.18  171.231 -165.2343 256.0448 
1 1 1  -11   20   13 o  312.605  139.611  -1.1370   2.7882  -0.4083   3.7779  -2.0088   4.1322  389.449  168.523  372.644  167.906 16.80505 237.8918 
1 1 1  -11   20   15 o  352.140  163.616  -3.7498   4.3451   0.0000   0.0000  -3.7498   4.3451  ?   ?   352.140  163.616 0.000000 163.6159 
1 1 1  -11   20   21 o  974.302  203.666   15.899   6.0134   15.899   6.0134   0.0000   0.0000  974.302  203.666  ?   ?  0.000000 203.6664 
1 1 1  -11   20   23 o  1436.71  175.674   33.651   7.7384   33.651   7.7384   0.0000   0.0000  1436.71  175.674  ?   ?  0.000000 175.6738 
1 1 1  -11   20   25 o  2159.85  122.509   74.315   8.2512   75.911   11.487   72.613   11.860  2165.67  170.772  2113.61  180.950 52.06445 248.8094 
1 1 1  -11   20   27 o  1467.55  176.496   35.252   7.9478   35.252   7.9478   0.0000   0.0000  1467.55  176.496  ?   ?  0.000000 176.4962 
1 1 1  -11   20   29 o  767.736  235.350   9.9039   6.1941   9.9039   6.1941   0.0000   0.0000  767.736  235.350  ?   ?  0.000000 235.3502 
1 1 1  -11   20   31 o  1102.89  236.745   21.029   7.9313   21.029   7.9313   0.0000   0.0000  1102.89  236.745  ?   ?  0.000000 236.7454 
1 1 1  -11   20   33 o  2728.00  195.614  123.573   16.598  123.573   16.598   0.0000   0.0000  2728.00  195.614  ?   ?  0.000000 195.6136 
1 1 1  -11   20   35 o  1576.95  125.436   40.299   6.1426   40.380   8.5621   40.212   8.8174  1551.80  179.523  1544.88  186.014 6.917847 258.5143 
1 1 1  -11   20   37 o  1914.39  125.314   59.834   7.4704   64.415   10.487   55.114   10.644  1950.94  173.481  1787.84  193.209 163.0898 259.6638 
1 1 1  -11   20   39 o  1685.65  130.039   47.173   6.8107   46.327   9.3945   48.110   9.8879  1621.45  188.555  1645.76  195.714 -24.30701 271.7659 
1 1 1  -11   20   41 o  923.901  229.167   16.790   6.5976   16.790   6.5976   0.0000   0.0000  923.901  229.167  ?   ?  0.000000 229.1669 
1 1 1  -11   20   43 o  300.933  149.939 -12.0797   5.6449   0.0000   0.0000 -12.0797   5.6449  ?   ?   300.933  149.939 0.000000 149.9385 
1 1 1  -11   20   45 o  449.902  206.430  -0.4630   6.6103   0.0000   0.0000  -0.4630   6.6103  ?   ?   449.902  206.430 0.000000 206.4298 
1 1 1  -11   21    2 o  951.381  154.231   14.706   4.4373   18.774   6.2444   10.556   6.3066  1068.65  193.744  801.543  235.633 267.1107 305.0568 
1 1 1  -11   21    4 o  990.952  145.116   15.868   4.3694   12.733   6.2923   18.787   6.0721  873.536  227.715  1070.29  188.045 -196.7529 295.3219 
1 1 1  -11   21    6 o  339.172  151.016  -1.2231   3.2358   1.0961   4.7280  -3.2666   4.4381  474.019  195.887  366.177  168.431 107.8424 258.3418 
1 1 1  -11   21    8 o  870.516  215.593   12.642   5.8459   12.642   5.8459   0.0000   0.0000  870.516  215.593  ?   ?  0.000000 215.5933 
1 1 1  -11   21   10 o  1272.27  126.649   25.821   4.9784   29.855   7.1292   21.983   6.9550  1359.32  171.298  1156.50  199.252 202.8188 262.7632 
1 1 1  -11   21   12 o  503.380  176.759   3.5853   3.4495   3.0389   4.9501   4.1011   4.8097  535.406  207.267  563.012  207.295 -27.60590 293.1393 
1 1 1  -11   21   14 o  1650.83  175.216   43.933   8.9187   0.0000   0.0000   43.933   8.9187  ?   ?   1650.83  175.216 0.000000 175.2156 
1 1 1  -11   21   16 o  495.385  176.325   3.3977   3.4431  -0.8662   4.8697   7.6598   4.8687  433.801  189.481  686.823  208.275 -253.0216 281.5698 
1 1 1  -11   21   18 o  830.939  172.165   11.420   4.3323   16.012   6.2309   7.1229   6.0277  979.020  209.580  685.355  233.996 293.6655 314.1304 
1 1 1  -11   21   20 o  1070.39  150.404   18.573   4.9020   28.759   6.6398   6.3686   7.2675  1333.24  162.404  689.084  254.618 644.1537 302.0020 
1 1 1  -11   21   22 o  915.096  219.972   14.124   6.2252   14.124   6.2252   0.0000   0.0000  915.096  219.972  ?   ?  0.000000 219.9718 
1 1 1  -11   21   24 o  1985.28  178.537   63.814   10.980   63.814   10.980   0.0000   0.0000  1985.28  178.537  ?   ?  0.000000 178.5372 
1 1 1  -11   21   26 o  1903.05  175.792   58.715   10.357   58.715   10.357   0.0000   0.0000  1903.05  175.792  ?   ?  0.000000 175.7920 
1 1 1  -11   21   28 o  1194.33  204.295   23.814   7.3655   23.814   7.3655   0.0000   0.0000  1194.33  204.295  ?   ?  0.000000 204.2950 
1 1 1  -11   21   30 o  2633.16  186.277  113.297   15.260  113.297   15.260   0.0000   0.0000  2633.16  186.277  ?   ?  0.000000 186.2774 
1 1 1  -11   21   32 o  1757.82  198.164   51.514   10.717   51.514   10.717   0.0000   0.0000  1757.82  198.164  ?   ?  0.000000 198.1637 
1 1 1  -11   21   34 o  1265.82  156.984   26.531   6.0887   31.428   8.7849   22.003   8.4465  1349.50  215.119  1107.34  249.575 242.1539 329.4901 
1 1 1  -11   21   36 o  778.676  262.282   10.962   7.5721   10.962   7.5721   0.0000   0.0000  778.676  262.282  ?   ?  0.000000 262.2824 
1 1 1  -11   21   38 o  1171.30  215.466   24.921   7.6113   24.921   7.6113   0.0000   0.0000  1171.30  215.466  ?   ?  0.000000 215.4659 
1 1 1  -11   21   40 o  755.300  241.451   11.162   6.4512   11.162   6.4512   0.0000   0.0000  755.300  241.451  ?   ?  0.000000 241.4509 
1 1 1  -11   21   42 o  1013.00  257.332   21.526   8.1784   0.0000   0.0000   21.526   8.1784  ?   ?   1013.00  257.332 0.000000 257.3317 
1 1 1  -11   21   44 o  376.176  171.004  -1.0677   4.4006  -0.5868   5.6993  -1.7775   6.9250  430.440  195.262  448.679  207.802 -18.23883 285.1473 
1 1 1  -11   21   46 o  505.797  214.914   3.7602   5.9379   3.7602   5.9379   0.0000   0.0000  505.797  214.914  ?   ?  0.000000 214.9137 
1 1 1  -11   21   48 o  328.935  161.214  -7.0517   5.6291  -7.0517   5.6291   0.0000   0.0000  328.935  161.214  ?   ?  0.000000 161.2143 
1 1 1  -11   22    1 o  1292.16  133.376   26.644   5.3189   26.156   7.6918   27.091   7.3630  1265.33  200.845  1291.52  187.553 -26.18274 274.7997 
1 1 1  -11   22    3 o  489.079  201.470   1.2459   4.9803   0.0000   0.0000   1.2459   4.9803  ?   ?   489.079  201.470 0.000000 201.4700 
1 1 1  -11   22    5 o  1376.39  129.010   30.162   5.4952   31.777   7.8874   28.638   7.6604  1401.45  184.201  1327.96  189.607 73.48706 264.3497 
1 1 1  -11   22    7 o  732.988  230.864   8.5671   5.9148   8.5671   5.9148   0.0000   0.0000  732.988  230.864  ?   ?  0.000000 230.8637 
1 1 1  -11   22    9 o  554.933  182.226   4.7122   3.6602  -0.0000   5.1653   9.4647   5.1873  467.324  199.548  757.541  210.910 -290.2173 290.3489 
1 1 1  -11   22   11 f  779.245  178.464   10.045   4.2608   11.376   6.0056   8.6962   6.0461  827.620  225.573  738.359  233.504 89.26111 324.6652 
1 1 1  -11   22   13 o  1072.36  204.457   18.997   6.6147   0.0000   0.0000   18.997   6.6147  ?   ?   1072.36  204.457 0.000000 204.4571 
1 1 1  -11   22   15 o  761.349  181.710   9.6115   4.2717   9.5640   6.0331   9.6591   6.0492  765.881  231.756  769.183  231.910 -3.302063 327.8607 
1 1 1  -11   22   17 o  581.960  190.786   5.2243   4.0127  -1.8460   5.5274   13.103   5.8347  445.216  197.851  885.479  213.029 -440.2629 290.7338 
1 1 1  -11   22   19 o  560.161  207.721   3.9938   4.8455   0.0000   0.0000   3.9938   4.8455  ?   ?   560.161  207.721 0.000000 207.7209 
1 1 1  -11   22   21 o  1231.56  145.963   24.410   5.5193   32.335   7.6636   15.870   7.9554  1411.84  177.261  968.085  257.831 443.7576 312.8868 
1 1 1  -11   22   23 o  1269.08  145.445   25.917   5.6753   28.890   7.7329   22.445   8.3555  1328.50  191.419  1154.41  239.019 174.0878 306.2210 
1 1 1  -11   22   25 o  1473.28  206.559   35.728   9.2671   0.0000   0.0000   35.728   9.2671  ?   ?   1473.28  206.559 0.000000 206.5589 
1 1 1  -11   22   27 o  1750.90  191.330   50.091   10.319   50.091   10.319   0.0000   0.0000  1750.90  191.330  ?   ?  0.000000 191.3300 
1 1 1  -11   22   29 o  897.706  250.111   13.879   7.2921   13.879   7.2921   0.0000   0.0000  897.706  250.111  ?   ?  0.000000 250.1106 
1 1 1  -11   22   31 o  1161.16  216.423   23.028   7.5794   23.028   7.5794   0.0000   0.0000  1161.16  216.423  ?   ?  0.000000 216.4231 
1 1 1  -11   22   33 o  1360.60  240.216   32.519   9.8599   32.519   9.8599   0.0000   0.0000  1360.60  240.216  ?   ?  0.000000 240.2158 
1 1 1  -11   22   35 o  1251.68  266.864   29.047   10.140   29.047   10.140   0.0000   0.0000  1251.68  266.864  ?   ?  0.000000 266.8642 
1 1 1  -11   22   37 f  560.040  242.091   1.5065   7.7802   1.5065   7.7802   0.0000   0.0000  560.040  242.091  ?   ?  0.000000 242.0908 
1 1 1  -11   22   39 o  1177.02  229.395   25.908   8.1506   25.908   8.1506   0.0000   0.0000  1177.02  229.395  ?   ?  0.000000 229.3947 
1 1 1  -11   22   41 o  749.047  212.996   10.727   5.2326   13.807   6.8662   6.4582   8.0817  827.319  246.543  635.670  258.639 191.6487 357.3199 
1 1 1  -11   22   43 o  799.740  256.607   13.770   7.2814   13.770   7.2814   0.0000   0.0000  799.740  256.607  ?   ?  0.000000 256.6069 
1 1 1  -11   22   45 o  555.585  230.652   5.0723   6.5985   5.0723   6.5985   0.0000   0.0000  555.585  230.652  ?   ?  0.000000 230.6515 
1 1 1  -11   22   47 o  595.498  239.071   7.7788   6.8036   7.7788   6.8036   0.0000   0.0000  595.498  239.071  ?   ?  0.000000 239.0707 
1 1 1  -11   23    2 o  1124.98  207.267   20.801   7.0322   0.0000   0.0000   20.801   7.0322  ?   ?   1124.98  207.267 0.000000 207.2668 
1 1 1  -11   23    4 o  373.285  165.861  -1.3916   3.8831   3.3765   5.8424  -5.1645   5.1971  576.834  224.654  375.904  176.060 200.9309 285.4237 
1 1 1  -11   23    8 o  434.844  181.289   0.6603   4.1010   5.7483   5.8937  -4.1155   5.7100  644.698  230.563  416.412  191.357 228.2856 299.6274 
1 1 1  -11   23   10 o  809.906  240.091   10.722   6.5242   10.722   6.5242   0.0000   0.0000  809.906  240.091  ?   ?  0.000000 240.0910 
1 1 1  -11   23   12 o  672.447  198.407   7.3357   4.4641   0.0000   6.5214   13.804   6.1236  524.034  224.003  910.689  217.699 -386.6545 312.3625 
1 1 1  -11   23   14 o  1025.79  160.644   17.074   4.9905   26.491   7.1354   8.0576   6.9824  1277.51  183.656  734.007  251.830 543.4993 311.6861 
1 1 1  -11   23   16 o  914.957  176.350   13.754   4.8691   6.8587   6.8708   20.710   6.9013  697.737  249.004  1121.48  204.045 -423.7415 321.9278 
1 1 1  -11   23   18 o  1237.11  132.322   24.461   5.0463   36.865   7.6826   15.047   6.6925  1514.65  164.638  948.412  228.140 566.2393 281.3420 
1 1 1  -11   23   20 o  994.999  202.688   16.419   6.1005   0.0000   0.0000   16.419   6.1005  ?   ?   994.999  202.688 0.000000 202.6884 
1 1 1  -11   23   22 o  1383.35  180.854   31.076   7.6463   0.0000   0.0000   31.076   7.6463  ?   ?   1383.35  180.854 0.000000 180.8535 
1 1 1  -11   23   24 o  1138.89  218.676   21.653   7.5148   0.0000   0.0000   21.653   7.5148  ?   ?   1138.89  218.676 0.000000 218.6763 
1 1 1  -11   23   26 o  1636.99  200.771   43.974   10.075   0.0000   0.0000   43.974   10.075  ?   ?   1636.99  200.771 0.000000 200.7711 
1 1 1  -11   23   28 o  2189.26  134.129   76.733   9.1503   79.690   12.648   73.486   13.255  2209.86  184.467  2112.63  202.862 97.23633 274.1918 
1 1 1  -11   23   30 o  910.964  207.920   14.224   5.8001   16.353   7.7827   11.563   8.6988  964.151  254.179  830.237  281.112 133.9139 378.9870 
1 1 1  -11   23   32 o  1374.39  161.698   31.204   6.8257   39.815   9.0503   19.844   10.395  1539.20  191.952  1033.71  302.125 505.4904 357.9459 
1 1 1  -11   23   34 o  784.849  262.673   10.877   7.5941   10.877   7.5941   0.0000   0.0000  784.849  262.673  ?   ?  0.000000 262.6728 
1 1 1  -11   23   36 o  1555.37  239.271   43.646   11.280   43.646   11.280   0.0000   0.0000  1555.37  239.271  ?   ?  0.000000 239.2710 
1 1 1  -11   23   38 o  679.245  274.471   6.7307   9.0312   6.7307   9.0312   0.0000   0.0000  679.245  274.471  ?   ?  0.000000 274.4712 
1 1 1  -11   23   40 o  656.868  268.486   6.4885   8.7590   6.4885   8.7590   0.0000   0.0000  656.868  268.486  ?   ?  0.000000 268.4863 
1 1 1  -11   23   42 o  811.095  261.555   13.732   7.5577   13.732   7.5577   0.0000   0.0000  811.095  261.555  ?   ?  0.000000 261.5549 
1 1 1  -11   23   44 o  937.162  271.219   19.659   8.4138   19.659   8.4138   0.0000   0.0000  937.162  271.219  ?   ?  0.000000 271.2189 
1 1 1  -11   24    1 o  942.552  238.816   14.765   7.0568   0.0000   0.0000   14.765   7.0568  ?   ?   942.552  238.816 0.000000 238.8155 
1 1 1  -11   24    3 o  849.782  242.020   11.865   6.7504   0.0000   0.0000   11.865   6.7504  ?   ?   849.782  242.020 0.000000 242.0199 
1 1 1  -11   24    7 o  773.003  239.774   9.5568   6.4076   0.0000   0.0000   9.5568   6.4076  ?   ?   773.003  239.774 0.000000 239.7741 
1 1 1  -11   24    9 o  1000.81  169.943   16.294   5.1352   15.641   7.6854   16.822   6.9020  968.970  251.213  1006.97  224.612 -37.99530 336.9844 
1 1 1  -11   24   11 o  389.105  172.111  -1.3040   4.1356   2.5789   6.3460  -4.1703   5.4525  574.370  230.785  403.547  186.015 170.8224 296.4168 
1 1 1  -11   24   13 o  868.423  254.918   12.379   7.3859   12.379   7.3859   0.0000   0.0000  868.423  254.918  ?   ?  0.000000 254.9183 
1 1 1  -11   24   15 o  722.055  239.980   8.0006   6.3409   0.0000   0.0000   8.0006   6.3409  ?   ?   722.055  239.980 0.000000 239.9798 
1 1 1  -11   24   17 o  1318.66  136.840   27.765   5.5679   31.387   8.5433   25.091   7.3411  1388.10  202.519  1239.94  195.561 148.1573 281.5278 
1 1 1  -11   24   19 o  601.331  195.144   5.6139   4.2021   4.8454   7.1765   6.0149   5.1836  652.490  250.372  635.497  216.995 16.99323 331.3199 
1 1 1  -11   24   21 o  716.783  224.050   8.2623   5.5827   0.0000   0.0000   8.2623   5.5827  ?   ?   716.783  224.050 0.000000 224.0496 
1 1 1  -11   24   23 o  823.755  232.446   11.351   6.2568   0.0000   0.0000   11.351   6.2568  ?   ?   823.755  232.446 0.000000 232.4456 
1 1 1  -11   24   25 o  843.684  257.977   11.917   7.4478   11.917   7.4478   0.0000   0.0000  843.684  257.977  ?   ?  0.000000 257.9773 
1 1 1  -11   24   27 o  827.030  191.889   11.541   4.8732   11.294   7.4880   11.722   6.4184  820.766  259.892  829.348  235.922 -8.581604 351.0033 
1 1 1  -11   24   29 o  478.610  196.767   1.5153   4.7388   2.4984   6.7576   0.5641   6.6471  572.841  235.176  529.120  226.163 43.72058 326.2785 
1 1 1  -11   24   31 o  619.727  223.015   5.7494   5.5223   3.1181   7.7506   8.4626   7.8702  610.461  251.387  735.198  266.002 -124.7362 365.9947 
1 1 1  -11   24   33 o  391.200  182.318  -4.3615   5.4611  -9.8434   7.2505   2.8261   8.3023  401.471  193.503  613.978  257.124 -212.5070 321.8014 
1 1 1  -11   24   35 o  516.486  212.104   2.2977   5.4988   2.9620   7.0649   1.2769   8.7579  577.657  239.143  592.337  256.451 -14.68079 350.6518 
1 1 1  -11   24   37 o  753.172  255.376   10.269   7.1790   16.277   10.351   4.7004   9.9655  907.843  306.649  667.524  280.737 240.3195 415.7487 
1 1 1  -11   24   39 o  552.006  250.201  -1.4135   9.3339  -1.4135   9.3339   0.0000   0.0000  552.006  250.201  ?   ?  0.000000 250.2005 
1 1 1  -11   24   41 o  530.747  244.912  -2.6372   9.4899  -2.6372   9.4899   0.0000   0.0000  530.747  244.912  ?   ?  0.000000 244.9119 
1 1 1  -11   25    2 o  1077.24  196.416   18.977   6.3812   16.105   10.524   20.647   8.0244  995.615  307.041  1116.71  236.830 -121.0958 387.7664 
1 1 1  -11   25    4 o  735.656  282.014   6.0993   9.0997   6.0993   9.0997   0.0000   0.0000  735.656  282.014  ?   ?  0.000000 282.0138 
1 1 1  -11   25    6 o  542.954  213.665   2.7321   5.3301   13.787   8.1523  -5.5222   7.0442  916.852  267.441  456.428  210.754 460.4249 340.5023 
1 1 1  -11   25    8 f  1180.47  233.034   23.007   8.3080   0.0000   0.0000   23.007   8.3080  ?   ?   1180.47  233.034 0.000000 233.0339 
1 1 1  -11   25   10 o  1228.57  215.831   24.736   7.9999   0.0000   0.0000   24.736   7.9999  ?   ?   1228.57  215.831 0.000000 215.8307 
1 1 1  -11   25   12 o  1391.61  211.800   31.549   8.9380   0.0000   0.0000   31.549   8.9380  ?   ?   1391.61  211.800 0.000000 211.7999 
1 1 1  -11   25   14 o  882.801  252.021   12.869   7.3109   0.0000   0.0000   12.869   7.3109  ?   ?   882.801  252.021 0.000000 252.0215 
1 1 1  -11   25   16 o  1002.60  230.370   16.765   7.0803   0.0000   0.0000   16.765   7.0803  ?   ?   1002.60  230.370 0.000000 230.3702 
1 1 1  -11   25   18 o  768.490  194.514   9.7999   4.6849   5.9578   7.7619   12.002   5.8758  694.562  261.841  848.541  219.492 -153.9795 341.6685 
1 1 1  -11   25   20 o  368.247  165.855  -1.9539   4.0268   2.5135   6.8831  -4.2786   4.9652  587.600  238.841  376.371  174.884 211.2295 296.0229 
1 1 1  -11   25   22 o  624.338  209.848   5.9666   4.8471  -1.2654   8.1786   9.8820   6.0178  559.074  244.841  773.189  230.900 -214.1152 336.5440 
1 1 1  -11   25   24 o  759.272  231.277   9.5450   5.9938   0.0000   0.0000   9.5450   5.9938  ?   ?   759.272  231.277 0.000000 231.2771 
1 1 1  -11   25   26 o  541.865  201.283   3.8310   4.5537   8.3197   6.9497   0.4540   6.0280  729.499  251.185  507.235  216.054 222.2644 331.3204 
1 1 1  -11   25   30 o  974.868  238.031   16.631   7.2029   0.0000   0.0000   16.631   7.2029  ?   ?   974.868  238.031 0.000000 238.0313 
1 1 1  -11   25   32 o  492.421  201.257   1.9073   4.9213   10.365   8.0296  -3.1812   6.2282  784.084  269.996  443.478  202.308 340.6057 337.3816 
1 1 1  -11   25   34 o  721.951  221.584   9.0565   5.4888   8.5768   8.4753   9.4030   7.2035  737.172  274.450  743.669  255.749 -6.496887 375.1408 
1 1 1  -11   25   36 o  474.663  204.817   0.3862   5.5488   4.9505   7.4859  -5.1794   8.2663  629.501  251.460  485.144  225.501 144.3575 337.7617 
1 1 1  -11   25   38 o  1000.05  240.394   18.574   7.4347   16.740   10.818   20.216   10.235  914.401  313.468  1003.54  301.450 -89.14130 434.8961 
1 1 1  -11   25   40 o  874.127  313.631   15.883   10.914   0.0000   0.0000   15.883   10.914  ?   ?   874.127  313.631 0.000000 313.6309 
1 1 1  -11   26    3 o  614.249  266.490  -1.0696   9.4964  -1.0696   9.4964   0.0000   0.0000  614.249  266.490  ?   ?  0.000000 266.4904 
1 1 1  -11   26    5 o  1110.14  197.879   20.149   6.6263   26.025   10.092   15.696   8.7852  1249.93  266.026  973.807  275.664 276.1249 383.0931 
1 1 1  -11   26    7 o  843.714  217.166   11.778   5.7711   14.115   9.0533   10.178   7.4902  931.467  284.354  805.527  260.449 125.9401 385.6045 
1 1 1  -11   26    9 o  891.122  285.007   12.652   8.9878   12.652   8.9878   0.0000   0.0000  891.122  285.007  ?   ?  0.000000 285.0070 
1 1 1  -11   26   11 o  595.333  242.102   2.4176   7.0767   0.0000   0.0000   2.4176   7.0767  ?   ?   595.333  242.102 0.000000 242.1025 
1 1 1  -11   26   13 f  459.607  198.085  -0.3945   5.1776  -5.9320   7.9157   3.7463   6.8450  485.467  223.899  617.610  242.424 -132.1438 329.9998 
1 1 1  -11   26   15 o  890.844  262.267   13.119   7.8078   0.0000   0.0000   13.119   7.8078  ?   ?   890.844  262.267 0.000000 262.2673 
1 1 1  -11   26   17 o  406.586  192.300  -7.3207   6.4745   0.0000   0.0000  -7.3207   6.4745  ?   ?   406.586  192.300 0.000000 192.2999 
1 1 1  -11   26   19 o  632.357  244.527   4.4423   6.8838   0.0000   0.0000   4.4423   6.8838  ?   ?   632.357  244.527 0.000000 244.5266 
1 1 1  -11   26   21 o  560.374  218.040   3.3343   5.4996   2.8299   9.4252   3.5947   6.7719  668.852  276.502  607.038  240.215 61.81439 366.2739 
1 1 1  -11   26   23 o  1038.67  221.748   18.204   6.9925   0.0000   0.0000   18.204   6.9925  ?   ?   1038.67  221.748 0.000000 221.7483 
1 1 1  -11   26   25 o  475.970  198.711   0.9742   4.9369   3.1881   8.4781  -0.1616   6.0726  643.860  263.769  497.189  214.403 146.6703 339.9159 
1 1 1  -11   26   27 o  573.008  211.908   4.4095   5.0360  -1.0768   8.1770   7.7620   6.3921  555.937  244.109  703.223  240.962 -147.2860 343.0036 
1 1 1  -11   26   29 o  731.025  214.984   9.0462   5.2488   21.299   8.3787   1.1316   6.7339  1105.29  248.171  543.697  229.827 561.5880 338.2443 
1 1 1  -11   26   31 o  653.663  219.747   6.8831   5.3151   8.4884   8.4394   5.8278   6.8427  746.680  274.639  651.312  245.773 95.36877 368.5526 
1 1 1  -11   26   33 o  572.909  217.569   4.3348   5.3841   5.9072   8.8414   3.4079   6.7878  690.753  274.117  587.744  237.793 103.0093 362.8848 
1 1 1  -11   26   35 o  453.929  199.891  -0.7249   5.5178  -0.8411   8.8734  -0.6516   7.0456  566.882  251.358  512.005  225.650 54.87732 337.7847 
1 1 1  -11   26   37 o  474.733  203.145   0.7191   5.3737  -3.6197   8.5039   3.6035   6.9335  511.633  234.527  586.047  239.131 -74.41351 334.9425 
1 1 1  -11   27    2 o  498.446  224.075  -3.3258   7.3100  -3.3258   7.3100   0.0000   0.0000  498.446  224.075  ?   ?  0.000000 224.0751 
1 1 1  -11   27    4 o  628.716  247.831   3.7420   7.1822   3.7420   7.1822   0.0000   0.0000  628.716  247.831  ?   ?  0.000000 247.8306 
1 1 1  -11   27    6 o  752.147  253.600   8.5754   7.0791   8.5754   7.0791   0.0000   0.0000  752.147  253.600  ?   ?  0.000000 253.5999 
1 1 1  -11   27    8 o  775.627  230.083   9.7946   5.9901   19.566   9.3010   2.8695   7.8302  1079.20  274.576  629.126  255.097 450.0703 374.7882 
1 1 1  -11   27   10 o  557.508  240.743  -0.5629   7.6776   0.0000   0.0000  -0.5629   7.6776  ?   ?   557.508  240.743 0.000000 240.7435 
1 1 1  -11   27   12 o  397.284  193.940 -14.4022   7.9104 -14.4022   7.9104   0.0000   0.0000  397.284  193.940  ?   ?  0.000000 193.9399 
1 1 1  -11   27   14 o  1267.05  176.499   26.026   6.8124   34.370   9.9863   18.763   9.3167  1445.17  228.263  1053.73  278.253 391.4427 359.9005 
1 1 1  -11   27   16 o  767.935  229.242   9.6586   5.9325   17.409   8.8145   3.2403   8.0212  1014.71  271.913  639.814  258.623 374.8996 375.2634 
1 1 1  -11   27   18 o  1306.53  176.846   27.731   7.0489   33.566   10.061   22.105   9.8790  1422.42  234.027  1138.09  279.301 284.3330 364.3871 
1 1 1  -11   27   20 o  395.870  191.175 -10.9584   7.1622   0.0000   0.0000 -10.9584   7.1622  ?   ?   395.870  191.175 0.000000 191.1754 
1 1 1  -11   27   22 o  442.333  208.632  -7.8972   7.5258   0.0000   0.0000  -7.8972   7.5258  ?   ?   442.333  208.632 0.000000 208.6320 
1 1 1  -11   27   26 o  631.584  251.449   3.9923   7.4618   0.0000   0.0000   3.9923   7.4618  ?   ?   631.584  251.449 0.000000 251.4488 
1 1 1  -11   27   28 o  779.875  224.511   10.322   5.7790   14.362   9.3180   7.7969   7.3671  913.720  289.979  719.793  257.738 193.9272 387.9647 
1 1 1  -11   27   30 o  518.681  210.846   2.1629   5.3647   6.7296   8.8196  -0.5191   6.7588  717.954  277.016  512.844  223.638 205.1106 356.0225 
1 1 1  -11   27   32 o  382.884  183.309  -7.9791   6.2566   0.0000   0.0000  -7.9791   6.2566  ?   ?   382.884  183.309 0.000000 183.3094 
1 1 1  -11   27   34 o  626.731  228.837   5.8417   5.8439   13.085   8.9801   0.5211   7.6966  859.779  285.581  557.295  240.846 302.4840 373.5817 
1 1 1  -11   27   36 o  437.039  198.668  -2.6371   5.9392   3.9940   9.8172  -6.4652   7.4590  667.379  279.551  444.137  208.943 223.2415 349.0072 
1 1 1  -11   28    1 o  493.408  213.831  -0.7140   6.1009   4.3250   7.8165  -8.5693   9.7592  660.169  259.080  523.716  243.959 136.4533 355.8626 
1 1 1  -11   28    3 o  601.356  232.043   3.8928   6.1887   2.4576   7.8257   6.2887   10.111  620.489  253.717  761.426  295.820 -140.9368 389.7201 
1 1 1  -11   28    5 o  560.796  237.441   0.5335   7.2063   4.9771   11.435  -2.3935   9.2810  768.656  309.464  585.270  258.408 183.3861 403.1657 
1 1 1  -11   28    7 o  655.857  254.548   4.5613   7.4808   4.5613   7.4808   0.0000   0.0000  655.857  254.548  ?   ?  0.000000 254.5478 
1 1 1  -11   28    9 o  726.934  306.354   1.7483   11.907   1.7483   11.907   0.0000   0.0000  726.934  306.354  ?   ?  0.000000 306.3541 
1 1 1  -11   28   11 o  716.597  259.975   7.0122   7.5250   7.0122   7.5250   0.0000   0.0000  716.597  259.975  ?   ?  0.000000 259.9751 
1 1 1  -11   28   13 o  700.819  260.945   6.2904   7.6622   6.2904   7.6622   0.0000   0.0000  700.819  260.945  ?   ?  0.000000 260.9454 
1 1 1  -11   28   15 o  419.155  189.963  -2.9352   5.3788   2.8350   7.2601  -9.9559   8.0084  608.162  245.971  441.602  210.307 166.5596 323.6211 
1 1 1  -11   28   17 o  1186.45  231.132   23.472   8.2780   23.472   8.2780   0.0000   0.0000  1186.45  231.132  ?   ?  0.000000 231.1319 
1 1 1  -11   28   19 o  405.604  187.802  -4.5396   5.6505  -8.3346   7.5195   0.3828   8.5640  438.414  207.318  601.247  256.845 -162.8328 330.0760 
1 1 1  -11   28   21 o  634.789  232.238   5.4481   6.0231  -0.7595   8.1084   13.090   8.9965  565.199  245.729  892.090  285.126 -326.8915 376.4038 
1 1 1  -11   28   23 o  604.235  248.788   2.3592   7.5899  -9.7909   13.548   7.9169   9.1628  623.772  289.516  764.549  285.222 -140.7770 406.4121 
1 1 1  -11   28   25 o  626.706  250.935   3.6608   7.4740  -4.3864   13.373   7.3161   9.0130  672.393  302.598  745.497  281.886 -73.10443 413.5519 
1 1 1  -11   28   27 o  1091.64  291.877   20.936   10.170   0.0000   0.0000   20.936   10.170  ?   ?   1091.64  291.877 0.000000 291.8773 
1 1 1  -11   28   29 o  543.988  242.930  -2.4205   8.4405   0.0000   0.0000  -2.4205   8.4405  ?   ?   543.988  242.930 0.000000 242.9299 
1 1 1  -11   28   31 o  580.987  249.899   0.5589   8.2075   0.0000   0.0000   0.5589   8.2075  ?   ?   580.987  249.899 0.000000 249.8988 
1 1 1  -11   28   33 o  628.120  252.490   4.0966   7.5994 -10.4371   16.814   7.8275   8.5191  678.236  317.350  731.606  274.610 -53.36969 419.6681 
1 1 1  -11   29    2 o  625.872  240.948   4.2867   6.6608   9.5126   8.1851  -5.9592   11.461  796.148  272.670  610.891  277.034 185.2573 388.7119 
1 1 1  -11   29    4 o  535.965  224.708   0.8748   6.3525  -2.4316   8.2959   5.5616   9.8771  549.960  243.488  741.371  291.142 -191.4112 379.5393 
1 1 1  -11   29    6 o  626.079  258.925   2.0245   8.2698   12.188   13.102  -4.7053   10.662  936.435  342.538  600.222  270.147 336.2125 436.2476 
1 1 1  -11   29    8 o  897.985  274.919   13.151   8.4551   6.7788   13.575   17.189   10.807  847.823  338.643  1019.97  310.528 -172.1420 459.4638 
1 1 1  -11   29   10 o  580.492  229.282   3.1262   6.1588   5.4305   7.8077  -0.6692   10.020  684.880  261.542  635.069  274.633 49.81128 379.2460 
1 1 1  -11   29   12 o  677.066  232.162   6.8072   5.9339   15.436   8.0856  -3.2641   8.7356  960.610  261.703  552.594  246.930 408.0166 359.8093 
1 1 1  -11   29   14 o  755.577  268.924   8.1617   8.0090   8.1617   8.0090   0.0000   0.0000  755.577  268.924  ?   ?  0.000000 268.9242 
1 1 1  -11   29   16 o  443.273  209.315  -8.3417   7.6150  -8.3417   7.6150   0.0000   0.0000  443.273  209.315  ?   ?  0.000000 209.3149 
1 1 1  -11   29   18 o  450.855  212.751  -8.4446   7.8426  -8.4446   7.8426   0.0000   0.0000  450.855  212.751  ?   ?  0.000000 212.7507 
1 1 1  -11   29   20 o  659.206  271.027   2.8490   8.9911   2.8490   8.9911   0.0000   0.0000  659.206  271.027  ?   ?  0.000000 271.0270 
1 1 1  -11   29   22 o  1161.89  263.396   22.983   9.3617   22.983   9.3617   0.0000   0.0000  1161.89  263.396  ?   ?  0.000000 263.3961 
1 1 1  -11   29   24 f  469.917  214.204  -4.0084   6.9651  -8.1784   10.773  -1.0139   9.1297  556.419  258.227  594.349  259.529 -37.92987 366.1097 
1 1 1  -11   29   26 o  513.532  226.937  -1.6798   7.1738   6.6433   10.983  -7.8733   9.4741  773.319  305.947  514.501  239.901 258.8177 388.7880 
1 1 1  -11   29   28 o  775.039  277.989   9.0423   8.5737  -1.4142   16.233   13.088   10.097  770.990  341.008  892.318  302.859 -121.3287 456.0809 
1 1 1  -11   30    1 o  651.389  274.003   1.2576   9.4960   1.2576   9.4960   0.0000   0.0000  651.389  274.003  ?   ?  0.000000 274.0027 
1 1 1  -11   30    3 o  1020.70  238.694   17.350   7.4926   17.224   9.6723   17.540   11.848  1017.36  289.685  1037.39  326.745 -20.02576 436.6685 
1 1 1  -11   30    5 f  702.682  269.132   5.6129   8.2827   5.7580   11.482   5.4554   11.959  784.875  312.095  790.859  317.155 -5.984009 444.9609 
1 1 1  -11   30    7 o  862.952  281.034   11.735   8.7123   28.651   12.879  -2.5384   11.830  1299.59  318.874  665.270  292.830 634.3176 432.9319 
1 1 1  -11   30    9 o  731.892  254.370   7.8299   7.1350   13.432   9.0288  -1.4876   11.644  911.175  284.950  673.594  293.640 237.5809 409.1709 
1 1 1  -11   30   11 o  916.956  281.929   13.714   8.8810   6.5414   13.536   19.135   11.768  843.251  337.679  1072.41  323.488 -229.1554 467.6234 
1 1 1  -11   30   13 o  638.972  247.330   4.3849   7.0480   11.832   14.618   2.1293   8.0448  952.536  359.271  620.261  255.849 332.2748 441.0608 
1 1 1  -11   30   15 o  614.811  247.413   3.0224   7.3056  -2.4275   13.905   5.1003   8.5861  722.744  317.817  697.063  272.103 25.68091 418.3871 
1 1 1  -11   30   17 o  567.767  235.086   1.6135   6.8287  -5.8877   10.411   7.2784   9.0470  575.369  262.120  755.371  283.095 -180.0018 385.8105 
1 1 1  -11   30   19 o  969.323  329.846   14.850   11.977   14.850   11.977   0.0000   0.0000  969.323  329.846  ?   ?  0.000000 329.8462 
1 1 1  -11   30   21 o  1002.20  344.321   15.992   13.055   15.992   13.055   0.0000   0.0000  1002.20  344.321  ?   ?  0.000000 344.3206 
1 1 1  -11   30   23 o  776.460  291.055   7.9579   9.5638   7.9579   9.5638   0.0000   0.0000  776.460  291.055  ?   ?  0.000000 291.0548 
1 1 1  -11   30   25 o  553.641  250.365  -4.2256   9.2844  -4.2256   9.2844   0.0000   0.0000  553.641  250.365  ?   ?  0.000000 250.3646 
1 1 1  -11   31    2 o  775.240  269.879   8.7607   8.0332   12.614   9.9954   1.7322   13.500  902.801  301.357  771.902  325.805 130.8990 443.8074 
1 1 1  -11   31    4 o  608.607  250.670   2.0063   7.7082   3.1806   9.7053   0.0000   12.686  692.669  282.811  725.719  311.378 -33.04987 420.6399 
1 1 1  -11   31    6 o  1112.52  346.898   20.335   13.392   0.0000   0.0000   20.335   13.392  ?   ?   1112.52  346.898 0.000000 346.8976 
1 1 1  -11   31    8 o  618.675  266.558  -0.4845   9.3698   0.3886   14.623  -1.0925   12.204  781.286  334.739  696.549  302.149 84.73767 450.9371 
1 1 1  -11   31   10 f  817.591  258.541   10.650   7.4122   2.6415   9.1731   25.716   12.582  666.407  273.845  1232.32  322.365 -565.9179 422.9774 
1 1 1  -11   31   12 o  465.878  213.631  -4.8491   7.0649   4.0650   15.087  -7.3528   7.9958  841.036  348.928  471.479  220.025 369.5568 412.5067 
1 1 1  -11   31   14 o  317.784  160.048 -22.9139   7.3227   0.0000   0.0000 -22.9139   7.3227  ?   ?   317.784  160.048 0.000000 160.0476 
1 1 1  -11   31   16 o  1143.47  267.573   21.996   9.4104   0.0000   0.0000   21.996   9.4104  ?   ?   1143.47  267.573 0.000000 267.5725 
1 1 1  -11   31   18 o  709.202  258.439   6.8125   7.4483 -14.6927   12.603   18.356   9.2334  558.554  265.376  1043.23  277.735 -484.6774 384.1370 
1 1 1  -11   32    1 o  497.754  234.501 -10.1144   9.4575  -9.5294   14.180 -10.5832   12.693  657.291  301.865  602.237  279.763 55.05341 411.5696 
1 1 1  -11   32    3 o  513.463  239.827  -8.8898   9.5328  -9.7019   14.568  -8.2818   12.606  666.794  306.135  622.981  285.560 43.81323 418.6445 
1 1 1  -11   32    5 o  486.626  230.186 -10.5657   9.2825  -7.1178   14.431 -12.9991   12.123  689.000  311.805  561.489  264.823 127.5109 409.0889 
1 1 1  -11   32    7 o  969.636  287.599   15.430   9.3597   4.2641   13.451   25.911   13.032  809.011  331.929  1239.28  329.968 -430.2683 468.0335 
1 1 1  -10    0    2 o  681.224  159.759   8.3794   2.9613   8.3794   2.9613   8.3794   2.9613  681.224  159.759  681.224  159.759 -0.000000 0.000000 
1 1 1  -10    0    4 o  3301.95  192.324  173.389   19.730  173.389   19.730  173.389   19.730  3301.95  192.324  3301.95  192.324 -0.000000 0.000000 
1 1 1  -10    0    6 o  2891.50  178.702  133.048   16.038  133.048   16.038  133.048   16.038  2891.50  178.702  2891.50  178.702 -0.000000 0.000000 
1 1 1  -10    0    8 o  625.479  168.590   7.3364   2.8537   7.3364   2.8537   7.3364   2.8537  625.479  168.590  625.479  168.590 -0.000000 0.000000 
1 1 1  -10    0   10 o  2951.79  126.535  137.582   11.646  137.582   11.646  137.582   11.646  2951.79  126.535  2951.79  126.535 -0.000000 0.000000 
1 1 1  -10    0   12 o  873.365   97.813   12.409   2.5888   12.409   2.5888   12.409   2.5888  873.365   97.813  873.365   97.813 -0.000000 0.000000 
1 1 1  -10    0   14 o  3062.10  129.293  148.224   12.347  148.224   12.347  148.224   12.347  3062.10  129.293  3062.10  129.293 -0.000000 0.000000 
1 1 1  -10    0   16 o  1688.09  102.667   45.246   5.3808   45.246   5.3808   45.246   5.3808  1688.09  102.667  1688.09  102.667 -0.000000 0.000000 
1 1 1  -10    0   18 o  2358.80  114.048   88.078   8.3787   88.078   8.3787   88.078   8.3787  2358.80  114.048  2358.80  114.048 -0.000000 0.000000 
1 1 1  -10    0   20 o  2627.39  119.983  109.271   9.8242  109.271   9.8242  109.271   9.8242  2627.39  119.983  2627.39  119.983 -0.000000 0.000000 
1 1 1  -10    0   22 o  2354.49  164.309   88.905   11.978   88.905   11.978   88.905   11.978  2354.49  164.309  2354.49  164.309 -0.000000 0.000000 
1 1 1  -10    0   24 o  400.144  176.712   3.6443   2.3276   3.6443   2.3276   3.6443   2.3276  400.144  176.712  400.144  176.712 -0.000000 0.000000 
1 1 1  -10    0   26 o  825.467  163.533   11.969   3.7563   11.969   3.7563   11.969   3.7563  825.467  163.533  825.467  163.533 -0.000000 0.000000 
1 1 1  -10    0   28 o  833.790  167.386   12.280   3.8751   12.280   3.8751   12.280   3.8751  833.790  167.386  833.790  167.386 -0.000000 0.000000 
1 1 1  -10    0   30 o  1947.01  156.389   61.619   9.3929   61.619   9.3929   61.619   9.3929  1947.01  156.389  1947.01  156.389 -0.000000 0.000000 
1 1 1  -10    0   32 o  5123.92  187.500  424.783   29.992  424.783   29.992  424.783   29.992  5123.92  187.500  5123.92  187.500 -0.000000 0.000000 
1 1 1  -10    0   34 o  218.527  129.445   0.8515   1.5324   0.8515   1.5324   0.8515   1.5324  218.527  129.445  218.527  129.445 -0.000000 0.000000 
1 1 1  -10    0   36 o  4179.59  161.169  282.139   21.021  282.139   21.021  282.139   21.021  4179.59  161.169  4179.59  161.169 -0.000000 0.000000 
1 1 1  -10    0   38 o  1747.76  108.101   48.980   5.8641   48.980   5.8641   48.980   5.8641  1747.76  108.101  1747.76  108.101 -0.000000 0.000000 
1 1 1  -10    0   40 o  3366.34  139.536  181.777   14.651  181.777   14.651  181.777   14.651  3366.34  139.536  3366.34  139.536 -0.000000 0.000000 
1 1 1  -10    0   42 o  3953.90  154.506  251.040   19.062  251.040   19.062  251.040   19.062  3953.90  154.506  3953.90  154.506 -0.000000 0.000000 
1 1 1  -10    0   44 o  334.711  192.200   2.3434   3.2101   2.3434   3.2101   2.3434   3.2101  334.711  192.200  334.711  192.200 -0.000000 0.000000 
1 1 1  -10    0   46 o  365.826  198.691   3.0912   3.2056   3.0912   3.2056   3.0912   3.2056  365.826  198.691  365.826  198.691 -0.000000 0.000000 
1 1 1  -10    0   48 o  1552.68  160.665   39.783   7.6197   39.783   7.6197   39.783   7.6197  1552.68  160.665  1552.68  160.665 -0.000000 0.000000 
1 1 1  -10    0   50 o  780.930  219.060   11.856   4.6362   11.856   4.6362   11.856   4.6362  780.930  219.060  780.930  219.060 -0.000000 0.000000 
1 1 1  -10    0   52 o  2804.01  185.423  129.153   16.117  129.153   16.117  129.153   16.117  2804.01  185.423  2804.01  185.423 -0.000000 0.000000 
1 1 1  -10    0   54 o  2345.57  173.393   91.121   12.575   91.121   12.575   91.121   12.575  2345.57  173.393  2345.57  173.393 -0.000000 0.000000 
1 1 1  -10    0   56 o  2340.61  176.346   91.836   12.756   91.836   12.756   91.836   12.756  2340.61  176.346  2340.61  176.346 -0.000000 0.000000 
1 1 1  -10    0   58 o  905.144  213.513   15.676   5.2558   15.676   5.2558   15.676   5.2558  905.144  213.513  905.144  213.513 -0.000000 0.000000 
1 1 1  -10    0   60 o  457.207  231.886   5.4217   4.1437   5.4217   4.1437   5.4217   4.1437  457.207  231.886  457.207  231.886 -0.000000 0.000000 
1 1 1  -10    0   62 o  1791.37  171.254   55.146   9.4043   55.146   9.4043   55.146   9.4043  1791.37  171.254  1791.37  171.254 -0.000000 0.000000 
1 1 1  -10    1    1 o  3379.64  134.299  179.877   14.212  191.992   20.119  167.811   20.079  3477.62  185.429  3247.29  198.424 230.3369 271.5808 
1 1 1  -10    1    3 o  1812.50  101.680   51.762   5.7474   55.895   8.1528   47.678   8.1036  1878.64  139.592  1732.43  150.891 146.2045 205.5576 
1 1 1  -10    1    5 o  2709.70  120.122  115.489   10.192  111.819   14.419  119.152   14.408  2653.97  174.482  2741.17  168.685 -87.20239 242.6907 
1 1 1  -10    1    7 o  1778.42  102.280   49.858   5.6716   49.338   8.0274   50.377   8.0144  1762.71  146.773  1781.60  144.919 -18.89612 206.2611 
1 1 1  -10    1    9 o  3185.60  106.939  159.576   10.667  161.070   18.482  158.830   13.062  3181.15  186.356  3174.62  131.406 6.531006 228.0262 
1 1 1  -10    1   11 o  2251.24   77.890   79.566   5.4906   84.144   7.7706   75.002   7.7592  2312.23  107.326  2179.34  114.101 132.8896 156.6456 
1 1 1  -10    1   13 o  1893.99   73.225   56.326   4.3426   58.352   6.1399   54.299   6.1429  1922.38  102.370  1853.61  106.280 68.76477 147.5638 
1 1 1  -10    1   15 o  4633.55  119.674  339.293   17.363  331.686   24.552  346.905   24.559  4558.77  171.996  4664.14  168.158 -105.3740 240.5407 
1 1 1  -10    1   17 o  1075.98   67.126   18.257   2.2503   20.808   3.1860   15.719   3.1788  1145.95   89.499  992.677  103.804 153.2736 137.0591 
1 1 1  -10    1   19 o  1514.61   70.222   36.063   3.3304   37.480   4.7118   34.648   4.7079  1538.03   98.353  1477.79  102.372 60.23657 141.9626 
1 1 1  -10    1   21 f  3691.37  118.259  216.153   13.669  220.038   23.680  214.211   16.739  3670.32  206.888  3662.28  145.973 8.042236 253.2012 
1 1 1  -10    1   23 o  603.567   86.583   5.8666   1.5895   3.5358   2.7932   6.9829   1.9330  479.257  159.277  657.523   96.779 -178.2663 186.3739 
1 1 1  -10    1   25 o  319.971   98.816   1.6244   1.0897   1.8884   1.8310   1.4797   1.3559  364.748  128.717  320.057  110.906 44.69110 169.9064 
1 1 1  -10    1   27 o  642.258  111.392   6.8015   2.1590   4.3248   2.9900   9.4993   3.1206  513.680  164.396  753.687  137.288 -240.0064 214.1826 
1 1 1  -10    1   29 o  619.458  115.035   6.4020   2.1492   5.9805   3.0622   6.8111   3.0171  587.689  161.445  627.772  154.526 -40.08350 223.4787 
1 1 1  -10    1   31 o  584.812   96.830   5.6459   1.7111   7.5150   2.0689   1.6000   3.0440  675.308  100.939  398.645  159.957 276.6630 189.1428 
1 1 1  -10    1   33 o  1725.51   73.510   47.552   3.9717   44.455   5.6012   50.683   5.6327  1645.73  109.316  1762.48  102.507 -116.7473 149.8593 
1 1 1  -10    1   35 o  280.581  101.577   1.1071   1.1479   1.2008   1.6349   1.0160   1.6121  311.629  119.520  301.081  117.800 10.54828 167.8149 
1 1 1  -10    1   37 o  1446.79   72.755   33.840   3.2855   37.901   4.6900   29.927   4.6040  1510.81   99.700  1332.46  111.368 178.3479 149.4752 
1 1 1  -10    1   39 o  533.274   95.648   4.8223   1.5385   6.3808   2.1776   3.2690   2.1739  603.971  119.375  431.353  140.378 172.6186 184.2721 
1 1 1  -10    1   41 f  4026.94  136.265  282.304   17.182  275.450   21.047  295.996   29.750  3856.16  174.311  3660.04  261.304 196.1138 314.1087 
1 1 1  -10    1   43 o  2110.67   93.668   73.638   6.1905   71.032   7.5852   78.838   10.713  2037.04  119.441  2064.78  167.128 -27.73767 205.4212 
1 1 1  -10    1   45 o  1335.73   87.614   29.614   3.6442   29.278   4.4589   30.289   6.3240  1307.20  109.956  1268.05  163.050 39.14978 196.6611 
1 1 1  -10    1   47 o  2285.15   97.850   88.488   7.0015   84.423   8.5591   96.711   12.173  2175.71  126.177  2201.25  178.131 -25.54175 218.2916 
1 1 1  -10    1   49 o  2516.75  133.995  116.884   10.521  119.096   14.936  114.704   14.824  2306.30  209.097  2251.78  212.763 54.51416 298.3115 
1 1 1  -10    1   51 o  560.237  155.323   6.6266   2.8196   8.2194   4.0963   5.1926   3.8869  577.811  192.920  474.687  183.691 103.1243 266.3838 
1 1 1  -10    1   53 o  2004.01  134.839   83.697   8.4120   77.324   11.897   90.067   11.896  1499.63  262.948  1755.23  221.361 -255.6024 343.7181 
1 1 1  -10    1   55 o  877.095  146.646   19.041   3.8853   13.675   5.4761   24.480   5.5133  495.841  208.298  824.629  212.265 -328.7882 297.3956 
1 1 1  -10    1   57 o  854.854  163.120   22.768   4.2070   23.803   5.9808   21.754   5.9189  545.964  222.358  507.578  215.065 38.38535 309.3478 
1 1 1  -10    1   59 o  341.950  149.409   6.8967   3.0300   9.8456   4.4956   4.4421   4.1015  318.182  153.117  267.646  132.395 50.53622 202.4190 
1 1 1  -10    1   61 o  ?   ?    57.677   9.7398   57.677   9.7398   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -10    1   63 o  391.479  191.007   69.905   7.6450   73.302   10.876   66.588   10.748  ?   ?   ?   ?  0.000000      ? 
1 1 1  -10    2    2 o  338.539   96.986   1.8410   1.0808   1.4626   1.5557   2.1941   1.5027  331.247  118.455  374.560  116.105 -43.31314 165.8674 
1 1 1  -10    2    4 o  907.248   92.895   13.058   2.6018   11.846   3.6842   14.263   3.6747  855.731  142.510  943.490  127.663 -87.75940 191.3293 
1 1 1  -10    2    6 o  4154.34  153.990  272.436   20.031  291.078   28.357  253.867   28.301  4278.56  211.661  3984.78  227.763 293.7764 310.9283 
1 1 1  -10    2    8 o  3305.53   94.686  171.647   9.8004  164.735   13.856  178.567   13.864  3232.36  136.896  3366.23  131.530 -133.8701 189.8439 
1 1 1  -10    2   10 o  2017.26   74.339   63.864   4.6957   66.408   6.6478   61.331   6.6336  2052.12  103.794  1971.33  107.876 80.79053 149.7011 
1 1 1  -10    2   12 o  2053.10   75.914   66.190   4.8804   65.012   6.9028   67.367   6.9009  2028.69  109.066  2065.54  107.065 -36.84741 152.8345 
1 1 1  -10    2   14 o  3250.30   94.118  166.301   9.5789  162.947   13.546  169.657   13.548  3208.22  134.839  3274.32  132.136 -66.10278 188.7899 
1 1 1  -10    2   16 o  2499.50   81.703   98.281   6.3945  103.263   9.0497   93.313   9.0367  2556.50  113.051  2429.06  118.810 127.4360 164.0011 
1 1 1  -10    2   18 o  1621.47   71.032   41.326   3.6065   38.649   5.0996   44.005   5.1010  1560.99  104.942  1667.37   98.135 -106.3828 143.6780 
1 1 1  -10    2   20 o  2509.37   95.469   99.379   7.5015  102.581   12.983   97.774   9.1909  2524.51  165.149  2483.75  118.177 40.75317 203.0765 
1 1 1  -10    2   22 o  4518.67  136.927  325.940   19.374  324.022   33.540  326.900   23.734  4408.75  243.903  4503.25  168.317 -94.49756 296.3428 
1 1 1  -10    2   24 o  1438.42   81.004   32.778   3.6336   36.007   6.3033   31.171   4.4468  1492.34  136.399  1397.70  102.317 94.64746 170.5100 
1 1 1  -10    2   26 o  1808.41   73.905   51.714   4.1849   53.284   5.9220   50.147   5.9148  1824.00  104.119  1768.07  107.345 55.92993 149.5450 
1 1 1  -10    2   28 o  1541.72  103.349   38.338   4.9603   39.563   7.0368   37.129   6.9932  1543.41  147.397  1492.26  151.777 51.15833 211.5703 
1 1 1  -10    2   30 o  318.133  104.491   1.5803   1.2035   1.5881   1.4537   1.5634   2.1456  328.298  114.775  358.204  137.029 -29.90576 178.7462 
1 1 1  -10    2   32 o  1349.48   82.515   29.274   3.4700   30.458   4.2331   26.849   6.0583  1368.65   99.456  1249.91  158.345 118.7460 186.9886 
1 1 1  -10    2   34 o  1984.70   89.381   63.697   5.5547   68.500   6.8112   54.158   9.5981  2041.87  106.903  1743.83  178.285 298.0411 207.8791 
1 1 1  -10    2   36 o  5727.97  188.137  608.269   33.744  611.447   41.338  601.922   58.415  5476.03  241.084  4490.23  420.362 985.7964 484.5887 
1 1 1  -10    2   38 o  885.015   88.566   12.947   2.4214   13.105   2.9784   12.640   4.1585  877.778  110.832  822.695  167.131 55.08282 200.5411 
1 1 1  -10    2   40 o  1686.42   88.428   46.730   4.6533   47.476   5.6960   45.234   8.0684  1679.69  108.885  1568.98  166.788 110.7092 199.1836 
1 1 1  -10    2   42 o  509.893  115.792   4.5488   1.8066   4.6377   2.2410   4.3838   3.0532  506.867  137.644  491.228  166.543 15.63934 216.0610 
1 1 1  -10    2   44 o  3300.87  117.065  186.326   12.100  184.981   14.833  189.001   20.918  3210.03  147.570  3002.80  224.089 207.2363 268.3148 
1 1 1  -10    2   46 o  4236.01  148.835  330.279   19.741  326.057   24.188  338.703   34.166  4011.80  192.548  3477.37  317.277 534.4229 371.1327 
1 1 1  -10    2   48 o  1525.14   90.682   39.260   4.3111   39.967   5.2803   37.846   7.4662  1510.01  112.482  1365.84  178.874 144.1729 211.3006 
1 1 1  -10    2   50 o  2327.99  101.979   94.376   7.4338   93.822   9.1134   95.478   12.851  2249.70  129.924  2058.93  201.923 190.7732 240.1113 
1 1 1  -10    2   52 o  1640.17  122.409   51.511   6.2414   41.808   8.8567   61.083   8.7968  1199.91  244.036  1646.03  173.277 -446.1218 299.2964 
1 1 1  -10    2   54 o  1321.06  130.842   37.943   5.3412   29.484   7.6285   46.076   7.4808  767.205  263.224  1268.33  194.576 -501.1224 327.3333 
1 1 1  -10    2   56 o  401.420  156.126   5.7333   2.8188   8.2140   4.1660   3.6386   3.8282  400.885  175.176  319.842  150.218 81.04385 230.7635 
1 1 1  -10    2   58 o  1085.88  177.291   43.201   5.8201   40.231   8.4017   45.941   8.0701  459.881  217.962  577.862  248.155 -117.9811 330.2854 
1 1 1  -10    2   60 o  ?   ?   150.870   18.242  150.870   18.242   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -10    2   62 o  280.003  142.175   28.947   6.6080   0.0000   0.0000   28.947   6.6080  ?   ?   280.003  142.175 0.000000 142.1748 
1 1 1  -10    3    1 o  3342.46  110.127  175.698   11.526  176.949   14.123  173.202   19.945  3350.64  134.610  3297.69  194.010 52.95190 236.1350 
1 1 1  -10    3    3 o  2714.69   97.300  115.769   8.2708  121.481   10.138  104.404   14.301  2778.83  116.518  2561.64  179.421 217.1975 213.9349 
1 1 1  -10    3    5 o  1239.90   66.990   24.178   2.5912   23.305   3.6566   25.059   3.6724  1214.15   96.989  1259.68   93.777 -45.52588 134.9112 
1 1 1  -10    3    7 o  1031.48   66.846   16.756   2.1474   17.265   3.0270   16.241   3.0468  1044.20   93.573  1012.00   97.351 32.19464 135.0298 
1 1 1  -10    3    9 o  1189.04   67.223   22.250   2.4926   22.399   3.5340   22.101   3.5161  1189.93   95.657  1181.90   95.833 8.029419 135.4040 
1 1 1  -10    3   11 f  3419.60  112.146  184.237   12.008  200.494   20.798  176.108   14.707  3542.40  188.176  3337.27  140.742 205.1196 234.9865 
1 1 1  -10    3   13 o  2219.29   77.814   77.387   5.4074   77.235   7.6442   77.540   7.6501  2213.12  110.310  2217.50  110.176 -4.383789 155.9069 
1 1 1  -10    3   15 o  940.499   67.722   13.963   1.9810   13.194   2.8088   14.725   2.7944  909.483  100.297  962.390   93.929 -52.90674 137.4124 
1 1 1  -10    3   17 o  1582.66   82.746   39.525   4.0864   42.442   7.0887   38.072   5.0010  1628.66  140.374  1549.76  103.653 78.89575 174.4956 
1 1 1  -10    3   19 o  2637.35   97.977  109.769   8.0911  119.935   14.009  104.680   9.9113  2732.56  164.498  2569.59  123.183 162.9680 205.5083 
1 1 1  -10    3   21 o  1000.07   79.582   15.852   2.4715   15.139   4.2195   16.224   3.0492  963.746  144.260  1008.73   97.766 -44.98505 174.2677 
1 1 1  -10    3   23 o  1070.28   68.693   18.108   2.2900   15.991   3.2277   20.254   3.2493  998.845  104.761  1127.89   92.829 -129.0486 139.9713 
1 1 1  -10    3   25 o  1538.81   81.395   37.572   3.9080   33.351   6.6971   39.751   4.8122  1425.78  152.368  1578.33   97.854 -152.5532 181.0842 
1 1 1  -10    3   27 o  2187.99   91.839   76.329   6.2920   73.075   10.924   77.944   7.6969  2091.39  168.241  2198.68  112.172 -107.2874 202.2068 
1 1 1  -10    3   29 o  1919.10   87.958   58.882   5.2856   65.161   6.4754   46.347   9.1496  2008.54  103.309  1641.23  181.053 367.3074 208.4538 
1 1 1  -10    3   31 o  3857.52  125.971  244.612   15.216  256.758   18.638  220.335   26.349  3909.52  152.247  3432.63  246.792 476.8926 289.9742 
1 1 1  -10    3   33 f  1235.24  101.754   24.955   3.9007   24.955   3.9007   0.0000   0.0000  1235.24  101.754  ?   ?  0.000000 101.7542 
1 1 1  -10    3   35 o  1159.85  103.763   22.262   3.7286   22.262   3.7286   0.0000   0.0000  1159.85  103.763  ?   ?  0.000000 103.7631 
1 1 1  -10    3   37 o  1664.77   87.149   45.354   4.5271   45.724   5.5634   44.628   7.7885  1652.54  108.112  1573.58  160.309 78.96252 193.3578 
1 1 1  -10    3   39 f  2606.34  101.681  112.855   8.2983  114.144   10.198  110.330   14.276  2581.35  126.169  2404.41  191.203 176.9421 229.0786 
1 1 1  -10    3   41 o  2383.21   98.857   93.943   7.3771   89.526   9.0458  102.714   12.747  2284.71  126.945  2360.68  173.669 -75.97095 215.1187 
1 1 1  -10    3   43 o  1393.46   87.392   31.948   3.7938   30.043   4.6416   35.782   6.5851  1330.31  112.482  1409.84  151.546 -79.53821 188.7282 
1 1 1  -10    3   45 o  2773.08  107.233  130.431   9.3112  132.008   11.426  127.314   16.065  2732.48  133.547  2486.06  208.286 246.4214 247.4230 
1 1 1  -10    3   47 o  1473.37   88.870   36.352   4.0808   37.468   5.0268   34.196   6.9887  1470.98  109.930  1316.83  173.733 154.1489 205.5911 
1 1 1  -10    3   49 o  578.006  117.752   6.0773   2.0588   6.7239   2.5501   4.8670   3.4889  592.507  139.723  485.929  176.908 106.5784 225.4312 
1 1 1  -10    3   51 f  2955.69  116.599  159.828   10.791  163.382   13.238  152.789   18.630  2863.15  148.167  2302.35  263.150 560.7974 301.9959 
1 1 1  -10    3   53 o  2366.82  107.373  106.473   7.9575   99.433   9.7645  120.392   13.731  2127.00  147.523  2017.83  220.923 109.1699 265.6498 
1 1 1  -10    3   55 o  ?   ?   290.338   30.722  290.338   30.722   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -10    3   57 o  1577.89  174.917   83.947   8.4968   83.179   12.160   84.679   11.877  622.315  283.423  683.807  297.351 -61.49255 410.7879 
1 1 1  -10    3   59 o  431.651  212.106   60.517   9.9459   60.517   9.9459   0.0000   0.0000  431.651  212.106  ?   ?  0.000000 212.1061 
1 1 1  -10    3   61 o  330.498  166.358   41.548   7.8523   0.0000   0.0000   41.548   7.8523  ?   ?   330.498  166.358 0.000000 166.3576 
1 1 1  -10    3   63 o  ?   ?    11.795   4.8071   0.0000   0.0000   11.795   4.8071  ?   ?   ?   ?  0.000000      ? 
1 1 1  -10    4    2 o  1086.95   76.448   18.632   2.5854   18.433   3.1690   19.028   4.4707  1078.99   94.756  1090.51  133.730 -11.51929 163.8975 
1 1 1  -10    4    4 o  2221.63   77.578   77.461   5.3967   74.658   7.6311   80.265   7.6331  2175.32  112.418  2258.94  107.914 -83.62305 155.8308 
1 1 1  -10    4    6 o  2254.51   77.647   79.780   5.4814   77.729   7.7478   81.836   7.7560  2219.55  111.840  2280.61  108.610 -61.06104 155.8982 
1 1 1  -10    4    8 o  2384.91   78.811   89.302   5.8854   85.665   8.3182   92.947   8.3283  2332.26  113.902  2429.91  109.458 -97.64966 157.9707 
1 1 1  -10    4   10 o  2433.97   80.111   93.054   6.1056   90.070   8.6325   96.042   8.6366  2390.44  115.330  2468.93  111.717 -78.49146 160.5668 
1 1 1  -10    4   12 o  1316.69   68.445   27.290   2.8122   27.426   3.9791   27.154   3.9749  1316.38   97.224  1309.77   97.621 6.609009 137.7769 
1 1 1  -10    4   14 o  4256.67  128.365  286.776   17.109  282.945   29.607  288.696   20.964  4174.72  227.348  4259.44  157.186 -84.71240 276.3953 
1 1 1  -10    4   16 o  2890.69  100.466  131.779   9.0936  130.365   15.721  132.490   11.148  2848.36  177.143  2893.24  123.053 -44.88574 215.6890 
1 1 1  -10    4   18 o  597.802   83.159   5.7320   1.5145   2.7198   2.5654   7.3434   1.8763  436.616  152.482  676.729   90.840 -240.1127 177.4899 
1 1 1  -10    4   20 o  1546.67   82.329   37.787   3.9728   37.671   4.8332   38.030   6.9760  1540.89  100.727  1537.04  146.726 3.849976 177.9730 
1 1 1  -10    4   22 o  1043.49   68.867   17.210   2.2375   18.304   3.1904   16.152   3.1389  1071.62   96.101  1005.17  101.099 66.45013 139.4866 
1 1 1  -10    4   24 o  1871.20   74.751   55.268   4.3798   57.119   6.2053   53.430   6.1827  1891.99  105.158  1828.59  108.465 63.39966 151.0730 
1 1 1  -10    4   26 f  297.542  110.389   1.1161   1.3688   0.0000   0.0000   1.1161   1.3688  ?   ?   297.542  110.389 0.000000 110.3891 
1 1 1  -10    4   28 o  1462.87   83.154   34.190   3.7932   32.956   4.6626   36.605   6.5232  1427.66  105.037  1486.21  141.896 -58.55615 176.5427 
1 1 1  -10    4   30 o  1070.64  101.948   18.641   3.3765   18.641   3.3765   0.0000   0.0000  1070.64  101.948  ?   ?  0.000000 101.9481 
1 1 1  -10    4   32 o  1302.75  103.254   27.685   4.1775   27.685   4.1775   0.0000   0.0000  1302.75  103.254  ?   ?  0.000000 103.2535 
1 1 1  -10    4   34 o  1373.15  103.627   30.987   4.4228   30.987   4.4228   0.0000   0.0000  1373.15  103.627  ?   ?  0.000000 103.6268 
1 1 1  -10    4   36 o  1084.82  102.773   19.576   3.4494   19.576   3.4494   0.0000   0.0000  1084.82  102.773  ?   ?  0.000000 102.7729 
1 1 1  -10    4   38 o  2514.94  126.949  108.304   9.9648  108.304   9.9648   0.0000   0.0000  2514.94  126.949  ?   ?  0.000000 126.9485 
1 1 1  -10    4   40 o  1850.64   88.955   55.983   5.1548   58.315   6.3590   51.516   8.8030  1866.29  109.293  1679.71  169.698 186.5795 201.8472 
1 1 1  -10    4   42 o  595.756  112.481   6.1175   2.0214   5.5785   2.5943   6.9503   3.2248  553.148  147.195  608.748  165.036 -55.59961 221.1408 
1 1 1  -10    4   44 o  2060.90   90.550   70.086   5.8434   74.566   7.1987   61.432   10.005  2098.26  109.949  1794.17  180.545 304.0883 211.3890 
1 1 1  -10    4   46 o  547.920  114.973   5.3271   1.9096   5.5090   2.3914   5.0070   3.1725  543.746  139.709  507.050  169.775 36.69550 219.8679 
1 1 1  -10    4   48 o  1625.03   92.738   44.600   4.6993   41.893   5.7894   49.828   8.0460  1535.74  121.381  1603.67  162.474 -67.93701 202.8083 
1 1 1  -10    4   50 f  3129.84  120.885  177.360   11.847  181.373   14.551  169.470   20.405  3041.28  153.291  2491.54  265.639 549.7354 306.6956 
1 1 1  -10    4   52 o  539.705  125.386   5.7902   2.0785   4.2156   2.6150   8.4916   3.4252  435.032  153.792  595.442  173.257 -160.4099 231.6676 
1 1 1  -10    4   54 o  846.018  142.152   16.405   3.6322   16.405   3.6322   0.0000   0.0000  846.018  142.152  ?   ?  0.000000 142.1517 
1 1 1  -10    4   56 o  1123.39  134.976   31.484   4.6529   37.381   6.5572   25.504   6.6033  948.629  224.286  587.372  235.626 361.2567 325.3054 
1 1 1  -10    4   60 o  318.537  154.227   12.950   4.7339   0.0000   0.0000   12.950   4.7339  ?   ?   318.537  154.227 0.000000 154.2273 
1 1 1  -10    4   62 o  244.179  119.102   5.2721   2.9660   1.4768   4.7480   7.7011   3.7984  ?   ?   245.934  122.609 0.000000 122.6087 
1 1 1  -10    5    1 o  2516.94   81.177   99.485   6.3977  105.399   9.0579   93.597   9.0374  2587.14  111.813  2437.13  118.426 150.0117 162.8707 
1 1 1  -10    5    3 o  2478.39   81.496   96.456   6.3245   98.234   8.9469   94.680   8.9414  2497.50  114.406  2451.64  116.475 45.86060 163.2635 
1 1 1  -10    5    5 o  2219.20   90.387   77.394   6.2809   75.761   7.6812   80.689   10.911  2190.60  112.360  2252.49  155.649 -61.88403 191.9675 
1 1 1  -10    5    7 o  1741.11   71.304   47.578   3.8874   49.225   5.5047   45.940   5.4904  1766.11   99.951  1705.48  103.299 60.63306 143.7385 
1 1 1  -10    5    9 o  1500.40   70.088   35.337   3.2928   36.305   4.6518   34.365   4.6616  1515.75   98.548  1474.08  101.615 41.66577 141.5532 
1 1 1  -10    5   11 o  3494.59  113.325  192.638   12.400  200.521   21.457  188.684   15.195  3534.72  194.611  3451.59  140.593 83.12305 240.0831 
1 1 1  -10    5   13 o  1733.26   83.987   47.249   4.5582   50.477   7.8532   45.609   5.5976  1778.51  142.207  1697.43  105.842 81.07776 177.2718 
1 1 1  -10    5   15 o  739.137   78.321   8.6850   1.7851   8.2853   3.0127   8.9012   2.2159  710.616  140.374  745.395   97.258 -34.77887 170.7747 
1 1 1  -10    5   17 o  1376.37   66.081   29.757   2.8479   29.473   4.0380   30.038   4.0172  1364.14   95.131  1377.44   93.696 -13.30249 133.5252 
1 1 1  -10    5   19 o  1233.73   79.592   24.058   3.0583   22.256   3.7275   27.770   5.3497  1182.79  101.632  1315.78  131.610 -132.9896 166.2837 
1 1 1  -10    5   21 f  823.466   70.546   10.748   1.8015   10.949   2.5721   10.555   2.5238  825.834  101.612  810.626  101.668 15.20764 143.7406 
1 1 1  -10    5   23 o  4531.00  138.162  329.704   19.602  332.294   24.028  324.548   33.895  4519.91  169.770  4368.74  248.809 151.1729 301.2107 
1 1 1  -10    5   25 o  1815.70   85.857   52.301   4.8813   51.955   6.0015   52.978   8.3904  1800.22  106.949  1797.68  150.441 2.541748 184.5824 
1 1 1  -10    5   27 o  2500.69   95.995   99.989   7.5167   99.671   9.2309  100.615   12.950  2483.05  118.725  2450.05  169.846 32.99731 207.2273 
1 1 1  -10    5   29 o  1613.39   83.159   41.621   4.1868   43.628   5.1501   37.710   7.1898  1644.12  100.522  1497.12  155.646 146.9978 185.2845 
1 1 1  -10    5   31 o  1700.82  105.445   47.020   5.5880   47.020   5.5880   0.0000   0.0000  1700.82  105.445  ?   ?  0.000000 105.4445 
1 1 1  -10    5   33 o  1626.80  104.965   43.302   5.3183   43.302   5.3183   0.0000   0.0000  1626.80  104.965  ?   ?  0.000000 104.9650 
1 1 1  -10    5   35 f  2181.69  114.887   79.332   7.8207   79.332   7.8207   0.0000   0.0000  2181.69  114.887  ?   ?  0.000000 114.8868 
1 1 1  -10    5   37 o  1595.55  108.503   42.532   5.3887   42.532   5.3887   0.0000   0.0000  1595.55  108.503  ?   ?  0.000000 108.5031 
1 1 1  -10    5   39 o  1258.77  109.648   26.567   4.2786   26.567   4.2786   0.0000   0.0000  1258.77  109.648  ?   ?  0.000000 109.6479 
1 1 1  -10    5   41 f  2344.24   93.978   90.137   6.8984   96.831   8.5049   77.264   11.794  2405.60  112.910  2033.40  187.342 372.2019 218.7364 
1 1 1  -10    5   43 o  3455.98  118.818  202.773   12.858  214.301   15.791  180.096   22.148  3488.24  144.577  2907.30  245.595 580.9390 284.9899 
1 1 1  -10    5   45 o  2384.52  100.622   95.343   7.5130   93.301   9.2425   99.320   12.899  2309.05  128.339  2262.66  183.648 46.38403 224.0480 
1 1 1  -10    5   47 f  1356.55   86.941   30.671   3.6735   28.746   4.5520   34.267   6.2206  1285.35  114.294  1359.25  148.574 -73.90552 187.4501 
1 1 1  -10    5   49 o  2276.95   98.031   88.526   6.9893   90.512   8.6013   84.666   11.992  2248.23  122.645  1996.70  194.265 251.5298 229.7404 
1 1 1  -10    5   51 o  2377.17  104.012  100.515   7.7422  104.853   9.5359   92.126   13.262  2348.04  130.209  1890.78  228.643 457.2578 263.1204 
1 1 1  -10    5   53 o  2866.47  188.884  216.408   16.859  223.953   23.855  208.880   23.828  1741.41  437.925  1492.69  462.271 248.7207 636.7672 
1 1 1  -10    5   55 o  694.576  142.240   11.852   2.9895   16.248   4.2190   7.4199   4.2365  712.570  186.807  411.862  178.339 300.7076 258.2672 
1 1 1  -10    5   57 f  747.220  282.852   56.548   9.0813   56.548   9.0813   0.0000   0.0000  747.220  282.852  ?   ?  0.000000 282.8520 
1 1 1  -10    5   59 o  854.245  130.074   20.848   3.3694   21.142   4.2119   20.325   5.6156  655.343  192.539  400.304  185.998 255.0396 267.7064 
1 1 1  -10    5   61 o  606.192  218.317   34.349   5.2931   28.483   7.8115   39.329   7.1972  ?   ?   364.344  179.307 0.000000 179.3070 
1 1 1  -10    6    2 o  1177.86   67.251   21.841   2.4700   22.638   3.4890   21.040   3.4974  1196.17   93.906  1152.38   97.849 43.78821 135.6199 
1 1 1  -10    6    4 o  4233.52  113.833  282.447   15.090  276.268   21.340  288.625   21.340  4172.57  163.335  4266.10  159.756 -93.53027 228.4734 
1 1 1  -10    6    6 o  3492.86   97.954  191.966   10.713  196.034   15.157  187.904   15.145  3521.17  137.470  3446.67  140.328 74.50220 196.4430 
1 1 1  -10    6    8 o  1814.75   84.960   51.767   4.8278   58.362   8.3448   48.449   5.9188  1915.40  140.109  1750.13  108.542 165.2664 177.2338 
1 1 1  -10    6   10 o  1614.07   81.580   41.052   4.1097   46.295   7.1237   38.437   5.0314  1705.36  134.497  1558.53  103.692 146.8363 169.8275 
1 1 1  -10    6   12 o  1213.09   78.336   23.224   2.9597   24.513   5.1063   22.572   3.6320  1237.33  133.935  1193.14   98.083 44.19189 166.0090 
1 1 1  -10    6   14 o  1398.85   69.593   30.735   3.0483   32.274   4.3092   29.194   4.3127  1428.04   96.944  1357.04  102.244 71.00574 140.8969 
1 1 1  -10    6   16 f  1482.50   81.280   34.677   3.7587   35.923   4.6281   32.264   6.4421  1506.26   98.673  1417.11  147.333 89.14429 177.3229 
1 1 1  -10    6   18 o  1987.59  107.106   62.612   6.6413   62.612   6.6413   0.0000   0.0000  1987.59  107.106  ?   ?  0.000000 107.1058 
1 1 1  -10    6   20 o  2271.95   92.790   81.500   6.6012   76.634   8.0969   91.146   11.399  2194.26  118.282  2380.61  153.746 -186.3464 193.9808 
1 1 1  -10    6   22 o  2723.28  100.819  117.611   8.5971  113.407   10.544  125.950   14.850  2664.47  126.378  2780.16  171.415 -115.6880 212.9660 
1 1 1  -10    6   24 o  2094.47   89.712   69.609   5.8836   69.043   7.2300   70.719   10.124  2075.56  111.657  2077.73  156.761 -2.169922 192.4610 
1 1 1  -10    6   26 o  1385.05   81.285   30.558   3.5098   31.795   4.3291   28.185   5.9958  1407.20   98.875  1303.68  149.586 103.5212 179.3106 
1 1 1  -10    6   28 o  2236.72   91.121   79.965   6.3819   82.272   7.8488   75.464   10.963  2257.57  111.031  2117.40  166.702 140.1646 200.2936 
1 1 1  -10    6   30 o  1107.25  103.107   19.934   3.5337   19.934   3.5337   0.0000   0.0000  1107.25  103.107  ?   ?  0.000000 103.1072 
1 1 1  -10    6   32 o  1735.33  104.716   49.070   5.6633   49.070   5.6633   0.0000   0.0000  1735.33  104.716  ?   ?  0.000000 104.7157 
1 1 1  -10    6   34 o  2530.23  122.944  106.698   9.7406  106.698   9.7406   0.0000   0.0000  2530.23  122.944  ?   ?  0.000000 122.9444 
1 1 1  -10    6   36 o  3922.33  168.555  274.973   20.702  274.973   20.702   0.0000   0.0000  3922.33  168.555  ?   ?  0.000000 168.5555 
1 1 1  -10    6   38 o  1432.38  107.620   34.172   4.7916   34.172   4.7916   0.0000   0.0000  1432.38  107.620  ?   ?  0.000000 107.6201 
1 1 1  -10    6   40 o  4060.92  173.283  297.144   22.034  297.144   22.034   0.0000   0.0000  4060.92  173.283  ?   ?  0.000000 173.2832 
1 1 1  -10    6   42 o  1670.68  109.876   46.729   5.7159   46.729   5.7159   0.0000   0.0000  1670.68  109.876  ?   ?  0.000000 109.8758 
1 1 1  -10    6   44 o  4055.06  137.671  288.399   17.481  293.000   21.450  279.302   30.162  3967.03  172.683  3445.79  282.017 521.2405 330.6858 
1 1 1  -10    6   46 o  1709.39   88.399   48.478   4.7154   51.193   5.8574   43.476   7.9487  1732.37  108.529  1508.09  171.368 224.2744 202.8438 
1 1 1  -10    6   48 o  847.968   97.744   12.279   2.5478   11.959   3.2392   12.799   4.1257  810.377  132.215  804.336  169.174 6.039917 214.7106 
1 1 1  -10    6   50 o  1439.85  111.055   36.881   4.9682   41.237   7.0256   32.524   7.0267  1438.21  158.646  1225.41  189.222 212.8037 246.9283 
1 1 1  -10    6   52 o  1613.78  118.272   49.945   5.9348   50.186   8.3518   49.699   8.4350  1427.02  191.763  1407.36  196.791 19.66431 274.7721 
1 1 1  -10    6   54 o  2658.59  121.574  149.594   10.121  154.902   12.443  139.219   17.397  2471.60  161.667  1253.43  396.063 1218.172 427.7877 
1 1 1  -10    6   56 o  316.351  126.262   2.6254   1.8857   1.8889   2.3797   3.8682   3.0915  287.704  128.699  334.300  148.291 -46.59567 196.3509 
1 1 1  -10    6   58 o  1657.50  119.191   69.559   6.1448   68.324   7.5813   71.923   10.491  1330.33  187.176  603.583  270.097 726.7442 328.6136 
1 1 1  -10    6   60 o  1625.63  133.391   82.827   6.7301   90.644   8.3502   68.336   11.370  1302.77  211.985  ?   ?  0.000000 211.9850 
1 1 1  -10    6   62 o  920.132  152.982   35.349   4.2529   38.385   5.3150   29.945   7.0909  596.287  218.157  ?   ?  0.000000 218.1573 
1 1 1  -10    7    1 o  1356.60   80.035   29.014   3.3847   31.063   4.1472   24.927   5.8575  1401.92   95.035  1244.77  153.536 157.1569 180.5687 
1 1 1  -10    7    3 o  1555.54   80.511   38.118   3.9081   35.323   4.7723   43.807   6.8095  1494.32  102.614  1659.77  132.117 -165.4480 167.2856 
1 1 1  -10    7    5 o  3382.33  137.538  180.974   14.566  187.716   20.564  174.184   20.636  3422.76  192.655  3293.32  201.081 129.4351 278.4771 
1 1 1  -10    7    7 o  1007.86   98.579   16.141   3.0712   18.092   4.2772   14.064   4.4125  1061.97  131.434  929.011  157.301 132.9612 204.9845 
1 1 1  -10    7    9 o  1771.04  147.167   50.058   8.0873   50.058   8.0873   0.0000   0.0000  1771.04  147.167  ?   ?  0.000000 147.1674 
1 1 1  -10    7   11 o  3250.39  132.717  167.187   13.508  167.187   13.508   0.0000   0.0000  3250.39  132.717  ?   ?  0.000000 132.7168 
1 1 1  -10    7   13 o  4032.35  126.506  257.211   15.973  249.678   19.573  272.231   27.637  3961.57  157.788  4103.16  215.868 -141.5930 267.3877 
1 1 1  -10    7   15 o  2162.36   88.979   73.616   6.0247   76.885   7.4012   67.197   10.372  2207.07  107.095  2046.34  163.232 160.7362 195.2281 
1 1 1  -10    7   17 o  583.534  112.874   5.5647   1.9878   5.5647   1.9878   0.0000   0.0000  583.534  112.874  ?   ?  0.000000 112.8737 
1 1 1  -10    7   19 o  788.316   81.541   9.8938   1.9837   9.0531   2.4539   11.479   3.3696  748.876  107.752  839.536  132.584 -90.65942 170.8474 
1 1 1  -10    7   21 o  968.123   80.954   14.892   2.4315   15.121   2.9990   14.453   4.1540  971.905   99.970  938.386  146.130 33.51898 177.0537 
1 1 1  -10    7   23 o  516.216   96.278   4.3647   1.4990   3.5601   1.8573   5.8684   2.5389  463.309  125.095  591.785  139.321 -128.4758 187.2412 
1 1 1  -10    7   25 o  528.309  117.869   4.6585   1.9003   4.1716   2.7803   5.0855   2.6034  504.080  158.202  548.636  148.096 -44.55624 216.7033 
1 1 1  -10    7   27 o  2589.19  176.749  113.025   14.244  113.025   14.244   0.0000   0.0000  2589.19  176.749  ?   ?  0.000000 176.7490 
1 1 1  -10    7   29 o  1592.47  150.117   42.371   7.3971   42.371   7.3971   0.0000   0.0000  1592.47  150.117  ?   ?  0.000000 150.1171 
1 1 1  -10    7   31 o  816.555  155.978   11.528   3.8427   11.528   3.8427   0.0000   0.0000  816.555  155.978  ?   ?  0.000000 155.9777 
1 1 1  -10    7   33 o  586.526  157.591   6.1089   2.9561   6.1089   2.9561   0.0000   0.0000  586.526  157.591  ?   ?  0.000000 157.5908 
1 1 1  -10    7   35 o  2652.25  191.540  128.946   15.800  128.946   15.800   0.0000   0.0000  2652.25  191.540  ?   ?  0.000000 191.5405 
1 1 1  -10    7   37 o  959.015  156.747   16.348   4.5443   16.348   4.5443   0.0000   0.0000  959.015  156.747  ?   ?  0.000000 156.7469 
1 1 1  -10    7   39 o  486.498  159.522   4.1259   2.8053   4.1259   2.8053   0.0000   0.0000  486.498  159.522  ?   ?  0.000000 159.5223 
1 1 1  -10    7   41 o  2015.48  168.973   72.881   10.565   72.881   10.565   0.0000   0.0000  2015.48  168.973  ?   ?  0.000000 168.9733 
1 1 1  -10    7   43 o  1754.19  111.058   51.732   6.0687   51.732   6.0687   0.0000   0.0000  1754.19  111.058  ?   ?  0.000000 111.0575 
1 1 1  -10    7   45 o  2861.45  111.208  138.711   9.9641  135.092   12.252  145.780   17.124  2755.45  142.487  2699.09  204.129 56.35449 248.9397 
1 1 1  -10    7   47 o  1867.21  113.267   60.032   6.5911   64.207   9.3733   55.948   9.2699  1842.94  164.148  1696.87  177.073 146.0627 241.4527 
1 1 1  -10    7   49 o  2193.15  122.698   85.980   8.3922   87.214   11.914   84.765   11.824  2047.30  187.943  2013.59  189.765 33.70557 267.0824 
1 1 1  -10    7   51 f  1124.70   91.229   22.082   3.1851   24.697   4.0645   17.920   5.1274  1158.14  113.541  871.345  193.011 286.7946 223.9305 
1 1 1  -10    7   53 o  1315.95   94.478   32.040   3.8671   36.241   4.8459   24.674   6.4172  1349.50  115.800  844.424  234.401 505.0789 261.4453 
1 1 1  -10    7   55 o  2134.26  110.238   95.779   7.3419   98.332   9.0659   90.914   12.515  1973.53  147.779  1131.91  331.705 841.6229 363.1347 
1 1 1  -10    7   57 o  851.695  112.675   16.715   2.9311   17.528   3.6875   15.321   4.8306  758.959  160.199  489.152  199.598 269.8069 255.9354 
1 1 1  -10    7   59 o  2078.72  242.024  255.849   15.458  272.313   19.006  223.668   26.572  792.776  358.384  ?   ?  0.000000 358.3843 
1 1 1  -10    7   61 o  1243.75  138.669   53.495   5.3085   53.099   6.6144   54.212   8.8984  739.943  245.062  355.892  178.876 384.0513 303.4003 
1 1 1  -10    8    2 o  3110.23  129.668  152.840   12.628  150.051   17.861  155.628   17.858  3061.30  187.225  3119.15  183.649 -57.85352 262.2596 
1 1 1  -10    8    4 f  374.632  132.801   1.9218   1.9512   1.9218   1.9512   0.0000   0.0000  374.632  132.801  ?   ?  0.000000 132.8006 
1 1 1  -10    8    6 o  1586.38  143.223   40.162   7.0377   40.162   7.0377   0.0000   0.0000  1586.38  143.223  ?   ?  0.000000 143.2231 
1 1 1  -10    8    8 o  1425.74  100.039   32.161   4.4378   32.161   4.4378   0.0000   0.0000  1425.74  100.039  ?   ?  0.000000 100.0392 
1 1 1  -10    8   10 f  1168.87   98.163   21.663   3.5595   21.663   3.5595   0.0000   0.0000  1168.87   98.163  ?   ?  0.000000 98.16296 
1 1 1  -10    8   12 o  2857.47  123.930  129.089   11.089  129.089   11.089   0.0000   0.0000  2857.47  123.930  ?   ?  0.000000 123.9298 
1 1 1  -10    8   14 o  1758.07  147.814   49.460   8.0616   49.460   8.0616   0.0000   0.0000  1758.07  147.814  ?   ?  0.000000 147.8141 
1 1 1  -10    8   16 o  536.383  144.678   4.7336   2.4858   4.7336   2.4858   0.0000   0.0000  536.383  144.678  ?   ?  0.000000 144.6782 
1 1 1  -10    8   18 o  3183.05  191.240  164.675   18.972  164.675   18.972   0.0000   0.0000  3183.05  191.240  ?   ?  0.000000 191.2397 
1 1 1  -10    8   20 o  1174.03  141.898   22.396   5.1106   22.396   5.1106   0.0000   0.0000  1174.03  141.898  ?   ?  0.000000 141.8985 
1 1 1  -10    8   22 o  2585.77  173.162  109.887   13.939  109.887   13.939   0.0000   0.0000  2585.77  173.162  ?   ?  0.000000 173.1619 
1 1 1  -10    8   26 o  1070.43  145.402   19.051   4.7474   19.051   4.7474   0.0000   0.0000  1070.43  145.402  ?   ?  0.000000 145.4022 
1 1 1  -10    8   28 o  1881.59  155.252   59.020   9.0653   59.020   9.0653   0.0000   0.0000  1881.59  155.252  ?   ?  0.000000 155.2520 
1 1 1  -10    8   30 o  1511.31  148.524   38.314   6.9378   38.314   6.9378   0.0000   0.0000  1511.31  148.524  ?   ?  0.000000 148.5237 
1 1 1  -10    8   32 o  1948.58  160.426   65.150   9.7014   65.150   9.7014   0.0000   0.0000  1948.58  160.426  ?   ?  0.000000 160.4256 
1 1 1  -10    8   34 o  1606.73  154.742   44.743   7.6889   44.743   7.6889   0.0000   0.0000  1606.73  154.742  ?   ?  0.000000 154.7416 
1 1 1  -10    8   36 o  1496.38  153.563   38.973   7.0933   38.973   7.0933   0.0000   0.0000  1496.38  153.563  ?   ?  0.000000 153.5629 
1 1 1  -10    8   38 f  482.871  155.515   4.0300   2.6725   4.0300   2.6725   0.0000   0.0000  482.871  155.515  ?   ?  0.000000 155.5147 
1 1 1  -10    8   40 o  2246.38  174.876   90.205   12.204   90.205   12.204   0.0000   0.0000  2246.38  174.876  ?   ?  0.000000 174.8759 
1 1 1  -10    8   42 o  2088.96  171.780   78.955   11.137   78.955   11.137   0.0000   0.0000  2088.96  171.780  ?   ?  0.000000 171.7801 
1 1 1  -10    8   44 f  4361.90  190.682  362.510   26.044  348.125   36.825  376.906   36.838  3725.60  318.737  3965.51  298.868 -239.9116 436.9386 
1 1 1  -10    8   46 o  2606.98  129.071  118.478   10.536  117.168   14.909  119.786   14.892  2429.11  197.723  2464.24  194.585 -35.12451 277.4127 
1 1 1  -10    8   48 o  648.593  134.554   7.7373   2.6431   7.9876   3.7052   7.4779   3.7715  623.361  179.859  599.989  183.600 23.37238 257.0184 
1 1 1  -10    8   50 o  1670.11  114.054   50.121   5.9288   53.366   8.4051   46.907   8.3644  1605.53  169.763  1472.20  185.570 133.3256 251.5072 
1 1 1  -10    8   52 o  1264.46  115.745   30.776   4.5319   29.135   6.4545   32.372   6.3646  1051.68  203.357  1156.70  181.715 -105.0151 272.7167 
1 1 1  -10    8   54 o  1423.14  125.708   43.818   5.5442   45.773   7.8596   41.881   7.8220  1164.14  223.743  1059.25  241.230 104.8878 329.0183 
1 1 1  -10    8   56 o  560.541  283.373  221.466   24.316  221.466   24.316   0.0000   0.0000  560.541  283.373  ?   ?  0.000000 283.3733 
1 1 1  -10    8   58 o  1633.73  202.077  111.625   10.117  107.455   14.258  115.853   14.358  515.120  253.290  557.978  269.766 -42.85748 370.0396 
1 1 1  -10    8   60 o  966.678  124.429   26.791   3.6789   29.599   4.6713   22.204   5.9699  798.401  189.665  366.194  176.276 432.2077 258.9324 
1 1 1  -10    9    1 o  1153.01  139.026   21.331   4.9181   0.0000   0.0000   21.331   4.9181  ?   ?   1153.01  139.026 0.000000 139.0260 
1 1 1  -10    9    3 o  2642.97  118.788  110.214   9.8306  104.307   13.894  116.137   13.911  2554.03  174.782  2698.44  165.440 -144.4033 240.6635 
1 1 1  -10    9    5 o  836.593   96.318   11.158   2.4771   14.006   3.5148   8.3476   3.4915  933.997  123.188  711.323  160.564 222.6742 202.3767 
1 1 1  -10    9    7 o  960.899   96.787   14.678   2.8725   14.396   4.1165   14.946   4.0102  942.911  143.992  962.588  136.906 -19.67633 198.6878 
1 1 1  -10    9    9 o  2570.09  117.679  104.274   9.4703  102.030   13.403  106.512   13.383  2525.44  170.485  2581.83  166.434 -56.38672 238.2550 
1 1 1  -10    9   11 o  1126.77   94.667   20.130   3.3091   23.185   4.7457   17.240   4.6166  1204.06  127.827  1032.32  146.970 171.7466 194.7818 
1 1 1  -10    9   13 o  1288.42   97.856   26.313   3.9184   28.225   5.5562   24.422   5.5267  1327.44  135.577  1231.45  146.183 95.98914 199.3757 
1 1 1  -10    9   15 o  1878.97  151.054   56.636   8.8122   56.636   8.8122   0.0000   0.0000  1878.97  151.054  ?   ?  0.000000 151.0544 
1 1 1  -10    9   17 o  1001.69  143.180   16.325   4.3631   16.325   4.3631   0.0000   0.0000  1001.69  143.180  ?   ?  0.000000 143.1799 
1 1 1  -10    9   19 o  1316.16  142.803   28.087   5.7908   28.087   5.7908   0.0000   0.0000  1316.16  142.803  ?   ?  0.000000 142.8029 
1 1 1  -10    9   21 o  2170.66  160.317   76.943   10.819   76.943   10.819   0.0000   0.0000  2170.66  160.317  ?   ?  0.000000 160.3173 
1 1 1  -10    9   25 o  1154.49  146.191   22.059   5.1664   22.059   5.1664   0.0000   0.0000  1154.49  146.191  ?   ?  0.000000 146.1913 
1 1 1  -10    9   27 o  952.495  144.213   15.155   4.1666   15.155   4.1666   0.0000   0.0000  952.495  144.213  ?   ?  0.000000 144.2126 
1 1 1  -10    9   29 o  353.746  132.872   1.5963   1.9952   1.5963   1.9952   0.0000   0.0000  353.746  132.872  ?   ?  0.000000 132.8719 
1 1 1  -10    9   31 o  1063.93  149.141   19.276   4.8320   19.276   4.8320   0.0000   0.0000  1063.93  149.141  ?   ?  0.000000 149.1415 
1 1 1  -10    9   33 o  2690.22  188.511  129.026   15.779  129.026   15.779   0.0000   0.0000  2690.22  188.511  ?   ?  0.000000 188.5112 
1 1 1  -10    9   35 o  429.799  157.470   2.7881   2.7706   2.7881   2.7706   0.0000   0.0000  429.799  157.470  ?   ?  0.000000 157.4700 
1 1 1  -10    9   37 o  1100.83  156.071   21.064   5.2291   21.064   5.2291   0.0000   0.0000  1100.83  156.071  ?   ?  0.000000 156.0714 
1 1 1  -10    9   39 o  382.288  145.037   1.9686   2.3912   1.9686   2.3912   0.0000   0.0000  382.288  145.037  ?   ?  0.000000 145.0372 
1 1 1  -10    9   41 o  3123.99  216.306  186.047   21.029  186.047   21.029   0.0000   0.0000  3123.99  216.306  ?   ?  0.000000 216.3057 
1 1 1  -10    9   43 o  727.238  119.351   9.0863   2.6235   10.828   3.6894   7.3048   3.7314  771.607  158.016  619.661  180.989 151.9458 240.2621 
1 1 1  -10    9   45 o  460.814  138.091   3.8032   2.1496   4.3875   2.9712   3.1616   3.1139  490.625  164.303  441.478  165.962 49.14697 233.5352 
1 1 1  -10    9   47 o  2149.14  119.095   79.796   7.9832   75.791   11.271   83.828   11.309  1970.35  184.853  2096.05  173.871 -125.6996 253.7751 
1 1 1  -10    9   49 o  2205.88  123.596   87.367   8.5026   82.899   12.015   91.849   12.034  1964.58  198.016  2105.26  184.411 -140.6748 270.5881 
1 1 1  -10    9   51 o  1443.39  115.971   38.984   5.1972   40.974   7.3049   36.944   7.3958  1344.91  177.822  1234.95  197.944 109.9581 266.0876 
1 1 1  -10    9   53 o  1263.90  121.549   32.686   4.7511   25.444   6.6833   40.084   6.7553  821.687  242.858  1252.10  177.254 -430.4147 300.6639 
1 1 1  -10    9   55 o  1169.44  342.170  100.627   13.326  100.627   13.326   0.0000   0.0000  1169.44  342.170  ?   ?  0.000000 342.1703 
1 1 1  -10    9   57 o  732.568  157.966   15.932   3.5169   16.092   4.8512   15.755   5.1059  519.447  204.024  482.861  201.878 36.58554 287.0204 
1 1 1  -10    9   59 o  862.672  160.014   25.109   4.1632   20.673   5.6580   30.346   6.1478  427.828  194.260  555.454  225.743 -127.6262 297.8203 
1 1 1  -10    9   61 o  282.549  139.592   10.011   4.5088   0.0000   0.0000   10.011   4.5088  ?   ?   282.549  139.592 0.000000 139.5916 
1 1 1  -10   10    2 o  553.524  109.203   4.9967   1.8255   5.2889   2.5770   4.7025   2.5863  567.014  144.673  536.595  148.757 30.41864 207.5065 
1 1 1  -10   10    4 o  4710.00  172.267  353.326   25.406  359.970   35.929  346.681   35.931  4707.98  244.561  4616.68  249.483 91.29639 349.3590 
1 1 1  -10   10    6 o  677.663  104.428   7.4023   2.1447   8.0333   3.0390   6.7761   3.0272  699.583  143.544  640.799  152.986 58.78424 209.7845 
1 1 1  -10   10    8 f  669.196  144.950   7.3710   2.9494   7.3710   2.9494   0.0000   0.0000  669.196  144.950  ?   ?  0.000000 144.9504 
1 1 1  -10   10   10 o  1201.26   97.278   22.882   3.6277   22.294   5.1345   23.467   5.1260  1177.18  142.177  1209.11  137.859 -31.93103 198.0387 
1 1 1  -10   10   12 o  983.346   97.136   15.390   2.9518   14.318   4.1839   16.453   4.1652  938.035  147.297  1009.74  135.126 -71.70929 199.8881 
1 1 1  -10   10   14 o  1603.83  101.175   40.782   5.0550   39.784   7.1592   41.776   7.1384  1573.06  147.052  1613.46  142.769 -40.40173 204.9565 
1 1 1  -10   10   16 o  3684.50  145.426  217.101   16.778  213.400   23.730  220.800   23.725  3605.99  211.086  3671.19  207.232 -65.20483 295.8080 
1 1 1  -10   10   18 o  1211.29   98.598   23.393   3.7072   25.656   5.2552   21.151   5.2304  1259.29  135.402  1137.57  150.538 121.7272 202.4726 
1 1 1  -10   10   20 f  1603.89  101.223   41.031   5.0575   45.477   7.1816   36.656   7.1236  1675.98  138.076  1497.34  154.138 178.6351 206.9383 
1 1 1  -10   10   22 o  1457.88  144.741   34.749   6.5200   0.0000   0.0000   34.749   6.5200  ?   ?   1457.88  144.741 0.000000 144.7407 
1 1 1  -10   10   24 o  1188.74   99.766   22.684   3.6792   20.501   5.2136   24.849   5.1928  1110.88  154.029  1231.67  136.963 -120.7928 206.1166 
1 1 1  -10   10   26 o  2143.52  111.943   74.017   7.4874   71.234   10.617   76.770   10.561  2068.92  165.266  2153.85  157.687 -84.93628 228.4253 
1 1 1  -10   10   28 o  3202.39  202.058  177.143   20.157  177.143   20.157   0.0000   0.0000  3202.39  202.058  ?   ?  0.000000 202.0577 
1 1 1  -10   10   30 o  1357.97  147.127   31.018   6.1560   31.018   6.1560   0.0000   0.0000  1357.97  147.127  ?   ?  0.000000 147.1271 
1 1 1  -10   10   32 o  3919.54  251.046  293.472   30.649  293.472   30.649   0.0000   0.0000  3919.54  251.046  ?   ?  0.000000 251.0462 
1 1 1  -10   10   34 o  1099.24  153.668   20.822   5.1446   20.822   5.1446   0.0000   0.0000  1099.24  153.668  ?   ?  0.000000 153.6676 
1 1 1  -10   10   36 o  3314.04  217.035  201.036   22.397  201.036   22.397   0.0000   0.0000  3314.04  217.035  ?   ?  0.000000 217.0348 
1 1 1  -10   10   38 o  1094.00  156.043   20.701   5.1939   20.701   5.1939   0.0000   0.0000  1094.00  156.043  ?   ?  0.000000 156.0429 
1 1 1  -10   10   40 o  3216.67  140.778  175.236   14.179  175.225   20.081  175.246   20.024  3074.34  209.858  3076.16  209.130 -1.813965 296.2693 
1 1 1  -10   10   42 o  498.801  135.163   4.3807   2.1636   4.3930   2.9657   4.3666   3.1636  499.221  164.034  499.686  169.527 -0.4647827 235.8950 
1 1 1  -10   10   44 o  1984.74  113.146   66.136   7.0025   64.315   9.8863   67.970   9.9199  1880.54  169.723  1941.09  164.766 -60.55432 236.5458 
1 1 1  -10   10   46 o  1566.82  108.720   41.443   5.3009   45.680   7.5041   37.224   7.4892  1591.56  152.442  1409.82  173.299 181.7328 230.8055 
1 1 1  -10   10   48 o  2220.20  121.806   86.705   8.4356   81.655   11.898   91.810   11.962  1999.24  192.436  2153.55  179.012 -154.3115 262.8244 
1 1 1  -10   10   50 o  928.981  120.196   16.000   3.4143   15.964   4.7198   16.039   4.9453  845.972  183.460  832.652  193.380 13.32092 266.5584 
1 1 1  -10   10   52 o  1484.41  120.254   43.389   5.5414   41.231   7.7892   45.601   7.8851  1223.62  210.914  1324.37  196.068 -100.7511 287.9710 
1 1 1  -10   10   54 o  1110.15  227.756   42.368   7.6516   42.368   7.6516   0.0000   0.0000  1110.15  227.756  ?   ?  0.000000 227.7558 
1 1 1  -10   10   56 o  1271.14  137.466   40.125   5.3844   40.194   7.5315   40.053   7.7006  863.030  258.445  823.368  263.859 39.66132 369.3446 
1 1 1  -10   10   58 o  475.416  165.249   9.0192   3.0113   7.0284   4.1286   11.282   4.4016  339.207  158.233  406.855  178.862 -67.64746 238.8080 
1 1 1  -10   10   60 o  421.252  205.365   49.191   8.7863   0.0000   0.0000   49.191   8.7863  ?   ?   421.252  205.365 0.000000 205.3650 
1 1 1  -10   11    1 o  597.290  110.394   5.8059   1.9886   4.5158   2.8054   7.1087   2.8192  529.236  157.565  657.285  141.193 -128.0491 211.5707 
1 1 1  -10   11    3 o  3104.56  129.747  152.541   12.613  161.138   17.848  143.965   17.826  3170.10  180.554  2991.53  191.308 178.5698 263.0561 
1 1 1  -10   11    5 o  2242.50  111.405   79.372   7.8226   80.387   11.061   78.356   11.065  2242.22  158.560  2212.93  160.786 29.29102 225.8170 
1 1 1  -10   11    7 o  387.908  135.765   2.1188   2.0342   2.1188   2.0342   0.0000   0.0000  387.908  135.765  ?   ?  0.000000 135.7647 
1 1 1  -10   11    9 o  1502.96   99.824   35.778   4.6711   33.468   6.5863   38.117   6.6258  1443.34  147.817  1543.50  138.569 -100.1545 202.6112 
1 1 1  -10   11   11 o  1417.30   98.775   31.849   4.3562   29.097   6.1327   34.652   6.1888  1343.59  148.237  1470.70  135.927 -127.1072 201.1230 
1 1 1  -10   11   13 o  562.612  112.631   5.1875   1.9150   4.9185   2.7684   5.4343   2.6518  547.101  154.700  572.714  147.097 -25.61255 213.4707 
1 1 1  -10   11   15 o  2617.23  119.339  108.878   9.7800  111.153   13.842  106.610   13.820  2619.49  169.671  2563.38  173.196 56.10547 242.4560 
1 1 1  -10   11   17 o  771.880  101.603   9.6033   2.3960   10.033   3.4178   9.1875   3.3599  778.655  145.529  743.380  149.526 35.27570 208.6540 
1 1 1  -10   11   19 f  705.443  104.102   8.0728   2.2304   10.657   3.2455   5.7603   3.0703  805.016  133.428  586.443  161.890 218.5732 209.7886 
1 1 1  -10   11   21 o  1417.78  144.316   32.805   6.3175   0.0000   0.0000   32.805   6.3175  ?   ?   1417.78  144.316 0.000000 144.3158 
1 1 1  -10   11   23 o  1411.48  100.870   31.895   4.4288   32.543   6.2743   31.252   6.2522  1409.99  144.141  1380.31  146.916 29.68103 205.8172 
1 1 1  -10   11   25 o  1798.10  105.773   51.896   5.9291   50.333   8.3937   53.453   8.3764  1746.36  155.112  1803.13  149.712 -56.77344 215.5768 
1 1 1  -10   11   27 o  2428.58  117.484   95.263   8.9341   91.768   12.649   98.742   12.620  2335.98  174.187  2430.31  166.847 -94.33862 241.2035 
1 1 1  -10   11   29 o  551.078  158.266   5.2232   2.8749   5.2232   2.8749   0.0000   0.0000  551.078  158.266  ?   ?  0.000000 158.2660 
1 1 1  -10   11   31 o  1380.73  102.484   30.981   4.3992   30.699   6.2321   31.261   6.2107  1346.84  150.340  1360.65  148.168 -13.80261 211.0829 
1 1 1  -10   11   33 o  735.410  116.392   9.0227   2.5910   4.6630   3.7081   13.182   3.6219  530.421  183.431  883.530  135.219 -353.1091 227.8840 
1 1 1  -10   11   35 o  1495.38  104.935   36.385   4.8824   36.061   6.9450   36.701   6.8651  1457.40  154.544  1472.93  150.984 -15.53015 216.0553 
1 1 1  -10   11   37 o  742.441  117.373   9.2081   2.6379   7.9966   3.7949   10.341   3.6694  668.444  178.100  770.368  157.436 -101.9238 237.7095 
1 1 1  -10   11   39 o  660.480  125.160   7.4235   2.4937   10.184   3.6493   5.0053   3.4156  760.700  158.357  537.117  176.016 223.5830 236.7669 
1 1 1  -10   11   41 o  2263.64  118.112   85.178   8.3428   79.390   11.803   90.957   11.794  2105.37  180.799  2275.39  166.688 -170.0164 245.9127 
1 1 1  -10   11   43 o  3181.76  142.149  174.005   14.162  169.788   20.061  178.195   19.996  2968.16  217.357  3059.88  209.969 -91.72461 302.2108 
1 1 1  -10   11   45 o  2366.63  121.457   95.056   8.9703   87.490   12.670  102.660   12.702  2154.74  189.722  2369.29  172.391 -214.5527 256.3457 
1 1 1  -10   11   47 o  1750.55  109.857   52.247   5.9912   44.384   8.3886   60.434   8.5596  1513.71  180.544  1817.96  151.754 -304.2535 235.8501 
1 1 1  -10   11   49 o  2604.76  136.482  126.995   11.093  120.953   15.650  133.096   15.726  2251.98  224.945  2414.12  210.137 -162.1384 307.8271 
1 1 1  -10   11   51 o  359.869  138.932   2.4834   2.2194   1.3821   2.8797   4.0945   3.4831  334.449  145.907  422.056  170.486 -87.60751 224.3974 
1 1 1  -10   11   53 o  411.696  165.516   4.6811   3.2662   4.6811   3.2662   0.0000   0.0000  411.696  165.516  ?   ?  0.000000 165.5163 
1 1 1  -10   11   55 o  515.586  157.937   7.5149   2.7900   6.1560   3.6430   9.4428   4.3391  408.676  170.663  467.829  189.826 -59.15277 255.2645 
1 1 1  -10   11   57 o  1377.15  144.322   50.888   6.1310   45.630   8.5456   56.464   8.8011  708.752  272.899  925.056  279.916 -216.3044 390.9304 
1 1 1  -10   11   59 o  1375.85  180.865   71.913   7.6031   69.439   10.650   74.486   10.858  523.219  247.208  548.391  256.080 -25.17230 355.9333 
1 1 1  -10   12    2 o  1334.25  100.024   28.240   4.1485   25.629   5.8426   30.894   5.8914  1259.92  151.113  1388.23  137.332 -128.3110 204.1936 
1 1 1  -10   12    4 o  588.196  115.035   5.6564   2.0428   4.5347   2.9391   6.7046   2.8412  531.425  161.973  636.862  145.642 -105.4375 217.8227 
1 1 1  -10   12    6 o  1724.96  103.379   47.142   5.5580   48.980   7.8586   45.303   7.8619  1748.63  144.830  1679.57  151.107 69.06677 209.3066 
1 1 1  -10   12    8 o  1227.01  141.387   24.264   5.3328   24.264   5.3328   0.0000   0.0000  1227.01  141.387  ?   ?  0.000000 141.3875 
1 1 1  -10   12   10 o  589.240  113.205   5.6789   2.0128   7.6132   2.7973   3.6021   2.8985  680.049  136.113  486.373  162.279 193.6760 211.8050 
1 1 1  -10   12   12 o  1356.56  143.036   29.702   5.9842   29.702   5.9842   0.0000   0.0000  1356.56  143.036  ?   ?  0.000000 143.0359 
1 1 1  -10   12   14 o  1134.16  143.200   20.898   4.9722   20.898   4.9722   0.0000   0.0000  1134.16  143.200  ?   ?  0.000000 143.2004 
1 1 1  -10   12   16 o  611.591  113.118   6.1301   2.0865   4.9701   2.9565   7.2809   2.9449  549.285  161.297  660.920  146.178 -111.6356 217.6802 
1 1 1  -10   12   18 o  1743.60  104.728   48.473   5.6913   47.375   8.0974   49.546   8.0008  1706.28  153.190  1747.54  147.594 -41.25830 212.7237 
1 1 1  -10   12   20 o  1568.11  146.786   40.029   7.1236   0.0000   0.0000   40.029   7.1236  ?   ?   1568.11  146.786 0.000000 146.7864 
1 1 1  -10   12   22 o  891.169  102.498   12.803   2.8081   9.8971   4.0009   15.624   3.9422  763.122  171.600  977.109  132.246 -213.9875 216.6462 
1 1 1  -10   12   24 o  1608.64  102.543   41.456   5.1382   43.640   7.3373   39.354   7.1978  1632.52  145.047  1547.11  150.485 85.40906 209.0080 
1 1 1  -10   12   26 o  3083.57  132.498  154.501   12.793  159.687   18.105  149.329   18.080  3072.93  189.077  2963.21  195.962 109.7227 272.3078 
1 1 1  -10   12   28 o  2543.88  120.279  105.058   9.5808  102.778   13.547  107.340   13.552  2460.81  176.990  2519.53  172.822 -58.72021 247.3723 
1 1 1  -10   12   30 o  785.491  110.567   10.164   2.6442   11.827   3.7220   8.4703   3.7572  833.544  148.026  693.934  173.403 139.6107 227.9917 
1 1 1  -10   12   32 o  876.995  109.477   12.622   2.9409   9.7725   4.1767   15.424   4.1415  742.593  181.221  956.677  142.612 -214.0842 230.6060 
1 1 1  -10   12   34 o  3137.93  135.602  162.070   13.324  161.957   18.855  162.183   18.831  3048.50  198.608  3051.32  198.160 -2.825195 280.5576 
1 1 1  -10   12   36 o  299.339  120.656   0.7416   1.7405   1.0694   2.4866   0.4267   2.4370  354.890  143.805  329.384  138.694 25.50641 199.7895 
1 1 1  -10   12   38 o  728.669  121.349   8.9122   2.6714   6.7156   3.8123   11.031   3.7444  613.888  183.883  797.145  155.596 -183.2565 240.8800 
1 1 1  -10   12   40 o  684.262  128.512   7.9968   2.6524   6.3044   3.8519   9.5229   3.6577  592.046  186.277  731.618  163.748 -139.5717 248.0174 
1 1 1  -10   12   42 o  1642.62  108.702   44.544   5.5594   40.238   7.8669   48.840   7.8576  1506.90  169.677  1681.33  150.857 -174.4321 227.0421 
1 1 1  -10   12   44 o  1624.63  110.374   43.951   5.5816   43.840   7.8947   44.062   7.8924  1569.14  163.060  1573.75  162.499 -4.616943 230.2055 
1 1 1  -10   12   46 o  598.865  144.299   6.5527   2.6739   6.1928   3.7705   6.9168   3.7926  564.805  184.928  594.180  184.495 -29.37476 261.2217 
1 1 1  -10   12   48 o  1314.97  109.924   30.155   4.4846   24.750   6.2181   36.013   6.4739  1091.43  188.779  1375.39  152.911 -283.9569 242.9387 
1 1 1  -10   12   50 o  484.133  146.162   4.8946   2.4017   1.2613   3.1600   9.8635   3.6955  346.791  152.025  657.965  175.955 -311.1741 232.5334 
1 1 1  -10   12   52 o  554.872  185.835   8.6055   3.8011   8.6055   3.8011   0.0000   0.0000  554.872  185.835  ?   ?  0.000000 185.8349 
1 1 1  -10   12   54 o  494.631  156.947   6.5167   2.7297   8.2347   3.5872   4.1536   4.2072  507.628  180.053  372.523  168.491 135.1053 246.5938 
1 1 1  -10   12   56 o  1417.61  138.541   49.320   6.0711   47.419   8.3807   51.419   8.8068  935.253  270.690  953.232  277.945 -17.97882 387.9779 
1 1 1  -10   12   58 o  918.893  159.434   25.646   4.4210   24.787   5.9777   26.684   6.5685  572.312  225.938  534.564  226.533 37.74829 319.9453 
1 1 1  -10   13    1 o  1181.43   97.739   22.186   3.5833   28.204   5.2552   16.957   4.8985  1326.60  128.107  1018.03  158.857 308.5627 204.0755 
1 1 1  -10   13    3 f  1854.33  154.464   55.323   8.8872   55.323   8.8872   0.0000   0.0000  1854.33  154.464  ?   ?  0.000000 154.4641 
1 1 1  -10   13    5 o  1499.47  102.020   35.689   4.7616   38.759   6.7351   32.622   6.7326  1553.89  139.924  1420.76  153.791 133.1334 207.9192 
1 1 1  -10   13    7 o  713.684  108.106   8.2364   2.3402   10.784   3.3520   5.8138   3.2687  812.446  136.611  593.653  168.181 218.7933 216.6741 
1 1 1  -10   13    9 o  1323.01   99.973   27.824   4.1110   30.053   5.8004   25.574   5.8272  1366.44  137.431  1255.72  151.243 110.7202 204.3568 
1 1 1  -10   13   11 o  903.603  149.876   13.404   4.0920   0.0000   0.0000   13.404   4.0920  ?   ?   903.603  149.876 0.000000 149.8755 
1 1 1  -10   13   13 o  1625.15  146.653   42.660   7.3824   42.660   7.3824   0.0000   0.0000  1625.15  146.653  ?   ?  0.000000 146.6527 
1 1 1  -10   13   15 o  1000.18  100.303   16.003   3.0990   14.084   4.3737   17.938   4.3916  923.236  156.909  1050.50  136.750 -127.2659 208.1370 
1 1 1  -10   13   17 o  1818.33  105.774   52.672   5.9964   50.994   8.4952   54.338   8.4652  1771.82  154.672  1831.76  148.876 -59.93420 214.6801 
1 1 1  -10   13   19 o  393.583  125.239   2.4388   1.7372   1.4209   2.5569   3.3115   2.3675  377.875  148.217  457.141  146.283 -79.26599 208.2468 
1 1 1  -10   13   21 o  2257.07  112.632   81.309   7.9602   83.334   11.280   79.300   11.235  2257.89  160.594  2200.18  164.264 57.70581 229.7240 
1 1 1  -10   13   23 o  1903.30  155.562   59.448   9.1900   59.448   9.1900   0.0000   0.0000  1903.30  155.562  ?   ?  0.000000 155.5619 
1 1 1  -10   13   25 o  1977.99  109.922   62.948   6.7813   61.713   9.5989   64.178   9.5814  1929.65  160.316  1970.52  156.576 -40.86548 224.0923 
1 1 1  -10   13   27 o  1837.00  107.595   54.431   6.1620   51.539   8.6793   57.369   8.7499  1757.01  159.496  1859.81  151.569 -102.8107 220.0281 
1 1 1  -10   13   29 o  1718.73  106.755   47.724   5.7169   48.182   8.0992   47.270   8.0707  1699.27  153.885  1682.29  154.953 16.98645 218.3831 
1 1 1  -10   13   31 f  2342.19  116.209   88.756   8.5227   86.809   12.048   90.707   12.058  2269.21  170.808  2323.57  166.843 -54.36743 238.7719 
1 1 1  -10   13   33 o  389.966  133.857   2.3135   1.9729   3.4049   2.8778   1.3457   2.7099  467.830  161.605  377.999  151.188 89.83136 221.3007 
1 1 1  -10   13   35 o  2213.88  115.457   79.590   7.9760   72.746   11.291   86.408   11.269  2068.05  176.034  2270.76  159.497 -202.7195 237.5445 
1 1 1  -10   13   37 o  1024.92  158.354   17.968   4.9182   17.968   4.9182   0.0000   0.0000  1024.92  158.354  ?   ?  0.000000 158.3541 
1 1 1  -10   13   39 o  3031.10  133.972  152.499   12.715  140.575   17.964  164.471   18.000  2798.66  206.453  3059.64  188.809 -260.9800 279.7704 
1 1 1  -10   13   41 o  1424.77  108.330   33.354   4.7967   25.733   6.7693   41.039   6.7980  1196.98  186.700  1556.69  140.995 -359.7079 233.9582 
1 1 1  -10   13   43 o  878.970  119.946   13.033   3.2150   13.529   4.4668   12.501   4.6312  865.953  170.801  822.807  184.329 43.14581 251.2973 
1 1 1  -10   13   45 o  2468.06  125.405  103.772   9.6595  104.516   13.657  103.028   13.665  2366.31  185.806  2345.73  187.609 20.57544 264.0472 
1 1 1  -10   13   47 o  2275.25  121.368   90.597   8.6155   70.204   12.108  111.514   12.262  1805.80  218.578  2427.08  162.283 -621.2791 272.2360 
1 1 1  -10   13   49 o  1483.99  116.785   39.936   5.3828   37.141   7.5499   42.825   7.6766  1294.94  192.016  1422.39  176.123 -127.4567 260.5562 
1 1 1  -10   13   51 o  336.877  136.462   1.9327   2.2383   0.7485   2.8507   3.8366   3.6145  316.277  141.214  413.034  171.028 -96.75717 221.7926 
1 1 1  -10   13   53 o  1289.15  125.686   34.273   5.0090   31.750   6.8326   37.205   7.3648  1017.86  220.736  1107.83  220.066 -89.97278 311.6945 
1 1 1  -10   13   55 o  528.182  194.087   10.691   4.2134   10.691   4.2134   0.0000   0.0000  528.182  194.087  ?   ?  0.000000 194.0874 
1 1 1  -10   13   57 o  469.226  166.254   7.8810   3.0577   10.985   3.8684   2.7129   4.9916  504.735  185.896  305.829  150.276 198.9058 239.0407 
1 1 1  -10   14    2 o  1312.05  144.539   27.793   5.8396   0.0000   0.0000   27.793   5.8396  ?   ?   1312.05  144.539 0.000000 144.5389 
1 1 1  -10   14    4 o  1802.78  150.652   52.313   8.4263   0.0000   0.0000   52.313   8.4263  ?   ?   1802.78  150.652 0.000000 150.6517 
1 1 1  -10   14    6 f  1127.21  102.775   20.256   3.5876   26.474   5.2383   14.763   4.9237  1283.15  132.271  943.885  172.968 339.2665 217.7461 
1 1 1  -10   14    8 o  743.229  179.484   9.2668   4.1298   9.2668   4.1298   0.0000   0.0000  743.229  179.484  ?   ?  0.000000 179.4835 
1 1 1  -10   14   10 o  411.092  149.475   2.2457   2.4896   0.0000   0.0000   2.2457   2.4896  ?   ?   411.092  149.475 0.000000 149.4751 
1 1 1  -10   14   14 o  1930.39  154.353   60.253   9.2519   60.253   9.2519   0.0000   0.0000  1930.39  154.353  ?   ?  0.000000 154.3531 
1 1 1  -10   14   16 o  1565.58  102.868   39.023   5.0148   38.049   7.0831   40.002   7.1008  1531.74  149.589  1572.21  145.901 -40.46313 208.9595 
1 1 1  -10   14   18 o  2355.55  114.224   88.358   8.4249   82.283   11.885   94.494   11.944  2244.40  170.392  2412.29  159.020 -167.8950 233.0684 
1 1 1  -10   14   20 o  2161.89  161.907   76.351   10.881   76.351   10.881   0.0000   0.0000  2161.89  161.907  ?   ?  0.000000 161.9067 
1 1 1  -10   14   24 o  315.200  135.121  -0.0001   2.3852  -0.0001   2.3852   0.0000   0.0000  315.200  135.121  ?   ?  0.000000 135.1212 
1 1 1  -10   14   26 o  995.108  108.284   16.057   3.3196   16.461   4.5865   15.611   4.8108  991.657  152.600  959.713  166.100 31.94409 225.5574 
1 1 1  -10   14   28 o  291.941  126.852  -0.2346   2.1583  -0.2346   2.1583   0.0000   0.0000  291.941  126.852  ?   ?  0.000000 126.8519 
1 1 1  -10   14   30 o  1939.21  110.095   60.560   6.6576   63.277   9.4121   57.839   9.4183  1956.25  154.922  1864.61  162.949 91.63770 224.8407 
1 1 1  -10   14   32 o  1646.10  107.073   43.635   5.4889   44.888   7.7202   42.355   7.8055  1647.33  151.362  1595.88  158.288 51.44263 219.0106 
1 1 1  -10   14   34 o  953.316  110.657   14.808   3.2417   15.707   4.5684   13.896   4.6008  964.406  156.658  900.568  169.371 63.83838 230.7126 
1 1 1  -10   14   36 f  880.012  115.532   12.736   3.1066   9.8942   4.3100   15.809   4.4818  748.439  184.971  965.984  153.292 -217.5447 240.2350 
1 1 1  -10   14   38 o  506.266  141.884   4.3810   2.3395   1.5015   3.1952   7.7084   3.4348  402.861  163.094  662.889  165.879 -260.0279 232.6272 
1 1 1  -10   14   40 o  1029.76  112.941   17.481   3.5819   18.517   5.0257   16.412   5.1066  1035.35  160.194  964.845  175.491 70.50354 237.6114 
1 1 1  -10   14   42 o  2206.49  117.306   80.402   8.0756   76.755   11.382   84.100   11.460  2090.18  175.528  2198.57  167.732 -108.3921 242.7842 
1 1 1  -10   14   44 o  2007.84  116.143   67.416   7.2707   68.173   10.271   66.655   10.294  1950.50  169.863  1924.63  172.648 25.86646 242.1996 
1 1 1  -10   14   46 o  760.663  136.861   10.428   3.1399   8.4768   4.2118   12.869   4.7111  642.852  193.440  799.581  190.819 -156.7288 271.7188 
1 1 1  -10   14   48 o  871.268  132.202   14.081   3.4934   10.864   4.7782   17.776   5.1204  679.879  206.365  916.920  184.730 -237.0408 276.9688 
1 1 1  -10   14   50 o  1362.07  190.908   42.903   7.9185   42.903   7.9185   0.0000   0.0000  1362.07  190.908  ?   ?  0.000000 190.9085 
1 1 1  -10   14   52 f  1976.51  127.618   78.380   7.8560   62.938   10.888   95.152   11.347  1369.38  263.486  1944.68  188.712 -575.3040 324.0942 
1 1 1  -10   14   54 o  641.401  157.208   10.139   3.1328   8.4924   4.0166   12.697   5.0060  500.666  188.436  570.451  211.213 -69.78552 283.0526 
1 1 1  -10   14   56 o  1105.53  143.381   29.996   4.8465   29.721   6.4354   30.356   7.3667  833.099  235.971  698.353  256.633 134.7458 348.6297 
1 1 1  -10   15    1 o  1298.32  101.060   26.795   4.0761   33.819   5.9650   20.642   5.5829  1452.28  132.636  1123.67  163.466 328.6083 210.5076 
1 1 1  -10   15    3 o  744.339  156.140   9.1846   3.5230   0.0000   0.0000   9.1846   3.5230  ?   ?   744.339  156.140 0.000000 156.1399 
1 1 1  -10   15    5 o  2065.25  157.285   68.677   10.095   0.0000   0.0000   68.677   10.095  ?   ?   2065.25  157.285 0.000000 157.2851 
1 1 1  -10   15    7 f  920.750  147.888   13.865   4.1194   0.0000   0.0000   13.865   4.1194  ?   ?   920.750  147.888 0.000000 147.8879 
1 1 1  -10   15    9 o  398.443  148.898   1.9441   2.4992   0.0000   0.0000   1.9441   2.4992  ?   ?   398.443  148.898 0.000000 148.8977 
1 1 1  -10   15   13 o  1200.71  159.865   23.563   5.8611   23.563   5.8611   0.0000   0.0000  1200.71  159.865  ?   ?  0.000000 159.8655 
1 1 1  -10   15   15 o  687.659  127.616   7.7719   2.6467   5.1916   4.0429   9.7071   3.5013  575.755  191.635  764.745  151.571 -188.9903 244.3313 
1 1 1  -10   15   17 o  990.572  107.869   15.764   3.2917   20.862   4.8382   11.371   4.4915  1132.61  139.364  820.808  179.735 311.7991 227.4359 
1 1 1  -10   15   19 o  1217.68  101.123   23.706   3.8208   19.045   5.3304   28.632   5.4795  1071.71  164.065  1329.44  133.430 -257.7312 211.4727 
1 1 1  -10   15   21 o  1934.74  108.863   59.897   6.5683   54.885   9.2776   64.933   9.3004  1826.96  163.921  1995.82  149.915 -168.8612 222.1364 
1 1 1  -10   15   23 o  1715.21  154.098   48.309   8.1879   48.309   8.1879   0.0000   0.0000  1715.21  154.098  ?   ?  0.000000 154.0981 
1 1 1  -10   15   25 o  747.946  168.457   9.5422   3.8504   9.5422   3.8504   0.0000   0.0000  747.946  168.457  ?   ?  0.000000 168.4569 
1 1 1  -10   15   27 o  2821.38  184.750  132.844   16.231  132.844   16.231   0.0000   0.0000  2821.38  184.750  ?   ?  0.000000 184.7502 
1 1 1  -10   15   29 o  3857.34  226.891  255.131   27.284  255.131   27.284   0.0000   0.0000  3857.34  226.891  ?   ?  0.000000 226.8908 
1 1 1  -10   15   31 o  1002.31  110.924   16.272   3.4230   14.978   4.6926   17.743   5.0040  942.597  165.001  1029.66  160.434 -87.05865 230.1398 
1 1 1  -10   15   33 o  4681.30  179.213  365.648   26.270  348.821   37.147  382.482   37.155  4396.18  271.178  4634.95  257.013 -238.7646 373.6218 
1 1 1  -10   15   35 o  3041.75  132.839  150.776   12.652  143.635   17.869  157.954   17.916  2894.92  198.328  3048.76  188.603 -153.8401 273.6883 
1 1 1  -10   15   37 o  1637.88  109.152   43.476   5.5659   39.341   7.7587   47.860   7.9892  1524.96  165.122  1692.35  152.398 -167.3953 224.7006 
1 1 1  -10   15   39 o  2982.14  132.813  146.354   12.402  137.469   17.510  155.299   17.568  2798.79  201.140  2995.17  188.279 -196.3774 275.5112 
1 1 1  -10   15   41 o  1233.10  113.914   25.024   4.3486   24.132   6.0163   26.000   6.2928  1178.69  167.742  1223.35  168.771 -44.65881 237.9523 
1 1 1  -10   15   43 o  473.170  152.754   3.8505   2.5773   4.8824   3.3472   2.3480   4.0390  526.591  174.327  451.100  183.108 75.49109 252.8208 
1 1 1  -10   15   45 o  777.685  142.321   10.863   3.3380   10.668   4.5531   11.090   4.9081  730.002  195.347  736.073  205.233 -6.071350 283.3393 
1 1 1  -10   15   47 o  1164.29  122.128   24.117   4.3861   23.310   6.0437   25.015   6.3753  1064.13  188.270  1096.89  192.648 -32.75891 269.3677 
1 1 1  -10   15   49 o  844.004  144.765   13.969   3.6881   16.003   4.9586   11.452   5.5175  839.674  192.682  646.201  223.737 193.4731 295.2706 
1 1 1  -10   15   51 o  1020.95  137.283   20.949   4.2775   19.525   5.7286   22.743   6.4306  849.921  215.077  892.477  228.983 -42.55640 314.1517 
1 1 1  -10   15   53 o  945.105  145.283   19.518   4.1618   17.652   5.5293   21.957   6.3213  733.395  221.855  792.986  236.614 -59.59064 324.3546 
1 1 1  -10   15   55 o  626.492  164.536   10.462   3.2692   5.9661   4.0406   18.983   5.5630  410.470  175.912  688.683  224.582 -278.2132 285.2758 
1 1 1  -10   16    2 o  523.802  135.238   4.5299   2.2334   8.4510   3.7908   2.4452   2.7640  711.385  172.061  431.193  157.389 280.1913 233.1868 
1 1 1  -10   16    4 o  628.190  124.952   6.4798   2.3713   11.434   3.7528   3.1867   3.0595  834.313  149.126  472.815  166.435 361.4975 223.4707 
1 1 1  -10   16    6 o  1311.30  105.127   27.366   4.2802   30.035   6.3073   25.087   5.8273  1363.15  150.267  1243.73  152.849 119.4115 214.3434 
1 1 1  -10   16    8 f  929.349  108.179   13.851   3.0891   15.489   4.6426   12.550   4.1382  971.510  158.047  872.617  157.234 98.89374 222.9383 
1 1 1  -10   16   12 f  1378.95  148.749   30.792   6.3211   0.0000   0.0000   30.792   6.3211  ?   ?   1378.95  148.749 0.000000 148.7491 
1 1 1  -10   16   16 o  1182.98  152.102   22.879   5.5037   0.0000   0.0000   22.879   5.5037  ?   ?   1182.98  152.102 0.000000 152.1017 
1 1 1  -10   16   18 o  717.930  172.078   8.7153   3.8179   0.0000   0.0000   8.7153   3.8179  ?   ?   717.930  172.078 0.000000 172.0780 
1 1 1  -10   16   20 o  2408.63  116.244   92.641   8.7672  100.239   12.490   85.262   12.309  2478.19  161.852  2277.62  173.906 200.5693 237.5697 
1 1 1  -10   16   22 o  551.361  184.429   4.8048   3.7437   4.8048   3.7437   0.0000   0.0000  551.361  184.429  ?   ?  0.000000 184.4290 
1 1 1  -10   16   24 o  381.833  144.647   1.7427   2.3761   3.9369   3.3581  -0.4570   3.3624  507.987  174.624  361.289  157.638 146.6972 235.2515 
1 1 1  -10   16   26 o  1680.70  108.126   45.185   5.6601   45.750   7.8852   44.584   8.1297  1674.15  152.077  1649.24  159.412 24.91455 220.3170 
1 1 1  -10   16   28 o  899.534  169.322   13.608   4.5942   13.608   4.5942   0.0000   0.0000  899.534  169.322  ?   ?  0.000000 169.3217 
1 1 1  -10   16   30 o  2166.34  165.364   77.152   11.132   77.152   11.132   0.0000   0.0000  2166.34  165.364  ?   ?  0.000000 165.3636 
1 1 1  -10   16   32 o  2159.88  165.785   77.067   11.127   77.067   11.127   0.0000   0.0000  2159.88  165.785  ?   ?  0.000000 165.7853 
1 1 1  -10   16   34 o  2180.07  116.320   76.668   7.9117   76.314   11.096   77.034   11.284  2142.30  166.733  2150.79  168.904 -8.489990 237.3358 
1 1 1  -10   16   36 o  2126.26  117.441   73.208   7.7887   81.681   10.914   64.413   11.119  2216.97  158.256  1947.42  184.545 269.5518 243.1091 
1 1 1  -10   16   38 o  1648.15  159.428   45.592   8.1249   45.592   8.1249   0.0000   0.0000  1648.15  159.428  ?   ?  0.000000 159.4285 
1 1 1  -10   16   40 o  1296.26  166.020   28.801   6.5837   28.801   6.5837   0.0000   0.0000  1296.26  166.020  ?   ?  0.000000 166.0197 
1 1 1  -10   16   42 o  2037.43  116.004   68.561   7.3701   61.212   10.262   76.392   10.592  1860.65  178.313  2099.95  162.348 -239.3040 241.1476 
1 1 1  -10   16   44 o  338.884  142.508   0.7599   2.5675  -1.7849   3.1593   5.7100   4.4062  304.605  140.822  553.960  199.223 -249.3550 243.9683 
1 1 1  -10   16   46 o  1095.77  126.816   21.273   4.2708   17.833   5.6827   25.738   6.4740  924.222  202.003  1132.69  189.209 -208.4635 276.7766 
1 1 1  -10   16   48 o  784.203  154.698   12.111   3.6637   8.4824   4.7821   17.267   5.7006  593.221  208.129  861.277  212.651 -268.0556 297.5538 
1 1 1  -10   16   50 o  1273.76  196.019   37.702   7.5675   37.702   7.5675   0.0000   0.0000  1273.76  196.019  ?   ?  0.000000 196.0193 
1 1 1  -10   16   52 o  595.478  179.819   8.9879   3.6348   12.054   4.6706   4.2787   5.7882  647.298  205.287  420.175  192.929 227.1231 281.7168 
1 1 1  -10   16   54 o  1281.53  145.492   36.799   5.7348   43.817   7.6609   27.854   8.6491  1237.73  204.833  675.589  270.143 562.1381 339.0187 
1 1 1  -10   17    1 o  1892.55  161.869   57.838   9.5001   57.838   9.5001   0.0000   0.0000  1892.55  161.869  ?   ?  0.000000 161.8692 
1 1 1  -10   17    3 o  1961.14  113.611   61.135   6.9467   67.362   9.7661   54.759   9.8833  2046.53  153.520  1836.97  173.893 209.5577 231.9632 
1 1 1  -10   17    5 o  2548.55  121.828  103.111   9.7221  111.841   13.703   94.261   13.796  2633.48  167.039  2409.11  184.280 224.3733 248.7189 
1 1 1  -10   17    7 o  466.212  179.585   2.4074   3.7018   0.0000   0.0000   2.4074   3.7018  ?   ?   466.212  179.585 0.000000 179.5851 
1 1 1  -10   17    9 o  2535.48  113.134  101.948   8.9820  127.614   12.864   77.531   12.547  2821.24  146.118  2180.74  185.508 640.4983 236.1438 
1 1 1  -10   17   11 o  1572.33  106.041   39.339   5.1903   42.704   7.5476   36.321   7.1489  1625.81  149.949  1496.82  154.764 128.9952 215.4917 
1 1 1  -10   17   13 o  1886.41  104.138   56.560   6.1274   72.830   8.8593   41.640   8.4839  2131.59  133.404  1595.92  172.517 535.6705 218.0800 
1 1 1  -10   17   15 o  661.783  135.055   7.2479   2.7039   10.812   4.4326   5.1360   3.4122  800.593  181.061  562.641  175.048 237.9515 251.8435 
1 1 1  -10   17   23 o  2249.57  167.952   82.465   11.745   0.0000   0.0000   82.465   11.745  ?   ?   2249.57  167.952 0.000000 167.9524 
1 1 1  -10   17   25 o  963.856  183.627   15.615   5.3396   0.0000   0.0000   15.615   5.3396  ?   ?   963.856  183.627 0.000000 183.6267 
1 1 1  -10   17   27 o  3249.49  199.275  174.627   20.178  174.627   20.178   0.0000   0.0000  3249.49  199.275  ?   ?  0.000000 199.2755 
1 1 1  -10   17   29 o  524.732  166.643   4.4412   3.0769   5.8830   4.7185   3.3745   4.0584  610.076  207.036  507.555  189.729 102.5207 280.8223 
1 1 1  -10   17   31 f  508.661  160.508   4.1951   2.8580   3.3826   4.0695   4.9859   4.0147  506.674  189.872  562.844  190.974 -56.16922 269.3000 
1 1 1  -10   17   33 o  710.092  200.107   8.7187   4.6401   8.7187   4.6401   0.0000   0.0000  710.092  200.107  ?   ?  0.000000 200.1071 
1 1 1  -10   17   35 o  2656.29  181.576  118.128   15.012  118.128   15.012   0.0000   0.0000  2656.29  181.576  ?   ?  0.000000 181.5761 
1 1 1  -10   17   37 o  367.288  147.646   1.1753   2.5986  -1.3205   3.2733   5.4295   4.2736  332.536  149.675  577.733  197.030 -245.1970 247.4333 
1 1 1  -10   17   39 o  4047.61  248.707  299.341   31.369  299.341   31.369   0.0000   0.0000  4047.61  248.707  ?   ?  0.000000 248.7071 
1 1 1  -10   17   41 o  1637.96  164.420   46.337   8.3191   46.337   8.3191   0.0000   0.0000  1637.96  164.420  ?   ?  0.000000 164.4203 
1 1 1  -10   17   43 o  1680.91  118.734   47.509   6.2091   46.280   8.5108   48.907   9.0788  1599.97  172.613  1635.39  180.290 -35.41077 249.5990 
1 1 1  -10   17   45 o  1251.46  178.951   30.016   6.8128   30.016   6.8128   0.0000   0.0000  1251.46  178.951  ?   ?  0.000000 178.9511 
1 1 1  -10   17   47 o  454.313  181.971   3.6514   3.9318   3.6514   3.9318   0.0000   0.0000  454.313  181.971  ?   ?  0.000000 181.9708 
1 1 1  -10   17   49 o  887.708  206.602   18.439   5.6351   18.439   5.6351   0.0000   0.0000  887.708  206.602  ?   ?  0.000000 206.6019 
1 1 1  -10   17   51 o  377.815  160.526   2.4118   3.3125   7.5272   3.9775  -9.1666   5.9841  541.522  189.824  299.604  150.046 241.9178 241.9654 
1 1 1  -10   17   53 o  1229.02  150.884   33.029   5.6846   38.689   7.4123   24.946   8.8579  1204.53  203.795  674.966  272.147 529.5621 339.9945 
1 1 1  -10   18    6 o  596.291  189.653   5.6898   3.9841   5.6898   3.9841   0.0000   0.0000  596.291  189.653  ?   ?  0.000000 189.6531 
1 1 1  -10   18    8 f  2222.88  117.554   78.616   8.1531   83.662   11.462   73.448   11.600  2277.34  161.784  2127.43  175.710 149.9165 238.8474 
1 1 1  -10   18   10 o  332.956  139.109   0.3755   2.4220   0.5265   3.2791   0.1943   3.5928  386.597  161.720  393.524  167.190 -6.927338 232.6063 
1 1 1  -10   18   12 f  336.842  143.368   0.0685   2.6507   2.3550   3.5351  -2.8682   4.0063  457.417  175.674  347.414  159.885 110.0036 237.5381 
1 1 1  -10   18   14 o  1217.99  115.978   23.757   4.3698   26.165   6.1088   21.234   6.2534  1267.47  157.302  1132.15  182.612 135.3217 241.0210 
1 1 1  -10   18   16 o  561.568  167.696   5.1564   3.1742   0.0000   0.0000   5.1564   3.1742  ?   ?   561.568  167.696 0.000000 167.6960 
1 1 1  -10   18   18 o  615.605  168.886   6.3069   3.3536   0.0000   0.0000   6.3069   3.3536  ?   ?   615.605  168.886 0.000000 168.8863 
1 1 1  -10   18   20 o  1458.12  113.585   33.929   5.1451   37.820   7.3799   30.249   7.1768  1527.54  156.501  1359.29  172.500 168.2417 232.9141 
1 1 1  -10   18   22 o  1043.40  187.008   18.149   5.8854   18.149   5.8854   0.0000   0.0000  1043.40  187.008  ?   ?  0.000000 187.0075 
1 1 1  -10   18   24 o  2444.66  173.651   97.089   13.206   0.0000   0.0000   97.089   13.206  ?   ?   2444.66  173.651 0.000000 173.6512 
1 1 1  -10   18   28 o  2137.54  167.950   74.539   11.151   0.0000   0.0000   74.539   11.151  ?   ?   2137.54  167.950 0.000000 167.9504 
1 1 1  -10   18   34 o  698.771  207.589   8.3863   4.8735   8.3863   4.8735   0.0000   0.0000  698.771  207.589  ?   ?  0.000000 207.5886 
1 1 1  -10   18   36 o  950.616  146.999   15.042   4.2344   19.803   5.8564   9.8269   6.1296  1079.38  179.588  748.411  234.905 330.9664 295.6891 
1 1 1  -10   18   38 o  730.647  169.654   9.2538   3.8069   8.2956   5.1105   10.448   5.7062  686.074  214.352  760.873  224.267 -74.79932 310.2298 
1 1 1  -10   18   40 o  1012.44  198.184   18.518   6.0579   18.518   6.0579   0.0000   0.0000  1012.44  198.184  ?   ?  0.000000 198.1842 
1 1 1  -10   18   42 o  429.650  178.698   1.7139   3.9712   1.7139   3.9712   0.0000   0.0000  429.650  178.698  ?   ?  0.000000 178.6982 
1 1 1  -10   18   44 o  972.181  147.973   16.949   4.3624   16.305   5.6388   17.908   6.8847  902.984  204.213  908.616  238.839 -5.632568 314.2409 
1 1 1  -10   18   46 o  1565.63  183.415   48.332   8.8213   48.332   8.8213   0.0000   0.0000  1565.63  183.415  ?   ?  0.000000 183.4155 
1 1 1  -10   18   48 o  730.378  220.210   12.934   5.4542   12.934   5.4542   0.0000   0.0000  730.378  220.210  ?   ?  0.000000 220.2099 
1 1 1  -10   18   50 o  927.602  219.636   21.492   6.2808   21.492   6.2808   0.0000   0.0000  927.602  219.636  ?   ?  0.000000 219.6357 
1 1 1  -10   18   52 o  351.004  156.723   1.4118   3.5113   1.0188   4.0826   2.5286   6.8826  355.034  162.654  412.612  196.059 -57.57806 254.7460 
1 1 1  -10   19    1 o  1703.22  114.812   46.113   6.0874   44.501   8.6228   47.715   8.5951  1658.72  168.352  1720.26  161.454 -61.54492 233.2596 
1 1 1  -10   19    3 o  940.984  134.607   14.343   3.8531   16.322   5.5140   12.454   5.3865  992.419  184.223  860.725  203.130 131.6935 274.2265 
1 1 1  -10   19    5 o  829.761  143.668   11.264   3.5976   14.919   5.1375   7.7470   5.0394  948.902  179.482  689.133  212.455 259.7686 278.1202 
1 1 1  -10   19    7 o  968.750  188.546   15.611   5.5136   15.611   5.5136   0.0000   0.0000  968.750  188.546  ?   ?  0.000000 188.5460 
1 1 1  -10   19    9 o  1295.24  164.002   27.261   6.5025   27.261   6.5025   0.0000   0.0000  1295.24  164.002  ?   ?  0.000000 164.0023 
1 1 1  -10   19   13 o  1059.93  182.468   18.554   5.8375   18.554   5.8375   0.0000   0.0000  1059.93  182.468  ?   ?  0.000000 182.4682 
1 1 1  -10   19   15 o  1644.23  167.163   43.737   8.4867   0.0000   0.0000   43.737   8.4867  ?   ?   1644.23  167.163 0.000000 167.1631 
1 1 1  -10   19   17 o  1656.54  115.604   43.653   5.9588   51.346   8.3816   35.791   8.4732  1787.71  151.148  1479.52  187.079 308.1899 240.5085 
1 1 1  -10   19   19 o  1009.71  197.834   17.023   6.0311   17.023   6.0311   0.0000   0.0000  1009.71  197.834  ?   ?  0.000000 197.8342 
1 1 1  -10   19   21 o  1419.96  117.745   32.172   5.1880   31.960   7.4260   32.375   7.2510  1400.26  173.049  1411.21  167.354 -10.94739 240.7354 
1 1 1  -10   19   23 o  651.236  207.571   6.8352   4.7705   0.0000   0.0000   6.8352   4.7705  ?   ?   651.236  207.571 0.000000 207.5713 
1 1 1  -10   19   25 o  1276.12  123.439   26.130   4.8708   18.525   6.9181   33.606   6.8591  1044.57  218.530  1439.61  154.581 -395.0356 267.6766 
1 1 1  -10   19   27 o  2859.95  188.154  133.734   16.756  133.734   16.756   0.0000   0.0000  2859.95  188.154  ?   ?  0.000000 188.1543 
1 1 1  -10   19   29 o  1581.33  177.727   41.136   8.6478   41.136   8.6478   0.0000   0.0000  1581.33  177.727  ?   ?  0.000000 177.7270 
1 1 1  -10   19   33 o  782.746  218.355   10.601   5.5543   0.0000   0.0000   10.601   5.5543  ?   ?   782.746  218.355 0.000000 218.3551 
1 1 1  -10   19   35 o  2869.59  192.945  137.840   17.236   0.0000   0.0000  137.840   17.236  ?   ?   2869.59  192.945 0.000000 192.9446 
1 1 1  -10   19   37 o  634.181  227.418   6.4505   5.7377   0.0000   0.0000   6.4505   5.7377  ?   ?   634.181  227.418 0.000000 227.4178 
1 1 1  -10   19   41 o  1561.34  186.182   43.895   8.9228   43.895   8.9228   0.0000   0.0000  1561.34  186.182  ?   ?  0.000000 186.1824 
1 1 1  -10   19   43 o  1528.32  132.234   40.146   6.2658   41.570   8.6192   38.550   9.1247  1490.10  188.977  1403.36  214.458 86.73486 285.8401 
1 1 1  -10   19   45 o  1313.18  138.631   30.630   5.6142   32.826   7.5484   27.911   8.3989  1294.44  192.057  1121.26  245.982 173.1765 312.0786 
1 1 1  -10   19   47 o  375.495  173.204  -0.8948   4.7395  -0.8948   4.7395   0.0000   0.0000  375.495  173.204  ?   ?  0.000000 173.2040 
1 1 1  -10   19   49 o  1566.51  138.450   46.062   6.7212   46.173   8.9135   45.915   10.233  1443.44  202.808  1336.46  253.810 106.9789 324.8853 
1 1 1  -10   19   51 o  608.162  216.656   10.437   5.1994   10.437   5.1994   0.0000   0.0000  608.162  216.656  ?   ?  0.000000 216.6563 
1 1 1  -10   20    2 o  1835.85  116.588   53.445   6.6673   57.704   9.4841   49.285   9.3748  1897.24  161.171  1749.00  173.469 148.2411 236.7862 
1 1 1  -10   20    4 o  1061.73  130.437   18.105   4.2452   16.028   6.0708   20.093   5.9387  981.228  204.231  1108.54  177.047 -127.3158 270.2885 
1 1 1  -10   20    6 o  1550.27  166.944   38.740   7.9761   0.0000   0.0000   38.740   7.9761  ?   ?   1550.27  166.944 0.000000 166.9439 
1 1 1  -10   20    8 o  449.586  185.843   0.9951   4.2573   0.9951   4.2573   0.0000   0.0000  449.586  185.843  ?   ?  0.000000 185.8433 
1 1 1  -10   20   10 o  1076.41  130.882   18.610   4.3206   16.611   6.0513   20.689   6.1711  999.956  200.245  1123.83  181.556 -123.8697 270.2975 
1 1 1  -10   20   12 o  2006.24  169.332   64.678   10.538   0.0000   0.0000   64.678   10.538  ?   ?   2006.24  169.332 0.000000 169.3320 
1 1 1  -10   20   16 o  793.908  205.976   10.541   5.1643   10.541   5.1643   0.0000   0.0000  793.908  205.976  ?   ?  0.000000 205.9758 
1 1 1  -10   20   20 o  1082.84  198.851   19.474   6.4939   19.474   6.4939   0.0000   0.0000  1082.84  198.851  ?   ?  0.000000 198.8511 
1 1 1  -10   20   22 o  1913.32  122.809   58.282   7.3187   62.876   10.172   53.352   10.539  1974.36  166.072  1809.73  188.750 164.6307 251.4096 
1 1 1  -10   20   24 f  1082.87  146.340   19.039   4.8349   19.753   6.5450   18.181   7.1732  1087.99  199.469  1034.66  227.596 53.32666 302.6344 
1 1 1  -10   20   26 o  2056.16  122.914   67.420   7.8774   69.630   11.026   65.117   11.258  2072.14  171.478  1999.17  181.832 72.97461 249.9355 
1 1 1  -10   20   28 o  832.753  160.529   11.509   4.0341   8.9945   5.6096   14.201   5.8056  734.112  223.772  914.514  207.500 -180.4018 305.1724 
1 1 1  -10   20   30 f  1877.85  121.075   56.378   7.0813   55.770   9.8666   57.024   10.169  1848.22  172.482  1867.49  175.980 -19.27026 246.4121 
1 1 1  -10   20   32 o  1056.17  235.600   19.386   7.5935   19.386   7.5935   0.0000   0.0000  1056.17  235.600  ?   ?  0.000000 235.5995 
1 1 1  -10   20   34 o  421.310  194.276  -3.8942   5.9559  -3.8942   5.9559   0.0000   0.0000  421.310  194.276  ?   ?  0.000000 194.2763 
1 1 1  -10   20   36 o  596.906  194.053   5.9522   4.1545   1.9973   5.8414   10.001   5.9100  520.924  216.701  750.865  229.842 -229.9409 315.8903 
1 1 1  -10   20   40 o  1673.00  194.268   50.293   9.9875   0.0000   0.0000   50.293   9.9875  ?   ?   1673.00  194.268 0.000000 194.2684 
1 1 1  -10   20   42 o  936.204  256.038   18.576   7.7219   0.0000   0.0000   18.576   7.7219  ?   ?   936.204  256.038 0.000000 256.0383 
1 1 1  -10   20   44 o  550.841  229.720   4.8405   6.5878   0.0000   0.0000   4.8405   6.5878  ?   ?   550.841  229.720 0.000000 229.7203 
1 1 1  -10   20   48 o  786.873  246.939   15.963   6.7740   15.963   6.7740   0.0000   0.0000  786.873  246.939  ?   ?  0.000000 246.9388 
1 1 1  -10   20   50 o  620.061  210.276   9.6788   4.8673   8.2508   6.0004   12.426   8.3226  553.576  223.713  605.905  255.779 -52.32892 339.8094 
1 1 1  -10   21    1 o  611.706  185.182   6.0136   3.8513   4.8928   5.4576   7.1255   5.4356  606.637  221.199  677.456  222.049 -70.81934 313.4240 
1 1 1  -10   21    3 o  1401.02  124.998   31.233   5.4260   37.671   7.6580   24.743   7.6890  1532.01  162.101  1227.03  207.524 304.9792 263.3306 
1 1 1  -10   21    5 o  1628.52  171.168   42.632   8.5978   42.632   8.5978   0.0000   0.0000  1628.52  171.168  ?   ?  0.000000 171.1683 
1 1 1  -10   21    7 f  1010.89  199.841   16.896   6.1015   16.896   6.1015   0.0000   0.0000  1010.89  199.841  ?   ?  0.000000 199.8413 
1 1 1  -10   21    9 o  1235.62  128.375   24.380   4.8944   34.225   6.8860   14.327   6.9579  1461.22  152.757  924.540  238.702 536.6826 283.3960 
1 1 1  -10   21   11 o  1334.15  121.810   28.336   5.0326   22.860   6.9224   34.475   7.3292  1181.04  193.921  1464.06  162.623 -283.0283 253.0837 
1 1 1  -10   21   13 o  707.480  220.774   8.0403   5.4232   0.0000   0.0000   8.0403   5.4232  ?   ?   707.480  220.774 0.000000 220.7743 
1 1 1  -10   21   15 o  529.786  172.835   4.3273   3.2946   1.0486   4.5464   7.9534   4.7811  464.207  191.980  697.203  205.223 -232.9962 281.0212 
1 1 1  -10   21   17 o  456.629  173.693   2.3747   3.4350   9.1349   4.7237  -5.2117   5.0041  741.381  199.219  364.207  171.276 377.1747 262.7236 
1 1 1  -10   21   27 o  1140.76  212.270   21.828   7.3033   21.828   7.3033   0.0000   0.0000  1140.76  212.270  ?   ?  0.000000 212.2703 
1 1 1  -10   21   29 o  2544.70  185.156  105.482   14.652  105.482   14.652   0.0000   0.0000  2544.70  185.156  ?   ?  0.000000 185.1564 
1 1 1  -10   21   31 o  1675.96  134.584   45.217   7.0032   46.145   9.4275   44.074   10.461  1674.28  182.795  1623.09  210.812 51.19214 279.0266 
1 1 1  -10   21   33 o  1039.29  180.421   18.184   5.6584   14.117   8.1520   21.965   7.8603  891.002  269.348  1122.39  231.348 -231.3863 355.0633 
1 1 1  -10   21   35 o  506.294  198.182   2.9963   4.5643   5.4719   6.8165   0.9843   6.1453  631.057  243.521  510.428  217.798 120.6286 326.7089 
1 1 1  -10   21   37 o  2210.06  197.271   84.719   13.508   84.719   13.508   0.0000   0.0000  2210.06  197.271  ?   ?  0.000000 197.2710 
1 1 1  -10   21   39 o  822.021  238.674   13.023   6.5062   13.023   6.5062   0.0000   0.0000  822.021  238.674  ?   ?  0.000000 238.6742 
1 1 1  -10   21   41 o  361.947  173.046  -5.7019   5.5337  -5.7019   5.5337   0.0000   0.0000  361.947  173.046  ?   ?  0.000000 173.0461 
1 1 1  -10   21   43 o  561.071  206.064   5.6892   4.7486  -0.6997   6.3552   13.765   7.1450  453.194  205.817  795.838  254.069 -342.6442 326.9737 
1 1 1  -10   21   49 o  758.875  284.567   19.082   9.1438   0.0000   0.0000   19.082   9.1438  ?   ?   758.875  284.567 0.000000 284.5670 
1 1 1  -10   22    2 o  834.856  175.853   11.482   4.4519   13.447   6.3230   9.5496   6.2691  898.438  225.197  769.526  236.916 128.9122 326.8682 
1 1 1  -10   22    4 o  493.108  183.768   2.9709   3.8017   3.6180   5.3971   2.3336   5.3560  568.250  217.344  531.852  212.613 36.39795 304.0442 
1 1 1  -10   22    8 o  1022.48  209.138   17.311   6.4701   17.311   6.4701   0.0000   0.0000  1022.48  209.138  ?   ?  0.000000 209.1377 
1 1 1  -10   22   10 o  1142.90  136.187   20.933   4.7778   21.182   6.9069   20.704   6.6160  1135.17  201.704  1123.54  195.138 11.62903 280.6479 
1 1 1  -10   22   12 o  1414.45  124.681   31.826   5.4656   33.898   7.5904   29.595   7.8767  1450.58  170.353  1348.78  191.916 101.8021 256.6164 
1 1 1  -10   22   14 o  956.420  154.163   14.866   4.4599   9.1103   6.3290   20.543   6.2857  754.560  238.935  1120.59  185.639 -366.0262 302.5755 
1 1 1  -10   22   16 o  1040.37  146.154   17.483   4.6299   20.411   6.5026   14.472   6.5936  1114.48  193.347  929.224  228.262 185.2571 299.1429 
1 1 1  -10   22   18 o  633.373  175.377   6.5957   3.5970  -1.9021   5.6550   12.370   4.6616  449.784  199.989  865.177  178.013 -415.3940 267.7393 
1 1 1  -10   22   20 o  713.244  168.132   8.4312   3.6937   9.2009   5.6562   7.8589   4.8772  748.891  223.904  694.127  208.000 54.76379 305.6093 
1 1 1  -10   22   22 f  733.567  208.960   8.9090   5.0317   0.0000   0.0000   8.9090   5.0317  ?   ?   733.567  208.960 0.000000 208.9598 
1 1 1  -10   22   24 o  524.584  188.808   3.7713   3.9583   6.4659   6.1061   1.8182   5.1986  665.980  235.050  509.697  207.416 156.2827 313.4806 
1 1 1  -10   22   26 f  1909.55  180.547   59.103   10.667   59.103   10.667   0.0000   0.0000  1909.55  180.547  ?   ?  0.000000 180.5470 
1 1 1  -10   22   30 o  2221.10  185.111   80.796   12.757   80.796   12.757   0.0000   0.0000  2221.10  185.111  ?   ?  0.000000 185.1112 
1 1 1  -10   22   32 o  1260.65  212.702   27.133   8.0974   27.133   8.0974   0.0000   0.0000  1260.65  212.702  ?   ?  0.000000 212.7016 
1 1 1  -10   22   34 o  974.835  262.715   17.434   8.2006   17.434   8.2006   0.0000   0.0000  974.835  262.715  ?   ?  0.000000 262.7146 
1 1 1  -10   22   36 o  666.391  230.668   7.5544   5.8644   6.0066   8.4380   9.0007   8.1563  666.418  266.702  729.677  269.714 -63.25897 379.3094 
1 1 1  -10   22   38 o  2368.84  142.317   93.382   10.507  103.376   14.780   83.172   14.940  2430.19  195.901  2142.00  226.169 288.1868 299.2144 
1 1 1  -10   22   40 o  662.356  216.721   8.1160   5.1788   13.509   6.5385  -0.9618   8.4833  831.199  238.669  525.696  238.378 305.5033 337.3235 
1 1 1  -10   22   42 o  1238.66  158.520   26.922   6.0072   27.513   8.2021   26.237   8.8228  1187.75  228.838  1131.04  255.189 56.71716 342.7658 
1 1 1  -10   22   44 o  461.132  197.684   1.8129   5.1054   3.9243   6.5076  -1.5670   8.2334  537.711  226.539  487.778  226.148 49.93356 320.0986 
1 1 1  -10   22   46 o  338.692  166.371  -8.8114   6.1029  -8.8114   6.1029   0.0000   0.0000  338.692  166.371  ?   ?  0.000000 166.3711 
1 1 1  -10   23    1 o  1321.13  139.426   27.862   5.6806   22.743   8.2803   32.414   7.8078  1171.44  233.929  1417.80  179.921 -246.3590 295.1180 
1 1 1  -10   23    3 o  449.428  199.535  -1.8996   5.6091  -1.8996   5.6091   0.0000   0.0000  449.428  199.535  ?   ?  0.000000 199.5345 
1 1 1  -10   23    5 o  658.450  234.634   6.0401   6.0985   6.0401   6.0985   0.0000   0.0000  658.450  234.634  ?   ?  0.000000 234.6337 
1 1 1  -10   23    7 o  416.651  188.604  -2.8683   5.2840   0.0000   0.0000  -2.8683   5.2840  ?   ?   416.651  188.604 0.000000 188.6043 
1 1 1  -10   23    9 o  951.258  224.477   15.066   6.5785   0.0000   0.0000   15.066   6.5785  ?   ?   951.258  224.477 0.000000 224.4765 
1 1 1  -10   23   13 o  415.423  174.683   0.3921   3.8573   1.2967   5.6293  -0.4085   5.2961  516.605  213.636  464.402  200.245 52.20218 292.8110 
1 1 1  -10   23   15 o  1387.26  192.775   31.262   8.1475   31.262   8.1475   0.0000   0.0000  1387.26  192.775  ?   ?  0.000000 192.7745 
1 1 1  -10   23   17 o  1403.37  126.513   31.347   5.4996   36.660   8.2139   27.031   7.4041  1507.56  177.399  1288.67  189.119 218.8916 259.2997 
1 1 1  -10   23   19 o  899.471  160.019   13.220   4.3417   12.526   6.6513   13.736   5.7311  866.648  237.880  908.362  206.209 -41.71387 314.8156 
1 1 1  -10   23   21 o  755.876  213.084   9.4486   5.2605   0.0000   0.0000   9.4486   5.2605  ?   ?   755.876  213.084 0.000000 213.0840 
1 1 1  -10   23   23 o  411.638  189.996  -4.3377   5.7165  -4.3377   5.7165   0.0000   0.0000  411.638  189.996  ?   ?  0.000000 189.9963 
1 1 1  -10   23   25 o  1935.89  120.385   59.551   7.2613   69.638   10.550   50.472   10.009  2081.76  163.154  1763.82  183.937 317.9418 245.8701 
1 1 1  -10   23   27 o  473.805  184.268   2.3595   3.9264   10.727   6.1578  -3.3736   5.0970  798.607  232.288  395.631  181.432 402.9759 294.7458 
1 1 1  -10   23   29 o  725.142  240.225   8.5363   6.3557   0.0000   0.0000   8.5363   6.3557  ?   ?   725.142  240.225 0.000000 240.2255 
1 1 1  -10   23   31 o  1369.29  149.282   30.621   6.2969   33.623   8.8518   27.546   8.9594  1410.49  206.540  1260.53  235.656 149.9652 313.3568 
1 1 1  -10   23   33 o  414.376  193.682  -5.1111   6.2345  -5.1111   6.2345   0.0000   0.0000  414.376  193.682  ?   ?  0.000000 193.6817 
1 1 1  -10   23   35 o  981.969  254.184   17.827   7.8764   17.827   7.8764   0.0000   0.0000  981.969  254.184  ?   ?  0.000000 254.1845 
1 1 1  -10   23   37 f  1321.56  272.173   33.328   10.888   33.328   10.888   0.0000   0.0000  1321.56  272.173  ?   ?  0.000000 272.1732 
1 1 1  -10   23   39 o  450.707  216.352  -9.1154   8.8447  -9.1154   8.8447   0.0000   0.0000  450.707  216.352  ?   ?  0.000000 216.3518 
1 1 1  -10   23   41 o  939.669  283.020   18.794   9.0127   18.794   9.0127   0.0000   0.0000  939.669  283.020  ?   ?  0.000000 283.0196 
1 1 1  -10   23   43 o  557.552  233.225   4.1025   6.8196   4.1025   6.8196   0.0000   0.0000  557.552  233.225  ?   ?  0.000000 233.2254 
1 1 1  -10   23   45 o  768.051  238.415   12.713   6.3339   17.263   7.9232   4.6581   10.543  866.099  266.294  600.699  269.643 265.3996 378.9716 
1 1 1  -10   24    2 o  589.768  228.490   3.6189   6.0194   0.0000   0.0000   3.6189   6.0194  ?   ?   589.768  228.490 0.000000 228.4904 
1 1 1  -10   24    6 o  749.530  236.463   8.9010   6.2031   0.0000   0.0000   8.9010   6.2031  ?   ?   749.530  236.463 0.000000 236.4626 
1 1 1  -10   24    8 o  529.409  219.557   1.2248   5.9702   0.0000   0.0000   1.2248   5.9702  ?   ?   529.409  219.557 0.000000 219.5573 
1 1 1  -10   24   10 o  862.409  186.162   12.257   4.8798   14.478   7.0651   10.230   6.7480  932.930  240.365  797.638  245.837 135.2922 343.8185 
1 1 1  -10   24   12 o  507.587  214.494   0.4441   5.8623   0.0000   0.0000   0.4441   5.8623  ?   ?   507.587  214.494 0.000000 214.4939 
1 1 1  -10   24   14 o  1234.05  147.239   24.406   5.5771   17.878   8.0239   30.508   7.7574  1034.04  250.467  1373.58  185.073 -339.5457 311.4248 
1 1 1  -10   24   16 o  1095.15  155.287   19.357   5.1759   14.789   7.6789   23.161   7.0069  941.524  254.425  1190.96  194.617 -249.4396 320.3243 
1 1 1  -10   24   18 o  491.310  187.892   2.6685   4.0332  -0.8833   6.4208   4.9834   5.1835  502.657  218.602  602.512  216.145 -99.85474 307.4178 
1 1 1  -10   24   20 f  648.019  193.071   6.8055   4.2111   9.2865   6.7499   5.2245   5.3884  765.314  247.223  614.622  220.387 150.6912 331.1945 
1 1 1  -10   24   22 o  1199.70  189.085   23.571   6.8679   0.0000   0.0000   23.571   6.8679  ?   ?   1199.70  189.085 0.000000 189.0846 
1 1 1  -10   24   24 o  773.156  228.134   9.9170   5.9018   0.0000   0.0000   9.9170   5.9018  ?   ?   773.156  228.134 0.000000 228.1338 
1 1 1  -10   24   26 o  1462.51  134.594   34.325   6.0945   38.052   9.1335   31.334   8.1825  1520.70  196.403  1378.33  195.036 142.3676 276.7906 
1 1 1  -10   24   28 o  376.515  174.008  -3.6151   4.8177   0.0000   0.0000  -3.6151   4.8177  ?   ?   376.515  174.008 0.000000 174.0081 
1 1 1  -10   24   30 o  1323.81  140.174   28.467   5.7220   42.264   8.5709   17.373   7.6857  1601.82  173.662  993.696  247.841 608.1273 302.6281 
1 1 1  -10   24   32 o  2099.55  127.184   71.096   8.3219   90.878   12.299   54.392   11.302  2349.74  168.278  1793.55  204.919 556.1936 265.1592 
1 1 1  -10   24   34 o  682.868  214.361   8.0176   5.1042   12.432   7.6411   4.4611   6.8590  830.379  262.493  608.664  241.470 221.7153 356.6654 
1 1 1  -10   24   36 o  784.322  221.920   11.077   5.6949   18.369   8.1288   4.0477   7.9809  990.405  259.132  619.230  255.058 371.1750 363.5988 
1 1 1  -10   24   38 o  820.709  239.930   12.606   6.5548   8.9180   9.9526   15.432   8.7108  737.868  291.459  887.044  280.251 -149.1769 404.3376 
1 1 1  -10   24   40 f  759.261  301.010   10.579   10.652   10.579   10.652   0.0000   0.0000  759.261  301.010  ?   ?  0.000000 301.0096 
1 1 1  -10   24   42 o  455.398  219.042  -8.6789   9.1724  -8.6789   9.1724   0.0000   0.0000  455.398  219.042  ?   ?  0.000000 219.0424 
1 1 1  -10   25    1 o  798.609  230.625   10.401   6.0895   10.602   9.4633   10.260   7.9554  847.362  293.034  815.281  268.698 32.08167 397.5773 
1 1 1  -10   25    3 o  1228.14  262.467   25.072   9.7872   25.072   9.7872   0.0000   0.0000  1228.14  262.467  ?   ?  0.000000 262.4672 
1 1 1  -10   25    5 o  1120.35  174.347   20.322   5.9173   21.124   9.0627   19.727   7.8125  1125.90  261.988  1091.42  235.514 34.47156 352.2847 
1 1 1  -10   25    7 o  674.819  242.846   6.1860   6.5481   0.0000   0.0000   6.1860   6.5481  ?   ?   674.819  242.846 0.000000 242.8458 
1 1 1  -10   25    9 o  386.062  182.756  -6.8759   5.8724   0.0000   0.0000  -6.8759   5.8724  ?   ?   386.062  182.756 0.000000 182.7562 
1 1 1  -10   25   11 o  983.129  245.108   16.089   7.5192   0.0000   0.0000   16.089   7.5192  ?   ?   983.129  245.108 0.000000 245.1076 
1 1 1  -10   25   13 o  538.656  224.440   1.1092   6.2805   0.0000   0.0000   1.1092   6.2805  ?   ?   538.656  224.440 0.000000 224.4397 
1 1 1  -10   25   15 o  1144.44  169.106   21.201   5.8774   28.799   8.7712   15.009   7.9179  1325.53  218.972  949.196  259.133 376.3338 339.2618 
1 1 1  -10   25   17 f  1155.77  164.473   21.603   5.7844   24.779   8.4893   18.850   7.9028  1223.35  230.062  1061.47  243.012 161.8781 334.6388 
1 1 1  -10   25   21 o  1249.84  232.127   26.061   8.7500   26.061   8.7500   0.0000   0.0000  1249.84  232.127  ?   ?  0.000000 232.1269 
1 1 1  -10   25   23 o  1419.03  239.255   33.712   10.253   33.712   10.253   0.0000   0.0000  1419.03  239.255  ?   ?  0.000000 239.2550 
1 1 1  -10   25   25 o  662.394  231.422   6.5824   5.9094   0.0000   0.0000   6.5824   5.9094  ?   ?   662.394  231.422 0.000000 231.4220 
1 1 1  -10   25   27 o  1172.23  209.166   23.123   7.3959   0.0000   0.0000   23.123   7.3959  ?   ?   1172.23  209.166 0.000000 209.1658 
1 1 1  -10   25   29 o  708.037  210.149   8.4546   4.9961   26.865   7.6538  -5.2147   6.5950  1264.91  199.882  432.589  201.188 832.3192 283.6006 
1 1 1  -10   25   31 o  938.787  237.524   15.500   6.9877   0.0000   0.0000   15.500   6.9877  ?   ?   938.787  237.524 0.000000 237.5243 
1 1 1  -10   25   33 o  662.205  213.215   7.3627   5.0237   9.3712   8.1270   6.1205   6.3910  756.055  270.707  644.201  238.624 111.8535 360.8652 
1 1 1  -10   25   35 o  1032.13  182.184   18.222   5.6727   25.914   9.0120   13.175   7.3004  1197.02  248.569  850.863  254.369 346.1534 355.6546 
1 1 1  -10   25   37 f  425.570  187.290  -0.5375   4.8375  -3.2806   7.9850   1.0531   6.0804  497.542  227.770  505.140  216.121 -7.597870 313.9864 
1 1 1  -10   25   39 o  665.231  250.878   7.2554   7.1273   0.0000   0.0000   7.2554   7.1273  ?   ?   665.231  250.878 0.000000 250.8784 
1 1 1  -10   25   41 o  383.584  184.365  -7.4542   6.4682   0.0000   0.0000  -7.4542   6.4682  ?   ?   383.584  184.365 0.000000 184.3649 
1 1 1  -10   26    2 o  709.036  240.367   7.4943   6.3599   5.5757   9.7944   8.8931   8.3629  742.212  290.372  785.557  275.254 -43.34534 400.1013 
1 1 1  -10   26    4 o  1024.44  189.103   17.155   5.8425   16.778   7.4592   17.753   9.3978  1005.07  240.276  1033.15  282.420 -28.07666 370.8013 
1 1 1  -10   26    6 o  562.426  208.461   3.9308   4.8789   2.0659   6.5274   6.2917   7.3442  569.705  232.193  696.870  256.218 -127.1658 345.7760 
1 1 1  -10   26    8 o  633.355  233.319   5.1329   6.0943   6.9082   10.163   4.1361   7.6155  777.547  298.042  651.644  255.729 125.9031 392.7170 
1 1 1  -10   26   10 o  630.819  233.124   5.0565   6.0927   17.608   10.753  -0.8784   7.3942  1032.82  308.702  542.521  235.262 490.2979 388.1301 
1 1 1  -10   26   12 o  710.095  236.773   7.6892   6.1707   22.250   10.830   0.6895   7.5088  1148.83  298.390  575.086  242.871 573.7435 384.7371 
1 1 1  -10   26   14 o  893.495  308.010   12.105   10.451   12.105   10.451   0.0000   0.0000  893.495  308.010  ?   ?  0.000000 308.0099 
1 1 1  -10   26   16 o  812.309  259.016   10.559   7.4276   0.0000   0.0000   10.559   7.4276  ?   ?   812.309  259.016 0.000000 259.0158 
1 1 1  -10   26   18 o  579.247  242.234   1.3267   7.3537   0.0000   0.0000   1.3267   7.3537  ?   ?   579.247  242.234 0.000000 242.2335 
1 1 1  -10   26   20 o  1231.16  170.491   24.631   6.3961   22.468   9.0804   26.762   9.0110  1150.97  258.299  1265.16  236.149 -114.1868 349.9785 
1 1 1  -10   26   22 o  693.677  226.468   7.6258   5.6562   3.6218   8.6752   10.587   7.4599  662.130  268.498  807.047  259.815 -144.9169 373.6246 
1 1 1  -10   26   24 o  651.422  230.172   6.2370   5.8569   7.3305   9.1877   5.4884   7.6016  749.203  284.287  671.757  257.699 77.44666 383.7033 
1 1 1  -10   26   26 o  600.576  223.416   4.7789   5.6142   6.5225   9.0684   3.6953   7.1489  725.569  280.633  615.568  245.790 110.0005 373.0516 
1 1 1  -10   26   28 o  298.299  148.701 -14.0957   5.5816   0.0000   0.0000 -14.0957   5.5816  ?   ?   298.299  148.701 0.000000 148.7012 
1 1 1  -10   26   30 o  697.466  247.388   7.5184   6.7720   0.0000   0.0000   7.5184   6.7720  ?   ?   697.466  247.388 0.000000 247.3882 
1 1 1  -10   26   32 o  632.977  214.380   6.4223   5.0591   2.5012   8.2337   8.8005   6.4122  611.536  256.077  726.154  241.326 -114.6182 351.8714 
1 1 1  -10   26   34 o  560.721  228.584   2.8851   6.3280   0.0000   0.0000   2.8851   6.3280  ?   ?   560.721  228.584 0.000000 228.5842 
1 1 1  -10   26   36 o  518.444  213.180   2.2600   5.5635   13.664   9.4965  -3.6994   6.8649  862.407  293.712  456.302  209.736 406.1053 360.9094 
1 1 1  -10   26   38 o  821.352  225.015   12.280   5.9580   2.1980   9.5342   18.740   7.6317  619.689  267.934  1005.42  244.721 -385.7305 362.8738 
1 1 1  -10   27    1 o  909.979  252.865   13.706   7.4639   13.706   7.4639   0.0000   0.0000  909.979  252.865  ?   ?  0.000000 252.8648 
1 1 1  -10   27    3 o  470.112  224.727 -12.3843   9.3254 -12.3843   9.3254   0.0000   0.0000  470.112  224.727  ?   ?  0.000000 224.7266 
1 1 1  -10   27    5 o  953.126  241.618   15.120   7.2208   15.120   7.2208   0.0000   0.0000  953.126  241.618  ?   ?  0.000000 241.6183 
1 1 1  -10   27    7 o  1247.80  158.340   25.017   6.0474   25.271   7.6839   24.604   9.8023  1244.06  204.351  1213.27  265.406 30.79297 334.9619 
1 1 1  -10   27    9 o  783.594  248.349   9.7599   6.8364   12.891   10.988   7.7827   8.7323  920.263  315.901  763.229  279.570 157.0331 421.8446 
1 1 1  -10   27   11 o  832.313  208.968   11.495   5.4381   19.218   7.1048   0.5689   8.4505  1077.47  218.069  604.588  256.616 472.8819 336.7581 
1 1 1  -10   27   13 o  783.549  247.440   9.8236   6.7911   14.277   12.555   7.9815   8.0745  967.888  337.359  752.840  269.801 215.0476 431.9764 
1 1 1  -10   27   15 o  384.098  176.572  -3.5286   4.8678  -9.8811   6.5711   4.1973   7.2467  382.559  184.345  638.892  249.819 -256.3327 310.4716 
1 1 1  -10   27   17 o  829.191  243.710   11.370   6.7470   16.868   11.985   8.8195   8.1635  1013.42  329.595  773.214  271.895 240.2083 427.2699 
1 1 1  -10   27   19 o  685.847  299.269  -1.0854   12.120  -1.0854   12.120   0.0000   0.0000  685.847  299.269  ?   ?  0.000000 299.2686 
1 1 1  -10   27   21 o  411.957  194.256  -6.9285   6.5169   13.789   12.308 -15.0001   7.6822  942.542  333.597  381.635  187.302 560.9067 382.5818 
1 1 1  -10   27   23 o  596.554  237.923   3.3151   6.6915  -2.3042   11.833   5.9566   8.1133  656.995  290.844  696.507  266.460 -39.51184 394.4504 
1 1 1  -10   27   25 o  348.060  166.790  -7.0917   5.2064  -3.1390   6.9897 -12.0178   7.8031  482.297  217.747  410.071  198.411 72.22659 294.5852 
1 1 1  -10   27   27 o  917.512  209.657   14.292   5.8917   8.8688   7.7984   21.503   8.9928  756.852  265.768  1112.13  262.467 -355.2780 373.5255 
1 1 1  -10   27   29 o  633.571  247.900   4.6208   7.1394  -2.5301   14.096   7.0879   8.2799  701.499  313.557  717.394  270.439 -15.89514 414.0716 
1 1 1  -10   27   31 o  614.008  226.268   5.3137   5.7322   11.116   7.9834  -0.8614   8.2356  811.489  269.254  557.003  244.769 254.4860 363.8812 
1 1 1  -10   27   33 o  688.683  236.967   7.6640   6.1847   6.5678   9.0765   8.6141   8.4500  711.800  279.233  746.808  274.794 -35.00769 391.7682 
1 1 1  -10   27   35 o  730.895  268.681   8.4564   8.0755   0.0000   0.0000   8.4564   8.0755  ?   ?   730.895  268.681 0.000000 268.6805 
1 1 1  -10   28    2 o  653.518  254.389   4.4264   7.4885   4.4264   7.4885   0.0000   0.0000  653.518  254.389  ?   ?  0.000000 254.3892 
1 1 1  -10   28    4 o  1077.77  235.815   19.323   7.7370   6.0029   10.720   33.806   11.178  770.692  303.101  1427.98  259.550 -657.2897 399.0444 
1 1 1  -10   28    6 o  449.086  209.077  -6.3630   7.1520  -6.3630   7.1520   0.0000   0.0000  449.086  209.077  ?   ?  0.000000 209.0772 
1 1 1  -10   28    8 o  728.749  300.237   3.2276   11.062   3.2276   11.062   0.0000   0.0000  728.749  300.237  ?   ?  0.000000 300.2372 
1 1 1  -10   28   10 o  806.200  262.725   10.224   7.6136   10.224   7.6136   0.0000   0.0000  806.200  262.725  ?   ?  0.000000 262.7247 
1 1 1  -10   28   12 o  1139.64  233.182   21.608   8.0407   28.514   13.157   17.491   10.158  1290.88  325.559  1022.56  298.615 268.3192 441.7690 
1 1 1  -10   28   14 o  508.378  219.187  -0.4056   6.3443  -4.5308   11.970   1.2058   7.4815  641.269  287.626  582.256  243.975 59.01318 377.1641 
1 1 1  -10   28   16 o  1000.88  242.807   16.841   7.5318   74.136   13.102 -11.4384   9.2048  2143.50  197.426  472.392  225.108 1671.106 299.4169 
1 1 1  -10   28   18 o  622.448  225.506   5.2853   5.6590   3.2548   7.2974   8.3485   8.9630  617.459  247.699  775.814  283.383 -158.3548 376.3777 
1 1 1  -10   28   20 o  463.213  204.824  -1.6161   5.8525  -8.2170   7.9187   6.3299   8.6881  455.512  214.593  722.011  275.853 -266.4991 349.4929 
1 1 1  -10   28   22 o  925.332  259.101   14.509   7.8053   23.797   13.728   10.072   9.4883  1166.94  348.798  821.453  292.673 345.4830 455.3213 
1 1 1  -10   28   24 o  804.711  264.778   10.455   7.7262   1.6076   13.987   14.340   9.2686  763.512  327.253  923.162  288.711 -159.6508 436.4038 
1 1 1  -10   28   26 o  614.971  249.110   3.1803   7.4590   9.5294   13.804   0.5618   8.8647  874.742  343.969  608.380  260.640 266.3626 431.5643 
1 1 1  -10   28   28 o  548.919  245.372  -2.6183   8.6336   0.0000   0.0000  -2.6183   8.6336  ?   ?   548.919  245.372 0.000000 245.3723 
1 1 1  -10   28   30 o  523.010  238.368  -4.2924   8.6210   0.0000   0.0000  -4.2924   8.6210  ?   ?   523.010  238.368 0.000000 238.3683 
1 1 1  -10   28   32 o  1008.20  216.304   17.483   6.6240   15.495   8.6362   20.323   10.323  934.845  276.003  1058.70  298.520 -123.8519 406.5609 
1 1 1  -10   29    1 o  641.437  259.652   3.0443   8.0977   3.0443   8.0977   0.0000   0.0000  641.437  259.652  ?   ?  0.000000 259.6522 
1 1 1  -10   29    3 o  662.982  242.501   5.7867   6.5667   7.7586   8.0111   1.7482   11.464  747.766  268.660  716.508  301.213 31.25745 403.6179 
1 1 1  -10   29    5 o  445.862  210.053  -8.1317   7.5880  -1.3069   10.947 -14.4433   10.528  655.357  285.224  494.348  236.965 161.0097 370.8174 
1 1 1  -10   29    7 f  642.099  257.070   3.4581   7.8430   12.023   12.464  -2.1559   10.091  923.259  334.641  615.990  270.812 307.2688 430.4927 
1 1 1  -10   29    9 o  787.299  242.323   9.9939   6.5590   12.684   8.1816   5.1547   10.973  882.680  270.469  760.253  304.177 122.4276 407.0341 
1 1 1  -10   29   11 o  1192.01  230.754   23.541   8.3015   23.541   8.3015   0.0000   0.0000  1192.01  230.754  ?   ?  0.000000 230.7536 
1 1 1  -10   29   13 o  734.790  309.963   1.7929   12.208   1.7929   12.208   0.0000   0.0000  734.790  309.963  ?   ?  0.000000 309.9634 
1 1 1  -10   29   15 o  666.311  297.331  -4.0455   12.618  -4.0455   12.618   0.0000   0.0000  666.311  297.331  ?   ?  0.000000 297.3306 
1 1 1  -10   29   17 f  756.658  250.819   8.9217   6.9282   8.6848   12.915   9.0174   8.2094  861.635  334.450  779.947  272.749 81.68890 431.5649 
1 1 1  -10   29   19 o  552.808  221.720   2.5263   5.8457  -2.6706   8.1588   8.0087   8.3799  538.308  239.730  756.436  274.357 -218.1279 364.3386 
1 1 1  -10   29   21 o  810.671  236.921   10.907   6.3923   13.830   8.5883   7.2757   9.5716  910.920  276.707  762.593  289.973 148.3270 400.8129 
1 1 1  -10   29   23 o  675.327  279.296   2.8779   9.6225   0.0000   0.0000   2.8779   9.6225  ?   ?   675.327  279.296 0.000000 279.2963 
1 1 1  -10   29   25 o  973.357  247.036   16.157   7.5420   25.168   11.416   9.1768   10.047  1200.75  303.482  808.029  299.211 392.7251 426.1791 
1 1 1  -10   29   27 o  1135.79  229.086   21.841   7.8662   22.545   11.881   21.291   10.496  1129.53  320.867  1102.48  297.263 27.04712 437.4029 
1 1 1  -10   29   29 o  769.492  272.014   9.1303   8.1807   36.857   15.376  -1.8179   9.6617  1421.59  348.182  593.894  262.862 827.6951 436.2647 
1 1 1  -10   30    2 o  842.175  253.054   11.532   7.2116   15.635   9.1654   4.8630   11.685  972.747  283.523  774.411  312.457 198.3369 421.9173 
1 1 1  -10   30    4 o  478.140  216.350  -3.6869   6.9448   3.4131   9.0551 -13.8289   10.822  677.771  274.498  510.138  243.368 167.6339 366.8477 
1 1 1  -10   30    6 o  1094.86  262.454   20.059   8.8807   23.593   12.763   16.742   12.365  1182.54  331.391  1023.62  334.875 158.9164 471.1279 
1 1 1  -10   30    8 o  570.880  247.747  -0.9532   8.2124  -3.5439   12.061   1.2865   11.214  659.252  292.644  702.355  296.720 -43.10315 416.7532 
1 1 1  -10   30   10 o  690.260  246.798   6.6232   6.7526   2.5964   8.3201   14.395   11.559  639.020  261.487  961.343  324.049 -322.3229 416.3936 
1 1 1  -10   30   12 o  640.230  229.323   5.6499   5.8327   2.1820   8.5440   8.6765   7.9820  637.452  263.369  770.089  268.964 -132.6376 376.4370 
1 1 1  -10   30   14 o  918.936  209.770   14.026   5.9030   22.202   8.3452   5.8393   8.3511  1154.79  238.681  707.952  270.457 446.8349 360.7157 
1 1 1  -10   30   16 o  849.518  347.944   5.4516   14.748   5.4516   14.748   0.0000   0.0000  849.518  347.944  ?   ?  0.000000 347.9437 
1 1 1  -10   30   20 o  1119.93  337.378   21.351   12.806   21.351   12.806   0.0000   0.0000  1119.93  337.378  ?   ?  0.000000 337.3777 
1 1 1  -10   30   22 o  619.254  276.459  -3.4784   10.922  -3.4784   10.922   0.0000   0.0000  619.254  276.459  ?   ?  0.000000 276.4589 
1 1 1  -10   30   24 o  608.636  251.941   2.1207   7.8400  -2.1694   14.759   3.8073   9.2536  739.078  326.111  682.720  277.145 56.35809 427.9694 
1 1 1  -10   31    1 o  606.527  248.950   2.1204   7.5702  -0.8851   9.7500   6.6824   12.012  625.343  270.664  815.352  320.792 -190.0091 419.7221 
1 1 1  -10   31    3 o  680.259  257.805   5.4322   7.5498   9.3928   9.4109  -1.7195   12.646  816.526  291.417  701.427  305.889 115.0989 422.4830 
1 1 1  -10   31    5 o  454.815  211.941  -6.7025   7.3765 -10.0413   9.1659  -0.5655   12.427  487.407  230.000  710.761  306.603 -223.3538 383.2825 
1 1 1  -10   31    7 o  554.824  248.743  -3.7604   8.9422  -7.3760   13.048  -0.5582   12.280  645.250  293.760  706.451  304.762 -61.20099 423.2903 
1 1 1  -10   31    9 o  545.244  234.654  -0.4058   7.2445   0.4891   8.8686  -2.2006   12.559  618.370  262.695  691.922  303.207 -73.55273 401.1768 
1 1 1  -10   31   11 o  847.266  261.237   11.590   7.6190   0.3849   13.750   16.555   9.1527  758.253  324.720  997.475  281.025 -239.2224 429.4394 
1 1 1  -10   31   13 o  622.409  234.912   4.6121   6.2521   4.0782   9.1362   5.0824   8.5742  692.425  277.372  698.033  272.072 -5.608215 388.5334 
1 1 1  -10   31   15 o  745.028  277.305   7.1163   8.6514   0.0000   0.0000   7.1163   8.6514  ?   ?   745.028  277.305 0.000000 277.3046 
1 1 1  -10   31   17 o  789.149  287.086   8.5708   9.1854   0.0000   0.0000   8.5708   9.1854  ?   ?   789.149  287.086 0.000000 287.0859 
1 1 1  -10   31   19 o  903.459  283.080   13.312   8.9059   0.0000   0.0000   13.312   8.9059  ?   ?   903.459  283.080 0.000000 283.0801 
1 1 1  -10   32    2 o  577.912  239.430   1.5148   7.0895   6.4361   9.6309  -4.3061   10.474  755.964  290.050  601.279  269.414 154.6856 395.8703 
1 1 1  -10   32    4 o  662.280  257.167   4.5480   7.6385   10.223   9.6710  -4.8624   12.454  841.528  295.937  656.990  294.119 184.5386 417.2346 
1 1 1  -10   32    6 o  439.472  211.231 -12.3324   8.4917 -20.3633   12.630  -5.7080   11.471  518.962  251.431  616.190  278.504 -97.22809 375.2096 
1 1 1  -10   32    8 o  887.534  260.474   12.885   7.7121   17.099   9.5638   5.0502   13.041  1015.46  287.679  811.685  329.175 203.7711 437.1678 
1 1 1  -10   32   10 o  549.409  235.556  -0.2110   7.2505 -11.0524   12.091   5.8768   9.0603  578.159  270.062  729.189  280.934 -151.0305 389.6884 
1 1 1   -9    0    1 o  2713.56  120.549  116.181   10.197  116.181   10.197  116.181   10.197  2713.56  120.549  2713.56  120.549 -0.000000 0.000000 
1 1 1   -9    0    3 o  3871.66  148.452  236.369   17.937  236.369   17.937  236.369   17.937  3871.66  148.452  3871.66  148.452 -0.000000 0.000000 
1 1 1   -9    0    5 o  920.203  143.221   14.215   3.8290   14.215   3.8290   14.215   3.8290  920.203  143.221  920.203  143.221 -0.000000 0.000000 
1 1 1   -9    0    7 o  803.357  150.105   11.126   3.3895   11.126   3.3895   11.126   3.3895  803.357  150.105  803.357  150.105 -0.000000 0.000000 
1 1 1   -9    0    9 o  3541.93  200.788  199.490   22.105  199.490   22.105  199.490   22.105  3541.93  200.788  3541.93  200.788 -0.000000 0.000000 
1 1 1   -9    0   11 o  2945.14  180.559  138.098   16.508  138.098   16.508  138.098   16.508  2945.14  180.559  2945.14  180.559 -0.000000 0.000000 
1 1 1   -9    0   13 o  1905.11  151.282   58.163   8.8936   58.163   8.8936   58.163   8.8936  1905.11  151.282  1905.11  151.282 -0.000000 0.000000 
1 1 1   -9    0   15 o  3976.10  152.159  250.068   18.881  250.068   18.881  250.068   18.881  3976.10  152.159  3976.10  152.159 -0.000000 0.000000 
1 1 1   -9    0   17 o  1094.93   96.693   19.256   3.2556   19.256   3.2556   19.256   3.2556  1094.93   96.693  1094.93   96.693 -0.000000 0.000000 
1 1 1   -9    0   19 o  1790.32  104.084   50.861   5.7897   50.861   5.7897   50.861   5.7897  1790.32  104.084  1790.32  104.084 -0.000000 0.000000 
1 1 1   -9    0   21 o  362.045  137.665   2.7928   1.4675   2.7928   1.4675   2.7928   1.4675  362.045  137.665  362.045  137.665 -0.000000 0.000000 
1 1 1   -9    0   23 o  664.121  112.558   7.5007   2.1388   7.5007   2.1388   7.5007   2.1388  664.121  112.558  664.121  112.558 -0.000000 0.000000 
1 1 1   -9    0   25 o  143.560   92.329   0.0120   0.9512   0.0120   0.9512   0.0120   0.9512  143.560   92.329  143.560   92.329 -0.000000 0.000000 
1 1 1   -9    0   27 o  165.809  110.397  -0.4684   1.5461  -0.4684   1.5461  -0.4684   1.5461  165.809  110.397  165.809  110.397 -0.000000 0.000000 
1 1 1   -9    0   31 o  137.413   95.666  -1.3498   1.4728  -1.3498   1.4728  -1.3498   1.4728  137.413   95.666  137.413   95.666 -0.000000 0.000000 
1 1 1   -9    0   33 o  2978.69  186.808  144.667   17.267  144.667   17.267  144.667   17.267  2978.69  186.808  2978.69  186.808 -0.000000 0.000000 
1 1 1   -9    0   35 o  1068.63  104.646   18.569   3.4245   18.569   3.4245   18.569   3.4245  1068.63  104.646  1068.63  104.646 -0.000000 0.000000 
1 1 1   -9    0   37 o  3780.63  149.723  230.287   17.661  230.287   17.661  230.287   17.661  3780.63  149.723  3780.63  149.723 -0.000000 0.000000 
1 1 1   -9    0   39 o  1529.24  103.282   37.524   4.8938   37.524   4.8938   37.524   4.8938  1529.24  103.282  1529.24  103.282 -0.000000 0.000000 
1 1 1   -9    0   41 o  1706.10  155.603   47.693   8.1537   47.693   8.1537   47.693   8.1537  1706.10  155.603  1706.10  155.603 -0.000000 0.000000 
1 1 1   -9    0   43 o  4016.29  226.938  266.089   28.331  266.089   28.331  266.089   28.331  4016.29  226.938  4016.29  226.938 -0.000000 0.000000 
1 1 1   -9    0   45 o  956.811  184.885   16.182   4.9434   16.182   4.9434   16.182   4.9434  956.811  184.885  956.811  184.885 -0.000000 0.000000 
1 1 1   -9    0   47 o  489.788  215.440   5.5686   3.4602   5.5686   3.4602   5.5686   3.4602  489.788  215.440  489.788  215.440 -0.000000 0.000000 
1 1 1   -9    0   49 o  420.747  210.997   4.2398   3.4083   4.2398   3.4083   4.2398   3.4083  420.747  210.997  420.747  210.997 -0.000000 0.000000 
1 1 1   -9    0   51 o  419.553  214.821   4.2294   3.5758   4.2294   3.5758   4.2294   3.5758  419.553  214.821  419.553  214.821 -0.000000 0.000000 
1 1 1   -9    0   53 o  178.277  125.738  -3.1951   2.7979  -3.1951   2.7979  -3.1951   2.7979  178.277  125.738  178.277  125.738 -0.000000 0.000000 
1 1 1   -9    0   55 o  3365.18  208.451  191.523   21.772  191.523   21.772  191.523   21.772  3365.18  208.451  3365.18  208.451 -0.000000 0.000000 
1 1 1   -9    0   57 o  3396.48  212.727  198.127   22.421  198.127   22.421  198.127   22.421  3396.48  212.727  3396.48  212.727 -0.000000 0.000000 
1 1 1   -9    0   59 o  450.141  229.570   5.2197   4.0743   5.2197   4.0743   5.2197   4.0743  450.141  229.570  450.141  229.570 -0.000000 0.000000 
1 1 1   -9    0   63 o  2934.40  200.447  150.765   18.220  150.765   18.220  150.765   18.220  2934.40  200.447  2934.40  200.447 -0.000000 0.000000 
1 1 1   -9    1    2 o  3334.13   94.735  174.448   9.8903  177.571   13.988  171.326   13.986  3360.06  132.955  3300.17  135.341 59.89087 189.7211 
1 1 1   -9    1    4 o  4448.23  132.332  311.198   18.432  345.573   31.947  294.046   22.566  4669.21  218.509  4318.12  166.898 351.0928 274.9567 
1 1 1   -9    1    6 o  5201.77  184.834  427.597   30.106  418.540   42.584  436.647   42.568  5114.22  266.844  5232.92  259.790 -118.7090 372.4200 
1 1 1   -9    1    8 o  2518.20  115.207   99.675   9.0842  103.924   12.866   95.450   12.828  2561.54  161.227  2453.21  168.014 108.3362 232.8578 
1 1 1   -9    1   10 o  1532.67   98.827   37.057   4.7176   35.884   6.6748   38.228   6.6686  1501.71  143.704  1551.24  138.756 -49.52588 199.7603 
1 1 1   -9    1   12 o  2515.83  115.850   99.672   9.1263  104.343   12.916   95.015   12.897  2562.14  161.829  2442.62  169.672 119.5271 234.4726 
1 1 1   -9    1   14 f  4375.79  132.138  302.596   18.105  305.084   31.368  301.353   22.171  4346.55  231.309  4356.40  162.532 -9.849121 282.7025 
1 1 1   -9    1   16 o  4805.95  142.530  366.527   21.449  375.098   37.161  362.245   26.265  4791.11  248.558  4760.98  176.186 30.12842 304.6682 
1 1 1   -9    1   18 o  737.688   68.675   8.6244   1.5681   6.8429   2.2092   10.433   2.2261  648.802  112.842  808.982   89.372 -160.1801 143.9466 
1 1 1   -9    1   20 o  426.752   82.467   2.9644   1.0621   3.6405   1.5000   2.2846   1.5041  470.928  104.460  379.303  115.923 91.62491 156.0450 
1 1 1   -9    1   22 o  693.435   80.764   7.6778   1.7208   6.9823   2.9426   8.0392   2.1213  648.270  148.195  706.550   98.567 -58.28021 177.9810 
1 1 1   -9    1   24 o  2886.73   88.521  131.738   8.0014  133.022   11.321  130.456   11.310  2886.84  125.242  2858.37  126.369 28.47168 177.9178 
1 1 1   -9    1   26 o  1913.63   86.455   58.067   5.1804   58.713   8.9548   57.742   6.3511  1893.89  152.289  1898.98  107.248 -5.092896 186.2636 
1 1 1   -9    1   28 f  704.686  110.170   8.1682   2.3514   0.0000   0.0000   8.1682   2.3514  ?   ?   704.686  110.170 0.000000 110.1704 
1 1 1   -9    1   30 o  919.092  149.579   14.383   4.1567   14.383   4.1567   0.0000   0.0000  919.092  149.579  ?   ?  0.000000 149.5794 
1 1 1   -9    1   32 o  1157.10   81.070   21.528   2.9188   20.742   3.5539   23.157   5.1160  1127.22  101.786  1169.52  142.661 -42.30164 175.2503 
1 1 1   -9    1   34 o  708.045   91.340   8.2344   1.9779   8.0518   2.4502   8.5760   3.3510  689.867  117.646  694.043  157.768 -4.175842 196.8032 
1 1 1   -9    1   36 o  5201.21  141.203  467.171   22.997  478.642   32.530  455.711   32.514  4999.59  207.796  4851.47  214.033 148.1157 298.3108 
1 1 1   -9    1   38 o  1570.47   86.343   40.477   4.2296   40.599   5.1844   40.235   7.3141  1553.74  107.219  1486.91  159.590 66.83276 192.2628 
1 1 1   -9    1   40 o  1913.29   90.818   60.258   5.4409   58.572   6.6578   63.649   9.4407  1856.38  115.105  1863.41  163.452 -7.031372 199.9145 
1 1 1   -9    1   42 f  1940.21   89.708   61.867   5.4500   62.239   6.6660   61.116   9.4648  1919.09  111.410  1819.59  168.016 99.50317 201.5978 
1 1 1   -9    1   44 o  2535.77  101.575  107.749   8.0652  109.261   9.8878  104.743   13.941  2506.66  126.383  2302.48  195.205 204.1755 232.5462 
1 1 1   -9    1   46 o  508.528  145.843   4.9038   2.4428   10.008   3.4681  -0.1222   3.4414  721.320  157.928  344.240  154.323 377.0799 220.8092 
1 1 1   -9    1   48 o  1571.66  114.742   43.543   5.6078   42.984   7.9722   44.092   7.8896  1453.06  179.002  1482.07  173.278 -29.01184 249.1329 
1 1 1   -9    1   50 o  2330.97  129.709  100.819   9.4298  106.386   13.399   95.356   13.273  2181.38  198.337  2021.21  212.926 160.1714 290.9896 
1 1 1   -9    1   52 o  1998.80  128.016   77.789   7.9701   81.362   11.288   74.238   11.254  1798.70  204.036  1668.76  220.806 129.9427 300.6429 
1 1 1   -9    1   54 f  2625.86  198.063  203.837   16.165  207.228   22.911  200.475   22.812  1191.10  449.659  1120.59  441.691 70.50708 630.3049 
1 1 1   -9    1   56 o  1863.56  174.710  109.118   10.076  116.691   14.291  101.632   14.208  899.923  351.114  705.088  315.007 194.8344 471.7102 
1 1 1   -9    1   58 o  1517.48  219.288  111.101   10.117  130.438   14.401   92.251   14.218  583.575  279.047  410.816  208.592 172.7597 348.3935 
1 1 1   -9    1   60 f  326.285  161.639   22.171   6.1970   22.171   6.1970   0.0000   0.0000  326.285  161.639  ?   ?  0.000000 161.6393 
1 1 1   -9    1   62 o  541.487  225.055   50.962   6.2924   59.167   9.0159   43.171   8.7862  ?   ?   ?   ?  0.000000      ? 
1 1 1   -9    2    1 o  2067.18   86.874   67.042   5.6232   61.419   9.7346   69.858   6.8888  1967.46  159.384  2109.18  104.307 -141.7208 190.4818 
1 1 1   -9    2    3 o  1403.76   96.678   31.075   4.2236   30.354   5.9828   31.792   5.9634  1381.73  140.224  1414.99  136.278 -33.26489 195.5364 
1 1 1   -9    2    5 o  2030.37  106.381   64.920   6.7398   64.697   9.5463   65.141   9.5166  2020.75  151.984  2027.89  150.954 -7.133423 214.2110 
1 1 1   -9    2    7 o  3009.04  127.293  142.438   11.994  136.544   16.976  148.312   16.947  2932.50  185.837  3058.49  177.723 -125.9963 257.1392 
1 1 1   -9    2    9 o  517.593  100.568   4.3526   1.5712   4.0532   2.2456   4.6397   2.1991  499.815  138.631  532.382  132.457 -32.56683 191.7383 
1 1 1   -9    2   11 o  2565.85   94.023  103.446   7.5541  111.367   13.100   99.499   9.2462  2648.90  158.671  2513.90  117.462 135.0022 197.4183 
1 1 1   -9    2   13 o  831.408   78.200   10.951   2.0119   10.821   3.4894   11.015   2.4624  815.826  141.737  831.349   96.381 -15.52295 171.4022 
1 1 1   -9    2   15 o  5554.29  156.833  490.364   27.276  514.201   47.270  478.466   33.397  5606.25  269.273  5464.00  195.200 142.2490 332.5827 
1 1 1   -9    2   17 f  601.744   69.828   5.7652   1.2912   5.6892   1.7985   5.8461   1.8550  592.580  100.517  600.568  102.313 -7.988342 143.4282 
1 1 1   -9    2   19 o  1435.57   69.888   32.394   3.1416   32.551   4.4342   32.235   4.4516  1432.79   99.453  1425.62  100.362 7.162964 141.2921 
1 1 1   -9    2   21 o  2204.96   89.939   76.688   6.2097   73.690   7.5944   82.736   10.786  2153.96  112.994  2269.68  152.660 -115.7188 189.9286 
1 1 1   -9    2   23 o  1403.11   78.378   31.129   3.4297   28.042   5.9144   32.693   4.2099  1315.21  146.082  1434.95   94.218 -119.7371 173.8304 
1 1 1   -9    2   25 o  807.488   80.285   10.405   2.0031   10.554   3.4738   10.331   2.4517  797.493  144.429  800.442   99.999 -2.949280 175.6689 
1 1 1   -9    2   27 o  1259.50   99.869   25.494   3.9063   0.0000   0.0000   25.494   3.9063  ?   ?   1259.50   99.869 0.000000 99.86877 
1 1 1   -9    2   29 o  2993.65   91.283  143.450   8.5567  148.059   12.110  138.855   12.092  3009.18  128.527  2910.06  132.698 99.11353 184.7371 
1 1 1   -9    2   31 o  2338.32   92.900   87.937   6.8020   92.387   8.3479   79.148   11.733  2382.54  111.897  2140.23  176.658 242.3057 209.1146 
1 1 1   -9    2   33 o  3508.48  148.730  208.501   16.339  208.501   16.339   0.0000   0.0000  3508.48  148.730  ?   ?  0.000000 148.7303 
1 1 1   -9    2   35 o  2752.55  128.937  127.634   11.113  127.634   11.113   0.0000   0.0000  2752.55  128.937  ?   ?  0.000000 128.9371 
1 1 1   -9    2   37 o  2602.10  123.082  115.171   10.029  115.171   10.029   0.0000   0.0000  2602.10  123.082  ?   ?  0.000000 123.0824 
1 1 1   -9    2   39 o  1307.22   84.637   28.035   3.4458   29.459   4.2240   25.202   5.9575  1326.22  102.513  1165.51  168.103 160.7115 196.8947 
1 1 1   -9    2   41 o  4406.27  147.996  343.917   20.419  340.412   25.017  350.914   35.343  4232.37  188.769  3831.57  296.905 400.7988 351.8329 
1 1 1   -9    2   43 o  2625.54  102.284  115.089   8.4090  113.574   10.306  118.105   14.544  2559.36  129.017  2477.73  188.886 81.62573 228.7429 
1 1 1   -9    2   45 f  2028.71   94.126   68.637   5.9793   68.228   7.3279   69.452   10.343  1985.14  118.427  1897.96  176.040 87.18481 212.1677 
1 1 1   -9    2   47 o  1997.92   93.694   67.211   5.8615   62.170   7.1876   77.221   10.128  1871.55  123.342  2001.58  163.009 -130.0305 204.4140 
1 1 1   -9    2   49 o  1339.38  115.309   31.906   4.7888   28.687   6.8733   34.942   6.6758  1148.61  198.272  1325.36  164.391 -176.7476 257.5581 
1 1 1   -9    2   51 o  2877.39  153.589  167.824   13.788  175.424   19.568  160.330   19.431  2504.76  252.960  2316.67  273.117 188.0967 372.2661 
1 1 1   -9    2   53 o  2054.11  137.324   89.136   8.7817   86.045   12.506   92.141   12.334  1574.06  263.022  1720.45  235.102 -146.3912 352.7794 
1 1 1   -9    2   55 o  1869.87  144.983   86.863   8.4224  102.862   12.098   71.819   11.732  1520.85  263.606  892.910  324.510 627.9411 418.0850 
1 1 1   -9    2   57 o  751.359  165.273   18.121   3.7827   20.619   5.5305   15.926   5.1852  524.008  213.665  454.356  197.020 69.65265 290.6365 
1 1 1   -9    2   59 o  ?   ?   173.199   20.237  173.199   20.237   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -9    2   61 f  376.601  164.174   13.730   3.6399   18.994   5.3416   9.1666   4.9733  306.448  151.498  249.330  126.258 57.11818 197.2128 
1 1 1   -9    2   63 o  267.745  130.404   11.614   3.5187   9.0844   5.2925   13.618   4.7106  ?   ?   233.061  118.504 0.000000 118.5036 
1 1 1   -9    3    2 o  2891.44  123.314  131.485   11.165  135.022   15.817  127.972   15.762  2918.56  173.861  2840.20  178.132 78.36206 248.9148 
1 1 1   -9    3    4 o  3026.16  127.715  144.069   12.102  140.195   17.139  147.921   17.090  2971.76  185.101  3054.05  179.503 -82.29126 257.8444 
1 1 1   -9    3    6 o  2485.82  115.239   97.149   8.9699   96.176   12.710   98.115   12.661  2462.43  165.807  2487.69  163.443 -25.25952 232.8207 
1 1 1   -9    3    8 o  957.039   91.377   14.512   2.7050   17.497   3.8746   11.673   3.7783  1047.75  120.281  848.248  147.611 199.4973 190.4116 
1 1 1   -9    3   10 o  5107.92  148.353  412.105   23.728  382.105   41.108  427.093   29.057  4861.91  271.105  5189.67  178.810 -327.7578 324.7624 
1 1 1   -9    3   12 o  2462.05   93.040   95.303   7.1727   89.185   12.429   98.358   8.7830  2364.57  168.975  2498.81  112.252 -134.2417 202.8617 
1 1 1   -9    3   14 o  3390.64  112.137  181.327   11.906  181.412   20.655  181.285   14.569  3360.28  197.167  3383.98  137.498 -23.69824 240.3759 
1 1 1   -9    3   16 o  1188.60   77.043   22.302   2.8519   28.536   4.9938   19.285   3.4742  1338.03  120.485  1101.27  101.905 236.7537 157.8013 
1 1 1   -9    3   18 o  1145.17   68.079   20.678   2.4302   19.163   3.4336   22.198   3.4399  1097.46  101.054  1183.08   93.622 -85.62756 137.7576 
1 1 1   -9    3   20 o  3122.09  131.914  154.909   12.896  165.420   18.213  144.341   18.262  3199.88  182.531  2980.91  196.759 218.9656 268.3872 
1 1 1   -9    3   22 o  2086.91   88.663   68.736   5.7938   71.414   10.007   67.385   7.1061  2105.50  152.819  2058.87  110.632 46.63623 188.6611 
1 1 1   -9    3   24 o  1503.11   82.060   35.789   3.8476   37.662   6.6346   34.840   4.7230  1525.37  140.486  1478.12  102.682 47.24915 174.0110 
1 1 1   -9    3   26 o  684.451   74.294   7.4921   1.5667   7.6636   2.2006   7.3159   2.2309  685.171  105.994  667.971  110.528 17.20026 153.1375 
1 1 1   -9    3   28 o  3107.07  107.069  155.333   10.417  159.002   12.773  148.047   18.000  3123.06  130.615  2935.69  196.958 187.3745 236.3317 
1 1 1   -9    3   30 o  1300.34   80.989   27.082   3.2813   27.719   4.0493   25.863   5.5996  1308.17   99.604  1239.40  147.163 68.77429 177.7017 
1 1 1   -9    3   32 o  739.669   86.075   8.8890   1.9563   8.1986   2.3730   10.354   3.4563  701.369  111.806  774.497  147.916 -73.12744 185.4173 
1 1 1   -9    3   34 o  1360.73  154.276   32.091   6.4572   32.091   6.4572   0.0000   0.0000  1360.73  154.276  ?   ?  0.000000 154.2759 
1 1 1   -9    3   36 o  2273.93  122.113   87.408   8.6629   87.408   8.6629   0.0000   0.0000  2273.93  122.113  ?   ?  0.000000 122.1127 
1 1 1   -9    3   38 o  1974.38  110.572   65.619   6.8084   65.619   6.8084   0.0000   0.0000  1974.38  110.572  ?   ?  0.000000 110.5721 
1 1 1   -9    3   40 o  1785.26  111.093   53.697   6.1794   53.697   6.1794   0.0000   0.0000  1785.26  111.093  ?   ?  0.000000 111.0932 
1 1 1   -9    3   42 o  2432.89   99.577   98.159   7.5858   99.625   9.3085   95.261   13.089  2412.44  123.643  2237.12  188.607 175.3140 225.5222 
1 1 1   -9    3   44 f  3130.79  115.487  167.177   11.322  166.977   13.889  167.575   19.546  3057.23  145.081  2835.94  221.883 221.2905 265.1048 
1 1 1   -9    3   46 o  2874.25  108.744  141.409   9.7869  145.841   12.014  132.667   16.875  2855.45  134.367  2476.62  219.887 378.8333 257.6912 
1 1 1   -9    3   48 o  4229.58  149.273  336.797   19.769  346.624   24.236  317.253   34.177  4086.00  189.424  3050.14  365.104 1035.868 411.3181 
1 1 1   -9    3   50 o  2006.53   95.556   69.265   6.0037   68.672   7.3826   70.422   10.317  1941.54  122.057  1813.54  184.232 128.0021 220.9960 
1 1 1   -9    3   52 o  854.520  133.892   14.588   3.4649   12.929   5.2241   15.890   4.6298  656.766  217.802  812.442  186.003 -155.6758 286.4170 
1 1 1   -9    3   54 o  2242.21  158.211  124.239   11.037  129.729   15.719  118.901   15.500  1531.62  336.912  1357.53  359.098 174.0939 492.4032 
1 1 1   -9    3   56 o  1700.19  158.600   82.921   8.3459   86.157   11.960   79.850   11.652  887.169  326.845  832.721  319.147 54.44824 456.8184 
1 1 1   -9    3   58 o  492.048  237.885   71.652   11.163   71.652   11.163   0.0000   0.0000  492.048  237.885  ?   ?  0.000000 237.8847 
1 1 1   -9    3   60 o  585.002  199.650   23.191   4.3880   21.564   6.4876   24.562   5.9575  312.605  156.509  365.922  176.133 -53.31775 235.6225 
1 1 1   -9    3   62 o  ?   ?    40.337   7.8056   0.0000   0.0000   40.337   7.8056  ?   ?   ?   ?  0.000000      ? 
1 1 1   -9    4    1 o  3567.52  112.754  200.123   12.595  208.849   15.436  182.739   21.788  3641.00  135.395  3385.89  206.494 255.1079 246.9245 
1 1 1   -9    4    3 o  2887.15  125.531  131.192   11.348  118.816   16.069  143.507   16.029  2732.26  188.985  3008.19  170.879 -275.9260 254.7842 
1 1 1   -9    4    5 o  565.344   98.073   5.1642   1.6732   4.0948   2.3764   6.2154   2.3562  503.598  143.657  617.288  126.160 -113.6900 191.1904 
1 1 1   -9    4    7 o  406.606   89.278   2.6975   1.1055   3.4357   1.9458   2.3456   1.3434  460.815  129.484  381.335  107.747 79.47903 168.4508 
1 1 1   -9    4    9 o  1012.29   77.939   16.179   2.4515   13.784   4.2642   17.360   2.9961  921.918  153.085  1047.14   92.320 -125.2241 178.7684 
1 1 1   -9    4   11 o  1990.75   86.006   62.269   5.3612   68.160   9.3361   59.371   6.5486  2071.10  144.874  1938.87  108.298 132.2267 180.8786 
1 1 1   -9    4   13 o  3377.24  112.252  179.865   11.871  160.287   20.569  189.642   14.536  3153.71  209.483  3462.51  134.068 -308.8059 248.7112 
1 1 1   -9    4   15 o  3144.59   92.738  155.709   9.1315  163.425   12.924  148.017   12.904  3213.11  128.455  3056.18  134.841 156.9260 186.2328 
1 1 1   -9    4   17 o  1838.00   85.264   53.176   4.9071   61.620   8.4958   48.948   6.0112  1965.16  138.964  1756.99  109.814 208.1624 177.1161 
1 1 1   -9    4   19 o  563.644  109.647   5.1914   1.8655   4.5898   2.6049   5.8248   2.6729  529.634  150.169  593.253  145.090 -63.61859 208.8106 
1 1 1   -9    4   21 o  579.859   89.049   5.4243   1.5652   5.0902   2.7273   5.5884   1.9112  555.246  152.291  585.139  108.300 -29.89301 186.8731 
1 1 1   -9    4   23 o  544.286   91.024   4.8069   1.4965   4.9718   1.8794   4.5212   2.4739  549.625  112.978  523.004  145.667 26.62054 184.3445 
1 1 1   -9    4   25 o  2059.14  108.850   67.836   6.9933   64.328   9.8853   71.350   9.8948  1980.19  160.817  2090.97  152.172 -110.7715 221.4010 
1 1 1   -9    4   27 o  1936.30   85.760   59.639   5.1997   60.392   6.3852   58.156   8.9588  1937.96  105.622  1874.19  154.020 63.76099 186.7568 
1 1 1   -9    4   29 o  562.076   87.747   5.1619   1.4939   6.5860   1.8438   2.4402   2.5489  634.154   95.842  414.312  151.153 219.8419 178.9771 
1 1 1   -9    4   31 o  1053.13   82.252   17.831   2.6908   16.832   3.3089   19.781   4.6235  1014.42  105.727  1084.42  139.389 -69.99725 174.9498 
1 1 1   -9    4   33 o  1892.16  110.884   58.781   6.5410   53.163   9.3199   64.233   9.1823  1742.70  173.083  1939.19  152.452 -196.4843 230.6497 
1 1 1   -9    4   35 o  1391.72   82.868   31.392   3.5949   30.540   4.4197   33.058   6.1796  1359.03  104.664  1381.75  144.989 -22.71375 178.8195 
1 1 1   -9    4   37 o  1168.78  109.639   22.973   3.9656   22.973   3.9656   0.0000   0.0000  1168.78  109.639  ?   ?  0.000000 109.6389 
1 1 1   -9    4   39 o  1045.85  110.086   18.473   3.5510   18.473   3.5510   0.0000   0.0000  1045.85  110.086  ?   ?  0.000000 110.0863 
1 1 1   -9    4   41 o  1763.69  111.579   52.292   6.1303   52.292   6.1303   0.0000   0.0000  1763.69  111.579  ?   ?  0.000000 111.5789 
1 1 1   -9    4   43 o  1078.30  107.423   19.641   3.5788   19.641   3.5788   0.0000   0.0000  1078.30  107.423  ?   ?  0.000000 107.4231 
1 1 1   -9    4   45 o  3972.17  136.056  279.898   16.922  288.830   20.755  262.184   29.229  3910.24  169.511  3224.42  292.681 685.8203 338.2252 
1 1 1   -9    4   47 o  386.147  122.072   2.6572   1.6525   1.9187   2.0768   3.9316   2.7283  354.341  134.992  456.407  157.370 -102.0661 207.3361 
1 1 1   -9    4   49 o  1222.33   87.536   25.214   3.3282   30.487   4.1217   15.332   5.6422  1330.66   99.645  803.723  218.468 526.9337 240.1192 
1 1 1   -9    4   51 o  2699.95  113.066  132.438   9.5589  134.440   11.740  128.502   16.464  2608.08  144.322  2162.72  247.578 445.3628 286.5722 
1 1 1   -9    4   53 o  1909.34  102.018   68.472   6.0772   69.276   7.4741   66.903   10.440  1822.71  131.845  1449.32  238.327 373.3809 272.3653 
1 1 1   -9    4   55 o  833.562  146.306   17.327   3.6794   24.200   5.5974   12.097   4.8825  788.632  218.919  491.477  200.620 297.1549 296.9413 
1 1 1   -9    4   57 f  510.482  169.897   10.113   3.1777   18.273   4.9546   4.4100   4.1418  542.148  208.033  306.693  147.438 235.4546 254.9811 
1 1 1   -9    4   59 o  459.677  214.588   40.340   7.6155   0.0000   0.0000   40.340   7.6155  ?   ?   459.677  214.588 0.000000 214.5879 
1 1 1   -9    4   61 o  334.547  166.329   32.747   6.7937   0.0000   0.0000   32.747   6.7937  ?   ?   334.547  166.329 0.000000 166.3295 
1 1 1   -9    4   63 o  ?   ?    21.121   5.6561   0.0000   0.0000   21.121   5.6561  ?   ?   ?   ?  0.000000      ? 
1 1 1   -9    5    2 o  1265.44   77.832   25.224   3.0691   24.682   3.7663   26.295   5.2949  1249.59   97.017  1284.75  133.572 -35.15698 165.0867 
1 1 1   -9    5    4 o  1662.78   70.201   43.369   3.6551   43.377   5.1703   43.362   5.1678  1658.31  100.039  1658.04  100.006 0.2713623 141.4534 
1 1 1   -9    5    6 o  2574.84   81.153  104.077   6.5429  100.492   9.2461  107.673   9.2601  2526.46  116.877  2615.65  113.062 -89.18457 162.6139 
1 1 1   -9    5    8 o  1801.27   73.193   50.919   4.1283   51.478   5.8399   50.361   5.8366  1806.02  103.703  1786.10  104.819 19.91675 147.4494 
1 1 1   -9    5   10 o  1228.17   66.352   23.737   2.5422   24.563   3.6137   22.926   3.5771  1246.41   93.268  1203.59   95.706 42.81030 133.6361 
1 1 1   -9    5   12 o  2159.68   77.907   73.279   5.2685   73.721   7.4551   72.839   7.4464  2159.59  110.618  2146.50  111.170 13.08545 156.8288 
1 1 1   -9    5   14 o  1627.53   83.555   41.768   4.2438   46.001   7.3118   39.618   5.2113  1698.02  138.732  1581.51  105.846 116.5168 174.4990 
1 1 1   -9    5   16 o  2206.42   90.558   76.663   6.2565   84.515   10.821   72.720   7.6681  2300.11  151.089  2142.21  114.733 157.9053 189.7141 
1 1 1   -9    5   18 o  823.016  139.100   11.048   3.4569   11.048   3.4569   0.0000   0.0000  823.016  139.100  ?   ?  0.000000 139.0997 
1 1 1   -9    5   20 o  1044.73   80.014   17.286   2.5976   16.485   3.2085   18.809   4.4253  1016.38  102.202  1079.56  133.775 -63.18652 168.3477 
1 1 1   -9    5   22 o  1466.60   79.135   34.005   3.6206   36.320   4.4625   29.544   6.1938  1512.76   94.685  1349.68  149.045 163.0830 176.5779 
1 1 1   -9    5   24 o  1708.32   82.667   46.154   4.4220   47.611   5.4400   43.315   7.5922  1728.01  100.978  1629.94  150.456 98.07202 181.2007 
1 1 1   -9    5   26 o  932.298   99.093   14.019   2.8484   14.895   4.0917   13.196   3.9677  947.307  142.343  888.688  147.775 58.61920 205.1806 
1 1 1   -9    5   28 o  294.069   99.234   1.3028   1.0839   0.9217   1.3317   2.0509   1.8659  283.104  108.038  372.036  130.035 -88.93250 169.0600 
1 1 1   -9    5   30 o  2264.73   91.026   82.220   6.4551   86.093   7.9284   74.604   11.118  2305.23  109.838  2090.99  171.305 214.2424 203.4939 
1 1 1   -9    5   32 o  1707.69   86.298   46.915   4.5996   47.290   5.6553   46.182   7.9056  1702.62  106.614  1646.29  155.191 56.33105 188.2832 
1 1 1   -9    5   34 o  768.346  108.843   9.8581   2.5454   9.4477   3.8087   10.189   3.4218  721.628  171.150  762.185  148.714 -40.55792 226.7335 
1 1 1   -9    5   36 f  2779.88  102.821  127.553   8.9500  132.817   10.992  117.199   15.417  2801.92  125.287  2490.30  199.378 311.6182 235.4751 
1 1 1   -9    5   38 o  1345.26  106.381   30.249   4.4446   30.249   4.4446   0.0000   0.0000  1345.26  106.381  ?   ?  0.000000 106.3812 
1 1 1   -9    5   40 o  2899.67  134.147  144.350   12.180  144.350   12.180   0.0000   0.0000  2899.67  134.147  ?   ?  0.000000 134.1473 
1 1 1   -9    5   42 o  2081.95  114.746   73.079   7.4515   73.079   7.4515   0.0000   0.0000  2081.95  114.746  ?   ?  0.000000 114.7463 
1 1 1   -9    5   44 o  4812.01  223.177  480.153   33.627  480.153   33.627   0.0000   0.0000  4812.01  223.177  ?   ?  0.000000 223.1768 
1 1 1   -9    5   46 o  1088.23   86.633   19.698   2.9276   17.521   3.6258   23.777   4.9623  1001.68  117.855  1143.59  141.607 -141.9100 184.2349 
1 1 1   -9    5   48 o  1996.96   94.500   67.280   5.9090   67.613   7.2884   66.640   10.094  1957.93  119.454  1822.44  179.203 135.4894 215.3674 
1 1 1   -9    5   50 o  1883.75   95.920   61.166   5.6391   59.550   6.9516   64.275   9.6431  1804.93  123.748  1747.17  178.783 57.76526 217.4324 
1 1 1   -9    5   52 o  3459.02  137.128  242.320   14.852  256.468   18.248  214.550   25.564  3323.82  175.958  1782.00  456.205 1541.820 488.9627 
1 1 1   -9    5   54 o  174.796   84.772  -1.6799   1.4449  -0.4988   1.8485  -3.5347   2.3165  226.915  105.860  198.392   98.379 28.52286 144.5154 
1 1 1   -9    5   56 o  1971.06  179.373  125.189   10.950  140.488   15.510  109.987   15.460  1008.16  372.074  636.980  300.011 371.1824 477.9602 
1 1 1   -9    5   58 o  ?   ?   167.926   19.543   0.0000   0.0000  167.926   19.543  ?   ?   ?   ?  0.000000      ? 
1 1 1   -9    5   60 o  441.043  174.168   13.401   3.5531   17.148   5.7538   11.091   4.5174  313.810  155.512  306.867  149.069 6.943085 215.4198 
1 1 1   -9    5   62 o  383.659  166.898   16.545   3.7447   26.183   5.9063   10.066   4.8424  298.256  149.327  238.396  121.113 59.86009 192.2674 
1 1 1   -9    6    1 o  3445.29   97.744  186.646   10.545  193.313   14.918  179.988   14.907  3499.20  136.148  3375.41  141.043 123.7827 196.0347 
1 1 1   -9    6    3 o  2258.00   76.270   80.032   5.3926   74.837   7.6232   85.235   7.6293  2177.36  112.193  2327.57  104.681 -150.2107 153.4449 
1 1 1   -9    6    5 o  945.084   65.101   14.077   1.9148   16.694   2.7390   11.575   2.6778  1027.34   85.936  851.773  102.457 175.5663 133.7252 
1 1 1   -9    6    7 o  2300.18   78.543   83.081   5.6570   86.683   8.0116   79.499   7.9890  2346.29  109.048  2243.50  114.099 102.7834 157.8292 
1 1 1   -9    6    9 o  1468.63   69.713   33.855   3.2058   30.887   4.5270   36.841   4.5405  1396.77  104.258  1527.39   95.416 -130.6177 141.3293 
1 1 1   -9    6   11 o  6139.18  214.255  605.880   41.187  627.107   58.252  584.661   58.242  6167.30  301.648  5935.17  314.513 232.1333 435.7863 
1 1 1   -9    6   13 o  1650.86  100.467   43.099   5.1687   44.732   7.3286   41.483   7.2908  1673.98  141.131  1610.48  146.171 63.50159 203.1840 
1 1 1   -9    6   15 o  289.248  100.423   1.1817   1.1119   2.3686   1.5603  -0.0430   1.5850  386.612  118.055  258.776  110.519 127.8358 161.7146 
1 1 1   -9    6   17 f  2918.15  125.109  134.884   11.432  134.884   11.432   0.0000   0.0000  2918.15  125.109  ?   ?  0.000000 125.1087 
1 1 1   -9    6   19 o  2014.44   88.100   63.956   5.5571   61.215   6.8140   69.401   9.6027  1963.88  111.266  2080.86  148.350 -116.9774 185.4396 
1 1 1   -9    6   21 o  1288.18   80.365   26.255   3.2255   25.799   3.9778   27.129   5.5113  1273.14  100.602  1296.70  137.852 -23.56409 170.6573 
1 1 1   -9    6   23 o  2688.35   97.041  114.628   8.1688  120.655   10.033  102.773   14.071  2750.32  116.497  2500.36  180.945 249.9602 215.2042 
1 1 1   -9    6   25 o  1376.69  100.252   30.370   4.2919   30.362   6.1837   30.379   5.9618  1358.61  147.739  1361.48  141.931 -2.876099 204.8687 
1 1 1   -9    6   27 o  2590.25  118.308  108.441   9.5956  119.645   13.608   97.362   13.533  2679.36  162.971  2398.78  181.513 280.5823 243.9397 
1 1 1   -9    6   29 o  756.032   86.075   9.2357   2.0013   7.6084   2.4571   12.444   3.4499  675.041  120.673  863.271  131.804 -188.2296 178.7011 
1 1 1   -9    6   31 o  2359.52  116.377   90.817   8.5982   89.509   12.151   92.128   12.168  2285.12  171.065  2321.34  168.553 -36.21753 240.1531 
1 1 1   -9    6   33 f  1614.24  103.625   42.597   5.2102   40.634   7.3659   44.562   7.3707  1537.19  155.154  1617.41  147.145 -80.22144 213.8328 
1 1 1   -9    6   35 o  2691.21  126.557  121.901   10.665  120.499   15.088  123.302   15.077  2563.76  189.283  2598.95  186.506 -35.18848 265.7303 
1 1 1   -9    6   37 o  1426.79  103.754   33.792   4.6036   31.835   6.5445   35.710   6.4770  1334.79  159.757  1427.50  147.008 -92.70801 217.1028 
1 1 1   -9    6   39 o  2681.51  196.155  134.895   16.356  134.895   16.356   0.0000   0.0000  2681.51  196.155  ?   ?  0.000000 196.1548 
1 1 1   -9    6   41 o  2227.98  123.015   84.031   8.5487   84.031   8.5487   0.0000   0.0000  2227.98  123.015  ?   ?  0.000000 123.0150 
1 1 1   -9    6   43 o  1605.41  107.075   43.220   5.3517   43.220   5.3517   0.0000   0.0000  1605.41  107.075  ?   ?  0.000000 107.0754 
1 1 1   -9    6   45 o  1616.18  110.184   44.464   5.5428   44.464   5.5428   0.0000   0.0000  1616.18  110.184  ?   ?  0.000000 110.1838 
1 1 1   -9    6   47 o  365.342  141.296   1.9813   2.2987   1.9813   2.2987   0.0000   0.0000  365.342  141.296  ?   ?  0.000000 141.2960 
1 1 1   -9    6   49 o  1791.58   91.007   54.265   5.0886   56.078   6.3052   50.878   8.6177  1785.55  113.362  1583.42  176.832 202.1376 210.0487 
1 1 1   -9    6   51 o  1206.37  109.911   26.453   4.1063   23.407   5.7642   29.593   5.8511  1011.84  188.879  1188.68  161.373 -176.8404 248.4281 
1 1 1   -9    6   53 o  2654.94  170.943  174.042   14.135  182.134   19.996  165.958   19.985  1853.33  357.519  1560.97  405.297 292.3541 540.4492 
1 1 1   -9    6   55 o  313.150  127.779   2.3220   1.9797   4.3029   2.6949  -0.0002   2.9179  374.781  150.461  265.855  126.702 108.9261 196.7026 
1 1 1   -9    6   57 o  2578.56  211.335  280.218   16.913  294.192   20.774  252.742   29.130  1381.90  432.236  ?   ?  0.000000 432.2364 
1 1 1   -9    6   59 o  760.083  126.709   16.105   2.9095   20.102   3.6911   9.5464   4.7283  749.329  162.030  312.108  151.821 437.2213 222.0436 
1 1 1   -9    6   61 o  582.169  208.509   29.005   4.8219   30.403   7.5001   28.020   6.2953  297.347  151.029  337.474  166.395 -40.12659 224.7155 
1 1 1   -9    7    2 o  1271.49   95.313   25.568   3.7671   25.568   3.7671   0.0000   0.0000  1271.49   95.313  ?   ?  0.000000 95.31316 
1 1 1   -9    7    4 o  818.185   77.665   10.607   1.9659   10.610   2.4333   10.600   3.3359  815.579   97.196  808.180  136.695 7.398926 167.7284 
1 1 1   -9    7    6 o  3133.71  106.954  154.668   10.495  149.363   12.864  165.223   18.146  3074.37  133.635  3216.26  180.922 -141.8909 224.9246 
1 1 1   -9    7    8 o  1745.11  102.098   48.114   5.5547   45.567   7.8575   50.658   7.8535  1689.17  150.122  1783.53  141.798 -94.35718 206.5023 
1 1 1   -9    7   10 f  1919.08  104.963   58.201   6.2835   55.370   8.8850   61.035   8.8873  1861.66  153.796  1957.02  146.084 -95.35913 212.1171 
1 1 1   -9    7   12 o  1469.62   78.368   34.037   3.5933   37.495   4.4275   27.365   6.1502  1540.81   92.192  1304.05  153.562 236.7582 179.1106 
1 1 1   -9    7   14 o  2889.44  124.322  132.041   11.248  136.457   15.915  127.632   15.900  2918.09  174.982  2819.53  181.049 98.56519 251.7881 
1 1 1   -9    7   16 o  4270.13  159.920  290.769   21.383  301.781   30.249  279.770   30.231  4306.75  225.087  4139.92  234.165 166.8354 324.8035 
1 1 1   -9    7   18 o  1852.81  103.323   54.389   5.9705   60.761   8.4717   48.100   8.4158  1949.46  139.710  1728.38  157.222 221.0809 210.3271 
1 1 1   -9    7   20 o  2417.37  114.311   92.699   8.6526   99.166   12.243   86.246   12.230  2480.78  158.441  2307.67  170.458 173.1160 232.7219 
1 1 1   -9    7   22 o  1172.14   97.068   21.920   3.5306   24.075   4.9855   19.752   5.0005  1219.31  132.725  1098.07  149.306 121.2393 199.7698 
1 1 1   -9    7   24 o  1980.42  155.127   64.287   9.5428   0.0000   0.0000   64.287   9.5428  ?   ?   1980.42  155.127 0.000000 155.1271 
1 1 1   -9    7   26 o  1720.48  103.701   47.572   5.5605   47.268   7.8684   47.875   7.8591  1691.45  150.124  1703.07  148.871 -11.62720 211.4231 
1 1 1   -9    7   28 o  1135.06   99.012   20.803   3.4838   18.754   4.9463   22.821   4.9076  1054.79  154.324  1174.05  136.013 -119.2628 205.7075 
1 1 1   -9    7   30 o  2324.73  115.360   87.813   8.3974   84.099   11.877   91.527   11.875  2221.01  172.120  2325.98  164.098 -104.9690 237.8095 
1 1 1   -9    7   32 o  2628.50  123.296  113.795   10.148  110.453   14.367  117.122   14.335  2510.12  184.077  2594.65  177.512 -84.52856 255.7239 
1 1 1   -9    7   34 o  2228.36  115.851   82.369   8.0557   78.393   11.391   86.347   11.394  2100.62  174.766  2218.94  165.170 -118.3179 240.4668 
1 1 1   -9    7   36 o  1646.29  105.777   44.862   5.4239   48.653   7.7002   41.129   7.6412  1671.91  148.637  1521.42  162.931 150.4890 220.5434 
1 1 1   -9    7   38 o  1365.39  103.848   30.839   4.4066   31.625   6.2508   30.063   6.2131  1344.10  151.142  1306.91  154.836 37.19434 216.3753 
1 1 1   -9    7   40 o  1654.44  158.523   48.294   8.1117   48.294   8.1117   0.0000   0.0000  1654.44  158.523  ?   ?  0.000000 158.5229 
1 1 1   -9    7   42 o  1473.43  157.702   38.729   7.1629   38.729   7.1629   0.0000   0.0000  1473.43  157.702  ?   ?  0.000000 157.7024 
1 1 1   -9    7   44 o  2997.48  224.979  185.049   20.962  185.049   20.962   0.0000   0.0000  2997.48  224.979  ?   ?  0.000000 224.9792 
1 1 1   -9    7   46 o  3071.67  244.199  210.562   23.294  210.562   23.294   0.0000   0.0000  3071.67  244.199  ?   ?  0.000000 244.1995 
1 1 1   -9    7   48 o  2040.77  184.441   83.721   11.659   83.721   11.659   0.0000   0.0000  2040.77  184.441  ?   ?  0.000000 184.4409 
1 1 1   -9    7   50 o  1825.84  115.634   59.941   6.5768   64.041   9.3785   55.974   9.2255  1755.39  172.868  1610.26  186.415 145.1315 254.2317 
1 1 1   -9    7   52 o  1615.96  116.752   50.181   5.8679   47.468   8.2409   52.970   8.3571  1359.41  199.541  1473.81  185.180 -114.4036 272.2280 
1 1 1   -9    7   54 f  893.254  122.468   17.040   3.3352   17.976   4.6685   16.064   4.7665  765.289  194.432  679.424  206.086 85.86438 283.3292 
1 1 1   -9    7   56 o  343.857  150.311   4.2416   3.0698   4.2416   3.0698   0.0000   0.0000  343.857  150.311  ?   ?  0.000000 150.3111 
1 1 1   -9    7   58 o  1489.31  111.631   53.492   5.1679   53.765   6.4070   52.985   8.7430  1258.24  166.727  611.572  260.341 646.6689 309.1521 
1 1 1   -9    7   60 o  1749.52  155.714  112.862   8.4411  122.079   10.441   95.470   14.342  1196.05  283.172  ?   ?  0.000000 283.1723 
1 1 1   -9    7   62 o  299.261  142.421   11.327   3.6595   2.2932   6.1608   16.252   4.5491  ?   ?   300.810  146.895 0.000000 146.8945 
1 1 1   -9    8    1 o  3687.89  143.622  215.281   16.585  215.281   16.585   0.0000   0.0000  3687.89  143.622  ?   ?  0.000000 143.6215 
1 1 1   -9    8    3 o  1812.16  147.484   52.343   8.2961   52.343   8.2961   0.0000   0.0000  1812.16  147.484  ?   ?  0.000000 147.4841 
1 1 1   -9    8    5 o  1747.46  145.602   48.678   7.8944   48.678   7.8944   0.0000   0.0000  1747.46  145.602  ?   ?  0.000000 145.6020 
1 1 1   -9    8    7 o  2493.71  165.828   99.253   12.875   99.253   12.875   0.0000   0.0000  2493.71  165.828  ?   ?  0.000000 165.8278 
1 1 1   -9    8    9 o  1799.56  147.827   51.665   8.2563   51.665   8.2563   0.0000   0.0000  1799.56  147.827  ?   ?  0.000000 147.8274 
1 1 1   -9    8   11 o  1335.35  139.598   28.539   5.7507   28.539   5.7507   0.0000   0.0000  1335.35  139.598  ?   ?  0.000000 139.5979 
1 1 1   -9    8   13 o  3751.90  146.004  223.409   17.153  224.836   24.262  221.983   24.253  3732.47  208.427  3707.96  209.748 24.51099 295.6961 
1 1 1   -9    8   15 o  2324.38  112.343   85.345   8.1765   86.651   11.575   84.045   11.552  2326.34  159.871  2290.22  162.135 36.12183 227.6985 
1 1 1   -9    8   17 o  2577.29  117.205  105.165   9.4586  114.695   13.388   95.671   13.365  2673.99  160.647  2435.22  176.463 238.7673 238.6354 
1 1 1   -9    8   19 o  1787.44  103.308   50.717   5.7574   53.247   8.1559   48.204   8.1285  1819.99  144.298  1728.74  151.696 91.24939 209.3650 
1 1 1   -9    8   21 o  2587.87  118.544  106.740   9.6059  111.363   13.599  102.136   13.570  2615.98  166.891  2500.48  174.415 115.5044 241.3982 
1 1 1   -9    8   23 o  1836.15  151.016   55.078   8.6056   0.0000   0.0000   55.078   8.6056  ?   ?   1836.15  151.016 0.000000 151.0158 
1 1 1   -9    8   25 o  499.786  109.864   4.1545   1.6725   3.5222   2.3690   4.7827   2.3614  465.173  146.042  532.670  139.809 -67.49710 202.1751 
1 1 1   -9    8   27 o  3639.17  146.977  217.585   16.748  224.684   23.709  210.513   23.663  3604.96  210.952  3477.43  218.425 127.5315 303.6611 
1 1 1   -9    8   29 o  2179.51  112.545   77.020   7.6545   77.705   10.835   76.338   10.815  2150.18  162.127  2129.97  163.403 20.21118 230.1861 
1 1 1   -9    8   31 o  811.076  102.691   10.789   2.5496   11.960   3.6314   9.6505   3.5804  837.819  143.591  744.478  158.456 93.34088 213.8379 
1 1 1   -9    8   33 o  1946.78  109.863   62.282   6.6697   57.348   9.4468   67.186   9.4181  1811.47  168.478  1979.09  153.171 -167.6187 227.6981 
1 1 1   -9    8   35 o  1570.91  104.276   40.634   5.1001   44.027   7.2249   37.264   7.2005  1598.90  145.916  1456.56  160.542 142.3390 216.9448 
1 1 1   -9    8   37 o  1721.81  106.715   48.914   5.7251   51.271   8.0979   46.560   8.0952  1719.04  152.008  1628.38  160.868 90.65869 221.3259 
1 1 1   -9    8   39 o  1363.24  152.648   32.340   6.4042   32.340   6.4042   0.0000   0.0000  1363.24  152.648  ?   ?  0.000000 152.6482 
1 1 1   -9    8   41 o  802.179  165.430   11.684   4.0173   11.684   4.0173   0.0000   0.0000  802.179  165.430  ?   ?  0.000000 165.4300 
1 1 1   -9    8   43 o  1246.24  154.476   27.790   5.8989   27.790   5.8989   0.0000   0.0000  1246.24  154.476  ?   ?  0.000000 154.4762 
1 1 1   -9    8   45 o  1654.90  163.586   50.488   8.3659   50.488   8.3659   0.0000   0.0000  1654.90  163.586  ?   ?  0.000000 163.5861 
1 1 1   -9    8   47 f  2000.57  178.231   77.494   11.048   77.494   11.048   0.0000   0.0000  2000.57  178.231  ?   ?  0.000000 178.2313 
1 1 1   -9    8   49 o  2691.10  239.849  174.189   19.999  174.189   19.999   0.0000   0.0000  2691.10  239.849  ?   ?  0.000000 239.8487 
1 1 1   -9    8   51 o  1057.81  184.476   25.698   5.8881   25.698   5.8881   0.0000   0.0000  1057.81  184.476  ?   ?  0.000000 184.4756 
1 1 1   -9    8   53 o  1905.50  132.120   77.301   7.8343   75.683   11.142   78.883   11.017  1471.65  250.795  1560.61  232.562 -88.96960 342.0281 
1 1 1   -9    8   55 o  925.192  385.833  158.561   18.584  158.561   18.584   0.0000   0.0000  925.192  385.833  ?   ?  0.000000 385.8326 
1 1 1   -9    8   57 o  1856.81  223.753  152.092   12.747  155.530   18.021  148.650   18.034  573.695  282.606  541.490  269.503 32.20538 390.5096 
1 1 1   -9    8   59 f  1341.50  285.121  134.136   11.607  136.415   16.410  131.854   16.421  ?   ?   ?   ?  0.000000      ? 
1 1 1   -9    8   61 o  354.369  173.635   30.546   6.5177   0.0000   0.0000   30.546   6.5177  ?   ?   354.369  173.635 0.000000 173.6355 
1 1 1   -9    9    2 o  3327.32  135.029  175.012   14.068  175.852   19.897  174.171   19.894  3313.65  192.590  3297.36  193.533 16.28687 273.0307 
1 1 1   -9    9    4 o  2680.28  119.168  113.327   10.001  104.766   14.133  121.915   14.155  2559.54  177.435  2766.00  164.170 -206.4622 241.7330 
1 1 1   -9    9    6 f  1964.54  151.273   61.524   9.2339   61.524   9.2339   0.0000   0.0000  1964.54  151.273  ?   ?  0.000000 151.2726 
1 1 1   -9    9    8 o  552.738  141.869   5.0202   2.4678   5.0202   2.4678   0.0000   0.0000  552.738  141.869  ?   ?  0.000000 141.8691 
1 1 1   -9    9   10 o  2425.84  164.278   94.015   12.405   94.015   12.405   0.0000   0.0000  2425.84  164.278  ?   ?  0.000000 164.2782 
1 1 1   -9    9   12 o  685.539  143.546   7.7265   2.9825   7.7265   2.9825   0.0000   0.0000  685.539  143.546  ?   ?  0.000000 143.5456 
1 1 1   -9    9   14 f  998.488  140.608   16.125   4.2744   16.125   4.2744   0.0000   0.0000  998.488  140.608  ?   ?  0.000000 140.6077 
1 1 1   -9    9   16 o  2368.30  163.270   90.138   12.034   90.138   12.034   0.0000   0.0000  2368.30  163.270  ?   ?  0.000000 163.2700 
1 1 1   -9    9   18 o  3336.77  197.223  181.747   20.515  181.747   20.515   0.0000   0.0000  3336.77  197.223  ?   ?  0.000000 197.2234 
1 1 1   -9    9   20 o  1247.56  141.297   25.280   5.4224   25.280   5.4224   0.0000   0.0000  1247.56  141.297  ?   ?  0.000000 141.2973 
1 1 1   -9    9   24 o  2670.08  177.644  118.676   14.767  118.676   14.767   0.0000   0.0000  2670.08  177.644  ?   ?  0.000000 177.6444 
1 1 1   -9    9   26 o  906.622  143.482   13.710   3.9377   13.710   3.9377   0.0000   0.0000  906.622  143.482  ?   ?  0.000000 143.4825 
1 1 1   -9    9   28 o  995.112   98.804   16.013   3.0380   14.126   4.2941   17.904   4.2985  912.843  155.825  1039.10  135.323 -126.2568 206.3828 
1 1 1   -9    9   30 o  796.626  104.233   10.402   2.5377   10.690   3.5730   10.107   3.6048  790.281  149.874  765.519  155.688 24.76178 216.1037 
1 1 1   -9    9   32 o  2764.88  189.510  135.290   16.308  135.290   16.308   0.0000   0.0000  2764.88  189.510  ?   ?  0.000000 189.5099 
1 1 1   -9    9   34 o  1143.98  152.216   22.662   5.3172   22.662   5.3172   0.0000   0.0000  1143.98  152.216  ?   ?  0.000000 152.2162 
1 1 1   -9    9   36 o  3059.27  208.035  172.648   19.810  172.648   19.810   0.0000   0.0000  3059.27  208.035  ?   ?  0.000000 208.0347 
1 1 1   -9    9   38 o  1630.62  155.355   45.932   7.8363   45.932   7.8363   0.0000   0.0000  1630.62  155.355  ?   ?  0.000000 155.3550 
1 1 1   -9    9   40 o  1626.35  155.681   46.025   7.8312   46.025   7.8312   0.0000   0.0000  1626.35  155.681  ?   ?  0.000000 155.6811 
1 1 1   -9    9   42 o  1042.75  153.360   19.274   4.8578   19.274   4.8578   0.0000   0.0000  1042.75  153.360  ?   ?  0.000000 153.3599 
1 1 1   -9    9   44 o  1594.26  159.978   45.906   7.8784   45.906   7.8784   0.0000   0.0000  1594.26  159.978  ?   ?  0.000000 159.9778 
1 1 1   -9    9   46 o  1247.87  158.807   28.622   6.0646   28.622   6.0646   0.0000   0.0000  1247.87  158.807  ?   ?  0.000000 158.8074 
1 1 1   -9    9   48 o  1396.95  164.621   37.452   7.0626   37.452   7.0626   0.0000   0.0000  1396.95  164.621  ?   ?  0.000000 164.6207 
1 1 1   -9    9   50 o  1225.13  172.433   31.674   6.4318   31.674   6.4318   0.0000   0.0000  1225.13  172.433  ?   ?  0.000000 172.4330 
1 1 1   -9    9   52 o  1066.73  191.336   28.940   6.1562   28.940   6.1562   0.0000   0.0000  1066.73  191.336  ?   ?  0.000000 191.3357 
1 1 1   -9    9   54 o  821.505  213.166   22.842   5.5306   22.842   5.5306   0.0000   0.0000  821.505  213.166  ?   ?  0.000000 213.1663 
1 1 1   -9    9   56 o  2057.61  195.040  146.304   12.416  139.083   17.549  153.542   17.570  679.302  319.851  807.749  356.143 -128.4468 478.6882 
1 1 1   -9    9   58 o  1098.74  144.092   34.887   4.8379   30.003   6.6238   40.471   7.0829  547.978  229.586  715.057  253.070 -167.0788 341.6926 
1 1 1   -9    9   60 o  308.457  133.628   4.5812   2.3808   3.3056   3.0693   6.5082   3.7723  259.324  125.213  289.186  139.430 -29.86191 187.4005 
1 1 1   -9   10    1 o  1880.56  105.060   55.875   6.1617   57.623   8.7125   54.126   8.7155  1901.61  147.474  1841.53  152.519 60.08386 212.1568 
1 1 1   -9   10    3 o  3623.82  142.588  207.890   16.180  211.445   22.880  204.334   22.882  3629.31  202.139  3565.97  205.805 63.34033 288.4713 
1 1 1   -9   10    5 o  2966.14  181.303  140.750   16.758  140.750   16.758   0.0000   0.0000  2966.14  181.303  ?   ?  0.000000 181.3033 
1 1 1   -9   10    7 o  456.831  109.477   3.4213   1.5456   3.8414   2.1861   3.0014   2.1854  486.331  137.457  440.015  140.517 46.31592 196.5695 
1 1 1   -9   10    9 o  1344.99   97.916   28.635   4.0954   26.452   5.7918   30.818   5.7918  1283.46  146.754  1389.05  134.863 -105.5798 199.3107 
1 1 1   -9   10   11 o  1125.96   96.663   20.115   3.3750   19.619   4.7824   20.607   4.7636  1103.48  141.680  1132.34  137.147 -28.85742 197.1865 
1 1 1   -9   10   13 o  1709.33  102.628   46.260   5.4675   43.578   7.7473   48.920   7.7173  1647.86  151.854  1749.24  142.126 -101.3782 207.9891 
1 1 1   -9   10   15 o  2422.76  165.602   94.483   12.488   94.483   12.488   0.0000   0.0000  2422.76  165.602  ?   ?  0.000000 165.6024 
1 1 1   -9   10   17 o  1577.86  145.369   40.150   7.1014   40.150   7.1014   0.0000   0.0000  1577.86  145.369  ?   ?  0.000000 145.3689 
1 1 1   -9   10   19 o  2270.37  162.345   83.795   11.465   83.795   11.465   0.0000   0.0000  2270.37  162.345  ?   ?  0.000000 162.3452 
1 1 1   -9   10   23 o  1729.34  149.968   49.000   8.0404   49.000   8.0404   0.0000   0.0000  1729.34  149.968  ?   ?  0.000000 149.9681 
1 1 1   -9   10   25 o  539.197  155.158   4.8877   2.7607   4.8877   2.7607   0.0000   0.0000  539.197  155.158  ?   ?  0.000000 155.1577 
1 1 1   -9   10   27 o  1272.61  146.048   26.858   5.7144   26.858   5.7144   0.0000   0.0000  1272.61  146.048  ?   ?  0.000000 146.0477 
1 1 1   -9   10   29 o  1697.44  151.407   48.165   7.9630   48.165   7.9630   0.0000   0.0000  1697.44  151.407  ?   ?  0.000000 151.4071 
1 1 1   -9   10   31 o  1479.68  148.748   37.018   6.7985   37.018   6.7985   0.0000   0.0000  1479.68  148.748  ?   ?  0.000000 148.7480 
1 1 1   -9   10   33 o  1727.14  156.924   51.172   8.3940   51.172   8.3940   0.0000   0.0000  1727.14  156.924  ?   ?  0.000000 156.9241 
1 1 1   -9   10   35 o  2627.20  185.572  122.061   15.168  122.061   15.168   0.0000   0.0000  2627.20  185.572  ?   ?  0.000000 185.5722 
1 1 1   -9   10   37 f  1758.77  157.761   53.082   8.5958   53.082   8.5958   0.0000   0.0000  1758.77  157.761  ?   ?  0.000000 157.7613 
1 1 1   -9   10   39 o  886.465  165.195   13.912   4.4167   13.912   4.4167   0.0000   0.0000  886.465  165.195  ?   ?  0.000000 165.1953 
1 1 1   -9   10   41 o  808.560  163.762   11.753   4.0040   11.753   4.0040   0.0000   0.0000  808.560  163.762  ?   ?  0.000000 163.7617 
1 1 1   -9   10   43 o  1881.66  165.205   63.489   9.6352   63.489   9.6352   0.0000   0.0000  1881.66  165.205  ?   ?  0.000000 165.2050 
1 1 1   -9   10   45 o  1868.52  167.414   63.842   9.6912   63.842   9.6912   0.0000   0.0000  1868.52  167.414  ?   ?  0.000000 167.4136 
1 1 1   -9   10   47 o  1628.39  165.294   49.767   8.3114   49.767   8.3114   0.0000   0.0000  1628.39  165.294  ?   ?  0.000000 165.2941 
1 1 1   -9   10   49 o  1274.81  167.400   32.636   6.5207   32.636   6.5207   0.0000   0.0000  1274.81  167.400  ?   ?  0.000000 167.4003 
1 1 1   -9   10   51 o  1051.38  186.214   26.118   5.9060   26.118   5.9060   0.0000   0.0000  1051.38  186.214  ?   ?  0.000000 186.2135 
1 1 1   -9   10   53 o  944.982  207.311   26.414   5.9656   26.414   5.9656   0.0000   0.0000  944.982  207.311  ?   ?  0.000000 207.3114 
1 1 1   -9   10   55 o  330.818  148.629   2.9643   3.2106   2.9643   3.2106   0.0000   0.0000  330.818  148.629  ?   ?  0.000000 148.6289 
1 1 1   -9   10   57 o  284.160  126.778   2.0450   2.2929   1.7471   3.1358   2.3872   3.3614  279.955  132.824  291.129  137.948 -11.17444 191.4987 
1 1 1   -9   10   59 o  866.919  167.826   26.580   4.3910   25.597   6.0298   27.689   6.4071  478.990  209.989  470.813  210.852 8.176666 297.5799 
1 1 1   -9   11    2 o  2149.54  109.869   73.046   7.3703   69.502   10.409   76.608   10.437  2085.09  160.673  2191.70  153.043 -106.6116 221.8961 
1 1 1   -9   11    4 o  4096.98  155.295  266.582   19.922  272.776   28.176  260.389   28.172  4109.80  219.745  4012.10  225.161 97.70239 314.6194 
1 1 1   -9   11    6 o  1381.23  141.605   30.541   6.0378   0.0000   0.0000   30.541   6.0378  ?   ?   1381.23  141.605 0.000000 141.6052 
1 1 1   -9   11    8 o  3138.34  130.509  155.900   12.825  147.099   18.130  164.715   18.145  3023.50  192.501  3204.76  181.563 -181.2620 264.6166 
1 1 1   -9   11   10 o  255.827  100.617   0.5876   1.1813   1.4113   1.6582  -0.2614   1.6834  332.876  121.844  258.383  112.150 74.49368 165.6003 
1 1 1   -9   11   12 o  1921.69  151.545   59.221   9.0449   59.221   9.0449   0.0000   0.0000  1921.69  151.545  ?   ?  0.000000 151.5448 
1 1 1   -9   11   14 o  1987.32  153.920   63.537   9.5034   63.537   9.5034   0.0000   0.0000  1987.32  153.920  ?   ?  0.000000 153.9197 
1 1 1   -9   11   16 f  865.031   98.505   11.987   2.6206   15.649   3.7765   8.5864   3.6393  983.833  125.444  716.233  165.585 267.6004 207.7370 
1 1 1   -9   11   18 o  1349.72   98.871   29.027   4.1495   30.742   5.8869   27.334   5.8498  1378.09  138.291  1295.99  146.739 82.09778 201.6352 
1 1 1   -9   11   20 o  1339.58   99.251   28.653   4.1335   29.373   5.8688   27.945   5.8229  1343.13  141.682  1308.73  144.503 34.40222 202.3734 
1 1 1   -9   11   22 o  1566.13  101.349   39.203   4.9435   40.226   7.0474   38.213   6.9362  1570.04  144.989  1529.23  146.653 40.80493 206.2257 
1 1 1   -9   11   24 o  1253.99  145.499   25.866   5.6069   25.866   5.6069   0.0000   0.0000  1253.99  145.499  ?   ?  0.000000 145.4993 
1 1 1   -9   11   26 o  2366.43  168.747   93.259   12.422   93.259   12.422   0.0000   0.0000  2366.43  168.747  ?   ?  0.000000 168.7468 
1 1 1   -9   11   28 o  1538.02  149.710   39.390   7.1185   39.390   7.1185   0.0000   0.0000  1538.02  149.710  ?   ?  0.000000 149.7095 
1 1 1   -9   11   30 o  1646.80  152.762   45.700   7.7876   45.700   7.7876   0.0000   0.0000  1646.80  152.762  ?   ?  0.000000 152.7625 
1 1 1   -9   11   32 o  1678.03  154.426   47.810   8.0230   47.810   8.0230   0.0000   0.0000  1678.03  154.426  ?   ?  0.000000 154.4259 
1 1 1   -9   11   34 o  3087.06  203.098  169.707   19.523  169.707   19.523   0.0000   0.0000  3087.06  203.098  ?   ?  0.000000 203.0977 
1 1 1   -9   11   36 o  1224.48  154.426   25.577   5.7893   25.577   5.7893   0.0000   0.0000  1224.48  154.426  ?   ?  0.000000 154.4263 
1 1 1   -9   11   38 o  1796.20  158.897   55.252   8.8447   55.252   8.8447   0.0000   0.0000  1796.20  158.897  ?   ?  0.000000 158.8967 
1 1 1   -9   11   40 o  2406.04  179.101  102.572   13.397  102.572   13.397   0.0000   0.0000  2406.04  179.101  ?   ?  0.000000 179.1014 
1 1 1   -9   11   42 o  1104.83  160.226   21.627   5.3813   21.627   5.3813   0.0000   0.0000  1104.83  160.226  ?   ?  0.000000 160.2260 
1 1 1   -9   11   44 o  1179.88  155.311   24.762   5.5985   24.762   5.5985   0.0000   0.0000  1179.88  155.311  ?   ?  0.000000 155.3106 
1 1 1   -9   11   46 o  1273.77  157.905   29.562   6.1630   29.562   6.1630   0.0000   0.0000  1273.77  157.905  ?   ?  0.000000 157.9054 
1 1 1   -9   11   48 f  840.208  174.336   14.148   4.4363   14.148   4.4363   0.0000   0.0000  840.208  174.336  ?   ?  0.000000 174.3362 
1 1 1   -9   11   50 o  1395.22  178.579   42.803   7.6227   42.803   7.6227   0.0000   0.0000  1395.22  178.579  ?   ?  0.000000 178.5793 
1 1 1   -9   11   52 o  897.696  195.713   21.318   5.3461   21.318   5.3461   0.0000   0.0000  897.696  195.713  ?   ?  0.000000 195.7134 
1 1 1   -9   11   54 o  657.525  204.447   14.969   4.6554   14.969   4.6554   0.0000   0.0000  657.525  204.447  ?   ?  0.000000 204.4469 
1 1 1   -9   11   56 o  875.489  141.654   19.267   3.7506   16.637   5.1174   22.320   5.5131  567.129  212.842  692.856  223.386 -125.7272 308.5497 
1 1 1   -9   11   58 o  985.002  153.829   29.009   4.5894   27.212   6.2476   31.115   6.7640  570.161  229.025  580.209  236.406 -10.04749 329.1506 
1 1 1   -9   12    1 o  2055.38  108.613   66.872   6.9654   66.308   9.8654   67.432   9.8357  2034.93  156.016  2052.73  154.149 -17.79797 219.3233 
1 1 1   -9   12    3 f  3222.96  132.619  164.619   13.384  155.913   18.907  173.363   18.948  3109.12  195.198  3283.88  185.025 -174.7603 268.9550 
1 1 1   -9   12    5 o  3969.50  151.596  250.715   18.843  231.850   26.635  269.617   26.660  3774.16  226.425  4082.03  209.282 -307.8772 308.3302 
1 1 1   -9   12    7 o  1975.16  107.290   61.778   6.6107   63.789   9.3474   59.765   9.3505  1996.37  150.641  1930.48  156.021 65.88904 216.8760 
1 1 1   -9   12    9 o  2155.22  109.914   73.608   7.3929   69.869   10.436   77.375   10.474  2085.21  161.087  2197.59  153.171 -112.3816 222.2845 
1 1 1   -9   12   11 o  1448.75  143.218   33.763   6.4119   0.0000   0.0000   33.763   6.4119  ?   ?   1448.75  143.218 0.000000 143.2180 
1 1 1   -9   12   13 o  1783.82  149.305   51.252   8.2629   51.252   8.2629   0.0000   0.0000  1783.82  149.305  ?   ?  0.000000 149.3055 
1 1 1   -9   12   15 o  1153.77  141.315   21.604   4.9986   21.604   4.9986   0.0000   0.0000  1153.77  141.315  ?   ?  0.000000 141.3150 
1 1 1   -9   12   17 o  605.217  112.593   6.0062   2.0552   7.3869   2.9103   4.6328   2.9027  666.037  143.763  532.326  160.680 133.7114 215.6059 
1 1 1   -9   12   19 o  1412.02  100.203   31.808   4.4016   32.103   6.2325   31.513   6.2170  1405.04  143.685  1391.55  144.803 13.49731 203.9931 
1 1 1   -9   12   23 o  1420.51  100.998   32.294   4.4631   30.442   6.3415   34.111   6.2825  1360.72  151.402  1445.81  140.549 -85.08423 206.5834 
1 1 1   -9   12   25 o  1529.13  103.044   37.526   4.9051   37.463   6.9413   37.588   6.9323  1508.17  148.932  1510.94  148.442 -2.772827 210.2750 
1 1 1   -9   12   27 o  444.308  127.109   3.2895   1.8577   2.2951   2.6588   4.2380   2.5967  413.812  153.787  503.298  151.988 -89.48532 216.2189 
1 1 1   -9   12   29 o  1821.78  106.868   53.734   6.0695   50.123   8.5768   57.357   8.5904  1724.04  160.730  1854.00  149.239 -129.9630 219.3315 
1 1 1   -9   12   31 o  2759.74  186.933  131.718   16.058  131.718   16.058   0.0000   0.0000  2759.74  186.933  ?   ?  0.000000 186.9333 
1 1 1   -9   12   33 o  684.911  117.152   7.8202   2.4222   7.7879   3.4118   7.8530   3.4393  667.563  164.326  670.159  164.999 -2.596191 232.8678 
1 1 1   -9   12   35 o  1556.38  104.396   39.269   5.0582   42.835   7.2063   35.806   7.1016  1600.82  145.348  1453.98  158.554 146.8458 215.0943 
1 1 1   -9   12   37 o  1369.15  153.462   31.788   6.4660   31.788   6.4660   0.0000   0.0000  1369.15  153.462  ?   ?  0.000000 153.4621 
1 1 1   -9   12   39 o  1655.11  157.775   46.981   8.0778   46.981   8.0778   0.0000   0.0000  1655.11  157.775  ?   ?  0.000000 157.7754 
1 1 1   -9   12   41 o  530.588  169.468   4.9549   3.1786   4.9549   3.1786   0.0000   0.0000  530.588  169.468  ?   ?  0.000000 169.4680 
1 1 1   -9   12   43 o  439.543  164.283   2.9221   3.0426   2.9221   3.0426   0.0000   0.0000  439.543  164.283  ?   ?  0.000000 164.2825 
1 1 1   -9   12   45 o  3209.01  231.956  208.784   23.150  208.784   23.150   0.0000   0.0000  3209.01  231.956  ?   ?  0.000000 231.9561 
1 1 1   -9   12   47 f  1186.35  161.547   26.481   5.8451   26.481   5.8451   0.0000   0.0000  1186.35  161.547  ?   ?  0.000000 161.5474 
1 1 1   -9   12   49 o  2649.40  268.215  195.391   21.944  195.391   21.944   0.0000   0.0000  2649.40  268.215  ?   ?  0.000000 268.2148 
1 1 1   -9   12   51 o  843.347  126.867   13.992   3.2465   12.689   4.4343   15.497   4.7660  697.443  195.293  779.172  195.631 -81.72845 276.4250 
1 1 1   -9   12   53 o  741.224  200.362   16.317   4.7613   16.317   4.7613   0.0000   0.0000  741.224  200.362  ?   ?  0.000000 200.3619 
1 1 1   -9   12   55 o  943.758  134.554   20.573   3.8637   17.808   5.2379   23.872   5.7223  648.996  218.145  787.269  222.347 -138.2735 311.4893 
1 1 1   -9   12   57 o  330.404  139.370   3.4450   2.4679   5.3323   3.1212   0.2974   4.0309  367.447  155.960  272.833  134.255 94.61365 205.7861 
1 1 1   -9   12   59 o  527.259  246.441   62.641   10.093   0.0000   0.0000   62.641   10.093  ?   ?   527.259  246.441 0.000000 246.4413 
1 1 1   -9   13    2 o  2125.29  110.397   71.614   7.3215   68.113   10.363   75.103   10.345  2057.65  162.151  2164.11  153.669 -106.4631 223.3989 
1 1 1   -9   13    4 o  1103.30   96.990   19.351   3.3167   23.884   4.7845   15.157   4.6018  1220.67  127.038  962.177  158.245 258.4969 202.9285 
1 1 1   -9   13    6 o  3570.65  142.258  203.043   15.905  210.143   22.497  195.947   22.489  3597.69  200.504  3469.00  208.001 128.6841 288.9055 
1 1 1   -9   13    8 o  1133.00  100.140   20.431   3.5161   20.614   4.9727   20.248   4.9724  1128.48  144.012  1117.89  145.500 10.59033 204.7190 
1 1 1   -9   13   10 o  2034.27  108.541   65.700   6.8888   62.634   9.7307   68.781   9.7539  1970.46  159.066  2068.15  151.677 -97.68408 219.7907 
1 1 1   -9   13   12 o  231.823  104.866  -0.8917   1.6303  -0.8917   1.6303   0.0000   0.0000  231.823  104.866  ?   ?  0.000000 104.8657 
1 1 1   -9   13   14 o  1637.14  147.422   43.315   7.4762   43.315   7.4762   0.0000   0.0000  1637.14  147.422  ?   ?  0.000000 147.4220 
1 1 1   -9   13   16 o  878.238  100.913   12.380   2.7247   11.746   3.8364   13.026   3.8704  842.746  150.924  890.539  143.690 -47.79303 208.3860 
1 1 1   -9   13   18 o  823.067  104.553   10.922   2.6338   12.495   3.7104   9.3255   3.7392  871.933  140.689  744.983  164.673 126.9501 216.5880 
1 1 1   -9   13   20 o  1158.23  144.874   21.936   5.1392   21.936   5.1392   0.0000   0.0000  1158.23  144.874  ?   ?  0.000000 144.8743 
1 1 1   -9   13   22 o  1348.50  101.546   29.096   4.2563   28.261   6.0466   29.916   5.9923  1312.56  149.805  1353.28  143.608 -40.71912 207.5200 
1 1 1   -9   13   24 o  1169.00  102.934   21.972   3.7294   22.600   5.1990   21.307   5.3526  1171.12  144.865  1132.66  154.988 38.46802 212.1486 
1 1 1   -9   13   26 o  1518.99  150.442   38.217   7.0614   38.217   7.0614   0.0000   0.0000  1518.99  150.442  ?   ?  0.000000 150.4418 
1 1 1   -9   13   28 o  972.544  105.629   15.375   3.1650   10.817   4.4394   20.085   4.5134  785.377  183.779  1101.92  133.537 -316.5397 227.1715 
1 1 1   -9   13   30 o  1689.57  105.920   46.130   5.5753   44.751   7.8676   47.520   7.9019  1635.16  155.534  1688.38  151.062 -53.21423 216.8197 
1 1 1   -9   13   32 o  1561.79  104.849   39.391   5.0977   37.668   7.1928   41.130   7.2259  1500.24  155.367  1572.51  148.509 -72.26526 214.9272 
1 1 1   -9   13   34 o  2773.67  126.198  125.305   10.960  118.935   15.505  131.668   15.495  2634.33  189.235  2785.27  178.607 -150.9436 260.2122 
1 1 1   -9   13   36 o  2042.34  112.245   67.753   7.1506   64.368   10.125   71.122   10.100  1948.06  167.611  2056.91  158.031 -108.8459 230.3633 
1 1 1   -9   13   38 o  1210.63  106.010   23.920   3.9781   23.507   5.6427   24.328   5.6094  1172.22  157.733  1195.43  153.394 -23.21069 220.0210 
1 1 1   -9   13   40 o  1666.66  108.367   45.485   5.6247   45.035   7.9649   45.933   7.9441  1618.35  159.238  1636.56  156.948 -18.20508 223.5833 
1 1 1   -9   13   42 o  995.345  113.010   16.481   3.4597   12.254   4.8537   20.847   4.9328  811.961  193.629  1100.04  146.878 -288.0788 243.0334 
1 1 1   -9   13   44 o  1463.04  160.388   37.924   7.2272   37.924   7.2272   0.0000   0.0000  1463.04  160.388  ?   ?  0.000000 160.3884 
1 1 1   -9   13   46 o  2397.43  124.848   99.258   9.3398  101.830   13.211   96.689   13.206  2305.74  184.527  2233.06  190.695 72.67358 265.3581 
1 1 1   -9   13   48 o  1856.50  118.388   61.308   6.8462   62.094   9.6152   60.500   9.7501  1742.43  178.765  1704.79  185.653 37.64172 257.7282 
1 1 1   -9   13   50 o  1079.90  120.705   21.926   4.0117   23.035   5.4521   20.617   5.9241  1017.44  177.596  897.289  213.877 120.1547 277.9993 
1 1 1   -9   13   52 o  1557.34  121.613   47.976   5.8833   45.813   8.1097   50.379   8.5481  1303.28  205.536  1363.01  206.777 -59.73547 291.5506 
1 1 1   -9   13   54 o  254.474  116.612   0.0829   2.1002   0.7250   2.5597  -1.2400   3.6738  285.596  130.056  280.254  135.735 5.342560 187.9857 
1 1 1   -9   13   56 o  1720.82  143.680   74.169   7.6711   67.622   10.626   81.297   11.086  982.620  309.424  1211.35  295.015 -228.7280 427.5244 
1 1 1   -9   13   58 o  654.253  276.608   58.094   9.7570   0.0000   0.0000   58.094   9.7570  ?   ?   654.253  276.608 0.000000 276.6081 
1 1 1   -9   14    1 o  3137.82  190.165  159.753   18.596   0.0000   0.0000  159.753   18.596  ?   ?   3137.82  190.165 0.000000 190.1647 
1 1 1   -9   14    3 f  2018.68  103.203   64.581   6.5017   82.431   9.3381   47.787   9.0577  2273.06  131.765  1716.66  170.774 556.3949 215.6979 
1 1 1   -9   14    7 o  1816.44  104.081   52.353   5.8952   58.228   8.4360   46.745   8.2414  1905.28  142.434  1701.63  156.426 203.6427 211.5575 
1 1 1   -9   14    9 o  458.129  122.763   3.4494   1.7967   3.8953   2.4963   2.9700   2.5880  491.600  149.148  448.040  153.325 43.55994 213.9011 
1 1 1   -9   14   11 o  1323.51  145.129   28.332   5.9158   28.332   5.9158   0.0000   0.0000  1323.51  145.129  ?   ?  0.000000 145.1288 
1 1 1   -9   14   13 o  1765.56  150.287   50.330   8.2294   50.330   8.2294   0.0000   0.0000  1765.56  150.287  ?   ?  0.000000 150.2866 
1 1 1   -9   14   15 o  1109.57  145.676   20.055   4.9390   0.0000   0.0000   20.055   4.9390  ?   ?   1109.57  145.676 0.000000 145.6765 
1 1 1   -9   14   17 o  800.756  106.206   10.349   2.5973   9.3099   3.6042   11.471   3.7461  746.244  159.104  832.966  149.103 -86.72174 218.0495 
1 1 1   -9   14   21 o  1876.81  107.433   56.294   6.2874   55.421   8.8994   57.164   8.8840  1841.75  155.779  1872.09  152.887 -30.34009 218.2692 
1 1 1   -9   14   23 o  1525.93  149.717   38.218   7.0614   38.218   7.0614   0.0000   0.0000  1525.93  149.717  ?   ?  0.000000 149.7170 
1 1 1   -9   14   25 o  1507.27  150.428   37.506   7.0048   37.506   7.0048   0.0000   0.0000  1507.27  150.428  ?   ?  0.000000 150.4277 
1 1 1   -9   14   27 o  1197.70  150.460   23.868   5.5182   23.868   5.5182   0.0000   0.0000  1197.70  150.460  ?   ?  0.000000 150.4605 
1 1 1   -9   14   29 o  2220.53  166.071   82.208   11.463   82.208   11.463   0.0000   0.0000  2220.53  166.071  ?   ?  0.000000 166.0709 
1 1 1   -9   14   31 o  575.445  168.638   5.6258   3.2347   5.6258   3.2347   0.0000   0.0000  575.445  168.638  ?   ?  0.000000 168.6381 
1 1 1   -9   14   33 o  1383.67  105.300   30.877   4.5280   28.872   6.3287   32.979   6.4811  1314.77  156.820  1410.28  149.023 -95.51172 216.3343 
1 1 1   -9   14   35 f  1875.12  110.359   56.869   6.4512   57.024   9.1005   56.712   9.1463  1846.60  158.939  1840.50  160.306 6.096191 225.7423 
1 1 1   -9   14   37 o  2188.27  168.470   81.273   11.455   81.273   11.455   0.0000   0.0000  2188.27  168.470  ?   ?  0.000000 168.4699 
1 1 1   -9   14   39 o  1799.38  109.866   52.794   6.1605   50.677   8.7027   54.921   8.7220  1722.29  163.326  1799.56  156.340 -77.27869 226.0916 
1 1 1   -9   14   41 o  667.536  139.772   7.6911   2.8279   3.1600   3.9539   12.436   4.0461  479.662  185.366  843.678  158.990 -364.0159 244.2094 
1 1 1   -9   14   43 o  2365.60  121.137   93.260   8.9428   93.226   12.649   93.293   12.646  2287.09  178.022  2288.10  177.900 -1.014893 251.6753 
1 1 1   -9   14   45 o  1263.33  111.155   26.913   4.3523   22.505   6.0645   31.595   6.2499  1090.76  184.117  1329.09  152.965 -238.3336 239.3687 
1 1 1   -9   14   47 o  1843.45  117.290   59.459   6.7351   57.794   9.4493   61.179   9.6024  1702.86  179.942  1758.51  176.783 -55.64734 252.2527 
1 1 1   -9   14   49 o  954.282  126.976   17.048   3.7000   15.556   5.0236   18.817   5.4700  817.195  198.330  902.958  198.843 -85.76355 280.8443 
1 1 1   -9   14   51 o  466.419  179.920   5.5492   3.7197   5.5492   3.7197   0.0000   0.0000  466.419  179.920  ?   ?  0.000000 179.9196 
1 1 1   -9   14   53 f  613.563  196.301   11.445   4.2634   11.445   4.2634   0.0000   0.0000  613.563  196.301  ?   ?  0.000000 196.3006 
1 1 1   -9   14   55 o  602.098  160.960   9.6931   3.0931   6.2516   3.9167   15.396   5.0418  414.530  175.255  614.098  213.804 -199.5681 276.4536 
1 1 1   -9   14   57 o  545.794  231.592   24.479   6.8794   0.0000   0.0000   24.479   6.8794  ?   ?   545.794  231.592 0.000000 231.5917 
1 1 1   -9   15    2 o  3233.62  193.768  169.801   19.529   0.0000   0.0000  169.801   19.529  ?   ?   3233.62  193.768 0.000000 193.7680 
1 1 1   -9   15    4 o  1989.42  155.283   63.679   9.5965   0.0000   0.0000   63.679   9.5965  ?   ?   1989.42  155.283 0.000000 155.2828 
1 1 1   -9   15    6 o  1065.53  144.919   18.431   4.7097   0.0000   0.0000   18.431   4.7097  ?   ?   1065.53  144.919 0.000000 144.9189 
1 1 1   -9   15    8 o  973.010  101.823   15.126   3.0563   19.105   4.5575   11.874   4.1201  1086.95  136.947  847.369  161.170 239.5762 211.4950 
1 1 1   -9   15   10 o  685.643  115.620   7.6530   2.3940   10.551   3.7783   5.7093   3.0944  798.334  156.740  587.299  162.678 211.0355 225.9009 
1 1 1   -9   15   12 o  243.556  106.307  -0.3014   1.5304   2.8080   2.7850  -1.6466   1.8318  446.934  158.635  227.833  105.984 219.1004 190.7819 
1 1 1   -9   15   14 o  2464.38  168.980   98.466   12.961   98.466   12.961   0.0000   0.0000  2464.38  168.980  ?   ?  0.000000 168.9797 
1 1 1   -9   15   16 o  1332.83  145.561   28.820   5.9761   28.820   5.9761   0.0000   0.0000  1332.83  145.561  ?   ?  0.000000 145.5606 
1 1 1   -9   15   18 o  1768.61  151.923   50.785   8.3317   0.0000   0.0000   50.785   8.3317  ?   ?   1768.61  151.923 0.000000 151.9229 
1 1 1   -9   15   20 o  520.028  128.803   4.5053   2.0864   3.5688   2.9047   5.5035   2.9988  481.559  162.447  573.493  160.607 -91.93448 228.4373 
1 1 1   -9   15   22 o  851.982  152.723   12.124   3.9246   12.124   3.9246   0.0000   0.0000  851.982  152.723  ?   ?  0.000000 152.7225 
1 1 1   -9   15   24 o  952.448  110.229   14.696   3.2267   13.812   4.4370   15.688   4.7008  905.848  162.396  967.406  160.829 -61.55811 228.5572 
1 1 1   -9   15   26 o  1113.76  107.500   20.012   3.7024   18.887   5.0907   21.275   5.3945  1064.06  157.553  1130.86  156.544 -66.79895 222.1013 
1 1 1   -9   15   28 o  2812.26  184.341  132.027   16.143  132.027   16.143   0.0000   0.0000  2812.26  184.341  ?   ?  0.000000 184.3411 
1 1 1   -9   15   30 o  2633.58  178.305  115.386   14.617  115.386   14.617   0.0000   0.0000  2633.58  178.305  ?   ?  0.000000 178.3055 
1 1 1   -9   15   32 o  524.572  142.702   4.6281   2.4062   5.1303   3.2007   3.9754   3.6489  553.994  169.066  513.377  181.649 40.61743 248.1520 
1 1 1   -9   15   34 o  493.904  145.426   4.0761   2.4005   4.4885   3.1927   3.5399   3.6409  523.532  170.109  495.012  180.643 28.51974 248.1309 
1 1 1   -9   15   36 o  1541.37  155.457   39.736   7.4005   39.736   7.4005   0.0000   0.0000  1541.37  155.457  ?   ?  0.000000 155.4574 
1 1 1   -9   15   38 o  512.540  174.323   4.2728   3.3452   4.2728   3.3452   0.0000   0.0000  512.540  174.323  ?   ?  0.000000 174.3229 
1 1 1   -9   15   40 o  2958.52  132.959  144.538   12.317  145.869   17.383  143.197   17.455  2885.32  193.527  2854.01  196.519 31.31274 275.8124 
1 1 1   -9   15   42 o  1416.52  110.425   33.022   4.8592   29.613   6.7478   36.695   7.0031  1299.26  169.937  1459.99  155.583 -160.7389 230.4015 
1 1 1   -9   15   44 o  1800.00  169.617   58.466   9.4472   58.466   9.4472   0.0000   0.0000  1800.00  169.617  ?   ?  0.000000 169.6165 
1 1 1   -9   15   46 o  1178.70  118.114   24.144   4.3007   22.068   5.8746   26.542   6.3133  1057.30  184.135  1168.19  178.239 -110.8942 256.2713 
1 1 1   -9   15   48 o  866.204  135.466   14.071   3.5539   7.8114   4.7198   22.266   5.4006  570.799  206.073  1045.28  170.913 -474.4805 267.7262 
1 1 1   -9   15   50 o  965.866  201.117   22.444   5.8848   22.444   5.8848   0.0000   0.0000  965.866  201.117  ?   ?  0.000000 201.1166 
1 1 1   -9   15   52 o  827.294  150.164   14.834   3.7467   16.309   4.9144   12.786   5.7899  776.635  200.654  591.706  225.400 184.9285 301.7734 
1 1 1   -9   15   54 o  909.278  150.132   19.102   4.1253   18.625   5.4033   19.769   6.3876  738.449  218.397  667.727  239.899 70.72186 324.4207 
1 1 1   -9   15   56 o  329.624  159.511   2.8223   5.0479   0.0000   0.0000   2.8223   5.0479  ?   ?   329.624  159.511 0.000000 159.5112 
1 1 1   -9   16    1 o  226.918  103.986  -1.1756   1.6701   0.0000   0.0000  -1.1756   1.6701  ?   ?   226.918  103.986 0.000000 103.9856 
1 1 1   -9   16    3 o  601.361  132.878   5.9696   2.4354   0.4653   3.7979   9.8138   3.1739  412.000  173.293  774.614  135.808 -362.6134 220.1691 
1 1 1   -9   16    5 o  2023.09  106.717   64.907   6.7364   77.340   9.6517   53.099   9.4064  2198.82  140.925  1811.78  167.708 387.0422 219.0568 
1 1 1   -9   16    7 o  1115.61  147.548   20.197   5.0277   0.0000   0.0000   20.197   5.0277  ?   ?   1115.61  147.548 0.000000 147.5479 
1 1 1   -9   16    9 o  800.288  156.128   10.591   3.7719   0.0000   0.0000   10.591   3.7719  ?   ?   800.288  156.128 0.000000 156.1280 
1 1 1   -9   16   11 o  1032.47  148.970   17.384   4.6768   0.0000   0.0000   17.384   4.6768  ?   ?   1032.47  148.970 0.000000 148.9703 
1 1 1   -9   16   13 o  430.798  147.049   2.7535   2.3804   0.0000   0.0000   2.7535   2.3804  ?   ?   430.798  147.049 0.000000 147.0486 
1 1 1   -9   16   21 o  434.056  155.766   2.6465   2.6922   2.6465   2.6922   0.0000   0.0000  434.056  155.766  ?   ?  0.000000 155.7655 
1 1 1   -9   16   23 o  817.017  115.973   10.870   2.8836   9.2025   3.8478   13.005   4.3553  736.276  170.292  880.350  164.032 -144.0748 236.4444 
1 1 1   -9   16   25 o  1472.56  105.761   34.714   4.8441   32.174   6.7414   37.425   6.9654  1399.17  156.555  1513.45  148.909 -114.2784 216.0636 
1 1 1   -9   16   27 o  2514.97  173.351  104.043   13.568  104.043   13.568   0.0000   0.0000  2514.97  173.351  ?   ?  0.000000 173.3506 
1 1 1   -9   16   29 o  1832.18  109.621   53.743   6.2601   53.361   8.7786   54.138   8.9296  1805.05  156.877  1817.41  158.500 -12.35583 223.0080 
1 1 1   -9   16   31 o  322.310  132.752   0.5862   2.1619   0.0848   2.7395   1.4141   3.5200  340.206  145.298  421.277  170.961 -81.07114 224.3636 
1 1 1   -9   16   33 o  3133.68  134.404  159.123   13.188  152.700   18.605  165.609   18.697  3004.98  198.855  3138.58  191.159 -133.5947 275.8347 
1 1 1   -9   16   35 o  2206.69  115.965   78.659   7.9847   74.602   11.182   82.881   11.406  2111.63  170.567  2231.28  164.409 -119.6479 236.9038 
1 1 1   -9   16   37 o  972.807  166.825   16.162   4.8987   16.162   4.8987   0.0000   0.0000  972.807  166.825  ?   ?  0.000000 166.8247 
1 1 1   -9   16   39 f  2122.56  167.730   76.289   11.057   76.289   11.057   0.0000   0.0000  2122.56  167.730  ?   ?  0.000000 167.7297 
1 1 1   -9   16   41 o  554.774  163.004   5.3804   3.0187   1.2432   3.9406   11.257   4.6963  423.431  177.219  786.625  192.282 -363.1941 261.4936 
1 1 1   -9   16   43 o  2035.96  116.007   69.093   7.3649   59.830   10.223   79.090   10.620  1816.02  182.231  2120.48  161.150 -304.4556 243.2645 
1 1 1   -9   16   45 o  421.327  168.059   2.5188   3.3391   2.5188   3.3391   0.0000   0.0000  421.327  168.059  ?   ?  0.000000 168.0586 
1 1 1   -9   16   47 o  1446.60  119.701   37.063   5.3733   33.281   7.2335   41.721   8.0263  1272.49  187.131  1431.93  183.210 -159.4427 261.8850 
1 1 1   -9   16   49 o  507.363  187.452   5.9447   3.9388   5.9447   3.9388   0.0000   0.0000  507.363  187.452  ?   ?  0.000000 187.4520 
1 1 1   -9   16   51 o  424.976  163.512   4.0153   3.0661   4.4808   3.7601   3.0915   5.2968  437.209  176.950  411.539  187.285 25.66977 257.6566 
1 1 1   -9   16   53 o  524.567  199.397   8.9608   4.5249   8.9608   4.5249   0.0000   0.0000  524.567  199.397  ?   ?  0.000000 199.3969 
1 1 1   -9   17    2 o  1148.49  118.096   21.121   4.1865   28.667   5.8474   13.185   5.9966  1333.98  142.180  882.188  218.275 451.7947 260.4982 
1 1 1   -9   17    4 o  560.242  188.060   4.8047   3.8927   0.0000   0.0000   4.8047   3.8927  ?   ?   560.242  188.060 0.000000 188.0602 
1 1 1   -9   17    6 o  1440.22  104.849   32.971   4.6959   35.343   6.9128   30.939   6.3990  1479.76  151.320  1383.89  150.076 95.87012 213.1210 
1 1 1   -9   17    8 o  1324.46  103.027   27.904   4.2391   33.288   6.2911   23.426   5.7372  1437.96  141.556  1199.95  156.412 238.0088 210.9570 
1 1 1   -9   17   10 o  1145.05  148.945   21.309   5.2139   0.0000   0.0000   21.309   5.2139  ?   ?   1145.05  148.945 0.000000 148.9450 
1 1 1   -9   17   12 o  709.419  127.579   8.2488   2.7298   6.3165   4.2604   9.5946   3.5556  623.657  195.854  760.199  154.634 -136.5426 249.5406 
1 1 1   -9   17   14 o  922.457  156.645   14.043   4.3628   0.0000   0.0000   14.043   4.3628  ?   ?   922.457  156.645 0.000000 156.6445 
1 1 1   -9   17   18 o  194.837   92.879  -2.0455   1.5700   0.0000   0.0000  -2.0455   1.5700  ?   ?   194.837   92.879 0.000000 92.87875 
1 1 1   -9   17   20 o  390.262  151.747   1.5975   2.6624   0.0000   0.0000   1.5975   2.6624  ?   ?   390.262  151.747 0.000000 151.7466 
1 1 1   -9   17   22 o  902.140  126.524   13.246   3.4758   13.305   5.0204   13.191   4.8170  886.652  186.728  884.740  180.002 1.911804 259.3608 
1 1 1   -9   17   24 o  2522.52  175.716  104.028   13.792  104.028   13.792   0.0000   0.0000  2522.52  175.716  ?   ?  0.000000 175.7156 
1 1 1   -9   17   26 o  1206.26  163.199   23.956   6.0059   23.956   6.0059   0.0000   0.0000  1206.26  163.199  ?   ?  0.000000 163.1987 
1 1 1   -9   17   28 o  1101.17  113.672   19.519   3.8630   17.692   5.2695   21.641   5.6799  1030.86  169.116  1144.55  163.100 -113.6941 234.9502 
1 1 1   -9   17   30 o  1922.23  112.119   59.150   6.7191   58.334   9.3649   60.015   9.6459  1887.72  159.938  1913.55  162.523 -25.82751 228.0214 
1 1 1   -9   17   32 o  1596.65  158.672   41.982   7.8277   41.982   7.8277   0.0000   0.0000  1596.65  158.672  ?   ?  0.000000 158.6718 
1 1 1   -9   17   34 o  2952.40  191.165  146.416   17.578  146.416   17.578   0.0000   0.0000  2952.40  191.165  ?   ?  0.000000 191.1652 
1 1 1   -9   17   36 o  462.053  159.704   3.2664   2.8107   5.9407   3.7121  -0.3265   4.3027  592.444  182.292  408.595  178.299 183.8495 254.9925 
1 1 1   -9   17   38 o  2083.16  167.082   72.862   10.807   72.862   10.807   0.0000   0.0000  2083.16  167.082  ?   ?  0.000000 167.0822 
1 1 1   -9   17   40 o  3226.32  210.635  185.210   21.162  185.210   21.162   0.0000   0.0000  3226.32  210.635  ?   ?  0.000000 210.6352 
1 1 1   -9   17   42 o  1469.07  116.555   35.891   5.3175   30.772   7.2140   41.981   7.8688  1307.96  180.993  1545.94  165.109 -237.9817 244.9886 
1 1 1   -9   17   44 o  714.857  195.609   10.140   4.5056   10.140   4.5056   0.0000   0.0000  714.857  195.609  ?   ?  0.000000 195.6092 
1 1 1   -9   17   46 o  808.395  196.271   13.630   4.9184   13.630   4.9184   0.0000   0.0000  808.395  196.271  ?   ?  0.000000 196.2714 
1 1 1   -9   17   48 o  769.839  201.742   13.441   4.9219   13.441   4.9219   0.0000   0.0000  769.839  201.742  ?   ?  0.000000 201.7419 
1 1 1   -9   17   50 o  300.419  138.060  -0.5110   2.9727  -0.6794   3.5181  -0.0905   5.5587  318.024  147.581  381.752  179.829 -63.72748 232.6344 
1 1 1   -9   17   52 o  326.510  145.372   1.0290   2.9982   3.1143   3.5315  -4.3532   5.6736  390.416  165.811  320.828  158.144 69.58765 229.1351 
1 1 1   -9   17   54 o  522.926  199.643   9.4908   4.5486   9.4908   4.5486   0.0000   0.0000  522.926  199.643  ?   ?  0.000000 199.6426 
1 1 1   -9   18    3 o  2401.95  171.997   93.236   12.850   93.236   12.850   0.0000   0.0000  2401.95  171.997  ?   ?  0.000000 171.9971 
1 1 1   -9   18    5 o  1672.83  160.947   45.256   8.3264   45.256   8.3264   0.0000   0.0000  1672.83  160.947  ?   ?  0.000000 160.9468 
1 1 1   -9   18    7 o  1155.04  168.480   21.864   5.9141   0.0000   0.0000   21.864   5.9141  ?   ?   1155.04  168.480 0.000000 168.4798 
1 1 1   -9   18    9 o  1162.38  169.070   22.160   5.9733   22.160   5.9733   0.0000   0.0000  1162.38  169.070  ?   ?  0.000000 169.0705 
1 1 1   -9   18   11 o  575.643  155.530   5.4943   2.8698   5.3978   3.8223   5.6189   4.3447  581.400  185.853  599.003  198.624 -17.60303 272.0162 
1 1 1   -9   18   13 o  692.501  129.261   7.8750   2.6998   5.9698   4.1554   9.2667   3.5515  608.932  193.691  746.474  156.923 -137.5417 249.2809 
1 1 1   -9   18   15 o  1012.18  153.609   16.788   4.7156   0.0000   0.0000   16.788   4.7156  ?   ?   1012.18  153.609 0.000000 153.6089 
1 1 1   -9   18   17 o  1284.56  106.377   26.324   4.2403   31.227   6.2319   22.097   5.7862  1389.38  145.400  1160.86  163.729 228.5160 218.9712 
1 1 1   -9   18   21 o  809.711  192.927   11.075   4.8219   0.0000   0.0000   11.075   4.8219  ?   ?   809.711  192.927 0.000000 192.9266 
1 1 1   -9   18   23 o  1993.21  165.305   64.441   10.224   0.0000   0.0000   64.441   10.224  ?   ?   1993.21  165.305 0.000000 165.3046 
1 1 1   -9   18   25 o  1199.12  175.414   23.730   6.3916   0.0000   0.0000   23.730   6.3916  ?   ?   1199.12  175.414 0.000000 175.4139 
1 1 1   -9   18   29 f  1327.13  123.313   28.370   5.0657   26.033   7.5486   30.284   6.8328  1242.71  200.841  1357.45  164.084 -114.7395 259.3463 
1 1 1   -9   18   31 o  2427.34  182.494   97.315   13.769   97.315   13.769   0.0000   0.0000  2427.34  182.494  ?   ?  0.000000 182.4938 
1 1 1   -9   18   33 o  1062.19  140.277   18.519   4.5515   14.853   6.6958   21.667   6.2056  916.869  232.802  1134.44  180.763 -217.5675 294.7404 
1 1 1   -9   18   35 o  2999.85  132.022  145.365   12.401  138.456   17.402  152.494   17.677  2871.05  194.723  3020.65  187.824 -149.6030 270.5455 
1 1 1   -9   18   37 o  816.721  187.071   11.614   4.6813   11.614   4.6813   0.0000   0.0000  816.721  187.071  ?   ?  0.000000 187.0713 
1 1 1   -9   18   39 o  4084.31  252.405  307.525   32.122  307.525   32.122   0.0000   0.0000  4084.31  252.405  ?   ?  0.000000 252.4046 
1 1 1   -9   18   41 o  1764.66  170.514   54.497   9.3045   54.497   9.3045   0.0000   0.0000  1764.66  170.514  ?   ?  0.000000 170.5142 
1 1 1   -9   18   43 o  819.443  147.799   11.948   3.6528   5.3978   4.6328   22.713   5.9389  548.452  203.164  1110.18  176.769 -561.7312 269.3009 
1 1 1   -9   18   45 o  866.928  199.916   15.295   5.3160   15.295   5.3160   0.0000   0.0000  866.928  199.916  ?   ?  0.000000 199.9162 
1 1 1   -9   18   47 o  442.806  183.657   3.0785   4.1779   3.0785   4.1779   0.0000   0.0000  442.806  183.657  ?   ?  0.000000 183.6571 
1 1 1   -9   18   49 o  1423.93  190.938   44.096   8.2989   44.096   8.2989   0.0000   0.0000  1423.93  190.938  ?   ?  0.000000 190.9375 
1 1 1   -9   18   51 o  952.258  214.611   23.105   6.2459   23.105   6.2459   0.0000   0.0000  952.258  214.611  ?   ?  0.000000 214.6107 
1 1 1   -9   18   53 o  680.861  218.047   14.580   5.2594   14.580   5.2594   0.0000   0.0000  680.861  218.047  ?   ?  0.000000 218.0472 
1 1 1   -9   19    2 o  717.428  156.194   8.5309   3.4093   9.2218   4.8430   7.8522   4.8002  742.438  202.653  690.594  206.220 51.84308 289.1275 
1 1 1   -9   19    4 o  781.077  201.983   10.248   4.9767   10.248   4.9767   0.0000   0.0000  781.077  201.983  ?   ?  0.000000 201.9826 
1 1 1   -9   19    8 o  1171.03  173.186   22.462   6.1588   22.462   6.1588   0.0000   0.0000  1171.03  173.186  ?   ?  0.000000 173.1855 
1 1 1   -9   19   10 o  2263.04  169.258   82.612   11.907   82.612   11.907   0.0000   0.0000  2263.04  169.258  ?   ?  0.000000 169.2580 
1 1 1   -9   19   12 o  943.402  129.293   14.389   3.7189   13.798   5.0899   15.066   5.4468  909.850  184.960  950.533  189.649 -40.68280 264.9088 
1 1 1   -9   19   14 o  2047.82  167.647   67.685   10.656   0.0000   0.0000   67.685   10.656  ?   ?   2047.82  167.647 0.000000 167.6471 
1 1 1   -9   19   16 o  911.054  135.454   13.474   3.7466   16.893   5.2051   9.7998   5.3969  1013.36  170.065  764.894  215.901 248.4644 274.8367 
1 1 1   -9   19   18 o  897.430  120.400   12.987   3.2980   16.400   5.2501   10.762   4.2387  996.905  174.547  803.952  173.471 192.9527 246.0874 
1 1 1   -9   19   20 o  922.102  193.066   14.229   5.3957   0.0000   0.0000   14.229   5.3957  ?   ?   922.102  193.066 0.000000 193.0663 
1 1 1   -9   19   22 o  621.904  207.023   6.0343   4.7182   0.0000   0.0000   6.0343   4.7182  ?   ?   621.904  207.023 0.000000 207.0230 
1 1 1   -9   19   24 o  857.980  206.195   12.467   5.4708   12.467   5.4708   0.0000   0.0000  857.980  206.195  ?   ?  0.000000 206.1947 
1 1 1   -9   19   26 o  1046.32  190.386   18.307   6.0078   0.0000   0.0000   18.307   6.0078  ?   ?   1046.32  190.386 0.000000 190.3859 
1 1 1   -9   19   28 o  2460.34  177.152   98.778   13.556   0.0000   0.0000   98.778   13.556  ?   ?   2460.34  177.152 0.000000 177.1525 
1 1 1   -9   19   30 o  1721.30  173.350   48.634   9.2161   0.0000   0.0000   48.634   9.2161  ?   ?   1721.30  173.350 0.000000 173.3496 
1 1 1   -9   19   36 o  1526.30  174.988   39.047   8.2120   39.047   8.2120   0.0000   0.0000  1526.30  174.988  ?   ?  0.000000 174.9877 
1 1 1   -9   19   38 o  795.629  216.447   11.489   5.5356   11.489   5.5356   0.0000   0.0000  795.629  216.447  ?   ?  0.000000 216.4471 
1 1 1   -9   19   40 f  2358.45  128.158   92.334   9.4288   90.601   13.203   94.138   13.469  2264.13  187.935  2307.97  188.015 -43.84204 265.8368 
1 1 1   -9   19   42 f  779.064  165.984   11.014   3.9252   13.581   5.0599   7.1353   6.2200  846.647  194.899  619.289  234.169 227.3584 304.6652 
1 1 1   -9   19   44 o  805.827  212.370   13.328   5.4341   13.328   5.4341   0.0000   0.0000  805.827  212.370  ?   ?  0.000000 212.3702 
1 1 1   -9   19   46 o  884.183  216.918   16.942   5.9603   16.942   5.9603   0.0000   0.0000  884.183  216.918  ?   ?  0.000000 216.9177 
1 1 1   -9   19   48 o  688.188  188.260   10.207   4.1741   10.854   5.0864   8.8740   7.3047  677.279  214.170  582.043  242.244 95.23615 323.3436 
1 1 1   -9   19   50 o  601.868  217.049   9.7075   5.2338   9.7075   5.2338   0.0000   0.0000  601.868  217.049  ?   ?  0.000000 217.0488 
1 1 1   -9   19   52 o  446.866  188.962   4.9414   4.5547   4.9414   4.5547   0.0000   0.0000  446.866  188.962  ?   ?  0.000000 188.9622 
1 1 1   -9   20    1 o  2015.39  117.900   64.404   7.4078   66.234   10.521   62.605   10.432  2031.29  166.891  1973.43  170.495 57.85535 238.5816 
1 1 1   -9   20    3 o  1556.09  119.162   38.496   5.7621   42.673   8.1034   34.223   8.1949  1629.08  160.963  1450.88  184.561 178.2035 244.8916 
1 1 1   -9   20    5 o  549.837  174.725   4.7594   3.3821   5.7322   4.7278   3.7398   4.8402  614.484  207.248  551.575  206.999 62.90930 292.9171 
1 1 1   -9   20    9 o  220.014  107.496  -4.6025   2.4455  -4.1470   3.4921  -5.0410   3.4258  296.619  140.565  278.790  134.040 17.82895 194.2298 
1 1 1   -9   20   11 o  465.088  187.637   1.6254   4.2135   1.6254   4.2135   0.0000   0.0000  465.088  187.637  ?   ?  0.000000 187.6372 
1 1 1   -9   20   13 o  1081.22  184.517   19.224   6.0228   19.224   6.0228   0.0000   0.0000  1081.22  184.517  ?   ?  0.000000 184.5170 
1 1 1   -9   20   17 o  1235.62  174.697   24.885   6.5707   24.885   6.5707   0.0000   0.0000  1235.62  174.697  ?   ?  0.000000 174.6975 
1 1 1   -9   20   19 o  1760.69  159.113   49.857   8.6773   0.0000   0.0000   49.857   8.6773  ?   ?   1760.69  159.113 0.000000 159.1128 
1 1 1   -9   20   21 o  1813.87  117.826   52.309   6.6559   57.773   9.4536   46.938   9.3726  1894.57  160.878  1700.77  178.664 193.8013 240.4214 
1 1 1   -9   20   23 o  2607.54  126.821  107.974   10.355  114.992   14.667  101.001   14.620  2668.03  176.566  2494.34  188.585 173.6953 258.3406 
1 1 1   -9   20   25 o  923.756  145.708   13.943   4.0749   13.074   5.6636   14.875   5.8674  878.793  208.891  938.957  205.288 -60.16443 292.8804 
1 1 1   -9   20   27 o  923.135  149.413   13.975   4.1713   19.584   5.6868   7.4413   6.1370  1089.57  172.424  690.560  236.108 399.0132 292.3643 
1 1 1   -9   20   29 o  768.760  223.760   10.010   5.7122   10.010   5.7122   0.0000   0.0000  768.760  223.760  ?   ?  0.000000 223.7599 
1 1 1   -9   20   31 o  2168.59  121.301   75.192   8.2038   81.330   11.533   68.907   11.672  2235.78  165.928  2048.14  183.954 187.6445 247.7320 
1 1 1   -9   20   33 o  948.692  214.782   15.552   6.2318   0.0000   0.0000   15.552   6.2318  ?   ?   948.692  214.782 0.000000 214.7821 
1 1 1   -9   20   35 o  2236.50  181.056   83.380   12.571   0.0000   0.0000   83.380   12.571  ?   ?   2236.50  181.056 0.000000 181.0564 
1 1 1   -9   20   43 o  1148.75  151.566   23.366   5.3187   20.595   7.2649   26.567   7.8079  997.765  236.196  1152.39  224.452 -154.6274 325.8333 
1 1 1   -9   20   45 o  825.422  239.186   15.267   6.5400   15.267   6.5400   0.0000   0.0000  825.422  239.186  ?   ?  0.000000 239.1859 
1 1 1   -9   20   47 o  660.264  205.276   9.5477   4.6934   11.537   5.9522   6.2772   7.6314  694.527  232.549  554.738  239.782 139.7889 334.0275 
1 1 1   -9   20   49 o  554.440  193.805   6.9354   4.1447   4.7926   5.0536   11.339   7.2441  485.974  201.810  624.668  248.050 -138.6938 319.7753 
1 1 1   -9   21    4 o  655.800  174.117   7.0882   3.6353   15.263   5.2846  -0.2555   5.0087  963.487  181.832  454.246  195.297 509.2405 266.8404 
1 1 1   -9   21    8 o  599.631  207.311   5.2575   4.7363   0.0000   0.0000   5.2575   4.7363  ?   ?   599.631  207.311 0.000000 207.3108 
1 1 1   -9   21   10 o  670.764  172.065   7.4347   3.6315   11.045   5.0574   3.5915   5.2179  814.726  199.775  560.571  213.872 254.1553 292.6623 
1 1 1   -9   21   12 o  793.408  219.608   10.449   5.6413   10.449   5.6413   0.0000   0.0000  793.408  219.608  ?   ?  0.000000 219.6077 
1 1 1   -9   21   14 o  1189.50  128.171   22.627   4.6985   35.326   6.6078   9.6398   6.6822  1486.02  143.807  774.256  245.548 711.7632 284.5594 
1 1 1   -9   21   18 o  1647.10  168.964   43.730   8.5909   43.730   8.5909   0.0000   0.0000  1647.10  168.964  ?   ?  0.000000 168.9636 
1 1 1   -9   21   20 f  1437.01  178.620   33.553   7.8638   33.553   7.8638   0.0000   0.0000  1437.01  178.620  ?   ?  0.000000 178.6196 
1 1 1   -9   21   24 o  1476.12  119.249   34.738   5.4647   47.643   7.8949   22.868   7.5718  1722.69  147.791  1169.62  214.654 553.0659 260.6120 
1 1 1   -9   21   26 o  1502.99  181.509   36.892   8.3693   0.0000   0.0000   36.892   8.3693  ?   ?   1502.99  181.509 0.000000 181.5092 
1 1 1   -9   21   28 f  4493.64  250.502  336.369   35.107   0.0000   0.0000  336.369   35.107  ?   ?   4493.64  250.502 0.000000 250.5019 
1 1 1   -9   21   30 o  2176.02  128.171   75.733   8.6946   78.421   11.997   72.760   12.618  2194.24  176.096  2104.58  193.652 89.65479 261.7458 
1 1 1   -9   21   32 o  2536.60  129.381  103.241   10.242  111.642   14.450   94.759   14.520  2610.43  177.840  2393.03  195.482 217.3931 264.2732 
1 1 1   -9   21   34 o  908.397  183.126   14.086   5.0290   13.929   7.4515   14.217   6.8152  881.204  255.300  893.603  238.941 -12.39886 349.6721 
1 1 1   -9   21   38 o  725.318  213.611   9.6216   5.1787   15.196   7.8576   5.3410   6.8858  881.882  263.956  612.303  242.249 269.5792 358.2703 
1 1 1   -9   21   40 o  1398.02  216.340   36.270   9.1645   0.0000   0.0000   36.270   9.1645  ?   ?   1398.02  216.340 0.000000 216.3402 
1 1 1   -9   21   42 o  397.826  188.130  -4.5773   6.1927   0.0000   0.0000  -4.5773   6.1927  ?   ?   397.826  188.130 0.000000 188.1298 
1 1 1   -9   22    1 o  1063.04  143.224   18.181   4.6461   16.594   6.7038   19.647   6.4450  999.114  220.215  1094.54  195.208 -95.42548 294.2804 
1 1 1   -9   22    3 o  1100.36  142.714   19.455   4.8014   18.231   6.7390   20.716   6.8426  1049.69  212.324  1123.00  202.020 -73.30823 293.0760 
1 1 1   -9   22    5 o  600.083  213.941   4.9904   5.0708   4.9904   5.0708   0.0000   0.0000  600.083  213.941  ?   ?  0.000000 213.9412 
1 1 1   -9   22    7 o  752.941  171.250   9.3569   3.9463   17.478   5.7243   2.0013   5.4479  1033.18  183.671  526.718  213.057 506.4575 281.2976 
1 1 1   -9   22    9 o  713.522  171.473   8.4100   3.7835   11.014   5.5481   6.1467   5.1729  814.508  214.552  640.205  216.779 174.3039 305.0012 
1 1 1   -9   22   11 o  370.610  170.448  -3.3391   4.5430   0.0000   0.0000  -3.3391   4.5430  ?   ?   370.610  170.448 0.000000 170.4481 
1 1 1   -9   22   13 o  440.542  190.586  -0.5041   4.8296   0.0000   0.0000  -0.5041   4.8296  ?   ?   440.542  190.586 0.000000 190.5863 
1 1 1   -9   22   15 o  637.016  181.525   6.6374   3.7964   12.264   5.3951   1.1184   5.3433  858.093  203.817  500.075  207.577 358.0173 290.9118 
1 1 1   -9   22   17 o  638.116  172.450   6.7079   3.5276   9.1630   5.4275   4.9122   4.6418  746.683  218.337  584.941  205.062 161.7418 299.5356 
1 1 1   -9   22   19 o  377.718  156.166   0.6550   3.0070   2.7118   4.5244  -0.9723   4.0245  509.930  197.946  389.290  171.087 120.6395 261.6363 
1 1 1   -9   22   21 o  390.440  161.747   0.6748   3.2350   3.8168   5.0947  -1.4479   4.1876  561.920  212.063  387.188  172.130 174.7321 273.1289 
1 1 1   -9   22   25 o  432.189  192.341  -1.7623   5.2424  -1.7623   5.2424   0.0000   0.0000  432.189  192.341  ?   ?  0.000000 192.3408 
1 1 1   -9   22   29 o  1318.46  197.610   28.852   7.9068   28.852   7.9068   0.0000   0.0000  1318.46  197.610  ?   ?  0.000000 197.6100 
1 1 1   -9   22   31 o  1555.09  133.176   38.991   6.4222   44.297   9.0898   33.702   9.0751  1639.51  180.024  1414.12  211.441 225.3942 277.6977 
1 1 1   -9   22   33 o  1865.15  130.815   56.270   7.5915   65.107   10.629   47.067   10.847  1983.96  172.819  1661.37  213.441 322.5831 274.6328 
1 1 1   -9   22   35 o  1783.41  134.759   51.987   7.4698   49.986   10.154   54.347   11.028  1711.84  192.782  1779.06  201.524 -67.21838 278.8845 
1 1 1   -9   22   37 o  774.159  217.786   10.924   5.5012   17.289   8.6772   6.6469   7.1134  940.849  276.340  652.861  249.564 287.9882 372.3519 
1 1 1   -9   22   39 o  483.031  205.146   1.5190   5.4059   8.1294   8.1427  -3.6907   7.2287  687.953  265.969  456.471  211.729 231.4813 339.9535 
1 1 1   -9   22   41 o  945.855  268.550   18.743   8.3247   18.743   8.3247   0.0000   0.0000  945.855  268.550  ?   ?  0.000000 268.5497 
1 1 1   -9   22   43 o  664.894  249.936   8.8470   7.0620   8.8470   7.0620   0.0000   0.0000  664.894  249.936  ?   ?  0.000000 249.9358 
1 1 1   -9   22   45 o  517.526  232.607   1.8114   7.8728   0.0000   0.0000   1.8114   7.8728  ?   ?   517.526  232.607 0.000000 232.6074 
1 1 1   -9   22   47 o  454.368  214.012  -1.7017   7.8687   0.0000   0.0000  -1.7017   7.8687  ?   ?   454.368  214.012 0.000000 214.0123 
1 1 1   -9   23    2 o  1070.72  154.606   18.502   5.0333   29.428   7.1003   7.4651   7.1361  1351.77  171.615  721.755  254.172 630.0120 306.6837 
1 1 1   -9   23    4 o  959.549  230.762   15.334   6.8485   15.334   6.8485   0.0000   0.0000  959.549  230.762  ?   ?  0.000000 230.7625 
1 1 1   -9   23    6 o  289.730  138.410  -4.7634   3.5257 -10.2991   5.0298   0.5843   4.9436  306.836  150.787  471.634  198.009 -164.7978 248.8857 
1 1 1   -9   23    8 f  416.529  174.553   0.4754   3.8303   2.0284   5.4883  -0.9992   5.3481  529.381  213.947  454.823  198.618 74.55774 291.9294 
1 1 1   -9   23   10 o  1052.33  216.112   18.339   6.8828   0.0000   0.0000   18.339   6.8828  ?   ?   1052.33  216.112 0.000000 216.1122 
1 1 1   -9   23   12 o  1356.28  190.817   29.855   7.8796   0.0000   0.0000   29.855   7.8796  ?   ?   1356.28  190.817 0.000000 190.8169 
1 1 1   -9   23   14 o  1143.30  209.319   21.537   7.2174   0.0000   0.0000   21.537   7.2174  ?   ?   1143.30  209.319 0.000000 209.3188 
1 1 1   -9   23   16 o  1587.11  126.289   40.016   6.2242   44.149   8.8240   35.924   8.7809  1657.63  172.532  1488.45  192.942 169.1821 258.8315 
1 1 1   -9   23   18 o  1269.28  134.930   25.757   5.2804   32.368   7.5683   19.487   7.3710  1415.78  174.408  1081.61  224.969 334.1616 284.6564 
1 1 1   -9   23   20 o  875.981  165.106   12.589   4.3626   9.9537   6.5165   14.730   5.8729  782.930  241.628  941.009  205.107 -158.0788 316.9431 
1 1 1   -9   23   22 o  1816.40  123.007   52.383   6.9549   55.037   10.322   50.176   9.4121  1847.59  180.736  1765.68  172.439 81.90540 249.8013 
1 1 1   -9   23   24 o  1059.81  153.451   18.229   4.9441   19.018   7.9985   17.740   6.2896  1059.76  245.804  1033.16  201.657 26.60132 317.9388 
1 1 1   -9   23   26 o  371.800  169.605  -2.6886   4.3770   0.0000   0.0000  -2.6886   4.3770  ?   ?   371.800  169.605 0.000000 169.6054 
1 1 1   -9   23   28 o  562.644  207.878   4.2128   4.8440   0.0000   0.0000   4.2128   4.8440  ?   ?   562.644  207.878 0.000000 207.8781 
1 1 1   -9   23   32 o  1273.73  220.962   27.979   8.4932   27.979   8.4932   0.0000   0.0000  1273.73  220.962  ?   ?  0.000000 220.9622 
1 1 1   -9   23   34 o  1399.48  222.631   34.234   9.4291   34.234   9.4291   0.0000   0.0000  1399.48  222.631  ?   ?  0.000000 222.6307 
1 1 1   -9   23   36 o  1003.65  254.219   18.826   7.9982   18.826   7.9982   0.0000   0.0000  1003.65  254.219  ?   ?  0.000000 254.2194 
1 1 1   -9   23   38 o  707.150  227.965   9.1029   5.7415   17.599   9.0266   3.3302   7.4407  938.143  283.390  581.983  243.545 356.1592 373.6630 
1 1 1   -9   23   40 o  417.838  191.464  -2.3480   5.6607  -0.4161   8.7607  -3.7327   7.4170  542.658  244.499  460.023  213.751 82.63577 324.7604 
1 1 1   -9   23   42 o  906.266  234.257   16.303   6.6960   11.125   9.2475   22.010   9.7086  736.722  283.825  996.238  292.215 -259.5167 407.3651 
1 1 1   -9   23   44 o  769.754  267.679   13.257   7.9018   13.257   7.9018   0.0000   0.0000  769.754  267.679  ?   ?  0.000000 267.6791 
1 1 1   -9   24    1 o  1420.87  159.808   32.318   6.9866   26.155   10.361   37.458   9.4611  1251.31  272.190  1521.44  203.710 -270.1359 339.9777 
1 1 1   -9   24    3 o  422.040  186.375  -1.4349   4.8303  -2.4250   7.8798  -0.8389   6.1136  535.295  237.134  492.172  213.674 43.12277 319.2007 
1 1 1   -9   24    5 o  1425.07  117.180   32.183   5.1825   33.964   6.5920   29.301   8.3861  1459.49  146.211  1341.87  206.184 117.6238 252.7640 
1 1 1   -9   24    7 o  353.716  162.409  -2.9769   4.1014  -6.6049   5.9468   0.3142   5.6640  392.842  185.340  496.840  210.441 -103.9980 280.4219 
1 1 1   -9   24    9 o  689.533  230.791   7.1998   5.8625   0.0000   0.0000   7.1998   5.8625  ?   ?   689.533  230.791 0.000000 230.7910 
1 1 1   -9   24   11 o  600.026  231.050   3.9013   6.1259   0.0000   0.0000   3.9013   6.1259  ?   ?   600.026  231.050 0.000000 231.0500 
1 1 1   -9   24   13 o  1131.52  214.823   21.094   7.3330   0.0000   0.0000   21.094   7.3330  ?   ?   1131.52  214.823 0.000000 214.8229 
1 1 1   -9   24   15 o  1631.92  185.401   42.871   9.3057   0.0000   0.0000   42.871   9.3057  ?   ?   1631.92  185.401 0.000000 185.4014 
1 1 1   -9   24   17 o  805.621  194.504   10.755   4.8509   12.896   7.2686   9.0360   6.5137  882.357  251.081  756.203  242.710 126.1547 349.2131 
1 1 1   -9   24   19 f  720.261  197.209   8.5544   4.5780   11.983   6.6864   5.5291   6.2811  850.158  240.432  646.907  237.085 203.2516 337.6645 
1 1 1   -9   24   21 o  1304.67  147.371   27.321   5.9150   31.007   8.6508   24.085   8.1058  1375.79  207.242  1205.01  223.040 170.7743 304.4606 
1 1 1   -9   24   23 o  471.023  189.175   1.7570   4.2619   4.3661   6.8884   0.1388   5.4249  630.197  244.352  480.024  204.725 150.1735 318.7790 
1 1 1   -9   24   25 o  1180.99  156.190   22.636   5.6342   21.400   8.8853   23.467   7.2863  1118.07  258.899  1189.31  202.939 -71.24365 328.9568 
1 1 1   -9   24   27 o  1044.51  163.784   17.927   5.1806   14.612   7.9815   20.341   6.8101  921.032  263.460  1100.95  205.092 -179.9156 333.8774 
1 1 1   -9   24   29 o  516.979  192.654   3.4866   4.1782   1.5463   7.0802   4.5234   5.1754  563.867  236.860  578.459  214.643 -14.59155 319.6470 
1 1 1   -9   24   31 o  413.463  177.037   0.1383   4.0858   1.3139   6.3678  -0.6843   5.3270  531.459  224.010  450.738  197.493 80.72104 298.6366 
1 1 1   -9   24   33 o  616.312  229.520   5.4807   5.9283   0.0000   0.0000   5.4807   5.9283  ?   ?   616.312  229.520 0.000000 229.5198 
1 1 1   -9   24   35 o  671.127  263.661   6.2063   8.1035   6.2063   8.1035   0.0000   0.0000  671.127  263.661  ?   ?  0.000000 263.6612 
1 1 1   -9   24   37 o  445.697  207.072  -4.3819   6.9578  -4.3819   6.9578   0.0000   0.0000  445.697  207.072  ?   ?  0.000000 207.0717 
1 1 1   -9   24   39 o  712.882  280.963   8.4270   9.2295   8.4270   9.2295   0.0000   0.0000  712.882  280.963  ?   ?  0.000000 280.9632 
1 1 1   -9   24   41 f  677.535  309.251   2.2287   14.578   2.2287   14.578   0.0000   0.0000  677.535  309.251  ?   ?  0.000000 309.2508 
1 1 1   -9   24   43 o  579.187  250.734   3.5621   8.3702   3.5621   8.3702   0.0000   0.0000  579.187  250.734  ?   ?  0.000000 250.7340 
1 1 1   -9   25    2 o  1067.30  195.370   18.621   6.2886   14.800   8.7617   22.681   9.0312  949.779  277.319  1168.72  254.037 -218.9390 376.0857 
1 1 1   -9   25    4 o  599.836  249.605   1.4510   7.7534   0.0000   0.0000   1.4510   7.7534  ?   ?   599.836  249.605 0.000000 249.6049 
1 1 1   -9   25    6 o  595.354  241.411   2.4538   7.0128   0.0000   0.0000   2.4538   7.0128  ?   ?   595.354  241.411 0.000000 241.4105 
1 1 1   -9   25    8 o  714.596  233.076   7.8874   5.9917   6.4655   10.064   8.6681   7.4573  766.668  295.885  762.952  260.272 3.716431 394.0675 
1 1 1   -9   25   10 o  1286.29  172.799   26.652   6.7838   20.508   11.345   30.071   8.4637  1108.25  313.097  1360.59  205.027 -252.3362 374.2535 
1 1 1   -9   25   12 o  725.646  223.098   8.4219   5.5613   13.409   9.6919   5.9737   6.7905  918.757  296.183  674.322  246.606 244.4355 385.4070 
1 1 1   -9   25   14 o  604.002  220.926   4.7565   5.4502   8.5193   10.007   3.1695   6.4987  806.835  298.648  593.632  235.189 213.2036 380.1375 
1 1 1   -9   25   16 o  1312.70  290.427   29.048   11.621   29.048   11.621   0.0000   0.0000  1312.70  290.427  ?   ?  0.000000 290.4269 
1 1 1   -9   25   18 o  633.696  197.776   6.3794   4.3520   11.562   5.7983  -0.3072   6.5860  833.986  219.169  520.165  223.799 313.8212 313.2424 
1 1 1   -9   25   20 o  507.204  195.186   2.7961   4.3696  -2.0517   5.7169   9.6075   6.7765  450.125  200.550  774.791  247.441 -324.6664 318.5080 
1 1 1   -9   25   22 o  522.888  215.091   1.6052   5.6665   3.9807   11.038   0.7552   6.6029  733.019  300.711  539.373  227.767 193.6462 377.2331 
1 1 1   -9   25   24 o  1183.85  149.616   22.684   5.4223   24.116   7.1053   20.688   8.3906  1208.46  194.361  1101.29  249.143 107.1722 315.9886 
1 1 1   -9   25   26 o  773.501  230.593   10.038   6.0056   11.310   11.107   9.5121   7.1393  863.761  315.467  767.116  254.626 96.64563 405.4053 
1 1 1   -9   25   28 o  675.597  205.579   7.5841   4.7375   18.137   6.5905  -3.6992   6.8149  1033.03  210.881  464.037  211.663 568.9910 298.7838 
1 1 1   -9   25   30 o  826.274  190.238   11.630   4.8201   9.8846   6.7671   13.428   6.8674  765.754  247.555  876.631  242.165 -110.8770 346.3054 
1 1 1   -9   25   32 o  623.675  203.764   6.3769   4.5786   1.4953   6.4941   11.202   6.4564  538.017  226.467  800.552  239.189 -262.5355 329.3915 
1 1 1   -9   25   34 o  599.267  203.145   5.8072   4.5427   19.754   6.7248  -5.8983   6.1608  1065.44  209.042  400.373  188.818 665.0646 281.6926 
1 1 1   -9   25   36 o  475.546  196.749   1.6730   4.7778  -4.4748   7.2669   6.3540   6.3410  459.209  212.747  641.570  237.681 -182.3618 318.9879 
1 1 1   -9   25   38 o  801.457  206.221   11.559   5.2052   16.818   7.3884   6.3766   7.3346  946.959  246.701  651.513  252.273 295.4470 352.8505 
1 1 1   -9   25   40 o  509.471  208.183   2.7436   5.2644  -0.7858   8.9374   4.6187   6.5145  548.282  247.001  585.640  234.352 -37.35815 340.4849 
1 1 1   -9   26    1 o  790.927  243.797   10.004   6.6363   3.2589   9.3182   16.946   9.4535  684.134  277.968  1011.98  285.778 -327.8428 398.6664 
1 1 1   -9   26    3 o  953.852  233.364   15.082   6.9128   15.082   6.9128   0.0000   0.0000  953.852  233.364  ?   ?  0.000000 233.3644 
1 1 1   -9   26    5 o  379.658  175.877  -4.1815   4.9649   6.6655   6.1515 -24.4519   8.4093  679.996  236.197  350.510  175.870 329.4864 294.4813 
1 1 1   -9   26    7 o  1281.32  187.178   26.557   7.2883   24.896   10.849   27.923   9.8396  1219.18  288.646  1299.96  250.817 -80.77979 382.3946 
1 1 1   -9   26    9 o  666.315  238.863   6.0766   6.3293  -1.9868   9.8283   11.790   8.2732  611.462  268.077  861.085  273.235 -249.6229 382.7827 
1 1 1   -9   26   11 o  344.852  166.955  -9.0607   5.5448  -0.8746   9.2681 -13.6240   6.9198  609.258  263.796  363.935  178.444 245.3224 318.4817 
1 1 1   -9   26   13 o  941.527  223.548   14.736   6.4922   18.580   10.828   12.579   8.1118  1055.93  308.290  879.850  269.265 176.0776 409.3243 
1 1 1   -9   26   15 o  358.081  171.984  -8.0920   5.6062   8.0141   9.8061 -15.9122   6.8330  789.751  294.978  341.890  169.435 447.8613 340.1764 
1 1 1   -9   26   17 o  800.602  232.378   10.558   6.1684   6.9798   11.210   12.112   7.3875  796.642  310.925  857.651  255.765 -61.00952 402.6041 
1 1 1   -9   26   19 o  703.024  204.649   8.1052   4.7779   15.409   6.3168  -1.6598   7.3042  960.256  215.391  522.347  230.003 437.9092 315.1107 
1 1 1   -9   26   21 o  1735.45  166.417   48.499   8.9324   48.499   8.9324   0.0000   0.0000  1735.45  166.417  ?   ?  0.000000 166.4173 
1 1 1   -9   26   23 o  1350.35  184.701   29.841   7.6050   23.611   13.271   32.887   9.2798  1158.41  342.178  1407.70  217.542 -249.2920 405.4756 
1 1 1   -9   26   25 o  819.082  211.455   11.350   5.4605   12.670   7.4999   9.8609   7.9657  864.398  257.688  788.365  268.996 76.03296 372.5074 
1 1 1   -9   26   27 o  519.520  220.452   0.7053   6.2339  -2.2189   12.070   1.7691   7.2800  657.200  292.196  577.406  241.202 79.79327 378.8891 
1 1 1   -9   26   29 o  466.056  198.462   0.4037   5.0838   2.0373   6.9800  -1.4418   7.4192  570.603  237.084  521.382  230.577 49.22144 330.7183 
1 1 1   -9   26   31 o  783.678  218.664   10.596   5.5694   9.5833   7.3309   11.977   8.5648  760.823  258.064  836.443  278.951 -75.61975 380.0136 
1 1 1   -9   26   33 o  459.428  197.946   0.1210   5.1670  -0.7390   7.0582   1.1141   7.5848  514.566  226.348  564.856  241.517 -50.28918 331.0046 
1 1 1   -9   26   35 o  775.889  253.670   10.571   7.0957   29.574   14.528   4.6180   8.1315  1207.68  358.337  642.691  260.181 564.9918 442.8318 
1 1 1   -9   26   37 o  602.743  228.727   5.2354   5.9477   3.5466   9.0084   6.5405   7.9191  634.688  266.921  672.545  261.655 -37.85638 373.7783 
1 1 1   -9   26   39 o  735.716  228.833   9.8583   5.8317   15.411   9.2855   6.2413   7.4941  885.170  290.224  649.180  253.990 235.9902 385.6693 
1 1 1   -9   27    2 o  673.277  270.878   3.5907   8.7549   3.5907   8.7549   0.0000   0.0000  673.277  270.878  ?   ?  0.000000 270.8778 
1 1 1   -9   27    4 o  716.306  221.227   8.1824   5.4614   6.2339   6.6334   12.282   9.6223  677.727  244.361  889.866  295.617 -212.1387 383.5386 
1 1 1   -9   27    6 f  516.411  208.476   1.9193   5.2050   2.4509   6.6108   1.0522   8.4428  580.914  234.797  614.544  258.425 -33.63068 349.1603 
1 1 1   -9   27    8 o  669.805  250.057   5.5686   7.0452   7.6252   10.929   4.1064   9.2154  807.975  309.226  695.946  278.646 112.0287 416.2508 
1 1 1   -9   27   10 o  435.249  192.576  -1.6047   5.1812  -1.9515   6.5006  -1.0007   8.5789  487.556  215.714  582.903  253.090 -95.34668 332.5467 
1 1 1   -9   27   12 o  1104.38  171.058   19.794   5.7241   23.643   7.3024   13.662   9.2183  1202.12  201.105  917.991  288.062 284.1252 351.3159 
1 1 1   -9   27   14 f  695.025  231.116   7.4154   5.8809   16.775   10.942   3.6136   6.9737  1008.37  313.421  617.800  243.991 390.5728 397.1956 
1 1 1   -9   27   16 o  628.139  230.565   5.1945   5.9437  -3.9021   11.235   8.7303   7.0042  625.971  279.853  752.509  252.262 -126.5381 376.7675 
1 1 1   -9   27   18 o  657.018  239.340   5.8573   6.3873   18.058   11.464   0.3647   7.6919  1036.87  320.563  572.160  243.892 464.7126 402.7955 
1 1 1   -9   27   20 o  544.752  224.852   1.6630   6.2189   7.2269   11.360  -0.7179   7.4314  798.754  312.659  542.224  235.493 256.5308 391.4236 
1 1 1   -9   27   22 o  618.670  220.861   5.4372   5.4059   7.4461   7.4423   3.1934   7.8654  719.861  258.914  630.347  255.642 89.51355 363.8535 
1 1 1   -9   27   24 o  613.432  241.802   3.8736   6.8369   11.325   12.514   0.7029   8.1630  889.675  333.039  589.731  251.312 299.9442 417.2202 
1 1 1   -9   27   26 o  737.381  260.180   8.2620   7.4810   8.2620   7.4810   0.0000   0.0000  737.381  260.180  ?   ?  0.000000 260.1798 
1 1 1   -9   27   28 o  676.842  250.042   6.4231   7.0079  -1.5556   13.199   9.5550   8.2697  693.742  307.138  779.812  273.690 -86.07050 411.3878 
1 1 1   -9   27   30 o  584.406  238.203   2.8569   6.8704   14.461   13.279  -1.3848   8.0285  939.149  344.643  543.295  240.083 395.8542 420.0228 
1 1 1   -9   27   32 o  929.177  229.831   15.075   6.6498   0.6434   9.4241   29.386   9.3845  615.091  266.165  1301.30  239.126 -686.2042 357.8053 
1 1 1   -9   27   34 o  445.091  202.907  -3.1083   6.2517   5.1038   9.0710 -10.5382   8.6282  679.047  274.836  447.065  214.360 231.9825 348.5472 
1 1 1   -9   27   36 o  355.518  172.140  -8.7770   5.8989  -6.6065   8.2343 -11.0653   8.4547  470.447  220.747  433.032  208.774 37.41531 303.8347 
1 1 1   -9   28    1 o  677.803  251.348   5.8383   7.0946   5.8383   7.0946   0.0000   0.0000  677.803  251.348  ?   ?  0.000000 251.3483 
1 1 1   -9   28    3 o  804.648  291.103   8.9307   9.4253   8.9307   9.4253   0.0000   0.0000  804.648  291.103  ?   ?  0.000000 291.1026 
1 1 1   -9   28    5 o  353.461  173.083 -12.4418   6.4463 -12.4418   6.4463   0.0000   0.0000  353.461  173.083  ?   ?  0.000000 173.0826 
1 1 1   -9   28    7 o  855.494  323.250   9.1378   11.847   9.1378   11.847   0.0000   0.0000  855.494  323.250  ?   ?  0.000000 323.2505 
1 1 1   -9   28    9 o  643.534  249.650   4.3807   7.1931   4.3807   7.1931   0.0000   0.0000  643.534  249.650  ?   ?  0.000000 249.6496 
1 1 1   -9   28   11 o  841.164  221.497   11.748   5.9145   15.891   7.2767   3.6832   10.153  975.107  239.955  711.678  289.763 263.4290 376.2197 
1 1 1   -9   28   13 o  599.499  226.702   4.2649   5.8299   17.007   11.240  -0.4239   6.8187  1015.90  317.977  527.103  227.247 488.7948 390.8329 
1 1 1   -9   28   15 o  524.035  204.140   2.7841   4.8251   3.7462   6.9076   1.8674   6.7428  618.206  243.251  570.090  234.584 48.11597 337.9360 
1 1 1   -9   28   17 o  872.797  226.706   12.743   6.2514   19.981   12.172   10.149   7.2856  1086.85  329.255  797.064  256.780 289.7828 417.5461 
1 1 1   -9   28   19 o  904.923  244.144   13.769   7.0775   21.948   12.790   10.159   8.4971  1130.92  336.370  811.952  277.820 318.9678 436.2665 
1 1 1   -9   28   21 o  1324.31  191.083   28.702   7.6944   29.858   13.621   28.160   9.3248  1306.16  332.250  1296.85  238.417 9.304810 408.9406 
1 1 1   -9   28   23 o  1005.44  243.805   17.192   7.5964   8.9962   14.554   20.261   8.9058  886.296  351.702  1087.49  264.154 -201.1969 439.8540 
1 1 1   -9   28   25 o  909.627  258.261   14.104   7.6991   24.718   13.485   8.9710   9.3778  1179.52  343.936  790.031  289.669 389.4921 449.6674 
1 1 1   -9   28   27 o  707.445  258.875   7.1177   7.4846   16.328   13.723   3.2180   8.9297  995.347  352.259  656.531  270.033 338.8167 443.8516 
1 1 1   -9   28   29 o  403.809  196.958 -13.9314   8.1098   0.0000   0.0000 -13.9314   8.1098  ?   ?   403.809  196.958 0.000000 196.9581 
1 1 1   -9   28   33 o  794.267  274.453   10.486   8.3004   24.126   16.187   5.6196   9.6682  1122.08  383.453  707.477  284.651 414.6069 477.5584 
1 1 1   -9   29    2 o  624.980  231.268   4.9515   6.0000   4.7518   7.5225   5.3008   9.9475  662.370  255.762  738.681  291.510 -76.31104 387.8044 
1 1 1   -9   29    4 o  727.981  259.947   7.4076   7.4889   10.849   10.259   3.4828   10.957  863.527  304.688  731.489  299.787 132.0374 427.4424 
1 1 1   -9   29    6 o  716.861  240.648   7.7917   6.3742   9.2767   7.8432   4.9028   10.940  784.527  266.923  755.856  303.255 28.67188 403.9948 
1 1 1   -9   29    8 o  593.687  231.814   3.5349   6.2330   2.7485   7.6640   5.0712   10.712  621.440  252.237  752.769  300.768 -131.3284 392.5363 
1 1 1   -9   29   10 o  601.368  251.212   1.3894   7.8968   1.3894   7.8968   0.0000   0.0000  601.368  251.212  ?   ?  0.000000 251.2116 
1 1 1   -9   29   12 o  489.202  220.599  -3.4597   7.1491  -3.4597   7.1491   0.0000   0.0000  489.202  220.599  ?   ?  0.000000 220.5992 
1 1 1   -9   29   14 o  788.156  267.113   9.4832   7.8540   9.4832   7.8540   0.0000   0.0000  788.156  267.113  ?   ?  0.000000 267.1134 
1 1 1   -9   29   16 o  450.255  203.037  -2.9448   6.0561   11.402   12.899  -7.0014   6.8591  912.860  338.836  427.560  200.894 485.2999 393.9145 
1 1 1   -9   29   18 o  465.067  207.016  -2.1023   6.0763   27.061   12.515 -11.0983   6.9505  1253.96  318.201  386.566  187.093 867.3978 369.1279 
1 1 1   -9   29   20 o  604.292  235.313   3.8626   6.4093   25.921   13.819  -2.1826   7.2344  1221.53  345.720  510.710  226.681 710.8222 413.4084 
1 1 1   -9   29   22 o  717.785  229.823   8.2406   5.8430   2.8834   8.3813   13.306   8.1502  640.883  262.371  892.865  269.183 -251.9813 375.8969 
1 1 1   -9   29   24 o  569.541  231.859   2.3784   6.4992  -1.6951   10.293   5.0795   8.3815  621.140  273.280  684.620  268.400 -63.48022 383.0411 
1 1 1   -9   29   26 o  1030.88  278.430   18.364   9.1990   0.0000   0.0000   18.364   9.1990  ?   ?   1030.88  278.430 0.000000 278.4297 
1 1 1   -9   29   28 o  434.809  206.242  -8.4936   7.5514 -20.6822   15.590  -4.7572   8.6316  588.371  283.624  520.503  237.725 67.86823 370.0758 
1 1 1   -9   29   30 o  1051.80  269.182   19.394   8.9024   23.517   16.383   17.667   10.604  1138.66  385.791  1001.61  308.093 137.0537 493.7165 
1 1 1   -9   30    1 o  469.330  209.223  -2.3581   6.2313  -4.9024   8.2178   1.0838   9.5582  511.854  233.069  650.697  274.367 -138.8423 359.9976 
1 1 1   -9   30    3 o  549.392  228.070   1.2992   6.4513   7.8086   8.2275  -9.0914   10.395  754.200  272.111  541.238  252.006 212.9619 370.8796 
1 1 1   -9   30    5 o  666.443  260.364   4.4973   7.8662   4.7616   11.035   4.2241   11.216  756.492  304.198  751.527  305.107 4.965210 430.8439 
1 1 1   -9   30    7 o  535.050  226.189   0.4976   6.5233   0.8700   7.9657  -0.2606   11.366  594.701  250.598  683.589  294.059 -88.88843 386.3546 
1 1 1   -9   30    9 o  560.602  233.551   1.2413   6.7993  -7.8101   8.5307   17.007   11.258  487.099  227.298  1019.90  318.071 -532.8052 390.9390 
1 1 1   -9   30   11 o  845.082  219.403   11.846   5.8569   21.603   8.2197   1.7823   8.3476  1140.08  237.943  623.992  259.269 516.0862 351.9056 
1 1 1   -9   30   13 f  400.506  185.426  -4.5184   5.5067  -4.2201   8.0917  -4.7758   7.5155  515.460  233.357  484.999  221.632 30.46136 321.8325 
1 1 1   -9   30   15 o  592.779  248.280   1.2518   7.7426   1.2518   7.7426   0.0000   0.0000  592.779  248.280  ?   ?  0.000000 248.2804 
1 1 1   -9   30   21 o  324.459  162.045 -17.8962   6.7610   0.0000   0.0000 -17.8962   6.7610  ?   ?   324.459  162.045 0.000000 162.0449 
1 1 1   -9   30   23 o  714.191  249.925   7.5566   6.8935   5.1828   12.023   8.7192   8.4140  777.195  315.755  772.764  275.576 4.430542 419.0985 
1 1 1   -9   30   25 o  546.889  223.248   2.0688   6.0462   0.4373   9.3064   3.2604   7.9535  623.489  267.082  634.457  257.153 -10.96735 370.7565 
1 1 1   -9   31    2 o  614.574  239.684   3.7890   6.6574  -4.7762   8.9010   14.664   10.030  539.666  244.493  954.645  300.620 -414.9792 387.4907 
1 1 1   -9   31    4 o  383.005  187.282 -14.0910   7.4675  -6.4979   11.549 -19.5462   9.7891  609.039  276.926  429.928  211.091 179.1110 348.2057 
1 1 1   -9   31    6 o  440.442  204.383  -5.7432   6.7466  -7.6858   8.6935  -2.8018   10.697  495.420  230.602  627.993  277.340 -132.5737 360.6869 
1 1 1   -9   31    8 o  1013.90  236.636   17.092   7.3757   25.382   9.2680   2.7728   12.181  1237.47  247.827  753.169  313.086 484.2976 399.3006 
1 1 1   -9   31   10 o  722.289  242.553   7.8959   6.4755   4.7316   9.4404   10.708   8.8991  714.671  283.364  839.430  284.331 -124.7595 401.4214 
1 1 1   -9   31   12 o  284.896  142.684 -15.2555   5.4128  -7.8539   8.3288 -20.6674   7.1219  478.793  223.814  322.745  161.926 156.0481 276.2480 
1 1 1   -9   31   14 o  830.223  234.647   11.361   6.3705   19.480   8.8008   2.4250   9.2333  1077.83  263.075  663.354  273.906 414.4752 379.7802 
1 1 1   -9   31   16 o  831.953  249.773   11.302   7.0279   19.001   11.687   6.9409   8.7960  1067.74  322.441  743.900  279.073 323.8419 426.4388 
1 1 1   -9   31   18 o  803.842  281.695   9.5223   8.7590   0.0000   0.0000   9.5223   8.7590  ?   ?   803.842  281.695 0.000000 281.6954 
1 1 1   -9   31   20 o  800.513  287.898   9.1241   9.2016   9.1241   9.2016   0.0000   0.0000  800.513  287.898  ?   ?  0.000000 287.8979 
1 1 1   -9   32    1 o  768.713  254.221   9.0581   7.1190   11.327   9.3109   5.8646   11.046  863.063  290.841  779.019  307.257 84.04480 423.0788 
1 1 1   -9   32    3 o  721.662  254.711   7.3612   7.1703   7.6509   9.6679   7.0071   10.690  783.130  292.816  792.577  305.207 -9.446533 422.9569 
1 1 1   -9   32    7 o  768.548  252.113   9.1208   7.0066   13.686   9.8578   4.4601   9.9607  928.839  298.631  724.509  289.833 204.3308 416.1531 
1 1 1   -9   32    9 o  684.098  252.462   5.9987   7.1406  -6.4142   9.7537   20.335   10.482  549.670  251.671  1102.55  296.977 -552.8833 389.2728 
1 1 1   -9   32   11 o  519.213  242.542  -9.0619   9.7544   0.0000   0.0000  -9.0619   9.7544  ?   ?   519.213  242.542 0.000000 242.5420 
1 1 1   -8    0    2 o  4339.08  160.396  296.815   21.725  296.815   21.725  296.815   21.725  4339.08  160.396  4339.08  160.396 -0.000000 0.000000 
1 1 1   -8    0    4 o  8879.67  294.137  1250.37   81.580  1250.37   81.580  1250.37   81.580  8879.67  294.137  8879.67  294.137 -0.000000 0.000000 
1 1 1   -8    0    6 o  4081.80  152.715  262.639   19.457  262.639   19.457  262.639   19.457  4081.80  152.715  4081.80  152.715 -0.000000 0.000000 
1 1 1   -8    0    8 o  885.755   94.866   12.714   2.5550   12.714   2.5550   12.714   2.5550  885.755   94.866  885.755   94.866 -0.000000 0.000000 
1 1 1   -8    0   10 o  2331.54  112.731   85.854   8.1862   85.854   8.1862   85.854   8.1862  2331.54  112.731  2331.54  112.731 -0.000000 0.000000 
1 1 1   -8    0   12 o  3710.17  207.037  219.079   23.881  219.079   23.881  219.079   23.881  3710.17  207.037  3710.17  207.037 -0.000000 0.000000 
1 1 1   -8    0   14 o  2482.08  166.309   98.302   12.792   98.302   12.792   98.302   12.792  2482.08  166.309  2482.08  166.309 -0.000000 0.000000 
1 1 1   -8    0   16 o  4718.26  246.922  356.875   36.252  356.875   36.252  356.875   36.252  4718.26  246.922  4718.26  246.922 -0.000000 0.000000 
1 1 1   -8    0   18 o  4783.79  250.256  367.981   37.252  367.981   37.252  367.981   37.252  4783.79  250.256  4783.79  250.256 -0.000000 0.000000 
1 1 1   -8    0   20 o  813.330  100.812   10.856   2.4613   10.856   2.4613   10.856   2.4613  813.330  100.812  813.330  100.812 -0.000000 0.000000 
1 1 1   -8    0   22 o  2933.83  181.584  137.828   16.535  137.828   16.535  137.828   16.535  2933.83  181.584  2933.83  181.584 -0.000000 0.000000 
1 1 1   -8    0   24 o  8879.32  302.136  1283.94   83.783  1283.94   83.783  1283.94   83.783  8879.32  302.136  8879.32  302.136 -0.000000 0.000000 
1 1 1   -8    0   26 o  1543.56  101.221   37.974   4.8440   37.974   4.8440   37.974   4.8440  1543.56  101.221  1543.56  101.221 -0.000000 0.000000 
1 1 1   -8    0   28 o  899.820  156.755   13.944   4.0152   13.944   4.0152   13.944   4.0152  899.820  156.755  899.820  156.755 -0.000000 0.000000 
1 1 1   -8    0   30 o  2120.96  160.178   73.004   10.498   73.004   10.498   73.004   10.498  2120.96  160.178  2120.96  160.178 -0.000000 0.000000 
1 1 1   -8    0   32 o  1240.90  147.801   25.522   5.5279   25.522   5.5279   25.522   5.5279  1240.90  147.801  1240.90  147.801 -0.000000 0.000000 
1 1 1   -8    0   34 o  219.432  136.975   0.4852   1.9220   0.4852   1.9220   0.4852   1.9220  219.432  136.975  219.432  136.975 -0.000000 0.000000 
1 1 1   -8    0   36 o  3272.22  135.586  171.656   13.838  171.656   13.838  171.656   13.838  3272.22  135.586  3272.22  135.586 -0.000000 0.000000 
1 1 1   -8    0   38 o  453.805  203.528   4.8310   3.0860   4.8310   3.0860   4.8310   3.0860  453.805  203.528  453.805  203.528 -0.000000 0.000000 
1 1 1   -8    0   40 o  286.226  170.340   1.4797   2.6754   1.4797   2.6754   1.4797   2.6754  286.226  170.340  286.226  170.340 -0.000000 0.000000 
1 1 1   -8    0   42 o  652.963  206.654   8.6041   3.7161   8.6041   3.7161   8.6041   3.7161  652.963  206.654  652.963  206.654 -0.000000 0.000000 
1 1 1   -8    0   44 o  2925.89  186.507  139.623   16.928  139.623   16.928  139.623   16.928  2925.89  186.507  2925.89  186.507 -0.000000 0.000000 
1 1 1   -8    0   46 o  ?   ?   -5.5467   1.4428  -5.5467   1.4428  -5.5467   1.4428  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   -8    0   48 o  322.153  187.405   2.0834   3.1140   2.0834   3.1140   2.0834   3.1140  322.153  187.405  322.153  187.405 -0.000000 0.000000 
1 1 1   -8    0   50 o  468.925  221.477   5.2428   3.6776   5.2428   3.6776   5.2428   3.6776  468.925  221.477  468.925  221.477 -0.000000 0.000000 
1 1 1   -8    0   52 o  421.843  216.436   4.2996   3.6340   4.2996   3.6340   4.2996   3.6340  421.843  216.436  421.843  216.436 -0.000000 0.000000 
1 1 1   -8    0   54 o  2210.89  169.493   80.934   11.575   80.934   11.575   80.934   11.575  2210.89  169.493  2210.89  169.493 -0.000000 0.000000 
1 1 1   -8    0   56 o  1145.73  171.736   22.837   5.7531   22.837   5.7531   22.837   5.7531  1145.73  171.736  1145.73  171.736 -0.000000 0.000000 
1 1 1   -8    0   58 o  238.731  159.270  -0.7585   3.2464  -0.7585   3.2464  -0.7585   3.2464  238.731  159.270  238.731  159.270 -0.000000 0.000000 
1 1 1   -8    0   62 o  2932.47  198.872  149.666   18.068  149.666   18.068  149.666   18.068  2932.47  198.872  2932.47  198.872 -0.000000 0.000000 
1 1 1   -8    1    1 o  1100.98   64.905   19.062   2.2277   20.146   3.1550   17.984   3.1458  1129.77   89.930  1066.46   95.204 63.30603 130.9629 
1 1 1   -8    1    3 o  3572.33   98.775  200.235   11.049  211.709   15.631  188.777   15.620  3669.67  136.031  3464.36  143.991 205.3008 198.0854 
1 1 1   -8    1    5 o  1771.66   71.340   49.199   3.9576   51.287   5.5966   47.110   5.5971  1805.15   99.397  1729.42  103.840 75.72620 143.7446 
1 1 1   -8    1    7 o  3025.71   89.019  143.612   8.4339  146.059   11.930  141.167   11.925  3048.48  124.975  2996.80  127.082 51.68311 178.2375 
1 1 1   -8    1    9 o  885.046   65.109   12.345   1.7917   11.875   2.5287   12.817   2.5390  864.671   94.960  899.136   91.456 -34.46552 131.8390 
1 1 1   -8    1   11 o  2117.06   87.887   70.355   5.8260   69.218   7.1365   72.625   10.088  2095.60  109.136  2140.19  151.510 -44.59546 186.7239 
1 1 1   -8    1   13 o  293.432   97.696   1.2771   1.0507   1.9411   1.4790   0.6004   1.4930  357.054  115.762  280.685  112.237 76.36954 161.2384 
1 1 1   -8    1   15 o  1203.01   94.938   22.910   3.5472   24.430   5.0414   21.421   4.9919  1236.36  132.277  1155.11  140.936 81.24365 193.2876 
1 1 1   -8    1   17 o  6113.23  174.186  597.468   33.343  574.334   57.757  609.032   40.834  5849.19  316.528  6141.28  212.349 -292.0894 381.1590 
1 1 1   -8    1   19 f  824.278   78.780   10.787   2.0086   8.6191   3.4633   11.886   2.4656  721.253  157.742  863.454   92.640 -142.2009 182.9332 
1 1 1   -8    1   21 o  732.329   80.366   8.5451   1.8126   7.1733   2.2127   11.344   3.1604  664.719  110.164  836.653  124.426 -171.9334 166.1869 
1 1 1   -8    1   23 o  2384.39   80.451   89.629   6.0066   89.551   8.4946   89.707   8.4946  2375.05  114.223  2377.15  114.122 -2.104492 161.4647 
1 1 1   -8    1   25 o  1183.72   67.812   22.149   2.5030   20.460   3.5363   23.845   3.5433  1130.86  100.927  1223.30   93.205 -92.44397 137.3807 
1 1 1   -8    1   27 o  461.828   94.825   3.5176   1.3253   3.8624   2.3741   3.3614   1.5974  483.382  145.182  449.159  113.526 34.22272 184.2983 
1 1 1   -8    1   29 o  594.214  108.541   5.8612   1.9451   5.2551   2.7776   6.4444   2.7248  553.470  154.420  613.560  144.255 -60.08954 211.3173 
1 1 1   -8    1   31 o  219.097   90.092   0.2706   0.9936  -0.9242   1.6691   0.9265   1.2367  231.281  105.206  276.327  104.432 -45.04617 148.2373 
1 1 1   -8    1   33 o  2403.92   95.019   93.495   7.1523  100.760   8.7788   79.153   12.335  2478.93  113.097  2108.59  188.819 370.3398 220.0993 
1 1 1   -8    1   35 o  1306.91  103.169   28.181   4.1876   28.181   4.1876   0.0000   0.0000  1306.91  103.169  ?   ?  0.000000 103.1693 
1 1 1   -8    1   37 o  1311.20  105.402   28.779   4.2909   28.779   4.2909   0.0000   0.0000  1311.20  105.402  ?   ?  0.000000 105.4020 
1 1 1   -8    1   39 o  2816.01  106.397  133.029   9.3817  129.716   11.493  139.643   16.242  2726.62  134.614  2679.95  194.880 46.67114 236.8530 
1 1 1   -8    1   41 f  3298.10  115.922  184.379   11.971  184.935   14.664  183.268   20.731  3234.66  144.775  2993.24  222.780 241.4231 265.6897 
1 1 1   -8    1   43 o  555.962  137.957   5.6196   2.3902   2.7955   3.3859   8.4251   3.3747  432.306  170.240  667.346  162.920 -235.0397 235.6366 
1 1 1   -8    1   45 o  3572.59  162.943  239.345   18.228  255.923   25.827  222.892   25.729  3349.21  248.036  3021.89  274.922 327.3228 370.2759 
1 1 1   -8    1   47 o  1168.43  110.393   23.784   3.9910   25.972   5.7312   21.723   5.5610  1157.74  162.575  1040.22  177.076 117.5227 240.3880 
1 1 1   -8    1   49 o  2147.73  124.316   83.537   8.3245   87.369   11.836   79.787   11.710  2028.44  188.504  1912.21  198.467 116.2280 273.7208 
1 1 1   -8    1   51 o  1078.43  119.050   21.571   3.9531   27.687   5.7262   16.003   5.4641  1149.29  163.748  787.062  215.430 362.2272 270.5984 
1 1 1   -8    1   53 o  1910.81  131.572   75.655   7.8243   79.208   11.164   72.225   10.969  1624.61  225.541  1506.37  240.654 118.2397 329.8229 
1 1 1   -8    1   55 f  1714.35  142.250   72.312   7.5671   51.878   10.660   93.070   10.744  683.617  289.076  1597.14  220.733 -913.5186 363.7147 
1 1 1   -8    1   57 o  1693.35  208.872  120.054   10.840  110.581   15.332  129.521   15.329  503.069  250.076  616.822  292.946 -113.7531 385.1692 
1 1 1   -8    1   59 o  ?   ?   135.217   16.778  135.217   16.778   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    1   61 o  244.114  122.967   7.0603   4.3331   0.0000   0.0000   7.0603   4.3331  ?   ?   244.114  122.967 0.000000 122.9672 
1 1 1   -8    1   63 o  383.674  188.326   73.674   7.7739   85.936   11.119   61.948   10.873  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    2    2 o  4169.17  110.883  272.912   14.475  274.688   20.473  271.136   20.470  4176.82  156.540  4149.58  157.538 27.24268 222.0878 
1 1 1   -8    2    4 o  1240.07   64.571   24.164   2.4986   22.902   3.5292   25.433   3.5379  1204.55   94.324  1270.21   89.523 -65.66492 130.0435 
1 1 1   -8    2    6 o  292.079   74.361   1.3890   0.6819   0.9940   0.9524   1.8044   0.9767  266.917   92.923  333.827   90.962 -66.91025 130.0337 
1 1 1   -8    2    8 o  6321.33  177.092  630.988   35.053  634.071   42.937  624.828   60.696  6323.30  216.856  6235.32  310.872 87.98145 379.0352 
1 1 1   -8    2   10 o  410.883   85.620   2.7483   1.0658   2.1470   1.3177   3.8859   1.8125  366.704  107.683  487.451  119.640 -120.7476 160.9640 
1 1 1   -8    2   12 o  3690.79  116.627  214.415   13.478  222.031   16.518  199.238   23.317  3751.23  140.623  3530.11  211.924 221.1116 254.3355 
1 1 1   -8    2   14 o  6512.90  227.669  681.601   46.430  622.292   65.676  740.857   65.647  6114.91  344.409  6714.62  312.229 -599.7114 464.8704 
1 1 1   -8    2   16 o  5643.69  162.918  507.164   28.791  475.168   49.875  523.154   35.258  5350.94  298.866  5709.77  197.207 -358.8325 358.0661 
1 1 1   -8    2   18 o  2670.19   98.159  112.453   8.2071  109.889   14.227  113.732   10.047  2613.37  174.866  2680.54  119.705 -67.16821 211.9138 
1 1 1   -8    2   20 o  1935.63  106.750   59.401   6.4450   60.944   9.1108   57.854   9.1185  1948.87  150.463  1897.17  154.848 51.69775 215.9097 
1 1 1   -8    2   22 o  1301.89   79.150   26.796   3.2113   24.514   5.6178   27.903   3.9137  1229.61  148.947  1325.85   94.899 -96.23499 176.6099 
1 1 1   -8    2   24 o  484.797   78.879   3.8012   1.1562   2.7750   1.6408   4.8134   1.6295  413.058  119.838  542.942   99.518 -129.8846 155.7722 
1 1 1   -8    2   26 o  1513.98   82.192   36.399   3.8818   42.229   6.7274   33.489   4.7529  1612.79  134.440  1445.30  105.756 167.4955 171.0512 
1 1 1   -8    2   28 o  2161.96   89.966   74.552   6.0903   69.569   10.521   77.064   7.4691  2038.12  166.303  2188.66  108.986 -150.5386 198.8330 
1 1 1   -8    2   30 f  2343.35   93.411   88.178   6.8541   90.371   8.4136   83.850   11.818  2357.96  113.954  2215.27  171.716 142.6960 206.0873 
1 1 1   -8    2   32 o  4378.63  175.661  331.619   24.084  331.619   24.084   0.0000   0.0000  4378.63  175.661  ?   ?  0.000000 175.6608 
1 1 1   -8    2   34 o  1761.59  108.395   51.073   5.9500   50.610   8.4985   51.519   8.3332  1704.80  161.112  1725.56  155.912 -20.76599 224.2001 
1 1 1   -8    2   36 o  1016.11  104.071   17.214   3.2645   17.214   3.2645   0.0000   0.0000  1016.11  104.071  ?   ?  0.000000 104.0712 
1 1 1   -8    2   38 o  1747.76  105.467   51.209   5.7448   51.209   5.7448   0.0000   0.0000  1747.76  105.467  ?   ?  0.000000 105.4668 
1 1 1   -8    2   40 o  287.871  117.666   0.7156   1.6824   0.7156   1.6824   0.0000   0.0000  287.871  117.666  ?   ?  0.000000 117.6662 
1 1 1   -8    2   42 o  3895.28  131.199  262.705   16.002  269.651   19.612  248.866   27.681  3848.44  162.749  3319.17  268.638 529.2734 314.0920 
1 1 1   -8    2   44 o  1786.24   88.185   52.601   4.9323   57.299   6.0635   43.411   8.4799  1842.05  105.565  1496.24  184.934 345.8003 212.9428 
1 1 1   -8    2   46 f  2076.52  117.937   75.211   7.6367   83.236   10.901   67.476   10.702  2076.98  169.083  1826.21  189.927 250.7682 254.2859 
1 1 1   -8    2   48 o  1801.04  112.895   56.928   6.3345   71.132   9.1027   43.591   8.8206  1932.99  151.608  1416.49  204.816 516.4972 254.8224 
1 1 1   -8    2   50 o  1387.33  114.911   34.627   4.9469   33.609   7.0801   35.598   6.9146  1245.43  187.357  1307.21  173.195 -61.78113 255.1451 
1 1 1   -8    2   52 o  890.053  133.783   15.819   3.6131   17.406   5.3334   14.472   4.9121  806.651  209.341  734.195  205.532 72.45636 293.3716 
1 1 1   -8    2   54 o  724.148  151.999   12.669   3.3367   15.791   4.8572   9.8800   4.5917  671.465  208.839  498.657  197.651 172.8077 287.5405 
1 1 1   -8    2   56 o  1839.29  175.967  107.817   10.011  108.987   14.215  106.665   14.101  775.018  330.985  764.138  328.082 10.88049 466.0353 
1 1 1   -8    2   58 o  ?   ?   205.943   23.173  205.943   23.173   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    2   60 o  828.410  307.685  117.780   10.640  127.687   15.123  108.072   14.971  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    2   62 o  ?   ?    63.942   10.025   0.0000   0.0000   63.942   10.025  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    3    1 o  2825.34  101.118  125.300   8.9458  118.871   15.505  128.508   10.953  2738.15  181.873  2859.57  122.321 -121.4277 219.1810 
1 1 1   -8    3    3 o  1582.31   67.535   39.243   3.3461   37.461   4.7281   41.031   4.7361  1541.87   98.446  1614.37   94.100 -72.50159 136.1852 
1 1 1   -8    3    5 o  6022.91  168.707  572.100   31.817  567.025   38.976  582.237   55.086  5984.83  207.981  6032.56  291.623 -47.72754 358.1897 
1 1 1   -8    3    7 o  3412.81  112.514  182.995   12.024  174.826   14.730  199.304   20.813  3332.41  141.167  3545.65  188.141 -213.2356 235.2131 
1 1 1   -8    3    9 o  1522.25   99.091   36.547   4.6975   34.049   6.6664   39.011   6.6203  1462.31  147.612  1568.02  136.189 -105.7159 200.8398 
1 1 1   -8    3   11 o  1502.38   99.120   35.625   4.6367   33.918   6.5936   37.294   6.5217  1458.77  146.322  1531.82  137.430 -73.04932 200.7418 
1 1 1   -8    3   13 o  2845.50  101.105  127.393   9.0084  129.323   15.626  126.433   11.025  2847.56  176.118  2831.18  124.361 16.37671 215.6001 
1 1 1   -8    3   15 o  4158.80  128.428  273.481   16.724  271.450   28.992  274.494   20.474  4094.98  226.991  4156.25  157.322 -61.26929 276.1797 
1 1 1   -8    3   17 o  2235.89   89.275   78.721   6.2503   78.566   10.859   78.798   7.6435  2214.97  157.592  2233.79  109.277 -18.81763 191.7724 
1 1 1   -8    3   19 o  4105.73  156.503  269.124   20.120  267.985   28.458  270.262   28.451  4049.78  225.305  4067.80  224.232 -18.01465 317.8718 
1 1 1   -8    3   21 o  5154.40  152.582  424.812   24.626  408.255   42.688  433.071   30.149  4929.33  277.699  5178.12  185.944 -248.7979 334.2036 
1 1 1   -8    3   23 o  5035.17  184.031  411.865   29.015   0.0000   0.0000  411.865   29.015  ?   ?   5035.17  184.031 0.000000 184.0310 
1 1 1   -8    3   25 o  1996.79  107.653   63.673   6.7061   64.758   9.4816   62.586   9.4860  1994.14  153.015  1958.77  155.955 35.36987 218.4846 
1 1 1   -8    3   27 o  1245.04   79.839   24.684   3.0961   25.401   3.8091   23.288   5.3152  1257.95   97.464  1186.10  146.210 71.85608 175.7172 
1 1 1   -8    3   29 o  1693.33   85.389   45.878   4.5130   42.966   5.5448   51.593   7.7678  1627.37  109.449  1763.62  141.863 -136.2451 179.1760 
1 1 1   -8    3   31 o  2912.87  104.514  137.397   9.5326  136.728   11.689  138.727   16.473  2880.19  129.605  2820.71  187.578 59.48364 227.9975 
1 1 1   -8    3   33 o  2117.87   90.333   72.341   5.9905   74.339   7.3439   68.367   10.356  2129.04  110.540  1983.52  168.330 145.5199 201.3805 
1 1 1   -8    3   35 o  313.478  108.630   1.5002   1.3008   1.6401   1.6161   1.2426   2.1922  334.374  120.605  341.399  136.174 -7.024963 181.9034 
1 1 1   -8    3   37 o  2406.43   99.054   95.718   7.4638   91.743   9.1569  103.587   12.884  2314.70  126.822  2371.47  174.734 -56.77148 215.9065 
1 1 1   -8    3   39 o  1511.02  105.884   38.324   4.9781   38.324   4.9781   0.0000   0.0000  1511.02  105.884  ?   ?  0.000000 105.8842 
1 1 1   -8    3   41 o  1618.01  100.942   43.585   5.0886   43.585   5.0886   0.0000   0.0000  1618.01  100.942  ?   ?  0.000000 100.9416 
1 1 1   -8    3   43 o  3393.35  153.073  206.877   16.265  206.877   16.265   0.0000   0.0000  3393.35  153.073  ?   ?  0.000000 153.0726 
1 1 1   -8    3   45 o  2186.82   94.738   79.803   6.4871   82.178   7.9616   75.110   11.190  2181.92  116.957  1956.02  184.891 225.8981 218.7773 
1 1 1   -8    3   47 o  1015.01   92.089   17.407   2.8949   16.072   3.6090   19.816   4.8481  947.314  124.698  1018.02  157.150 -70.70459 200.6136 
1 1 1   -8    3   49 o  1707.51  116.452   51.868   6.1891   51.300   8.8633   52.409   8.6462  1567.08  184.138  1602.44  175.171 -35.35657 254.1487 
1 1 1   -8    3   51 o  3426.24  185.569  263.672   19.834  270.433   28.166  257.022   27.935  2632.61  350.388  2495.81  368.541 136.8013 508.5221 
1 1 1   -8    3   53 o  2843.32  178.214  202.824   15.786  220.775   22.482  185.365   22.172  2039.89  365.392  1503.41  441.777 536.4822 573.3050 
1 1 1   -8    3   55 f  1315.22  141.835   42.503   5.7487   36.579   8.3685   47.798   7.9106  692.224  269.070  1086.03  239.096 -393.8074 359.9521 
1 1 1   -8    3   57 o  637.401  179.078   15.281   3.7220   11.445   5.5901   18.336   4.9885  357.789  171.816  531.456  207.420 -173.6677 269.3392 
1 1 1   -8    3   59 o  778.406  198.575   29.691   4.8556   24.744   7.1983   33.821   6.5773  339.196  169.053  485.108  215.690 -145.9112 274.0458 
1 1 1   -8    3   61 o  750.363  244.035   56.099   6.5701   64.908   9.4838   47.970   9.1104  343.600  174.033  ?   ?  0.000000 174.0333 
1 1 1   -8    3   63 o  251.018  123.705   10.112   3.4651   8.1505   5.4674   11.429   4.4796  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    4    2 o  3982.03  124.601  249.315   15.536  249.872   26.932  249.037   19.020  3963.42  217.849  3975.56  152.788 -12.13403 266.0872 
1 1 1   -8    4    4 o  4019.39  146.875  254.450   18.485  280.234   26.189  228.850   26.095  4207.71  198.773  3791.48  220.761 416.2314 297.0624 
1 1 1   -8    4    6 o  4348.67  158.698  298.317   21.609  311.864   30.602  284.843   30.519  4430.81  220.570  4225.41  231.549 205.4053 319.7911 
1 1 1   -8    4    8 o  4247.66  156.946  284.828   20.875  292.908   29.569  276.800   29.474  4284.70  221.146  4162.83  226.971 121.8745 316.8938 
1 1 1   -8    4   10 o  4335.91  129.503  296.276   17.582  314.722   30.495  287.092   21.519  4441.83  219.256  4260.50  161.305 181.3242 272.1997 
1 1 1   -8    4   12 o  2524.48   93.303  100.192   7.3753   97.589   12.798  101.487   9.0247  2475.01  166.100  2538.20  113.550 -63.18555 201.2032 
1 1 1   -8    4   14 f  1222.24   78.431   23.568   2.9858   22.528   5.2206   24.074   3.6399  1184.07  143.755  1233.18   94.997 -49.10608 172.3071 
1 1 1   -8    4   16 o  2274.11   89.459   81.416   6.3702   80.038   11.065   82.099   7.7908  2236.19  159.061  2280.58  109.099 -44.38818 192.8805 
1 1 1   -8    4   18 o  1728.55  147.969   47.893   7.9316   47.893   7.9316   0.0000   0.0000  1728.55  147.969  ?   ?  0.000000 147.9686 
1 1 1   -8    4   20 o  3460.58  200.734  194.570   21.658   0.0000   0.0000  194.570   21.658  ?   ?   3460.58  200.734 0.000000 200.7342 
1 1 1   -8    4   22 o  1559.66  143.906   39.200   6.9487   0.0000   0.0000   39.200   6.9487  ?   ?   1559.66  143.906 0.000000 143.9065 
1 1 1   -8    4   24 o  3301.04  197.835  179.995   20.355   0.0000   0.0000  179.995   20.355  ?   ?   3301.04  197.835 0.000000 197.8346 
1 1 1   -8    4   26 o  875.927  100.602   12.386   2.7092   9.1818   3.8673   15.474   3.7964  732.606  171.598  972.113  127.819 -239.5068 213.9708 
1 1 1   -8    4   28 o  1530.16   83.369   37.381   3.9794   36.889   4.8825   38.354   6.8679  1512.05  103.751  1520.35  146.065 -8.292725 179.1620 
1 1 1   -8    4   30 o  1127.33   79.768   20.361   2.7976   21.025   3.4536   19.095   4.7712  1139.24   97.761  1063.16  147.277 76.08716 176.7701 
1 1 1   -8    4   32 o  1983.15   88.052   63.185   5.4678   65.004   6.7125   59.598   9.4260  1996.30  107.784  1863.92  163.147 132.3785 195.5361 
1 1 1   -8    4   34 o  1393.54   82.846   31.361   3.5987   31.215   4.4150   31.650   6.2122  1378.95  102.994  1355.63  148.796 23.31409 180.9640 
1 1 1   -8    4   36 o  1545.03   83.469   38.824   4.0232   40.495   4.9633   35.621   6.8697  1563.90  101.913  1414.41  157.803 149.4885 187.8510 
1 1 1   -8    4   38 o  1677.24   89.720   46.216   4.6949   41.121   5.7902   55.994   8.0216  1553.46  119.965  1781.50  145.059 -228.0397 188.2385 
1 1 1   -8    4   40 o  3111.36  109.914  162.020   10.708  168.039   13.139  150.115   18.479  3118.85  134.541  2748.03  216.510 370.8225 254.9080 
1 1 1   -8    4   42 o  951.627  111.365   15.364   3.2557   15.364   3.2557   0.0000   0.0000  951.627  111.365  ?   ?  0.000000 111.3646 
1 1 1   -8    4   44 o  4028.62  180.642  309.305   22.787  309.305   22.787   0.0000   0.0000  4028.62  180.642  ?   ?  0.000000 180.6416 
1 1 1   -8    4   46 o  721.340  133.880   9.4680   2.9126   9.4680   2.9126   0.0000   0.0000  721.340  133.880  ?   ?  0.000000 133.8805 
1 1 1   -8    4   48 o  4612.04  168.963  418.407   24.401  416.142   29.902  422.921   42.214  4282.48  223.768  3241.60  426.227 1040.885 481.3955 
1 1 1   -8    4   50 o  662.589  107.145   7.8506   2.1471   10.072   2.7181   4.1643   3.5015  739.511  121.611  451.951  174.499 287.5594 212.6947 
1 1 1   -8    4   52 o  752.794  142.755   11.770   3.2419   11.936   5.0624   11.655   4.2209  626.225  214.439  672.195  191.353 -45.96924 287.4020 
1 1 1   -8    4   54 o  1212.26  130.841   32.366   4.8878   31.356   7.2663   33.200   6.6058  845.299  254.017  1010.47  215.363 -165.1661 333.0252 
1 1 1   -8    4   56 o  965.721  141.796   24.283   4.1601   33.395   6.2172   16.896   5.5979  875.950  225.372  490.155  208.478 385.7951 307.0104 
1 1 1   -8    4   58 o  888.907  374.595  231.409   17.801  241.857   25.351  221.249   25.000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    4   60 o  355.056  170.528   20.790   5.5111   0.0000   0.0000   20.790   5.5111  ?   ?   355.056  170.528 0.000000 170.5279 
1 1 1   -8    4   62 o  274.911  138.811   21.998   5.7136   0.0000   0.0000   21.998   5.7136  ?   ?   274.911  138.811 0.000000 138.8114 
1 1 1   -8    5    1 o  3113.81  102.926  152.332   10.035  151.764   12.301  153.462   17.353  3105.23  126.511  3109.38  178.991 -4.149170 219.1862 
1 1 1   -8    5    3 o  1303.33   96.699   26.821   3.9182   24.451   5.5654   29.151   5.5172  1236.90  146.546  1354.39  131.763 -117.4941 197.0721 
1 1 1   -8    5    5 o  1700.79   98.856   45.590   5.2420   50.033   7.4698   41.279   7.3580  1777.13  135.253  1611.27  147.474 165.8601 200.1048 
1 1 1   -8    5    7 o  2614.49   98.395  107.398   8.0552   98.469   13.979  111.838   9.8562  2486.71  180.759  2665.91  118.072 -179.2046 215.9049 
1 1 1   -8    5    9 o  724.395   81.874   8.3430   1.8245   6.5513   3.2070   9.2005   2.2186  631.493  161.535  759.239   95.429 -127.7455 187.6168 
1 1 1   -8    5   11 o  1145.47  100.030   20.798   3.5518   0.0000   0.0000   20.798   3.5518  ?   ?   1145.47  100.030 0.000000 100.0304 
1 1 1   -8    5   13 o  1405.67   98.600   31.259   4.3124   26.277   6.1174   36.180   6.0801  1277.48  156.184  1507.38  130.091 -229.9008 203.2659 
1 1 1   -8    5   15 o  2203.71  157.292   77.660   10.782   0.0000   0.0000   77.660   10.782  ?   ?   2203.71  157.292 0.000000 157.2921 
1 1 1   -8    5   19 o  547.997  138.195   4.9584   2.3709   0.0000   0.0000   4.9584   2.3709  ?   ?   547.997  138.195 0.000000 138.1949 
1 1 1   -8    5   21 o  443.723  111.333   3.2402   1.5443   1.9663   2.3226   4.2497   2.0675  391.657  144.074  507.328  129.662 -115.6705 193.8293 
1 1 1   -8    5   23 o  2481.97  116.903   98.050   9.0852   97.867   12.916   98.229   12.782  2452.57  169.221  2458.30  167.045 -5.726074 237.7807 
1 1 1   -8    5   25 o  2104.57  157.853   72.565   10.327   0.0000   0.0000   72.565   10.327  ?   ?   2104.57  157.853 0.000000 157.8526 
1 1 1   -8    5   27 o  682.243   86.599   7.5200   1.8083   6.2483   2.2544   9.8146   3.0283  611.795  121.961  767.908  130.620 -156.1130 178.7068 
1 1 1   -8    5   29 o  4265.64  135.488  299.013   18.097  297.236   22.181  302.550   31.297  4198.65  168.715  4069.77  246.756 128.8794 298.9204 
1 1 1   -8    5   31 o  1615.18   82.772   41.813   4.1722   43.096   5.1339   39.316   7.1598  1630.70  101.042  1525.16  151.945 105.5361 182.4742 
1 1 1   -8    5   33 o  1775.61  108.954   51.703   6.0284   43.515   8.5788   59.690   8.4732  1571.30  177.471  1875.99  145.380 -304.6869 229.4149 
1 1 1   -8    5   35 o  2197.77   93.535   78.720   6.4369   79.165   7.9019   77.843   11.097  2178.25  116.273  2086.75  171.352 91.50317 207.0777 
1 1 1   -8    5   37 o  1719.85   88.690   48.406   4.7599   47.535   5.8786   50.065   8.1111  1682.65  112.218  1675.48  156.414 7.164795 192.5053 
1 1 1   -8    5   39 f  2523.28   98.290  104.997   7.7659  105.938   9.5493  103.157   13.345  2500.65  121.956  2356.52  182.270 144.1296 219.3073 
1 1 1   -8    5   41 f  3014.21  108.986  151.522   10.286  156.605   12.639  141.551   17.703  3017.95  133.747  2690.92  211.809 327.0371 250.5022 
1 1 1   -8    5   43 o  2332.51  119.403   92.696   8.6915   92.696   8.6915   0.0000   0.0000  2332.51  119.403  ?   ?  0.000000 119.4026 
1 1 1   -8    5   45 o  2577.82  132.558  117.212   10.664  117.212   10.664   0.0000   0.0000  2577.82  132.558  ?   ?  0.000000 132.5581 
1 1 1   -8    5   47 o  375.249  136.133   2.3549   2.0633   2.3549   2.0633   0.0000   0.0000  375.249  136.133  ?   ?  0.000000 136.1329 
1 1 1   -8    5   49 o  793.670  125.822   11.502   3.0226   11.502   3.0226   0.0000   0.0000  793.670  125.822  ?   ?  0.000000 125.8216 
1 1 1   -8    5   51 o  917.999   98.685   14.943   2.7921   12.835   3.5017   18.622   4.6267  799.681  145.191  940.157  163.076 -140.4759 218.3445 
1 1 1   -8    5   53 o  1742.64   92.809   55.684   5.0460   60.710   6.2243   46.046   8.6189  1756.96  113.748  1182.50  240.951 574.4622 266.4506 
1 1 1   -8    5   55 o  2187.67  206.007  165.232   13.946  153.908   19.897  176.166   19.551  680.872  326.217  918.593  390.134 -237.7208 508.5491 
1 1 1   -8    5   59 o  425.600  213.614   91.191   12.455   0.0000   0.0000   91.191   12.455  ?   ?   425.600  213.614 0.000000 213.6138 
1 1 1   -8    5   61 o  638.258  225.595   39.813   5.6267   39.465   8.4906   40.086   7.5134  ?   ?   337.928  169.076 0.000000 169.0758 
1 1 1   -8    6    2 o  699.398   78.342   7.7722   1.6862   6.7754   2.0790   9.6885   2.8826  648.092  106.122  775.024  122.883 -126.9318 162.3638 
1 1 1   -8    6    4 o  2134.30   88.474   71.538   5.9128   70.416   7.2526   73.762   10.210  2112.90  110.002  2155.51  152.258 -42.61182 187.8377 
1 1 1   -8    6    6 o  2067.78   87.313   67.153   5.6533   66.092   6.9333   69.258   9.7652  2046.79  108.568  2088.26  150.348 -41.46716 185.4494 
1 1 1   -8    6    8 o  2624.03   93.371  108.226   7.6719  114.068   9.4119   96.660   13.243  2691.65  111.672  2462.37  172.859 229.2837 205.7934 
1 1 1   -8    6   10 o  2471.40   92.493   96.045   7.1577   97.736   8.7807   92.694   12.357  2490.46  112.598  2411.17  164.656 79.28345 199.4745 
1 1 1   -8    6   12 o  4106.52  155.069  267.720   19.940  273.564   28.204  261.880   28.194  4117.26  219.559  4025.37  224.576 91.89209 314.0714 
1 1 1   -8    6   14 o  1203.33   95.217   22.944   3.5584   21.463   5.0406   24.415   5.0242  1154.89  142.404  1235.03  131.961 -80.14038 194.1453 
1 1 1   -8    6   16 o  2882.90  124.329  131.527   11.223  132.809   15.880  130.248   15.865  2876.02  177.195  2847.39  178.844 28.62842 251.7599 
1 1 1   -8    6   18 o  600.695   99.996   5.8425   1.8147   5.4197   2.5602   6.2694   2.5727  572.737  143.153  616.541  136.834 -43.80334 198.0315 
1 1 1   -8    6   20 o  3098.80  129.921  152.653   12.606  154.379   17.836  150.930   17.821  3087.15  185.367  3051.21  187.430 35.93848 263.6118 
1 1 1   -8    6   22 o  1775.71  103.034   50.126   5.7043   53.421   8.0758   46.846   8.0583  1820.92  142.782  1700.90  152.937 120.0193 209.2285 
1 1 1   -8    6   24 o  1644.28  145.723   44.014   7.4250   0.0000   0.0000   44.014   7.4250  ?   ?   1644.28  145.723 0.000000 145.7228 
1 1 1   -8    6   26 o  648.215  103.694   6.8779   2.0338   6.0336   2.9500   7.6427   2.8076  595.354  156.269  674.626  137.573 -79.27130 208.1973 
1 1 1   -8    6   28 o  773.994  102.279   9.7764   2.4181   8.0085   3.4257   11.532   3.4137  680.368  162.952  829.908  136.081 -149.5399 212.3004 
1 1 1   -8    6   30 o  1443.22  101.057   33.708   4.5380   33.437   6.4249   33.978   6.4106  1412.04  147.489  1424.58  145.764 -12.54846 207.3650 
1 1 1   -8    6   32 o  1651.94  103.480   44.422   5.3256   42.632   7.5078   46.234   7.5555  1582.81  153.410  1653.68  147.460 -70.86951 212.7895 
1 1 1   -8    6   34 o  1345.87  100.402   29.705   4.2008   29.190   5.9304   30.223   5.9512  1300.49  148.284  1325.48  145.799 -24.98511 207.9556 
1 1 1   -8    6   36 o  2678.44  126.079  121.310   10.574  127.184   14.990  115.493   14.918  2633.59  182.911  2489.24  192.900 144.3430 265.8326 
1 1 1   -8    6   38 f  2964.84  134.887  150.734   12.522  154.979   17.736  146.515   17.683  2859.89  199.307  2765.14  205.698 94.74927 286.4174 
1 1 1   -8    6   40 o  2457.27  121.777  101.717   9.3699  101.505   13.292  101.927   13.211  2350.97  181.976  2359.22  180.192 -8.248535 256.0947 
1 1 1   -8    6   42 f  1699.38  105.056   48.110   5.5628   57.874   7.9316   38.658   7.8039  1822.98  140.021  1447.72  175.755 375.2555 224.7127 
1 1 1   -8    6   44 f  1792.20  110.140   54.356   6.1509   56.295   8.7404   52.454   8.6577  1751.97  161.132  1682.78  166.492 69.19141 231.6957 
1 1 1   -8    6   46 o  2236.20  188.456   99.168   13.073   99.168   13.073   0.0000   0.0000  2236.20  188.456  ?   ?  0.000000 188.4555 
1 1 1   -8    6   48 o  2108.75  186.741   90.454   12.203   90.454   12.203   0.0000   0.0000  2108.75  186.741  ?   ?  0.000000 186.7411 
1 1 1   -8    6   50 o  1050.93  168.793   22.747   5.3665   22.747   5.3665   0.0000   0.0000  1050.93  168.793  ?   ?  0.000000 168.7934 
1 1 1   -8    6   52 o  1502.73  197.490   57.352   9.0677   57.352   9.0677   0.0000   0.0000  1502.73  197.490  ?   ?  0.000000 197.4897 
1 1 1   -8    6   54 o  1430.15  123.143   43.874   5.4607   52.594   7.7200   35.142   7.7253  1357.18  186.596  869.087  262.086 488.0954 321.7256 
1 1 1   -8    6   56 o  898.391  275.531   51.327   8.4885   51.327   8.4885   0.0000   0.0000  898.391  275.531  ?   ?  0.000000 275.5310 
1 1 1   -8    6   58 o  766.556  346.147  213.176   17.673  164.504   25.156  260.608   24.834  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    6   60 o  1230.49  249.044  104.591   9.2663  128.503   13.573   83.719   12.681  432.687  217.915  ?   ?  0.000000 217.9151 
1 1 1   -8    6   62 f  598.801  241.474   62.488   6.9749   71.829   10.350   54.717   9.4407  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    7    1 f  4668.34  139.395  344.261   20.376  320.526   24.960  391.687   35.282  4492.17  177.446  4942.90  227.959 -450.7314 288.8811 
1 1 1   -8    7    3 o  2527.44   94.789  100.420   7.5017   99.194   9.1961  102.860   12.969  2509.27  117.041  2542.62  163.771 -33.34668 201.2949 
1 1 1   -8    7    5 o  2283.12  110.995   82.082   7.9350   81.308   11.227   82.854   11.216  2259.97  159.686  2281.87  157.949 -21.90381 224.6053 
1 1 1   -8    7    7 o  1805.94  102.762   51.492   5.7870   50.069   8.1906   52.911   8.1776  1772.52  148.954  1823.43  144.406 -50.90442 207.4619 
1 1 1   -8    7    9 o  1956.57  105.367   60.465   6.4315   59.585   9.0947   61.345   9.0964  1933.24  151.451  1962.27  149.162 -29.02722 212.5710 
1 1 1   -8    7   11 f  1892.83  104.395   56.620   6.1635   57.425   8.7250   55.818   8.7079  1897.48  148.020  1870.11  149.968 27.36829 210.7137 
1 1 1   -8    7   13 o  1728.73  101.538   47.250   5.4722   50.809   7.7485   43.708   7.7292  1785.34  139.719  1652.49  151.046 132.8538 205.7580 
1 1 1   -8    7   15 o  1437.61   97.966   32.714   4.3837   33.328   6.2092   32.104   6.1897  1443.24  139.122  1415.70  141.527 27.54431 198.4555 
1 1 1   -8    7   17 o  670.336   99.036   7.2363   2.0162   8.1739   2.8700   6.3228   2.8329  706.424  134.665  618.286  148.245 88.13818 200.2785 
1 1 1   -8    7   19 o  3369.09  136.112  180.596   14.359  188.419   20.319  172.791   20.295  3410.15  191.057  3260.12  199.770 150.0305 276.4252 
1 1 1   -8    7   21 o  1412.59   97.929   31.714   4.3048   32.300   6.0842   31.127   6.0916  1415.08  139.110  1388.00  142.167 27.07703 198.9043 
1 1 1   -8    7   23 o  1367.26  141.357   30.406   5.9644   0.0000   0.0000   30.406   5.9644  ?   ?   1367.26  141.357 0.000000 141.3571 
1 1 1   -8    7   25 o  1747.08  103.552   48.917   5.6396   48.002   7.9822   49.829   7.9689  1708.86  150.719  1743.07  147.386 -34.21069 210.8056 
1 1 1   -8    7   27 o  1561.71  101.440   39.246   4.9337   39.337   6.9965   39.155   6.9581  1541.24  146.748  1537.94  146.250 3.300415 207.1812 
1 1 1   -8    7   29 o  165.640   76.248  -0.6808   0.9119   0.5756   1.3507  -1.7332   1.2362  265.414  106.533  169.154   81.115 96.25984 133.8988 
1 1 1   -8    7   31 o  396.561  117.613   2.6132   1.5653   1.1515   2.2042   4.1005   2.2234  343.023  136.633  490.160  138.653 -147.1371 194.6617 
1 1 1   -8    7   33 o  2131.01  112.241   74.682   7.4631   78.561   10.581   70.841   10.528  2134.89  159.435  2016.45  168.277 118.4377 231.8121 
1 1 1   -8    7   35 o  2860.73  130.951  138.268   11.730  141.007   16.599  135.536   16.579  2769.89  192.584  2706.34  196.988 63.54858 275.4862 
1 1 1   -8    7   37 o  2080.39  113.451   72.206   7.3625   72.992   10.423   71.423   10.401  2022.71  166.038  1998.21  167.785 24.50293 236.0519 
1 1 1   -8    7   39 o  3586.81  153.823  224.117   17.276  221.560   24.444  226.668   24.421  3345.79  234.808  3395.25  231.078 -49.45898 329.4412 
1 1 1   -8    7   41 o  1829.84  109.910   55.764   6.2683   50.167   8.8982   61.277   8.8315  1663.84  173.339  1868.40  152.280 -204.5552 230.7287 
1 1 1   -8    7   43 o  997.131  104.953   16.701   3.2277   15.663   4.6132   17.696   4.5177  921.288  166.022  993.879  149.818 -72.59039 223.6268 
1 1 1   -8    7   45 o  2795.05  132.672  136.784   11.611  143.836   16.459  129.797   16.383  2700.23  196.005  2531.13  208.567 169.0996 286.2138 
1 1 1   -8    7   47 o  1691.94  169.357   54.864   8.8518   54.864   8.8518   0.0000   0.0000  1691.94  169.357  ?   ?  0.000000 169.3566 
1 1 1   -8    7   49 o  3152.52  372.229  353.164   36.035  353.164   36.035   0.0000   0.0000  3152.52  372.229  ?   ?  0.000000 372.2294 
1 1 1   -8    7   51 o  1542.92  183.621   54.134   8.6970   54.134   8.6970   0.0000   0.0000  1542.92  183.621  ?   ?  0.000000 183.6209 
1 1 1   -8    7   53 o  972.925  196.191   26.266   5.7706   26.266   5.7706   0.0000   0.0000  972.925  196.191  ?   ?  0.000000 196.1914 
1 1 1   -8    7   55 o  ?   ?   290.760   30.509  290.760   30.509   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    7   57 o  1052.69  423.698  289.885   21.429  311.854   30.325  267.973   30.286  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    7   59 f  647.937  310.507  235.464   18.049  245.809   25.540  225.141   25.511  ?   ?   ?   ?  0.000000      ? 
1 1 1   -8    7   61 o  250.814  124.170   5.4346   3.6350   0.0000   0.0000   5.4346   3.6350  ?   ?   250.814  124.170 0.000000 124.1701 
1 1 1   -8    8    2 o  2265.08  158.806   81.737   11.192   81.737   11.192   0.0000   0.0000  2265.08  158.806  ?   ?  0.000000 158.8061 
1 1 1   -8    8    4 o  3564.72  202.124  203.718   22.468  203.718   22.468   0.0000   0.0000  3564.72  202.124  ?   ?  0.000000 202.1245 
1 1 1   -8    8    6 o  3299.18  133.410  172.014   13.782  156.444   19.484  187.605   19.497  3122.13  200.358  3427.04  182.350 -304.9072 270.9145 
1 1 1   -8    8    8 o  2419.22  163.523   93.384   12.314   93.384   12.314   0.0000   0.0000  2419.22  163.523  ?   ?  0.000000 163.5234 
1 1 1   -8    8   10 o  504.980  104.762   4.1651   1.6022   3.9120   2.3146   4.3981   2.2201  491.824  142.230  517.863  135.389 -26.03900 196.3655 
1 1 1   -8    8   12 o  1897.59  103.471   56.906   6.1248   60.873   8.6904   52.991   8.6335  1954.74  142.974  1820.78  152.844 133.9613 209.2911 
1 1 1   -8    8   14 o  472.387  106.630   3.6583   1.5398   3.2551   2.1488   4.0839   2.2076  452.675  138.596  499.807  136.988 -47.13177 194.8704 
1 1 1   -8    8   16 o  2606.87  170.103  109.079   13.809  109.079   13.809   0.0000   0.0000  2606.87  170.103  ?   ?  0.000000 170.1027 
1 1 1   -8    8   18 o  2724.97  174.438  119.733   14.806  119.733   14.806   0.0000   0.0000  2724.97  174.438  ?   ?  0.000000 174.4376 
1 1 1   -8    8   20 o  2178.23  109.603   75.426   7.4516   81.120   10.559   69.777   10.517  2244.13  151.149  2075.76  163.125 168.3723 222.3865 
1 1 1   -8    8   22 o  1465.23  142.762   34.868   6.4667   0.0000   0.0000   34.868   6.4667  ?   ?   1465.23  142.762 0.000000 142.7616 
1 1 1   -8    8   24 o  2149.11  110.437   74.067   7.4066   71.231   10.472   76.906   10.477  2079.34  162.117  2165.17  155.577 -85.83276 224.6906 
1 1 1   -8    8   26 o  1127.81   97.441   20.461   3.4073   18.881   4.8088   22.055   4.8285  1064.57  148.287  1157.21  135.838 -92.63538 201.0991 
1 1 1   -8    8   28 o  1292.00   99.034   26.901   3.9760   25.012   5.6219   28.792   5.6239  1223.43  149.887  1319.69  138.143 -96.26074 203.8372 
1 1 1   -8    8   30 o  4495.01  176.477  344.222   24.839  343.477   35.142  344.966   35.113  4278.30  263.611  4290.14  262.650 -11.84229 372.1237 
1 1 1   -8    8   32 o  2607.45  122.309  111.952   9.9860  112.899   14.133  111.007   14.112  2544.52  178.510  2520.97  179.956 23.55225 253.4757 
1 1 1   -8    8   34 f  760.244  108.159   9.6519   2.5021   9.9652   3.5943   9.3574   3.4853  748.112  158.373  724.533  158.074 23.57849 223.7617 
1 1 1   -8    8   36 o  1014.16  101.454   16.993   3.1785   15.115   4.4741   18.907   4.5165  921.014  161.001  1045.76  141.566 -124.7497 214.3877 
1 1 1   -8    8   38 o  740.275  107.706   9.1727   2.4234   10.148   3.4342   8.2050   3.4203  758.282  149.949  673.318  163.794 84.96375 222.0655 
1 1 1   -8    8   40 o  5166.80  218.182  508.891   35.299  493.544   49.933  524.222   49.906  4446.33  361.787  4664.15  344.148 -217.8174 499.3269 
1 1 1   -8    8   42 o  928.669  106.187   14.441   3.0323   14.764   4.3033   14.122   4.2735  906.197  157.366  883.736  160.338 22.46075 224.6604 
1 1 1   -8    8   44 o  2618.19  127.594  117.884   10.460  116.935   14.798  118.832   14.788  2466.06  193.186  2491.03  191.049 -24.97534 271.6999 
1 1 1   -8    8   46 o  1541.04  107.898   40.315   5.1736   41.102   7.3276   39.533   7.3056  1490.51  159.479  1456.89  162.935 33.61462 227.9943 
1 1 1   -8    8   48 o  1248.60  163.969   29.970   6.2557   29.970   6.2557   0.0000   0.0000  1248.60  163.969  ?   ?  0.000000 163.9688 
1 1 1   -8    8   50 o  624.112  182.026   8.7857   3.7767   8.7857   3.7767   0.0000   0.0000  624.112  182.026  ?   ?  0.000000 182.0256 
1 1 1   -8    8   52 o  248.200  115.800  -0.8022   2.2127  -0.8022   2.2127   0.0000   0.0000  248.200  115.800  ?   ?  0.000000 115.7999 
1 1 1   -8    8   54 o  954.125  211.318   29.724   6.1469   29.724   6.1469   0.0000   0.0000  954.125  211.318  ?   ?  0.000000 211.3182 
1 1 1   -8    8   56 o  575.807  199.407   14.801   4.3829   14.801   4.3829   0.0000   0.0000  575.807  199.407  ?   ?  0.000000 199.4074 
1 1 1   -8    8   58 o  486.022  243.604  129.197   15.920  129.197   15.920   0.0000   0.0000  486.022  243.604  ?   ?  0.000000 243.6037 
1 1 1   -8    8   60 o  1154.34  237.867   84.027   8.3118   92.810   11.740   75.202   11.769  428.553  213.958  ?   ?  0.000000 213.9582 
1 1 1   -8    9    1 o  5311.02  189.074  449.814   31.443  463.320   44.471  436.311   44.464  5342.82  265.819  5171.53  275.578 171.2896 382.8876 
1 1 1   -8    9    3 o  1008.80  138.619   16.384   4.2630   16.384   4.2630   0.0000   0.0000  1008.80  138.619  ?   ?  0.000000 138.6190 
1 1 1   -8    9    5 o  1181.45  138.058   22.363   5.0110   22.363   5.0110   0.0000   0.0000  1181.45  138.058  ?   ?  0.000000 138.0582 
1 1 1   -8    9    7 o  1611.76  143.131   41.433   7.1484   41.433   7.1484   0.0000   0.0000  1611.76  143.131  ?   ?  0.000000 143.1310 
1 1 1   -8    9    9 o  1719.06  145.245   47.135   7.7451   47.135   7.7451   0.0000   0.0000  1719.06  145.245  ?   ?  0.000000 145.2452 
1 1 1   -8    9   11 o  584.349  143.947   5.6245   2.6166   5.6245   2.6166   0.0000   0.0000  584.349  143.947  ?   ?  0.000000 143.9469 
1 1 1   -8    9   13 o  3001.85  127.376  142.559   11.973  137.219   16.938  147.891   16.926  2922.46  186.064  3037.31  178.758 -114.8506 258.0204 
1 1 1   -8    9   15 o  1377.19  140.884   30.423   5.9899   30.423   5.9899   0.0000   0.0000  1377.19  140.884  ?   ?  0.000000 140.8843 
1 1 1   -8    9   17 o  2163.31  109.867   74.214   7.4178   76.020   10.497   72.412   10.484  2176.01  155.075  2122.15  158.922 53.85986 222.0464 
1 1 1   -8    9   19 o  1253.51   97.159   24.995   3.7837   27.289   5.3763   22.743   5.3261  1301.27  133.855  1183.17  146.925 118.0996 198.7568 
1 1 1   -8    9   21 o  2773.64  178.331  126.142   15.406   0.0000   0.0000  126.142   15.406  ?   ?   2773.64  178.331 0.000000 178.3308 
1 1 1   -8    9   23 o  1111.20   97.215   19.785   3.3485   21.953   4.7651   17.670   4.7065  1159.67  133.673  1033.35  149.826 126.3175 200.7893 
1 1 1   -8    9   25 o  2185.70  111.784   76.846   7.6249   77.288   10.793   76.406   10.774  2161.75  160.592  2148.83  161.295 12.92603 227.6094 
1 1 1   -8    9   27 o  1007.72   98.249   16.386   3.0607   16.799   4.2915   15.958   4.3664  1005.62  140.095  976.826  147.336 28.79059 203.3089 
1 1 1   -8    9   29 o  1741.15  104.275   48.967   5.6589   46.154   7.9944   51.792   8.0113  1659.45  155.672  1765.21  146.258 -105.7650 213.6006 
1 1 1   -8    9   31 o  874.545  100.035   12.497   2.6901   10.904   3.7875   14.119   3.8214  792.265  158.214  914.257  137.764 -121.9919 209.7876 
1 1 1   -8    9   33 o  1468.30  101.975   35.245   4.6593   38.022   6.6662   32.592   6.5150  1494.68  144.225  1375.54  153.898 119.1411 210.9155 
1 1 1   -8    9   35 o  1276.04  103.839   26.775   4.1130   21.853   5.8866   31.471   5.7492  1104.38  176.144  1361.06  136.751 -256.6854 222.9969 
1 1 1   -8    9   37 o  1079.62  103.571   19.186   3.4583   18.013   4.9506   20.303   4.8331  1012.05  161.661  1086.14  145.791 -74.08862 217.6909 
1 1 1   -8    9   39 o  2152.59  114.187   76.640   7.6690   75.356   10.861   77.916   10.830  2070.33  169.014  2110.42  165.208 -40.09058 236.3457 
1 1 1   -8    9   41 o  2173.22  115.278   78.688   7.8165   71.662   11.053   85.717   11.055  1991.38  179.180  2206.64  161.115 -215.2590 240.9637 
1 1 1   -8    9   43 o  942.314  107.448   14.922   3.1137   15.582   4.4176   14.269   4.3893  929.204  157.454  882.938  164.826 46.26611 227.9459 
1 1 1   -8    9   45 o  1406.38  105.619   33.247   4.6172   33.516   6.5071   32.975   6.5526  1359.93  155.611  1345.41  158.588 14.52368 222.1824 
1 1 1   -8    9   47 o  945.620  109.576   15.359   3.1844   14.808   4.4783   15.922   4.5289  878.492  168.938  916.626  163.803 -38.13422 235.3115 
1 1 1   -8    9   49 o  492.209  167.445   4.9481   3.0865   4.9481   3.0865   0.0000   0.0000  492.209  167.445  ?   ?  0.000000 167.4455 
1 1 1   -8    9   51 o  566.811  180.894   7.9597   3.6222   7.9597   3.6222   0.0000   0.0000  566.811  180.894  ?   ?  0.000000 180.8940 
1 1 1   -8    9   53 o  1259.07  220.508   49.190   8.3767   49.190   8.3767   0.0000   0.0000  1259.07  220.508  ?   ?  0.000000 220.5084 
1 1 1   -8    9   55 o  1164.43  326.181   91.236   12.367   91.236   12.367   0.0000   0.0000  1164.43  326.181  ?   ?  0.000000 326.1812 
1 1 1   -8    9   57 o  781.080  305.237   75.259   10.814   75.259   10.814   0.0000   0.0000  781.080  305.237  ?   ?  0.000000 305.2375 
1 1 1   -8    9   59 o  310.842  141.509   5.1256   3.0273   5.1256   3.0273   0.0000   0.0000  310.842  141.509  ?   ?  0.000000 141.5088 
1 1 1   -8    9   61 o  188.999   94.529  -0.9281   2.3393  -0.9281   2.3393   0.0000   0.0000  188.999   94.529  ?   ?  0.000000 94.52930 
1 1 1   -8   10    2 o  1677.94  101.678   44.479   5.3170   40.834   7.5104   48.141   7.5285  1598.40  151.883  1739.27  139.408 -140.8722 206.1626 
1 1 1   -8   10    4 o  4474.69  164.116  317.946   22.995  291.401   32.507  344.532   32.532  4240.53  245.872  4629.83  224.406 -389.3003 332.8823 
1 1 1   -8   10    6 o  2160.29  156.655   74.408   10.525   74.408   10.525   0.0000   0.0000  2160.29  156.655  ?   ?  0.000000 156.6546 
1 1 1   -8   10    8 o  959.770   96.607   14.642   2.8638   16.365   4.0442   12.909   4.0560  1009.30  131.059  890.510  150.846 118.7864 199.8273 
1 1 1   -8   10   10 o  782.890  141.956   10.003   3.3518   10.003   3.3518   0.0000   0.0000  782.890  141.956  ?   ?  0.000000 141.9555 
1 1 1   -8   10   12 o  1364.26  139.560   29.808   5.8778   29.808   5.8778   0.0000   0.0000  1364.26  139.560  ?   ?  0.000000 139.5596 
1 1 1   -8   10   14 o  1181.57  139.628   22.468   5.0661   22.468   5.0661   0.0000   0.0000  1181.57  139.628  ?   ?  0.000000 139.6283 
1 1 1   -8   10   16 o  2038.96  154.484   66.832   9.7897   66.832   9.7897   0.0000   0.0000  2038.96  154.484  ?   ?  0.000000 154.4836 
1 1 1   -8   10   18 o  1728.85  148.352   48.250   7.9532   48.250   7.9532   0.0000   0.0000  1728.85  148.352  ?   ?  0.000000 148.3520 
1 1 1   -8   10   20 o  2389.67  166.186   93.139   12.358   93.139   12.358   0.0000   0.0000  2389.67  166.186  ?   ?  0.000000 166.1857 
1 1 1   -8   10   22 f  2038.38  108.510   66.476   6.9009   69.494   9.7731   63.475   9.7456  2063.16  152.358  1967.44  159.569 95.72266 220.6247 
1 1 1   -8   10   24 o  2375.04  167.490   93.289   12.376   93.289   12.376   0.0000   0.0000  2375.04  167.490  ?   ?  0.000000 167.4898 
1 1 1   -8   10   26 o  333.771  114.539   1.6529   1.4445   0.4980   2.1933   2.5374   1.9195  319.943  132.915  402.003  131.961 -82.06046 187.2968 
1 1 1   -8   10   30 o  2049.08  110.237   68.245   7.0470   69.545   9.9601   66.942   9.9717  2030.09  157.929  1988.24  161.569 41.84949 225.9343 
1 1 1   -8   10   32 o  1910.90  108.680   59.689   6.4760   62.141   9.1875   57.269   9.1297  1909.16  155.026  1826.33  161.305 82.82910 223.7238 
1 1 1   -8   10   34 o  675.483  114.896   7.6703   2.3431   6.3028   3.4311   8.8655   3.2076  593.302  173.627  712.804  148.532 -119.5010 228.4906 
1 1 1   -8   10   36 o  2020.03  111.438   66.946   7.0214   65.907   9.9631   67.971   9.8967  1952.93  164.456  1987.99  160.350 -35.05115 229.6913 
1 1 1   -8   10   38 o  948.893  105.612   14.839   3.0847   15.362   4.4334   14.349   4.2949  939.482  156.189  906.928  156.918 32.55396 221.4005 
1 1 1   -8   10   40 f  2045.92  112.534   69.161   7.1815   69.924   10.189   68.408   10.124  1999.59  164.183  1976.58  165.082 23.00952 232.8259 
1 1 1   -8   10   42 o  1012.00  103.937   17.018   3.2468   16.114   4.5673   17.942   4.6164  949.560  159.249  1009.09  150.722 -59.53284 219.2656 
1 1 1   -8   10   44 o  2324.91  119.649   91.493   8.6808   84.905   12.255   98.129   12.298  2131.41  185.470  2320.98  170.413 -189.5659 251.8719 
1 1 1   -8   10   46 f  1736.70  110.140   51.023   5.9585   49.058   8.4061   53.008   8.4471  1626.73  167.422  1701.86  160.406 -75.13733 231.8622 
1 1 1   -8   10   48 o  760.208  173.087   11.561   4.0278   11.561   4.0278   0.0000   0.0000  760.208  173.087  ?   ?  0.000000 173.0875 
1 1 1   -8   10   50 o  1172.27  174.536   29.608   6.2112   29.608   6.2112   0.0000   0.0000  1172.27  174.536  ?   ?  0.000000 174.5362 
1 1 1   -8   10   52 o  1072.76  195.674   30.119   6.3306   30.119   6.3306   0.0000   0.0000  1072.76  195.674  ?   ?  0.000000 195.6738 
1 1 1   -8   10   54 o  1251.27  244.854   58.737   9.2499   58.737   9.2499   0.0000   0.0000  1251.27  244.854  ?   ?  0.000000 244.8541 
1 1 1   -8   10   56 o  694.232  227.009   23.768   5.6824   23.768   5.6824   0.0000   0.0000  694.232  227.009  ?   ?  0.000000 227.0087 
1 1 1   -8   10   58 o  545.612  213.777   21.394   5.3148   21.394   5.3148   0.0000   0.0000  545.612  213.777  ?   ?  0.000000 213.7775 
1 1 1   -8   10   60 o  406.945  181.836   17.407   4.7363   17.407   4.7363   0.0000   0.0000  406.945  181.836  ?   ?  0.000000 181.8364 
1 1 1   -8   11    1 o  4627.28  167.198  340.476   24.226  384.800   34.280  296.255   34.240  4889.46  223.906  4264.53  257.627 624.9253 341.3294 
1 1 1   -8   11    3 o  4118.55  155.067  269.135   19.998  251.903   28.269  286.398   28.293  3947.32  229.703  4217.87  214.941 -270.5476 314.5837 
1 1 1   -8   11    5 o  2009.51  153.439   64.425   9.5818   0.0000   0.0000   64.425   9.5818  ?   ?   2009.51  153.439 0.000000 153.4387 
1 1 1   -8   11    7 o  1832.84  104.380   53.101   5.9657   55.514   8.4351   50.686   8.4384  1865.93  145.520  1780.75  152.815 85.18433 211.0180 
1 1 1   -8   11    9 o  382.062  113.540   2.3334   1.4577   1.4322   2.0362   3.2808   2.0878  354.224  133.973  453.026  136.165 -98.80246 191.0224 
1 1 1   -8   11   11 o  2595.75  169.981  108.043   13.740   0.0000   0.0000  108.043   13.740  ?   ?   2595.75  169.981 0.000000 169.9813 
1 1 1   -8   11   13 o  2344.38  162.607   88.269   11.863   88.269   11.863   0.0000   0.0000  2344.38  162.607  ?   ?  0.000000 162.6067 
1 1 1   -8   11   15 o  3268.70  194.197  173.778   19.787  173.778   19.787   0.0000   0.0000  3268.70  194.197  ?   ?  0.000000 194.1969 
1 1 1   -8   11   17 o  2545.95  170.052  105.231   13.479  105.231   13.479   0.0000   0.0000  2545.95  170.052  ?   ?  0.000000 170.0517 
1 1 1   -8   11   19 o  710.746  151.438   8.4419   3.2671   8.4419   3.2671   0.0000   0.0000  710.746  151.438  ?   ?  0.000000 151.4377 
1 1 1   -8   11   21 f  1391.14  144.686   31.584   6.2103   31.584   6.2103   0.0000   0.0000  1391.14  144.686  ?   ?  0.000000 144.6857 
1 1 1   -8   11   23 o  2032.90  156.923   67.783   9.9116   67.783   9.9116   0.0000   0.0000  2032.90  156.923  ?   ?  0.000000 156.9233 
1 1 1   -8   11   25 o  1571.68  147.799   40.608   7.1882   40.608   7.1882   0.0000   0.0000  1571.68  147.799  ?   ?  0.000000 147.7986 
1 1 1   -8   11   27 o  1453.54  148.094   35.003   6.6462   35.003   6.6462   0.0000   0.0000  1453.54  148.094  ?   ?  0.000000 148.0939 
1 1 1   -8   11   29 o  1739.25  153.072   50.677   8.2514   50.677   8.2514   0.0000   0.0000  1739.25  153.072  ?   ?  0.000000 153.0722 
1 1 1   -8   11   31 o  327.395  133.732   0.8107   2.1713   0.8107   2.1713   0.0000   0.0000  327.395  133.732  ?   ?  0.000000 133.7318 
1 1 1   -8   11   33 o  1594.54  153.214   43.211   7.5556   43.211   7.5556   0.0000   0.0000  1594.54  153.214  ?   ?  0.000000 153.2138 
1 1 1   -8   11   35 o  1922.30  160.745   63.020   9.5868   63.020   9.5868   0.0000   0.0000  1922.30  160.745  ?   ?  0.000000 160.7453 
1 1 1   -8   11   37 o  1304.54  150.367   28.938   6.0298   28.938   6.0298   0.0000   0.0000  1304.54  150.367  ?   ?  0.000000 150.3668 
1 1 1   -8   11   41 o  1226.10  156.685   26.298   5.8779   26.298   5.8779   0.0000   0.0000  1226.10  156.685  ?   ?  0.000000 156.6853 
1 1 1   -8   11   43 o  1195.25  158.393   25.378   5.7820   25.378   5.7820   0.0000   0.0000  1195.25  158.393  ?   ?  0.000000 158.3925 
1 1 1   -8   11   45 o  1743.78  162.368   54.911   8.7637   54.911   8.7637   0.0000   0.0000  1743.78  162.368  ?   ?  0.000000 162.3676 
1 1 1   -8   11   47 o  379.109  146.398   2.1285   2.4649   2.1285   2.4649   0.0000   0.0000  379.109  146.398  ?   ?  0.000000 146.3984 
1 1 1   -8   11   49 o  1533.30  173.947   48.657   8.2036   48.657   8.2036   0.0000   0.0000  1533.30  173.947  ?   ?  0.000000 173.9469 
1 1 1   -8   11   51 o  270.761  123.269  -0.1864   2.2976  -0.1864   2.2976   0.0000   0.0000  270.761  123.269  ?   ?  0.000000 123.2688 
1 1 1   -8   11   53 o  1399.48  227.682   62.579   9.6343   62.579   9.6343   0.0000   0.0000  1399.48  227.682  ?   ?  0.000000 227.6817 
1 1 1   -8   11   55 o  904.341  228.766   31.804   6.4827   31.804   6.4827   0.0000   0.0000  904.341  228.766  ?   ?  0.000000 228.7660 
1 1 1   -8   11   57 o  833.627  292.724   60.325   9.4605   60.325   9.4605   0.0000   0.0000  833.627  292.724  ?   ?  0.000000 292.7241 
1 1 1   -8   12    2 o  1284.37   97.766   26.131   3.9023   29.801   5.5430   22.524   5.4947  1366.14  131.191  1181.54  152.047 184.6052 200.8222 
1 1 1   -8   12    4 o  1594.62  144.486   40.658   7.1360   0.0000   0.0000   40.658   7.1360  ?   ?   1594.62  144.486 0.000000 144.4855 
1 1 1   -8   12    6 o  2230.29  111.236   78.516   7.7682   77.560   10.975   79.477   10.997  2201.51  160.308  2229.21  158.581 -27.69824 225.4920 
1 1 1   -8   12    8 o  1912.49  105.519   57.889   6.2945   53.853   8.8844   61.957   8.9193  1832.48  156.331  1969.37  145.673 -136.8929 213.6821 
1 1 1   -8   12   10 o  1254.45   99.069   24.977   3.8597   27.155   5.4365   22.763   5.4807  1300.97  135.441  1186.27  150.970 114.7000 202.8202 
1 1 1   -8   12   12 o  2264.65  160.824   82.504   11.330   82.504   11.330   0.0000   0.0000  2264.65  160.824  ?   ?  0.000000 160.8235 
1 1 1   -8   12   14 o  1040.46   97.994   17.260   3.1550   18.309   4.4490   16.198   4.4747  1063.16  136.817  996.133  147.955 67.02734 201.5185 
1 1 1   -8   12   16 o  1642.29  101.508   42.888   5.1944   38.773   7.3215   47.059   7.3707  1545.81  153.281  1709.42  138.904 -163.6042 206.8557 
1 1 1   -8   12   18 o  1316.52   99.251   27.638   4.0614   26.983   5.7547   28.288   5.7327  1287.51  145.282  1320.12  140.861 -32.60657 202.3579 
1 1 1   -8   12   20 o  1738.78  149.853   49.205   8.0791   0.0000   0.0000   49.205   8.0791  ?   ?   1738.78  149.853 0.000000 149.8533 
1 1 1   -8   12   22 o  1641.98  103.031   43.086   5.2704   43.240   7.4712   42.933   7.4359  1627.55  148.227  1621.78  148.061 5.767822 209.5067 
1 1 1   -8   12   24 o  1264.65  145.195   26.286   5.6454   26.286   5.6454   0.0000   0.0000  1264.65  145.195  ?   ?  0.000000 145.1953 
1 1 1   -8   12   26 o  4406.88  257.722  347.108   35.408  347.108   35.408   0.0000   0.0000  4406.88  257.722  ?   ?  0.000000 257.7222 
1 1 1   -8   12   28 o  2650.55  180.095  119.381   14.858  119.381   14.858   0.0000   0.0000  2650.55  180.095  ?   ?  0.000000 180.0950 
1 1 1   -8   12   30 o  309.586  127.892   0.5725   2.0143   0.5725   2.0143   0.0000   0.0000  309.586  127.892  ?   ?  0.000000 127.8916 
1 1 1   -8   12   32 o  455.430  156.571   3.2831   2.6997   3.2831   2.6997   0.0000   0.0000  455.430  156.571  ?   ?  0.000000 156.5713 
1 1 1   -8   12   34 o  585.812  165.414   5.9706   3.1674   5.9706   3.1674   0.0000   0.0000  585.812  165.414  ?   ?  0.000000 165.4143 
1 1 1   -8   12   36 o  824.909  161.270   11.791   4.0163   11.791   4.0163   0.0000   0.0000  824.909  161.270  ?   ?  0.000000 161.2702 
1 1 1   -8   12   38 o  1864.27  160.050   59.350   9.2523   59.350   9.2523   0.0000   0.0000  1864.27  160.050  ?   ?  0.000000 160.0496 
1 1 1   -8   12   40 o  1702.31  158.231   50.010   8.3377   50.010   8.3377   0.0000   0.0000  1702.31  158.231  ?   ?  0.000000 158.2312 
1 1 1   -8   12   44 f  342.597  144.654   0.6701   2.6627   0.6701   2.6627   0.0000   0.0000  342.597  144.654  ?   ?  0.000000 144.6535 
1 1 1   -8   12   46 o  967.774  165.823   17.437   4.8442   17.437   4.8442   0.0000   0.0000  967.774  165.823  ?   ?  0.000000 165.8229 
1 1 1   -8   12   48 o  1056.99  166.920   22.079   5.3411   22.079   5.3411   0.0000   0.0000  1056.99  166.920  ?   ?  0.000000 166.9202 
1 1 1   -8   12   50 o  926.320  180.186   19.291   5.0382   19.291   5.0382   0.0000   0.0000  926.320  180.186  ?   ?  0.000000 180.1860 
1 1 1   -8   12   52 o  1357.26  200.896   49.266   8.2800   49.266   8.2800   0.0000   0.0000  1357.26  200.896  ?   ?  0.000000 200.8961 
1 1 1   -8   12   54 o  772.208  204.729   19.241   5.0306   19.241   5.0306   0.0000   0.0000  772.208  204.729  ?   ?  0.000000 204.7286 
1 1 1   -8   12   56 o  339.639  150.143   3.7432   3.1428   3.7432   3.1428   0.0000   0.0000  339.639  150.143  ?   ?  0.000000 150.1427 
1 1 1   -8   13    1 o  2424.72  115.235   92.984   8.7491   95.338   12.394   90.646   12.352  2437.75  163.319  2375.40  167.132 62.35522 233.6797 
1 1 1   -8   13    3 o  1512.87   99.186   36.253   4.6726   44.075   6.6615   28.677   6.5559  1662.54  128.973  1331.37  160.494 331.1632 205.8942 
1 1 1   -8   13    5 o  928.951   97.332   13.756   2.7891   19.467   3.9918   8.3070   3.8987  1103.17  117.362  706.300  176.719 396.8653 212.1407 
1 1 1   -8   13    7 o  793.915  103.305   10.117   2.5073   8.7393   3.6112   11.399   3.4839  725.477  162.949  836.323  137.841 -110.8460 213.4303 
1 1 1   -8   13    9 o  515.584  153.762   4.3043   2.6700   0.0000   0.0000   4.3043   2.6700  ?   ?   515.584  153.762 0.000000 153.7621 
1 1 1   -8   13   11 o  1274.86  142.899   26.243   5.6062   26.243   5.6062   0.0000   0.0000  1274.86  142.899  ?   ?  0.000000 142.8991 
1 1 1   -8   13   13 o  982.335  143.817   15.739   4.2927   15.739   4.2927   0.0000   0.0000  982.335  143.817  ?   ?  0.000000 143.8167 
1 1 1   -8   13   15 o  1490.11  145.881   35.933   6.7194   0.0000   0.0000   35.933   6.7194  ?   ?   1490.11  145.881 0.000000 145.8813 
1 1 1   -8   13   17 o  1553.90  145.619   39.122   7.0026   39.122   7.0026   0.0000   0.0000  1553.90  145.619  ?   ?  0.000000 145.6188 
1 1 1   -8   13   19 o  845.859  150.082   11.856   3.8295   0.0000   0.0000   11.856   3.8295  ?   ?   845.859  150.082 0.000000 150.0824 
1 1 1   -8   13   21 o  785.010  154.497   10.307   3.6624   10.307   3.6624   0.0000   0.0000  785.010  154.497  ?   ?  0.000000 154.4974 
1 1 1   -8   13   23 o  2186.66  112.802   76.664   7.6972   78.482   10.856   74.827   10.915  2187.10  159.627  2132.15  164.766 54.94312 229.4091 
1 1 1   -8   13   25 o  2134.82  111.968   73.311   7.4586   71.254   10.506   75.402   10.591  2073.93  163.096  2136.29  159.473 -62.36157 228.1054 
1 1 1   -8   13   27 o  2195.82  113.540   77.940   7.7799   76.579   10.972   79.315   11.033  2139.70  165.038  2179.58  162.840 -39.88623 231.8501 
1 1 1   -8   13   29 o  1572.53  150.761   41.254   7.3324   41.254   7.3324   0.0000   0.0000  1572.53  150.761  ?   ?  0.000000 150.7611 
1 1 1   -8   13   31 o  1219.92  102.026   24.073   3.8615   19.202   5.3910   29.204   5.5337  1059.64  168.091  1329.34  134.806 -269.7056 215.4698 
1 1 1   -8   13   33 o  1353.41  103.817   29.610   4.3661   26.728   6.1102   32.618   6.2411  1259.59  158.425  1401.02  144.332 -141.4313 214.3130 
1 1 1   -8   13   35 o  793.358  164.772   10.883   3.9594   10.883   3.9594   0.0000   0.0000  793.358  164.772  ?   ?  0.000000 164.7722 
1 1 1   -8   13   37 o  1411.47  151.929   33.615   6.6090   33.615   6.6090   0.0000   0.0000  1411.47  151.929  ?   ?  0.000000 151.9287 
1 1 1   -8   13   39 o  869.373  163.480   13.217   4.2869   13.217   4.2869   0.0000   0.0000  869.373  163.480  ?   ?  0.000000 163.4798 
1 1 1   -8   13   41 o  946.215  163.402   15.751   4.6663   15.751   4.6663   0.0000   0.0000  946.215  163.402  ?   ?  0.000000 163.4021 
1 1 1   -8   13   43 o  2746.55  195.857  138.205   16.734  138.205   16.734   0.0000   0.0000  2746.55  195.857  ?   ?  0.000000 195.8575 
1 1 1   -8   13   45 o  1079.63  165.365   21.256   5.4123   21.256   5.4123   0.0000   0.0000  1079.63  165.365  ?   ?  0.000000 165.3655 
1 1 1   -8   13   47 o  1744.99  174.239   59.342   9.3931   59.342   9.3931   0.0000   0.0000  1744.99  174.239  ?   ?  0.000000 174.2392 
1 1 1   -8   13   49 o  1665.24  182.979   60.119   9.3837   60.119   9.3837   0.0000   0.0000  1665.24  182.979  ?   ?  0.000000 182.9790 
1 1 1   -8   13   51 o  369.080  151.014   2.6205   2.7747   2.6205   2.7747   0.0000   0.0000  369.080  151.014  ?   ?  0.000000 151.0139 
1 1 1   -8   13   53 o  423.339  164.448   4.8911   3.1244   4.8911   3.1244   0.0000   0.0000  423.339  164.448  ?   ?  0.000000 164.4483 
1 1 1   -8   13   55 o  1120.19  248.537   50.479   8.4897   50.479   8.4897   0.0000   0.0000  1120.19  248.537  ?   ?  0.000000 248.5366 
1 1 1   -8   14    2 o  470.922  168.628   3.0591   3.1536   3.0591   3.1536   0.0000   0.0000  470.922  168.628  ?   ?  0.000000 168.6279 
1 1 1   -8   14    4 o  1944.21  104.013   59.905   6.3092   72.018   9.0493   48.448   8.8009  2123.24  136.841  1731.58  164.285 391.6624 213.8107 
1 1 1   -8   14    6 o  2729.40  119.187  118.120   10.186  140.529   14.446   95.958   14.366  2959.79  156.423  2429.78  190.338 530.0095 246.3672 
1 1 1   -8   14    8 o  1004.23   99.508   16.087   3.0878   19.867   4.4218   12.490   4.3139  1110.60  129.589  868.815  164.598 241.7870 209.4889 
1 1 1   -8   14   10 o  1146.34   99.111   20.923   3.5226   22.612   5.0302   19.298   4.9345  1183.06  138.404  1089.07  148.576 93.98804 203.0534 
1 1 1   -8   14   12 o  1883.08  106.401   56.347   6.2482   56.935   8.8411   55.760   8.8313  1878.86  151.568  1858.69  153.102 20.16724 215.4374 
1 1 1   -8   14   14 o  337.945  134.562   0.9693   2.1372   0.9693   2.1372   0.0000   0.0000  337.945  134.562  ?   ?  0.000000 134.5618 
1 1 1   -8   14   16 o  1416.26  144.623   32.483   6.3235   32.483   6.3235   0.0000   0.0000  1416.26  144.623  ?   ?  0.000000 144.6231 
1 1 1   -8   14   18 o  1554.82  147.934   39.225   7.1154   0.0000   0.0000   39.225   7.1154  ?   ?   1554.82  147.934 0.000000 147.9341 
1 1 1   -8   14   20 o  1033.39  101.341   17.117   3.2370   16.957   4.5462   17.282   4.6101  1015.70  147.236  1025.35  147.863 -9.653748 208.6669 
1 1 1   -8   14   22 o  759.295  154.361   9.6803   3.5449   9.6803   3.5449   0.0000   0.0000  759.295  154.361  ?   ?  0.000000 154.3611 
1 1 1   -8   14   24 o  304.317  120.208   0.8648   1.6930   1.6955   2.2397  -0.2425   2.5860  372.171  140.568  320.451  139.045 51.71967 197.7191 
1 1 1   -8   14   26 o  1691.38  152.411   47.308   7.9852   47.308   7.9852   0.0000   0.0000  1691.38  152.411  ?   ?  0.000000 152.4110 
1 1 1   -8   14   28 o  771.682  115.454   9.7893   2.7040   10.344   3.7276   9.1731   3.9284  779.151  158.191  727.717  174.628 51.43384 235.6254 
1 1 1   -8   14   30 o  800.302  117.554   10.528   2.8581   8.5853   3.9020   12.777   4.1980  703.529  177.219  867.505  160.453 -163.9756 239.0645 
1 1 1   -8   14   32 o  1158.06  106.377   21.683   3.8143   19.911   5.3058   23.577   5.4872  1087.80  160.599  1189.99  150.635 -102.1929 220.1883 
1 1 1   -8   14   34 o  3585.98  146.388  211.388   16.437  190.338   23.233  232.485   23.259  3289.66  226.936  3677.16  202.786 -387.4961 304.3391 
1 1 1   -8   14   36 o  1981.74  111.276   63.667   6.8771   65.117   9.7138   62.210   9.7377  1969.99  158.823  1921.56  163.390 48.42419 227.8619 
1 1 1   -8   14   38 o  259.669  114.104  -0.3513   1.7895   0.1562   2.3069  -1.1181   2.8358  312.341  133.363  308.789  139.119 3.552460 192.7169 
1 1 1   -8   14   40 o  3967.23  160.990  267.867   19.999  236.371   28.265  299.441   28.300  3506.11  259.298  4041.20  224.530 -535.0898 343.0005 
1 1 1   -8   14   42 o  1277.21  108.073   26.846   4.2816   24.555   5.9740   29.267   6.1394  1183.74  165.716  1303.16  153.394 -119.4193 225.8135 
1 1 1   -8   14   44 o  2565.52  125.239  110.921   10.061  103.212   14.178  118.739   14.279  2357.14  193.811  2557.16  179.463 -200.0193 264.1392 
1 1 1   -8   14   46 o  882.232  180.671   15.229   4.8231   15.229   4.8231   0.0000   0.0000  882.232  180.671  ?   ?  0.000000 180.6706 
1 1 1   -8   14   48 o  810.167  185.207   14.068   4.5960   14.068   4.5960   0.0000   0.0000  810.167  185.207  ?   ?  0.000000 185.2071 
1 1 1   -8   14   50 o  897.829  189.801   18.857   5.1690   18.857   5.1690   0.0000   0.0000  897.829  189.801  ?   ?  0.000000 189.8014 
1 1 1   -8   14   52 o  353.274  150.828   2.3125   2.9502   2.3125   2.9502   0.0000   0.0000  353.274  150.828  ?   ?  0.000000 150.8281 
1 1 1   -8   14   54 o  228.048  108.868  -1.2746   2.1734  -1.2746   2.1734   0.0000   0.0000  228.048  108.868  ?   ?  0.000000 108.8675 
1 1 1   -8   15    1 o  2297.13  163.344   84.978   11.673   0.0000   0.0000   84.978   11.673  ?   ?   2297.13  163.344 0.000000 163.3442 
1 1 1   -8   15    3 o  2614.96  172.550  110.349   14.049   0.0000   0.0000  110.349   14.049  ?   ?   2614.96  172.550 0.000000 172.5504 
1 1 1   -8   15    7 o  1444.19  100.000   33.109   4.4943   39.193   6.5396   27.663   6.1868  1563.60  134.890  1306.53  154.200 257.0695 204.8729 
1 1 1   -8   15    9 o  347.672  124.811   1.6289   1.7286   4.3029   2.9464   0.2253   2.1346  519.440  162.835  309.213  129.982 210.2263 208.3517 
1 1 1   -8   15   11 o  418.202  124.149   2.8191   1.7435   2.5989   2.5737   3.0059   2.3703  430.405  152.527  443.412  146.693 -13.00714 211.6208 
1 1 1   -8   15   13 o  1728.87  149.425   48.216   8.0096   0.0000   0.0000   48.216   8.0096  ?   ?   1728.87  149.425 0.000000 149.4251 
1 1 1   -8   15   15 o  887.225  149.169   12.948   3.9970   0.0000   0.0000   12.948   3.9970  ?   ?   887.225  149.169 0.000000 149.1687 
1 1 1   -8   15   17 o  992.523  152.264   16.191   4.5811   0.0000   0.0000   16.191   4.5811  ?   ?   992.523  152.264 0.000000 152.2645 
1 1 1   -8   15   21 o  2162.31  161.143   76.532   10.832   76.532   10.832   0.0000   0.0000  2162.31  161.143  ?   ?  0.000000 161.1427 
1 1 1   -8   15   23 o  341.349  125.170   1.5299   1.7511   0.9919   2.1465   2.6006   3.0279  337.429  134.698  442.747  164.198 -105.3181 212.3785 
1 1 1   -8   15   25 o  1626.63  105.744   42.461   5.3567   36.875   7.4967   48.289   7.6569  1490.28  163.327  1717.95  143.659 -227.6731 217.5168 
1 1 1   -8   15   27 o  1711.23  106.351   46.996   5.6704   43.066   7.9294   51.110   8.1120  1613.65  158.999  1765.02  148.148 -151.3693 217.3213 
1 1 1   -8   15   29 o  2046.28  111.523   67.253   7.1188   65.447   10.008   69.103   10.128  1991.09  161.921  2047.99  159.190 -56.90295 227.0680 
1 1 1   -8   15   31 o  3257.87  201.458  179.514   20.450  179.514   20.450   0.0000   0.0000  3257.87  201.458  ?   ?  0.000000 201.4585 
1 1 1   -8   15   33 o  2968.83  191.533  148.885   17.710  148.885   17.710   0.0000   0.0000  2968.83  191.533  ?   ?  0.000000 191.5332 
1 1 1   -8   15   35 o  2764.74  185.700  129.732   15.983  129.732   15.983   0.0000   0.0000  2764.74  185.700  ?   ?  0.000000 185.7002 
1 1 1   -8   15   37 o  1958.57  162.616   64.575   9.8827   64.575   9.8827   0.0000   0.0000  1958.57  162.616  ?   ?  0.000000 162.6161 
1 1 1   -8   15   39 o  1450.25  109.148   34.251   4.9201   30.133   6.7488   38.922   7.1882  1326.88  166.073  1519.12  153.209 -192.2402 225.9494 
1 1 1   -8   15   41 o  1054.18  111.419   18.302   3.6221   9.8041   4.8540   28.980   5.4410  728.419  204.453  1315.64  133.945 -587.2221 244.4220 
1 1 1   -8   15   43 o  1047.62  115.645   18.354   3.7303   16.542   5.1124   20.417   5.4553  954.865  177.522  1069.99  168.389 -115.1275 244.6810 
1 1 1   -8   15   45 o  961.600  128.127   16.133   3.7619   16.521   5.0194   15.636   5.6823  930.987  178.682  874.050  210.197 56.93774 275.8807 
1 1 1   -8   15   47 o  594.042  160.305   7.0116   3.0509   8.4235   3.9839   5.0093   4.7442  626.880  188.023  500.362  200.074 126.5183 274.5580 
1 1 1   -8   15   49 o  512.468  185.584   6.1086   3.8321   6.1086   3.8321   0.0000   0.0000  512.468  185.584  ?   ?  0.000000 185.5839 
1 1 1   -8   15   51 f  1055.49  130.119   21.977   4.2094   18.230   5.6169   26.778   6.3576  810.091  217.052  1024.92  205.258 -214.8312 298.7343 
1 1 1   -8   15   53 o  1012.19  135.710   21.712   4.1929   14.880   5.4750   31.402   6.5204  640.183  222.804  1065.87  202.778 -425.6833 301.2648 
1 1 1   -8   15   55 o  871.787  152.637   18.552   4.0149   18.101   5.0969   19.289   6.5171  709.333  212.652  589.473  234.895 119.8594 316.8538 
1 1 1   -8   16    2 o  1607.81  148.836   41.578   7.4081   0.0000   0.0000   41.578   7.4081  ?   ?   1607.81  148.836 0.000000 148.8357 
1 1 1   -8   16    4 o  949.974  150.490   14.739   4.3273   0.0000   0.0000   14.739   4.3273  ?   ?   949.974  150.490 0.000000 150.4897 
1 1 1   -8   16    6 o  838.725  150.421   11.556   3.8053   0.0000   0.0000   11.556   3.8053  ?   ?   838.725  150.421 0.000000 150.4207 
1 1 1   -8   16   12 o  681.607  118.782   7.5823   2.4430   11.245   3.8686   5.1527   3.1507  824.838  155.487  561.495  166.935 263.3430 228.1309 
1 1 1   -8   16   14 o  2070.40  108.269   68.143   6.9946   77.637   10.007   59.076   9.7804  2196.92  146.310  1907.86  165.352 289.0646 220.7889 
1 1 1   -8   16   18 o  541.119  126.185   4.8635   2.0987   5.0054   3.0463   4.7354   2.8955  551.200  164.209  536.766  160.136 14.43390 229.3645 
1 1 1   -8   16   20 o  769.104  113.013   9.6234   2.6405   7.5286   3.6944   11.811   3.7753  666.479  174.848  843.743  148.309 -177.2643 229.2752 
1 1 1   -8   16   22 o  1286.28  146.813   27.088   5.8072   27.088   5.8072   0.0000   0.0000  1286.28  146.813  ?   ?  0.000000 146.8134 
1 1 1   -8   16   24 o  585.284  165.516   5.7575   3.1688   5.7575   3.1688   0.0000   0.0000  585.284  165.516  ?   ?  0.000000 165.5162 
1 1 1   -8   16   26 o  555.694  166.932   5.1199   3.1385   5.1199   3.1385   0.0000   0.0000  555.694  166.932  ?   ?  0.000000 166.9323 
1 1 1   -8   16   28 o  1357.20  105.752   29.516   4.4587   27.078   6.1632   32.192   6.4582  1282.07  156.793  1402.35  149.374 -120.2830 216.5565 
1 1 1   -8   16   30 o  1103.20  109.491   19.612   3.7323   15.380   5.0633   24.646   5.5232  953.900  176.002  1225.16  146.902 -271.2554 229.2527 
1 1 1   -8   16   32 o  1415.27  155.149   33.070   6.7628   33.070   6.7628   0.0000   0.0000  1415.27  155.149  ?   ?  0.000000 155.1488 
1 1 1   -8   16   34 o  1373.15  109.526   30.426   4.6701   29.291   6.4493   31.678   6.7714  1326.02  158.466  1378.91  159.791 -52.89282 225.0437 
1 1 1   -8   16   36 o  863.414  127.678   12.337   3.3477   13.417   4.3591   10.786   5.2271  887.295  162.899  777.495  209.835 109.7996 265.6440 
1 1 1   -8   16   38 o  803.555  127.723   10.754   3.1061   5.6900   4.0382   18.092   4.8608  580.884  191.436  1034.51  154.815 -453.6255 246.2025 
1 1 1   -8   16   40 o  2038.92  115.761   67.884   7.3601   66.797   10.249   69.041   10.576  1979.39  166.925  2009.90  169.628 -30.50525 237.9871 
1 1 1   -8   16   42 o  1336.85  164.105   31.199   6.7252   31.199   6.7252   0.0000   0.0000  1336.85  164.105  ?   ?  0.000000 164.1045 
1 1 1   -8   16   44 f  505.954  178.508   4.5714   3.5214   4.5714   3.5214   0.0000   0.0000  505.954  178.508  ?   ?  0.000000 178.5076 
1 1 1   -8   16   46 o  1421.05  125.259   35.607   5.5166   41.638   7.3865   28.000   8.2957  1484.76  161.482  1095.20  247.704 389.5656 295.6918 
1 1 1   -8   16   48 o  1297.76  182.798   35.337   7.2224   35.337   7.2224   0.0000   0.0000  1297.76  182.798  ?   ?  0.000000 182.7984 
1 1 1   -8   16   50 o  521.419  191.656   6.8530   4.1089   6.8530   4.1089   0.0000   0.0000  521.419  191.656  ?   ?  0.000000 191.6562 
1 1 1   -8   16   52 o  1076.66  143.480   24.308   4.7167   26.705   6.1703   20.937   7.3160  1015.50  201.163  720.421  256.961 295.0754 326.3368 
1 1 1   -8   16   54 o  852.361  174.797   18.574   4.5087   27.599   5.8230   5.0629   7.1245  1003.24  192.363  391.195  189.356 612.0477 269.9241 
1 1 1   -8   17    1 o  3490.53  142.001  194.103   15.520  193.071   21.949  195.135   21.949  3444.14  204.443  3463.29  203.287 -19.15259 288.3100 
1 1 1   -8   17    3 o  349.261  129.113   1.5234   1.8692   10.042   3.5312  -1.7924   2.2031  780.811  149.881  254.280  117.571 526.5311 190.4921 
1 1 1   -8   17    5 o  3002.89  125.120  143.129   11.765  165.376   16.753  121.485   16.525  3206.57  167.438  2734.19  194.278 472.3777 256.4751 
1 1 1   -8   17    7 o  954.599  110.906   14.613   3.2533   14.736   4.9417   14.519   4.3220  943.538  173.661  942.110  151.657 1.428467 230.5600 
1 1 1   -8   17   11 o  2043.41  157.654   67.369   10.009   0.0000   0.0000   67.369   10.009  ?   ?   2043.41  157.654 0.000000 157.6542 
1 1 1   -8   17   13 o  623.252  160.246   6.4837   3.1447   0.0000   0.0000   6.4837   3.1447  ?   ?   623.252  160.246 0.000000 160.2456 
1 1 1   -8   17   15 o  527.142  158.427   4.5322   2.8264   0.0000   0.0000   4.5322   2.8264  ?   ?   527.142  158.427 0.000000 158.4270 
1 1 1   -8   17   17 o  868.037  154.025   12.478   4.0331   0.0000   0.0000   12.478   4.0331  ?   ?   868.037  154.025 0.000000 154.0253 
1 1 1   -8   17   21 o  1055.30  120.354   17.990   3.9058   22.887   5.6357   13.464   5.4181  1180.64  156.286  887.828  199.731 292.8167 253.6095 
1 1 1   -8   17   23 o  1261.90  164.057   26.202   6.3291   0.0000   0.0000   26.202   6.3291  ?   ?   1261.90  164.057 0.000000 164.0570 
1 1 1   -8   17   25 o  552.733  144.647   5.0929   2.5325   5.1231   3.1895   5.0413   4.1659  558.341  168.408  570.935  194.533 -12.59393 257.3025 
1 1 1   -8   17   27 o  2103.25  163.173   72.135   10.662   72.135   10.662   0.0000   0.0000  2103.25  163.173  ?   ?  0.000000 163.1727 
1 1 1   -8   17   29 o  373.632  154.842   0.7112   2.9663   0.7112   2.9663   0.0000   0.0000  373.632  154.842  ?   ?  0.000000 154.8418 
1 1 1   -8   17   31 o  2869.80  186.422  136.681   16.661  136.681   16.661   0.0000   0.0000  2869.80  186.422  ?   ?  0.000000 186.4223 
1 1 1   -8   17   33 o  1279.56  112.654   26.410   4.4676   25.709   6.0620   27.243   6.6097  1244.52  159.210  1276.96  169.493 -32.43970 232.5414 
1 1 1   -8   17   35 o  926.851  128.523   14.130   3.6296   14.336   4.8896   13.877   5.4168  915.414  176.987  891.440  199.088 23.97382 266.3843 
1 1 1   -8   17   37 o  1719.24  161.228   49.304   8.5781   49.304   8.5781   0.0000   0.0000  1719.24  161.228  ?   ?  0.000000 161.2281 
1 1 1   -8   17   39 o  2670.88  128.244  116.582   10.725  123.015   15.030  109.907   15.310  2685.28  179.788  2518.80  195.650 166.4724 265.7114 
1 1 1   -8   17   41 o  1088.59  176.171   20.920   5.7999   20.920   5.7999   0.0000   0.0000  1088.59  176.171  ?   ?  0.000000 176.1707 
1 1 1   -8   17   43 o  1252.47  167.882   28.269   6.4183   28.269   6.4183   0.0000   0.0000  1252.47  167.882  ?   ?  0.000000 167.8818 
1 1 1   -8   17   45 f  534.741  168.893   5.4881   3.1638   4.6009   4.0081   6.9547   5.1534  500.964  188.297  580.039  214.392 -79.07413 285.3417 
1 1 1   -8   17   47 o  817.872  200.464   14.546   5.0940   14.546   5.0940   0.0000   0.0000  817.872  200.464  ?   ?  0.000000 200.4642 
1 1 1   -8   17   49 o  327.961  149.597  -0.2086   3.4044  -0.2086   3.4044   0.0000   0.0000  327.961  149.597  ?   ?  0.000000 149.5966 
1 1 1   -8   17   51 o  252.849  122.820  -3.2569   3.0650  -3.2569   3.0650   0.0000   0.0000  252.849  122.820  ?   ?  0.000000 122.8196 
1 1 1   -8   17   53 o  659.644  178.354   11.087   3.7722   7.2066   4.6276   18.772   6.5124  475.111  194.784  695.985  242.954 -220.8733 311.3958 
1 1 1   -8   18    2 o  425.897  176.128   0.9200   3.8263   0.9200   3.8263   0.0000   0.0000  425.897  176.128  ?   ?  0.000000 176.1282 
1 1 1   -8   18    4 o  993.646  125.729   15.918   3.8243   13.255   5.3448   18.712   5.4743  888.149  197.318  1067.27  169.474 -179.1254 260.1071 
1 1 1   -8   18    6 o  624.250  155.890   6.4787   3.0380   7.1204   4.2554   5.8117   4.3386  656.871  193.686  607.129  198.349 49.74194 277.2306 
1 1 1   -8   18    8 o  1632.07  161.233   43.122   8.1319   43.122   8.1319   0.0000   0.0000  1632.07  161.233  ?   ?  0.000000 161.2330 
1 1 1   -8   18   10 o  790.932  120.083   10.149   2.8805   12.957   4.5255   8.2371   3.7348  883.353  169.779  701.579  171.460 181.7733 241.2951 
1 1 1   -8   18   12 o  440.698  135.057   3.1069   2.0399   8.2104   3.6268   0.7452   2.4672  700.487  167.597  348.762  142.516 351.7253 219.9994 
1 1 1   -8   18   14 f  1094.75  111.001   19.199   3.7525   16.181   5.6014   21.655   5.0542  983.043  188.837  1155.35  142.744 -172.3035 236.7178 
1 1 1   -8   18   16 o  832.632  157.700   11.491   3.9610   0.0000   0.0000   11.491   3.9610  ?   ?   832.632  157.700 0.000000 157.7000 
1 1 1   -8   18   18 o  1266.24  147.762   26.028   5.7485   0.0000   0.0000   26.028   5.7485  ?   ?   1266.24  147.762 0.000000 147.7622 
1 1 1   -8   18   20 o  1354.06  164.048   29.938   6.8135   0.0000   0.0000   29.938   6.8135  ?   ?   1354.06  164.048 0.000000 164.0483 
1 1 1   -8   18   22 o  636.990  199.580   6.6137   4.4269   0.0000   0.0000   6.6137   4.4269  ?   ?   636.990  199.580 0.000000 199.5797 
1 1 1   -8   18   26 o  1711.11  113.449   46.729   6.0440   45.973   8.5783   47.475   8.5171  1679.45  165.265  1708.54  161.104 -29.09070 230.7961 
1 1 1   -8   18   28 o  2050.84  116.633   67.210   7.4588   69.583   10.531   64.822   10.566  2066.73  164.078  1990.95  171.148 75.77368 237.0936 
1 1 1   -8   18   30 o  3418.14  142.323  188.235   15.233  201.186   21.563  175.334   21.522  3482.91  198.545  3236.65  213.556 246.2622 291.5926 
1 1 1   -8   18   32 o  2746.42  182.883  124.800   15.638  124.800   15.638   0.0000   0.0000  2746.42  182.883  ?   ?  0.000000 182.8834 
1 1 1   -8   18   34 o  2584.46  178.871  110.825   14.386  110.825   14.386   0.0000   0.0000  2584.46  178.871  ?   ?  0.000000 178.8708 
1 1 1   -8   18   36 o  1625.45  159.092   43.764   7.9935   43.764   7.9935   0.0000   0.0000  1625.45  159.092  ?   ?  0.000000 159.0921 
1 1 1   -8   18   38 o  1865.80  116.436   56.473   6.7685   51.161   9.2912   62.480   9.8803  1739.62  172.857  1929.81  165.096 -190.1914 239.0325 
1 1 1   -8   18   40 o  371.103  152.923   1.0255   2.8705  -3.7611   3.5495   10.074   4.8801  298.066  141.386  740.303  203.990 -442.2363 248.1976 
1 1 1   -8   18   42 o  433.358  175.153   2.1811   3.6787   2.1811   3.6787   0.0000   0.0000  433.358  175.153  ?   ?  0.000000 175.1527 
1 1 1   -8   18   44 o  212.128  105.340  -5.9365   2.6930  -5.9365   2.6930   0.0000   0.0000  212.128  105.340  ?   ?  0.000000 105.3397 
1 1 1   -8   18   46 o  306.821  143.315  -1.9468   3.4047  -1.9468   3.4047   0.0000   0.0000  306.821  143.315  ?   ?  0.000000 143.3151 
1 1 1   -8   18   48 o  796.282  210.019   14.642   5.3118   14.642   5.3118   0.0000   0.0000  796.282  210.019  ?   ?  0.000000 210.0188 
1 1 1   -8   18   50 o  236.439  116.553  -4.9129   3.0831  -4.9129   3.0831   0.0000   0.0000  236.439  116.553  ?   ?  0.000000 116.5528 
1 1 1   -8   18   52 o  342.378  156.581   0.7952   3.7606   0.7952   3.7606   0.0000   0.0000  342.378  156.581  ?   ?  0.000000 156.5810 
1 1 1   -8   19    1 o  1300.87  119.935   27.039   4.8303   29.823   6.9600   24.452   6.7091  1354.42  167.697  1220.65  181.017 133.7637 246.7579 
1 1 1   -8   19    3 o  1013.95  185.871   17.049   5.6838   17.049   5.6838   0.0000   0.0000  1013.95  185.871  ?   ?  0.000000 185.8710 
1 1 1   -8   19    5 o  618.882  201.532   6.0432   4.4803   6.0432   4.4803   0.0000   0.0000  618.882  201.532  ?   ?  0.000000 201.5323 
1 1 1   -8   19    7 o  1897.39  165.262   58.116   9.7205   58.116   9.7205   0.0000   0.0000  1897.39  165.262  ?   ?  0.000000 165.2621 
1 1 1   -8   19    9 o  366.062  162.202  -1.1357   3.6888   0.0000   0.0000  -1.1357   3.6888  ?   ?   366.062  162.202 0.000000 162.2021 
1 1 1   -8   19   11 o  685.329  195.456   7.8037   4.3996   0.0000   0.0000   7.8037   4.3996  ?   ?   685.329  195.456 0.000000 195.4565 
1 1 1   -8   19   13 f  883.415  136.516   12.698   3.6546   9.8644   5.2025   15.459   5.1348  766.235  210.410  966.369  176.184 -200.1338 274.4323 
1 1 1   -8   19   15 f  1876.19  105.658   55.833   6.1819   69.328   8.9983   43.771   8.5075  2082.03  138.821  1643.60  167.653 438.4320 217.6664 
1 1 1   -8   19   17 o  1242.01  107.135   24.571   4.1258   30.731   6.3274   20.015   5.4417  1380.08  148.773  1107.13  161.742 272.9465 219.7586 
1 1 1   -8   19   19 o  1570.96  109.141   39.230   5.3354   42.906   7.6991   35.833   7.4005  1631.98  152.427  1487.57  161.473 144.4160 222.0528 
1 1 1   -8   19   21 o  1337.52  160.609   29.047   6.5919   0.0000   0.0000   29.047   6.5919  ?   ?   1337.52  160.609 0.000000 160.6085 
1 1 1   -8   19   23 o  1779.95  163.056   51.262   8.9869   0.0000   0.0000   51.262   8.9869  ?   ?   1779.95  163.056 0.000000 163.0560 
1 1 1   -8   19   25 o  410.922  174.914   0.1864   3.9461   0.0000   0.0000   0.1864   3.9461  ?   ?   410.922  174.914 0.000000 174.9138 
1 1 1   -8   19   27 o  2504.38  178.473  102.231   13.904   0.0000   0.0000  102.231   13.904  ?   ?   2504.38  178.473 0.000000 178.4735 
1 1 1   -8   19   31 o  2321.28  121.699   86.296   8.8149   87.657   12.414   84.912   12.518  2313.72  172.597  2274.37  177.180 39.35376 247.3508 
1 1 1   -8   19   33 o  495.165  184.713   3.2259   3.8427   2.2490   5.8531   3.9659   5.0944  534.744  219.127  556.291  211.545 -21.54706 304.5782 
1 1 1   -8   19   35 f  2241.29  123.375   80.966   8.6252   92.976   12.447   69.872   11.963  2373.50  168.578  2042.44  189.204 331.0648 253.4100 
1 1 1   -8   19   37 o  638.765  201.545   6.9972   4.5063   6.9972   4.5063   0.0000   0.0000  638.765  201.545  ?   ?  0.000000 201.5446 
1 1 1   -8   19   39 o  2290.27  178.740   90.400   12.717   90.400   12.717   0.0000   0.0000  2290.27  178.740  ?   ?  0.000000 178.7397 
1 1 1   -8   19   43 o  1281.34  180.531   30.416   7.0425   30.416   7.0425   0.0000   0.0000  1281.34  180.531  ?   ?  0.000000 180.5310 
1 1 1   -8   19   45 o  775.771  209.832   12.644   5.2201   12.644   5.2201   0.0000   0.0000  775.771  209.832  ?   ?  0.000000 209.8319 
1 1 1   -8   19   47 o  825.173  168.564   13.410   4.2082   12.135   5.1873   15.864   7.1971  732.488  213.240  775.877  255.564 -43.38879 332.8427 
1 1 1   -8   19   49 o  1266.90  145.214   30.737   5.6566   39.322   7.4150   18.786   8.7485  1378.91  175.729  738.455  278.067 640.4530 328.9405 
1 1 1   -8   19   51 o  336.465  155.863  -0.2399   3.8987  -0.2399   3.8987   0.0000   0.0000  336.465  155.863  ?   ?  0.000000 155.8628 
1 1 1   -8   20    2 o  1530.06  117.628   37.222   5.5924   33.392   7.9358   41.000   7.8821  1433.45  180.827  1596.40  159.830 -162.9498 241.3380 
1 1 1   -8   20    4 o  2131.20  168.946   72.976   11.182   72.976   11.182   0.0000   0.0000  2131.20  168.946  ?   ?  0.000000 168.9456 
1 1 1   -8   20    6 o  710.765  208.777   8.3108   4.9527   8.3108   4.9527   0.0000   0.0000  710.765  208.777  ?   ?  0.000000 208.7770 
1 1 1   -8   20    8 o  578.153  202.130   4.8458   4.5085   4.8458   4.5085   0.0000   0.0000  578.153  202.130  ?   ?  0.000000 202.1301 
1 1 1   -8   20   14 o  492.892  190.833   2.5785   4.1966   2.5785   4.1966   0.0000   0.0000  492.892  190.833  ?   ?  0.000000 190.8329 
1 1 1   -8   20   16 f  564.955  168.416   5.1691   3.2036   9.1887   4.4497   0.8433   4.6160  742.398  190.477  461.150  192.303 281.2475 270.6692 
1 1 1   -8   20   18 o  1184.18  166.206   22.818   5.9931   0.0000   0.0000   22.818   5.9931  ?   ?   1184.18  166.206 0.000000 166.2060 
1 1 1   -8   20   20 o  558.266  158.289   5.1069   2.8942   7.2093   4.4889   3.6112   3.7862  664.073  199.674  513.097  184.660 150.9756 271.9729 
1 1 1   -8   20   22 o  1751.79  113.714   48.772   6.2038   51.640   8.9608   46.132   8.5974  1789.50  161.664  1689.71  164.583 99.79529 230.7012 
1 1 1   -8   20   24 o  796.580  190.312   10.661   4.6819   0.0000   0.0000   10.661   4.6819  ?   ?   796.580  190.312 0.000000 190.3118 
1 1 1   -8   20   26 o  1143.54  127.313   21.051   4.4813   24.244   6.4821   18.127   6.2022  1214.37  175.568  1040.28  197.633 174.0924 264.3536 
1 1 1   -8   20   28 o  1629.58  168.999   43.283   8.4980   0.0000   0.0000   43.283   8.4980  ?   ?   1629.58  168.999 0.000000 168.9994 
1 1 1   -8   20   30 o  1644.29  170.759   44.204   8.6636   0.0000   0.0000   44.204   8.6636  ?   ?   1644.29  170.759 0.000000 170.7586 
1 1 1   -8   20   32 o  807.590  227.563   11.243   6.0011   0.0000   0.0000   11.243   6.0011  ?   ?   807.590  227.563 0.000000 227.5633 
1 1 1   -8   20   38 o  1496.27  136.572   37.133   6.3281   30.016   9.0694   43.884   8.8339  1276.88  235.513  1596.21  179.880 -319.3395 296.3500 
1 1 1   -8   20   40 o  1592.79  129.492   42.399   6.4024   41.708   8.7997   43.176   9.3325  1528.79  187.772  1546.28  197.241 -17.48535 272.3276 
1 1 1   -8   20   42 f  265.054  129.131  -5.4340   3.4575  -3.0866   4.5218  -8.7383   5.3650  351.412  164.473  319.661  156.813 31.75067 227.2486 
1 1 1   -8   20   44 f  774.364  216.721   12.420   5.4622   12.420   5.4622   0.0000   0.0000  774.364  216.721  ?   ?  0.000000 216.7208 
1 1 1   -8   20   46 o  406.839  177.741   1.1191   4.2870   1.1191   4.2870   0.0000   0.0000  406.839  177.741  ?   ?  0.000000 177.7412 
1 1 1   -8   20   48 o  760.997  219.445   13.558   5.5170   13.558   5.5170   0.0000   0.0000  760.997  219.445  ?   ?  0.000000 219.4450 
1 1 1   -8   20   50 o  378.523  167.491   1.3613   3.9201   7.5941   4.5450 -16.7437   7.7463  556.150  202.001  313.521  158.634 242.6293 256.8448 
1 1 1   -8   21    1 o  1828.22  121.445   52.986   6.9127   52.270   9.6019   53.757   9.9599  1804.55  172.013  1829.22  176.064 -24.67419 246.1440 
1 1 1   -8   21    3 o  1918.72  118.379   58.307   7.0774   62.459   10.046   54.216   9.9724  1976.03  163.840  1837.14  175.491 138.8914 240.0847 
1 1 1   -8   21    5 o  1182.51  192.440   22.888   6.8804   22.888   6.8804   0.0000   0.0000  1182.51  192.440  ?   ?  0.000000 192.4396 
1 1 1   -8   21    7 o  1346.90  177.740   29.386   7.3130   29.386   7.3130   0.0000   0.0000  1346.90  177.740  ?   ?  0.000000 177.7402 
1 1 1   -8   21    9 o  674.089  208.803   7.2883   4.8611   0.0000   0.0000   7.2883   4.8611  ?   ?   674.089  208.803 0.000000 208.8025 
1 1 1   -8   21   11 o  867.961  150.490   12.282   3.9418   20.353   5.4893   3.6906   5.6638  1120.72  161.050  577.461  222.220 543.2624 274.4427 
1 1 1   -8   21   13 o  828.641  212.864   11.457   5.5524   0.0000   0.0000   11.457   5.5524  ?   ?   828.641  212.864 0.000000 212.8643 
1 1 1   -8   21   15 o  1299.28  179.859   27.445   7.1211   27.445   7.1211   0.0000   0.0000  1299.28  179.859  ?   ?  0.000000 179.8586 
1 1 1   -8   21   17 o  966.144  206.955   15.568   6.0723   15.568   6.0723   0.0000   0.0000  966.144  206.955  ?   ?  0.000000 206.9552 
1 1 1   -8   21   21 o  2150.24  116.203   73.335   7.7948   80.430   11.198   66.666   10.857  2239.26  160.781  2034.02  172.075 205.2458 235.4997 
1 1 1   -8   21   23 o  424.417  174.693   0.9891   3.7407   0.0000   0.0000   0.9891   3.7407  ?   ?   424.417  174.693 0.000000 174.6929 
1 1 1   -8   21   25 o  282.452  134.654  -4.2596   3.3011   0.0000   0.0000  -4.2596   3.3011  ?   ?   282.452  134.654 0.000000 134.6544 
1 1 1   -8   21   27 o  1471.56  167.662   35.208   7.5877   0.0000   0.0000   35.208   7.5877  ?   ?   1471.56  167.662 0.000000 167.6624 
1 1 1   -8   21   29 o  861.502  201.104   12.559   5.3262   0.0000   0.0000   12.559   5.3262  ?   ?   861.502  201.104 0.000000 201.1039 
1 1 1   -8   21   31 o  1794.82  120.737   51.539   6.7460   58.513   9.7636   45.168   9.3316  1895.40  166.188  1656.63  182.944 238.7760 247.1582 
1 1 1   -8   21   33 o  2397.36  125.352   92.328   9.3771   97.447   13.325   87.306   13.198  2433.57  176.057  2297.04  185.068 136.5332 255.4333 
1 1 1   -8   21   35 o  788.890  240.389   11.087   6.4745   0.0000   0.0000   11.087   6.4745  ?   ?   788.890  240.389 0.000000 240.3895 
1 1 1   -8   21   37 o  1507.03  198.672   39.653   9.1465   0.0000   0.0000   39.653   9.1465  ?   ?   1507.03  198.672 0.000000 198.6718 
1 1 1   -8   21   39 o  541.438  227.160   2.8080   6.4992   0.0000   0.0000   2.8080   6.4992  ?   ?   541.438  227.160 0.000000 227.1598 
1 1 1   -8   21   43 o  535.559  230.189   3.2594   6.9548   0.0000   0.0000   3.2594   6.9548  ?   ?   535.559  230.189 0.000000 230.1893 
1 1 1   -8   21   47 o  624.529  203.295   8.3927   4.5592   8.0389   5.5901   9.0955   7.8789  599.375  222.944  613.323  253.116 -13.94788 337.3004 
1 1 1   -8   21   49 o  1671.25  135.966   51.551   7.0536   62.194   8.9997   34.602   11.357  1778.35  163.448  996.135  320.568 782.2203 359.8316 
1 1 1   -8   22    2 o  634.034  174.711   6.5841   3.5797   5.1371   4.3218   9.7462   6.3888  586.654  198.147  777.202  239.148 -190.5487 310.5708 
1 1 1   -8   22    4 o  565.396  174.023   5.0791   3.3827   3.7439   4.3561   7.1071   5.3688  538.510  197.428  676.591  220.627 -138.0801 296.0642 
1 1 1   -8   22    6 o  1009.68  130.691   16.357   4.0349   18.412   5.1770   13.177   6.4401  1066.36  159.980  889.346  229.665 177.0169 279.8919 
1 1 1   -8   22    8 o  521.941  170.078   4.1803   3.1907   4.5431   4.0706   3.6022   5.1384  558.335  192.239  559.218  212.504 -0.8829956 286.5549 
1 1 1   -8   22   10 o  1340.44  125.727   28.604   5.2154   22.922   7.2955   34.544   7.4587  1181.35  204.635  1466.13  165.359 -284.7756 263.0947 
1 1 1   -8   22   12 o  644.041  221.293   6.1360   5.3927   0.0000   0.0000   6.1360   5.3927  ?   ?   644.041  221.293 0.000000 221.2932 
1 1 1   -8   22   14 o  694.116  219.651   7.6635   5.3493   0.0000   0.0000   7.6635   5.3493  ?   ?   694.116  219.651 0.000000 219.6514 
1 1 1   -8   22   16 o  594.998  212.022   4.9476   4.9797   0.0000   0.0000   4.9476   4.9797  ?   ?   594.998  212.022 0.000000 212.0221 
1 1 1   -8   22   18 o  529.750  183.293   4.0772   3.7027  -0.2089   5.4292   7.8045   5.0629  473.235  203.391  694.550  212.755 -221.3151 294.3344 
1 1 1   -8   22   22 o  544.948  217.110   2.6464   5.5666   2.6464   5.5666   0.0000   0.0000  544.948  217.110  ?   ?  0.000000 217.1102 
1 1 1   -8   22   28 o  2450.19  125.932   95.631   9.6290  100.652   13.872   90.962   13.376  2492.47  178.937  2367.57  181.820 124.9021 255.1021 
1 1 1   -8   22   30 f  1540.92  123.804   38.049   5.9231   34.178   8.6974   41.397   8.0887  1433.94  199.077  1594.21  164.397 -160.2729 258.1817 
1 1 1   -8   22   32 o  1425.15  128.906   32.812   5.6901   39.665   8.6019   27.479   7.5874  1546.25  181.092  1277.40  195.946 268.8523 266.8136 
1 1 1   -8   22   34 o  997.767  156.800   16.641   4.7372   22.349   7.4723   12.805   6.1256  1129.68  219.150  848.906  226.319 280.7691 315.0347 
1 1 1   -8   22   36 o  1923.78  121.674   60.211   7.2916   79.667   10.643   43.000   10.010  2187.90  156.381  1567.70  209.137 620.2014 261.1379 
1 1 1   -8   22   38 o  694.507  210.651   8.7521   4.9801   7.5086   8.3361   9.4422   6.2100  683.636  267.767  716.974  237.453 -33.33777 357.8869 
1 1 1   -8   22   40 o  893.448  226.382   15.304   6.3409 -13.5498   12.519   25.262   7.3542  506.383  246.486  1171.67  208.074 -665.2882 322.5681 
1 1 1   -8   22   42 o  611.234  232.607   6.6814   6.1622 -25.3060   13.853   14.573   6.8804  459.293  229.766  840.823  245.819 -381.5300 336.4809 
1 1 1   -8   22   44 o  548.468  264.061  -5.4206   13.410  -5.4206   13.410   0.0000   0.0000  548.468  264.061  ?   ?  0.000000 264.0613 
1 1 1   -8   22   46 o  426.526  199.145  -1.9710   6.5631  -0.4335   14.275  -2.3831   7.3905  568.491  273.396  442.926  208.248 125.5645 343.6753 
1 1 1   -8   23    1 o  873.162  156.997   12.424   4.1346   11.994   5.1094   13.240   7.0377  851.508  195.727  893.406  244.473 -41.89856 313.1709 
1 1 1   -8   23    3 o  432.120  172.963   1.4598   3.5495  -0.3303   4.4819   4.4717   5.8136  428.638  184.518  605.867  226.961 -177.2292 292.5036 
1 1 1   -8   23    5 o  875.219  153.073   12.463   4.0422   7.5816   5.0601   21.070   6.7198  689.125  212.963  1134.92  196.191 -445.7899 289.5583 
1 1 1   -8   23    7 o  707.792  176.255   8.2643   3.8914   12.219   4.8968   1.4860   6.4106  860.434  187.084  551.236  227.970 309.1980 294.9082 
1 1 1   -8   23    9 o  1515.88  109.980   36.367   5.1848   34.395   6.5244   39.747   8.5411  1468.27  143.757  1572.47  176.514 -104.2063 227.6466 
1 1 1   -8   23   11 o  1215.57  197.368   24.137   7.2546   0.0000   0.0000   24.137   7.2546  ?   ?   1215.57  197.368 0.000000 197.3676 
1 1 1   -8   23   13 o  866.907  228.396   12.506   6.2865   0.0000   0.0000   12.506   6.2865  ?   ?   866.907  228.396 0.000000 228.3965 
1 1 1   -8   23   15 o  978.624  217.937   15.943   6.5069   0.0000   0.0000   15.943   6.5069  ?   ?   978.624  217.937 0.000000 217.9372 
1 1 1   -8   23   17 o  954.243  189.705   15.023   5.4687   16.884   9.5271   14.109   6.6786  1002.95  288.128  918.404  232.126 84.54279 370.0002 
1 1 1   -8   23   19 o  1001.31  137.895   16.156   4.2088   12.523   5.5316   21.151   6.4860  866.927  206.689  1136.49  188.892 -269.5662 280.0006 
1 1 1   -8   23   21 o  1462.59  119.205   33.999   5.4118   33.895   6.9935   34.153   8.5440  1452.65  156.206  1448.74  193.156 3.905151 248.4137 
1 1 1   -8   23   23 o  435.268  188.198  -0.4347   4.7039 -13.2849   9.7503   3.4634   5.3702  474.025  227.442  560.757  216.218 -86.73190 313.8155 
1 1 1   -8   23   25 o  1619.21  115.484   41.664   5.8168   47.034   7.7204   34.614   8.8466  1713.85  145.229  1452.91  199.739 260.9399 246.9558 
1 1 1   -8   23   27 o  1315.53  301.284   30.286   12.144   30.286   12.144   0.0000   0.0000  1315.53  301.284  ?   ?  0.000000 301.2840 
1 1 1   -8   23   29 f  1532.24  153.837   38.072   7.2812   38.072   7.2812   0.0000   0.0000  1532.24  153.837  ?   ?  0.000000 153.8368 
1 1 1   -8   23   31 o  673.864  291.042   1.3508   11.225   1.3508   11.225   0.0000   0.0000  673.864  291.042  ?   ?  0.000000 291.0419 
1 1 1   -8   23   33 o  717.986  304.062   4.1958   11.821   4.1958   11.821   0.0000   0.0000  717.986  304.062  ?   ?  0.000000 304.0617 
1 1 1   -8   23   35 o  845.736  171.614   12.277   4.3894   18.175   6.2136   6.4015   6.2014  1019.03  201.871  640.959  235.475 378.0709 310.1617 
1 1 1   -8   23   37 o  896.195  167.225   13.842   4.5201   11.136   6.4373   16.473   6.3483  776.784  240.227  952.680  217.583 -175.8954 324.1161 
1 1 1   -8   23   39 o  673.459  206.370   8.2417   4.7631   8.3029   7.4919   8.2003   6.1707  688.106  257.672  675.167  236.449 12.93927 349.7179 
1 1 1   -8   23   41 o  865.779  196.741   13.852   5.2125   12.052   7.9678   15.198   6.8918  769.992  268.737  874.587  242.963 -104.5953 362.2858 
1 1 1   -8   23   43 o  787.393  271.931   13.578   8.1480   13.578   8.1480   0.0000   0.0000  787.393  271.931  ?   ?  0.000000 271.9305 
1 1 1   -8   23   45 o  1080.69  222.378   23.690   7.2741   30.936   15.556   21.663   8.2292  957.068  368.285  981.771  262.580 -24.70306 452.3079 
1 1 1   -8   24    2 o  1285.06  165.702   26.554   6.5122   17.295   9.2434   35.680   9.1764  1018.99  280.728  1484.50  202.710 -465.5070 346.2655 
1 1 1   -8   24    4 o  506.885  188.549   3.1421   3.9984   5.4707   4.9549  -1.2053   6.7701  614.194  212.059  512.342  223.610 101.8528 308.1732 
1 1 1   -8   24    6 o  702.338  186.528   8.1079   4.1712   11.518   5.0939   1.1674   7.2673  834.694  197.904  576.347  240.895 258.3472 311.7639 
1 1 1   -8   24    8 o  1000.11  179.733   16.334   5.4216   23.533   7.5201   8.5427   7.8235  1199.05  207.826  765.079  266.333 433.9671 337.8238 
1 1 1   -8   24   10 o  1089.35  232.938   19.695   7.7049   0.0000   0.0000   19.695   7.7049  ?   ?   1089.35  232.938 0.000000 232.9382 
1 1 1   -8   24   12 f  904.679  155.439   13.304   4.2446   11.117   5.4391   16.710   6.7879  819.404  210.784  1003.50  221.915 -184.0955 306.0655 
1 1 1   -8   24   14 o  1192.99  166.548   22.979   6.0518   20.900   9.9807   24.188   7.6104  1114.24  284.942  1215.20  207.454 -100.9589 352.4616 
1 1 1   -8   24   16 o  960.420  191.268   15.188   5.5499   23.718   9.8431   11.212   6.7200  1188.06  270.637  827.087  243.259 360.9708 363.8947 
1 1 1   -8   24   18 o  703.640  280.544   4.4976   9.3010   4.4976   9.3010   0.0000   0.0000  703.640  280.544  ?   ?  0.000000 280.5444 
1 1 1   -8   24   20 o  735.246  189.108   8.9540   4.3784   9.7405   5.8226   7.9305   6.6421  770.620  226.373  723.378  245.639 47.24182 334.0408 
1 1 1   -8   24   22 o  1574.49  120.035   39.382   5.8733   35.643   7.7546   44.414   8.9949  1486.44  169.646  1659.62  175.766 -173.1794 244.2813 
1 1 1   -8   24   24 o  1848.28  117.159   54.232   6.7454   50.689   8.6603   59.696   10.755  1776.73  157.291  1921.89  180.851 -145.1554 239.6826 
1 1 1   -8   24   26 o  608.146  202.975   5.7343   4.5344   12.466   6.2413  -1.7905   6.5989  857.275  228.397  488.961  216.787 368.3140 314.8999 
1 1 1   -8   24   28 o  910.370  321.543   13.539   11.429   13.539   11.429   0.0000   0.0000  910.370  321.543  ?   ?  0.000000 321.5427 
1 1 1   -8   24   30 o  604.867  223.462   5.1118   5.5973   24.592   11.488  -0.9520   6.4095  1158.48  310.419  490.764  215.791 667.7207 378.0556 
1 1 1   -8   24   32 o  1356.17  179.685   30.752   7.4424   30.752   7.4424   0.0000   0.0000  1356.17  179.685  ?   ?  0.000000 179.6846 
1 1 1   -8   24   34 o  1069.13  343.564   22.695   13.049   22.695   13.049   0.0000   0.0000  1069.13  343.564  ?   ?  0.000000 343.5643 
1 1 1   -8   24   36 o  1153.94  219.492   23.712   7.6410   23.712   7.6410   0.0000   0.0000  1153.94  219.492  ?   ?  0.000000 219.4916 
1 1 1   -8   24   38 o  432.875  200.889  -3.9593   6.5200  -3.9593   6.5200   0.0000   0.0000  432.875  200.889  ?   ?  0.000000 200.8891 
1 1 1   -8   24   40 o  759.729  208.516   10.683   5.1108   14.213   7.4183   7.4936   7.0512  848.955  257.009  661.107  249.484 187.8480 358.1844 
1 1 1   -8   24   42 o  987.118  268.672   20.325   8.5268   20.325   8.5268   0.0000   0.0000  987.118  268.672  ?   ?  0.000000 268.6723 
1 1 1   -8   25    1 o  682.112  200.610   7.5113   4.5703   13.040   5.5853  -3.6910   7.9506  888.755  204.895  519.447  233.585 369.3077 310.7155 
1 1 1   -8   25    5 f  1184.87  257.913   23.329   9.2972   0.0000   0.0000   23.329   9.2972  ?   ?   1184.87  257.913 0.000000 257.9134 
1 1 1   -8   25    7 o  745.615  258.124   8.1095   7.3437   0.0000   0.0000   8.1095   7.3437  ?   ?   745.615  258.124 0.000000 258.1242 
1 1 1   -8   25    9 o  743.427  234.331   8.7372   6.0928   18.808   9.7463   2.2770   7.8062  1061.89  286.503  617.831  253.104 444.0612 382.2894 
1 1 1   -8   25   11 o  706.638  195.027   8.1756   4.4565   3.2733   5.7069   15.837   7.1342  570.495  222.075  976.245  235.991 -405.7505 324.0513 
1 1 1   -8   25   13 o  1091.31  147.563   19.143   4.9131   20.037   6.1282   17.535   8.2201  1109.79  182.710  1024.97  256.687 84.82507 315.0732 
1 1 1   -8   25   15 o  377.304  173.162  -3.3256   4.6553   7.5470   9.1790  -7.0905   5.4015  767.573  285.647  360.368  171.923 407.2052 333.3943 
1 1 1   -8   25   17 o  760.739  224.322   9.4395   5.7079  -3.7402   9.8517   16.099   7.0031  585.329  261.846  982.468  231.452 -397.1383 349.4755 
1 1 1   -8   25   19 o  848.771  211.960   11.996   5.6164   30.527   10.109   3.7222   6.7548  1354.89  247.393  613.138  240.773 741.7493 345.2174 
1 1 1   -8   25   21 f  720.368  200.699   8.5777   4.6955   7.7875   6.2026   9.6384   7.1864  710.000  237.392  780.034  255.299 -70.03412 348.6151 
1 1 1   -8   25   23 o  1239.58  195.702   25.295   7.3440   25.295   7.3440   0.0000   0.0000  1239.58  195.702  ?   ?  0.000000 195.7022 
1 1 1   -8   25   25 o  1502.51  131.432   36.153   6.1213   42.834   8.0810   27.159   9.3763  1627.95  160.622  1264.48  245.664 363.4717 293.5142 
1 1 1   -8   25   27 o  1289.41  143.488   26.908   5.6950   23.520   7.6390   31.147   8.5447  1181.05  214.462  1366.59  206.088 -185.5402 297.4328 
1 1 1   -8   25   29 o  724.736  236.365   8.6647   6.1620   14.244   12.008   6.6706   7.1792  923.109  329.214  683.523  252.967 239.5853 415.1793 
1 1 1   -8   25   31 o  348.690  170.547 -11.1267   6.2047  -1.4376   12.686 -14.1736   7.1137  670.402  298.714  360.589  177.615 309.8129 347.5301 
1 1 1   -8   25   33 o  643.373  216.097   6.7789   5.1400   3.8251   6.6876   11.042   8.0344  593.135  237.412  798.969  270.165 -205.8342 359.6576 
1 1 1   -8   25   35 o  558.156  230.502   2.6679   6.5402   2.6679   6.5402   0.0000   0.0000  558.156  230.502  ?   ?  0.000000 230.5016 
1 1 1   -8   25   37 o  852.147  257.599   13.550   7.4564   13.550   7.4564   0.0000   0.0000  852.147  257.599  ?   ?  0.000000 257.5987 
1 1 1   -8   25   39 o  446.891  212.171  -7.1931   8.0281  -7.1931   8.0281   0.0000   0.0000  446.891  212.171  ?   ?  0.000000 212.1713 
1 1 1   -8   25   41 o  692.328  274.376   8.1651   8.8472   8.1651   8.8472   0.0000   0.0000  692.328  274.376  ?   ?  0.000000 274.3764 
1 1 1   -8   26    2 f  1206.77  252.414   24.121   9.2313   24.121   9.2313   0.0000   0.0000  1206.77  252.414  ?   ?  0.000000 252.4144 
1 1 1   -8   26    4 o  976.797  182.388   15.582   5.3734   18.609   6.5104   9.1136   9.5166  1065.80  202.486  813.470  292.760 252.3285 355.9617 
1 1 1   -8   26    6 o  466.273  195.122   0.6308   4.7760   7.2624   5.7521 -14.0906   8.5701  690.729  228.518  427.090  206.969 263.6388 308.3127 
1 1 1   -8   26    8 f  1380.00  176.210   30.620   7.4404   35.849   10.873   26.015   10.204  1479.38  243.162  1250.19  268.662 229.1929 362.3635 
1 1 1   -8   26   10 o  459.375  204.773  -2.2826   5.9682  -0.8224   9.0337  -3.4136   7.9503  602.714  260.701  523.138  234.539 79.57562 350.6759 
1 1 1   -8   26   12 o  654.493  238.782   5.6474   6.3610   0.8436   9.8621   9.0695   8.3239  656.119  277.784  788.172  274.699 -132.0536 390.6703 
1 1 1   -8   26   14 o  583.106  210.682   4.5604   4.9346   8.3712   9.7583   3.2510   5.7199  797.877  294.997  569.503  222.150 228.3747 369.2882 
1 1 1   -8   26   16 o  813.360  209.643   10.979   5.3730   24.320   10.297   5.9881   6.2983  1200.49  279.210  660.818  238.132 539.6689 366.9673 
1 1 1   -8   26   18 o  1053.80  190.116   18.255   6.0425   14.337   10.904   19.991   7.2589  947.222  314.696  1096.97  218.999 -149.7495 383.3979 
1 1 1   -8   26   20 o  860.883  223.862   12.422   6.0910   25.434   11.714   7.5999   7.1308  1214.78  307.641  720.733  254.048 494.0489 398.9780 
1 1 1   -8   26   22 o  743.919  207.292   9.2130   5.0087   11.441   6.5829   6.1502   7.7185  827.242  240.044  693.521  261.178 133.7201 354.7326 
1 1 1   -8   26   24 o  1140.97  160.584   21.218   5.5784   19.073   7.3520   24.128   8.5640  1061.39  228.014  1193.79  237.462 -132.3976 329.2083 
1 1 1   -8   26   26 o  767.047  216.613   9.9220   5.4313   7.3330   7.2803   13.171   8.1560  708.526  255.917  879.979  270.114 -171.4534 372.0955 
1 1 1   -8   26   28 o  918.948  252.884   14.664   7.5056   14.664   7.5056   0.0000   0.0000  918.948  252.884  ?   ?  0.000000 252.8839 
1 1 1   -8   26   30 o  624.916  221.010   5.9002   5.4010   9.6032   7.3085   1.4445   8.0169  763.570  257.676  589.769  250.115 173.8018 359.1020 
1 1 1   -8   26   32 o  524.082  222.959   0.9180   6.4053 -12.9176   12.900   5.4455   7.3792  560.209  266.825  651.887  252.867 -91.67859 367.6107 
1 1 1   -8   26   34 o  803.146  255.298   11.367   7.2202  -1.1797   13.429   16.468   8.5633  681.136  305.136  948.614  273.353 -267.4784 409.6701 
1 1 1   -8   26   36 o  519.093  229.619  -0.7328   7.3620 -18.7375   15.027   4.9533   8.4448  560.396  272.149  652.746  264.834 -92.34991 379.7391 
1 1 1   -8   26   38 o  722.015  243.637   9.2474   6.5339   9.9518   9.5908   8.6373   8.9256  764.279  290.348  728.631  279.308 35.64777 402.8834 
1 1 1   -8   27    1 o  1042.85  272.851   18.137   9.0124   18.137   9.0124   0.0000   0.0000  1042.85  272.851  ?   ?  0.000000 272.8514 
1 1 1   -8   27    3 o  650.523  213.013   6.4882   5.0027   9.1690   5.8427  -0.8762   9.6839  754.714  228.001  623.630  269.834 131.0845 353.2628 
1 1 1   -8   27    5 o  368.442  172.606  -5.0232   5.0002  -2.9988   6.0289  -9.4842   8.9496  449.812  202.732  485.243  228.459 -35.43054 305.4406 
1 1 1   -8   27    7 o  610.179  220.198   5.0009   5.3881   2.0202   6.5872   11.027   9.3666  570.471  232.964  855.085  291.693 -284.6137 373.3052 
1 1 1   -8   27    9 o  731.646  221.033   8.6245   5.4911   9.3222   6.7813   7.2959   9.3578  770.257  247.689  766.589  287.797 3.667175 379.7060 
1 1 1   -8   27   11 o  509.006  222.542  -1.2762   6.7316  -3.2127   10.225   0.2054   8.9434  605.741  269.144  615.354  262.661 -9.612915 376.0708 
1 1 1   -8   27   13 o  942.407  210.403   14.738   6.0517   8.9806   11.295   17.056   7.1672  840.114  316.031  1011.51  231.319 -171.3918 391.6428 
1 1 1   -8   27   15 o  508.031  209.115   1.3969   5.3603 -10.1351   11.332   4.7207   6.0839  559.721  261.452  619.281  232.140 -59.55957 349.6368 
1 1 1   -8   27   17 o  653.917  228.103   6.2324   5.7401  -1.5770   10.872   9.2506   6.7589  645.455  282.492  763.988  247.448 -118.5326 375.5427 
1 1 1   -8   27   19 o  497.051  204.801   1.3530   5.1478 -11.0239   11.126   4.7243   5.8067  541.827  254.987  609.699  227.135 -67.87140 341.4795 
1 1 1   -8   27   21 o  486.003  210.027  -0.4102   5.8525  -3.6693   11.456   0.7409   6.8079  631.418  282.420  546.240  231.005 85.17780 364.8618 
1 1 1   -8   27   23 o  1010.99  190.376   16.969   5.8055   27.861   7.9274   4.3716   8.5257  1298.96  201.426  672.446  268.443 626.5116 335.6103 
1 1 1   -8   27   25 o  446.718  194.818  -0.7138   5.1300  -1.9749   7.2683   0.5381   7.2416  511.657  227.151  554.819  236.577 -43.16190 327.9728 
1 1 1   -8   27   27 o  905.559  211.426   13.934   5.8861   19.253   8.0449   7.8070   8.6349  1056.32  247.546  744.960  277.087 311.3601 371.5592 
1 1 1   -8   27   29 o  768.890  228.667   10.021   5.9110   6.6093   7.9469   14.246   8.8437  699.544  264.647  906.683  281.763 -207.1393 386.5597 
1 1 1   -8   27   31 o  695.033  232.356   7.8525   5.9422   13.944   8.0412   0.5248   8.8198  891.515  267.064  597.727  258.071 293.7876 371.3812 
1 1 1   -8   27   33 o  420.049  202.537 -10.9770   7.9626   0.0000   0.0000 -10.9770   7.9626  ?   ?   420.049  202.537 0.000000 202.5369 
1 1 1   -8   28    2 o  802.838  283.443   9.2634   8.8798   9.2634   8.8798   0.0000   0.0000  802.838  283.443  ?   ?  0.000000 283.4430 
1 1 1   -8   28    4 o  648.036  243.898   5.0545   6.7290   5.0545   6.7290   0.0000   0.0000  648.036  243.898  ?   ?  0.000000 243.8985 
1 1 1   -8   28    6 o  833.189  251.167   11.277   7.0960   11.277   7.0960   0.0000   0.0000  833.189  251.167  ?   ?  0.000000 251.1674 
1 1 1   -8   28    8 o  1129.40  182.417   20.753   6.2311   24.454   7.5921   13.114   10.907  1222.71  205.594  924.554  314.769 298.1605 375.9635 
1 1 1   -8   28   10 o  609.263  224.186   4.7874   5.6242   7.3043   6.8444  -0.4459   9.8693  711.025  249.020  634.199  273.408 76.82568 369.8147 
1 1 1   -8   28   12 o  654.559  230.833   6.0961   5.8878   0.6228   10.890   8.3566   6.9988  681.065  290.257  743.346  252.150 -62.28162 384.4846 
1 1 1   -8   28   14 o  326.368  156.060  -6.1126   4.5043 -14.7710   6.8018   0.6500   6.0112  348.976  172.232  516.910  217.750 -167.9341 277.6303 
1 1 1   -8   28   16 o  370.695  171.195  -3.6560   4.6509   2.4702   6.6893  -9.3883   6.4707  581.356  235.763  383.147  184.214 198.2091 299.1972 
1 1 1   -8   28   18 o  655.587  232.038   6.1498   5.9546   18.805   11.867   1.8907   6.8841  1057.01  326.040  574.441  236.779 482.5707 402.9467 
1 1 1   -8   28   20 o  647.365  236.980   5.6435   6.2729  -3.1054   12.353   8.6831   7.2815  666.078  295.901  752.989  257.184 -86.91168 392.0476 
1 1 1   -8   28   22 o  866.549  238.946   12.646   6.6931   25.550   12.947   7.9391   7.8191  1208.07  332.001  740.674  265.494 467.3932 425.1022 
1 1 1   -8   28   24 o  1045.69  210.900   18.328   6.6673   31.415   13.425   14.044   7.6815  1335.05  324.350  909.192  257.905 425.8558 414.3882 
1 1 1   -8   28   26 o  722.428  224.200   8.5761   5.6015   3.7494   8.3910   12.456   7.5232  653.509  264.392  858.645  258.569 -205.1360 369.8119 
1 1 1   -8   28   28 o  532.669  221.298   1.5509   6.0805   9.1401   10.273  -2.5419   7.5440  803.441  301.557  511.362  228.919 292.0790 378.6034 
1 1 1   -8   28   30 o  752.155  243.916   9.3602   6.5658   23.221   10.850   1.3517   8.2472  1137.85  300.187  597.956  253.640 539.8907 392.9957 
1 1 1   -8   28   32 o  641.573  265.216   3.2623   8.6711   0.0000   0.0000   3.2623   8.6711  ?   ?   641.573  265.216 0.000000 265.2159 
1 1 1   -8   29    1 o  477.965  203.841   0.0140   5.3779  -3.3577   7.0180   4.8103   8.3704  486.241  218.980  687.293  268.560 -201.0515 346.5211 
1 1 1   -8   29    3 o  855.598  238.260   12.081   6.6192   11.372   9.6722   12.706   9.0779  867.146  296.411  893.344  286.506 -26.19836 412.2439 
1 1 1   -8   29    5 o  725.270  229.008   8.3259   5.8172   11.625   7.3907   2.9537   9.4310  846.263  256.604  679.787  278.310 166.4753 378.5527 
1 1 1   -8   29    7 o  374.084  183.405 -14.3191   7.3051 -14.3191   7.3051   0.0000   0.0000  374.084  183.405  ?   ?  0.000000 183.4047 
1 1 1   -8   29    9 o  1095.39  234.978   19.949   7.8180   19.949   7.8180   0.0000   0.0000  1095.39  234.978  ?   ?  0.000000 234.9780 
1 1 1   -8   29   11 o  523.533  230.027  -1.6453   7.2710  -1.6453   7.2710   0.0000   0.0000  523.533  230.027  ?   ?  0.000000 230.0272 
1 1 1   -8   29   13 o  487.781  219.406  -3.2022   7.0202  -3.2022   7.0202   0.0000   0.0000  487.781  219.406  ?   ?  0.000000 219.4058 
1 1 1   -8   29   15 o  617.742  218.330   5.4003   5.2700  -0.4021   7.5363   10.953   7.3722  554.308  238.942  823.352  257.485 -269.0441 351.2715 
1 1 1   -8   29   17 o  676.802  223.454   7.0839   5.5009   14.856   8.0363   0.2316   7.5458  941.512  262.651  565.545  241.331 375.9676 356.6880 
1 1 1   -8   29   19 o  725.549  247.089   8.0033   6.7209   7.5147   12.422   8.2055   7.9918  829.285  326.232  754.137  268.612 75.14832 422.5869 
1 1 1   -8   29   21 f  417.644  194.267  -5.3035   6.1528  -9.1884   12.477  -4.0553   7.0725  601.864  278.814  474.954  216.248 126.9102 352.8463 
1 1 1   -8   29   23 o  749.767  245.416   8.9427   6.6407   15.493   13.114   6.6836   7.7011  986.956  344.750  706.683  261.907 280.2739 432.9527 
1 1 1   -8   29   25 o  637.167  253.220   3.9668   7.5549   0.0000   0.0000   3.9668   7.5549  ?   ?   637.167  253.220 0.000000 253.2196 
1 1 1   -8   29   27 o  603.064  247.176   2.6183   7.4494   0.0000   0.0000   2.6183   7.4494  ?   ?   603.064  247.176 0.000000 247.1760 
1 1 1   -8   29   29 o  672.635  252.573   6.0322   7.2081   39.241   15.427  -3.2434   8.1528  1471.78  341.361  523.143  235.771 948.6384 414.8677 
1 1 1   -8   30    2 o  920.346  215.508   14.038   6.1012   6.1130   7.8314   26.275   9.7318  703.647  263.453  1257.56  255.848 -553.9147 367.2412 
1 1 1   -8   30    4 o  706.881  249.036   7.1109   6.8513   12.733   10.299   2.6473   9.1765  909.163  305.884  667.050  273.978 242.1136 410.6439 
1 1 1   -8   30    6 o  442.084  204.940  -5.6452   6.7587   6.1043   11.100 -12.5676   8.5202  782.716  308.239  437.975  210.771 344.7411 373.4108 
1 1 1   -8   30    8 o  680.541  233.673   6.8225   6.0124   7.5591   7.7177   5.6853   9.5894  736.890  263.806  737.479  287.649 -0.5892334 390.3025 
1 1 1   -8   30   10 o  805.393  231.018   10.644   6.1289   3.3675   8.1292   20.228   9.3295  649.085  261.063  1097.84  272.636 -448.7554 377.4708 
1 1 1   -8   30   12 o  914.185  222.052   13.901   6.2932   7.1401   8.6308   21.577   9.1960  745.489  277.073  1134.27  263.888 -388.7846 382.6311 
1 1 1   -8   30   14 o  905.216  279.771   13.353   8.7326   13.353   8.7326   0.0000   0.0000  905.216  279.771  ?   ?  0.000000 279.7712 
1 1 1   -8   30   16 o  412.144  198.128 -10.8038   7.4786 -10.8038   7.4786   0.0000   0.0000  412.144  198.128  ?   ?  0.000000 198.1281 
1 1 1   -8   30   18 o  725.970  292.099   4.5290   10.181   4.5290   10.181   0.0000   0.0000  725.970  292.099  ?   ?  0.000000 292.0995 
1 1 1   -8   30   20 o  675.791  267.613   4.4276   8.4103   0.0000   0.0000   4.4276   8.4103  ?   ?   675.791  267.613 0.000000 267.6128 
1 1 1   -8   30   22 o  592.072  251.223   0.7346   8.0948   0.0000   0.0000   0.7346   8.0948  ?   ?   592.072  251.223 0.000000 251.2229 
1 1 1   -8   30   24 o  563.816  235.729   1.3388   6.9620 -14.4450   13.739   6.7922   8.0756  590.025  279.375  717.865  267.774 -127.8400 386.9801 
1 1 1   -8   30   26 o  524.608  219.578   1.1058   6.0500   3.9993   9.0799  -1.2045   8.1135  679.759  275.024  556.590  243.807 123.1685 367.5322 
1 1 1   -8   31    1 o  745.516  242.815   8.6188   6.5037   9.5714   8.4286   7.2169   10.225  803.787  276.632  785.628  299.469 18.15900 407.6849 
1 1 1   -8   31    3 o  723.257  242.026   7.9215   6.4472   4.8377   8.4446   12.231   9.9826  690.944  269.814  894.005  301.150 -203.0615 404.3400 
1 1 1   -8   31    5 o  1106.83  298.839   20.503   10.599   0.0000   0.0000   20.503   10.599  ?   ?   1106.83  298.839 0.000000 298.8386 
1 1 1   -8   31    7 o  556.873  225.660   2.1514   6.1233   13.556   8.3503 -11.1141   9.0060  911.001  271.978  470.579  223.800 440.4216 352.2196 
1 1 1   -8   31    9 o  626.497  261.185   1.5759   8.5120   1.5759   8.5120   0.0000   0.0000  626.497  261.185  ?   ?  0.000000 261.1848 
1 1 1   -8   31   11 o  811.893  250.022   10.611   6.9814   11.880   9.0195   8.7143   11.027  871.149  286.055  831.911  312.388 39.23804 423.5728 
1 1 1   -8   31   13 o  625.345  239.149   4.4055   6.5338  -0.8119   8.7193   11.087   9.8674  590.931  255.863  862.594  299.173 -271.6627 393.6630 
1 1 1   -8   31   15 o  645.950  254.412   4.0249   7.5628   1.8981   11.505   5.6434   10.036  719.021  301.976  746.414  293.362 -27.39276 421.0118 
1 1 1   -8   31   17 o  375.031  185.124 -17.0999   7.8706   0.0000   0.0000 -17.0999   7.8706  ?   ?   375.031  185.124 0.000000 185.1238 
1 1 1   -8   31   19 o  1229.04  329.619   25.896   12.946   25.896   12.946   0.0000   0.0000  1229.04  329.619  ?   ?  0.000000 329.6194 
1 1 1   -8   31   21 o  1225.86  374.879   25.851   15.726   25.851   15.726   0.0000   0.0000  1225.86  374.879  ?   ?  0.000000 374.8788 
1 1 1   -8   32    2 o  521.724  224.514  -0.4352   6.6309   1.5562   8.5870  -3.3766   10.436  629.660  262.404  612.590  272.062 17.07043 377.9866 
1 1 1   -8   32    4 o  490.447  225.175  -5.5758   7.8823  -9.6039   13.168  -3.3266   9.8399  626.938  289.018  593.231  263.788 33.70667 391.2997 
1 1 1   -8   32    6 o  532.426  234.415  -1.9371   7.5851   14.984   11.510 -14.9284   10.085  978.505  323.230  475.922  229.100 502.5829 396.1880 
1 1 1   -8   32    8 o  1447.99  176.570   33.676   7.8399   38.657   9.7415   24.519   13.208  1546.29  206.345  1207.97  336.635 338.3149 394.8431 
1 1 1   -8   32   10 o  583.515  238.478   2.0896   6.9095   6.9211   8.5955  -6.7341   11.616  741.720  276.341  608.524  277.091 133.1961 391.3352 
1 1 1   -8   32   12 f  730.665  309.289   1.2318   12.222   1.2318   12.222   0.0000   0.0000  730.665  309.289  ?   ?  0.000000 309.2891 
1 1 1   -7    0    1 o  5143.37   20.556  414.212   3.3104  414.212   3.3104  414.212   3.3104  5143.37   20.556  5143.37   20.556 -0.000000 0.000000 
1 1 1   -7    0    3 o  2898.27   33.556  131.580   3.0444  131.580   3.0444  131.580   3.0444  2898.27   33.556  2898.27   33.556 -0.000000 0.000000 
1 1 1   -7    0    5 o  301.382  110.686   1.9010   0.9654   1.9010   0.9654   1.9010   0.9654  301.382  110.686  301.382  110.686 -0.000000 0.000000 
1 1 1   -7    0    7 o  2137.61  108.734   72.183   7.2350   72.183   7.2350   72.183   7.2350  2137.61  108.734  2137.61  108.734 -0.000000 0.000000 
1 1 1   -7    0    9 o  867.351   95.026   12.208   2.5020   12.208   2.5020   12.208   2.5020  867.351   95.026  867.351   95.026 -0.000000 0.000000 
1 1 1   -7    0   11 o  2158.29  109.422   73.609   7.3515   73.609   7.3515   73.609   7.3515  2158.29  109.422  2158.29  109.422 -0.000000 0.000000 
1 1 1   -7    0   13 o  909.693   94.727   13.392   2.6313   13.392   2.6313   13.392   2.6313  909.693   94.727  909.693   94.727 -0.000000 0.000000 
1 1 1   -7    0   15 o  432.988  123.946   3.5784   1.4567   3.5784   1.4567   3.5784   1.4567  432.988  123.946  432.988  123.946 -0.000000 0.000000 
1 1 1   -7    0   17 o  537.597  172.102   5.7513   2.5544   5.7513   2.5544   5.7513   2.5544  537.597  172.102  537.597  172.102 -0.000000 0.000000 
1 1 1   -7    0   19 o  342.787  159.034   2.7030   1.8898   2.7030   1.8898   2.7030   1.8898  342.787  159.034  342.787  159.034 -0.000000 0.000000 
1 1 1   -7    0   23 o  901.206   99.228   13.215   2.7135   13.215   2.7135   13.215   2.7135  901.206   99.228  901.206   99.228 -0.000000 0.000000 
1 1 1   -7    0   25 o  1251.29   99.048   25.073   3.8249   25.073   3.8249   25.073   3.8249  1251.29   99.048  1251.29   99.048 -0.000000 0.000000 
1 1 1   -7    0   27 o  564.499  127.830   5.7270   1.9704   5.7270   1.9704   5.7270   1.9704  564.499  127.830  564.499  127.830 -0.000000 0.000000 
1 1 1   -7    0   29 o  1589.44  102.370   40.335   5.0464   40.335   5.0464   40.335   5.0464  1589.44  102.370  1589.44  102.370 -0.000000 0.000000 
1 1 1   -7    0   31 o  815.230  105.990   11.007   2.5793   11.007   2.5793   11.007   2.5793  815.230  105.990  815.230  105.990 -0.000000 0.000000 
1 1 1   -7    0   33 o  2979.83  186.409  144.711   17.237  144.711   17.237  144.711   17.237  2979.83  186.409  2979.83  186.409 -0.000000 0.000000 
1 1 1   -7    0   39 o  4061.07  230.638  275.344   29.112  275.344   29.112  275.344   29.112  4061.07  230.638  4061.07  230.638 -0.000000 0.000000 
1 1 1   -7    0   41 o  1706.39  155.925   47.720   8.1713   47.720   8.1713   47.720   8.1713  1706.39  155.925  1706.39  155.925 -0.000000 0.000000 
1 1 1   -7    0   43 o  417.472  205.146   4.1543   3.1945   4.1543   3.1945   4.1543   3.1945  417.472  205.146  417.472  205.146 -0.000000 0.000000 
1 1 1   -7    0   45 o  3864.79  220.962  246.068   26.540  246.068   26.540  246.068   26.540  3864.79  220.962  3864.79  220.962 -0.000000 0.000000 
1 1 1   -7    0   47 o  691.908  210.712   9.5404   3.9866   9.5404   3.9866   9.5404   3.9866  691.908  210.712  691.908  210.712 -0.000000 0.000000 
1 1 1   -7    0   49 o  510.221  221.857   6.0261   3.6709   6.0261   3.6709   6.0261   3.6709  510.221  221.857  510.221  221.857 -0.000000 0.000000 
1 1 1   -7    0   51 o  1262.23  163.809   26.777   6.1734   26.777   6.1734   26.777   6.1734  1262.23  163.809  1262.23  163.809 -0.000000 0.000000 
1 1 1   -7    0   53 o  598.712  228.296   7.9416   4.0312   7.9416   4.0312   7.9416   4.0312  598.712  228.296  598.712  228.296 -0.000000 0.000000 
1 1 1   -7    0   55 o  3244.13  204.049  177.768   20.540  177.768   20.540  177.768   20.540  3244.13  204.049  3244.13  204.049 -0.000000 0.000000 
1 1 1   -7    0   57 o  2979.47  196.054  150.954   18.109  150.954   18.109  150.954   18.109  2979.47  196.054  2979.47  196.054 -0.000000 0.000000 
1 1 1   -7    0   61 o  1658.05  167.764   47.142   8.5055   47.142   8.5055   47.142   8.5055  1658.05  167.764  1658.05  167.764 -0.000000 0.000000 
1 1 1   -7    0   63 f  769.172  234.724   12.562   4.9384   12.562   4.9384   12.562   4.9384  769.172  234.724  769.172  234.724 -0.000000 0.000000 
1 1 1   -7    1    2 o  148.494   60.001   0.1431   0.4316  -0.0826   0.6351   0.3367   0.5882  160.326   69.236  184.737   71.469 -24.41084 99.50551 
1 1 1   -7    1    4 o  290.996   86.765   1.3419   0.8502   1.0411   1.2039   1.6413   1.2009  285.831  103.941  326.999  104.136 -41.16818 147.1330 
1 1 1   -7    1    6 o  4264.20  103.930  285.348   13.877  241.270   19.613  329.532   19.637  3914.80  160.001  4578.53  136.971 -663.7334 210.6213 
1 1 1   -7    1    8 o  6611.27  159.008  688.385   32.917  676.771   46.551  700.000   46.552  6535.07  227.490  6647.62  223.644 -112.5498 319.0118 
1 1 1   -7    1   10 o  917.011   65.090   13.247   1.8569   13.379   2.6287   13.116   2.6233  918.702   92.646  909.436   93.448 9.266357 131.5896 
1 1 1   -7    1   12 o  965.935   65.131   14.695   1.9584   13.127   2.7592   16.287   2.7802  908.886   98.529  1014.79   88.379 -105.9028 132.3589 
1 1 1   -7    1   14 o  937.920   75.722   13.897   2.2049   13.389   2.7088   14.894   3.7955  917.996   95.642  963.439  129.057 -45.44342 160.6331 
1 1 1   -7    1   16 o  7144.70  197.931  817.537   44.281  836.617   54.239  779.405   76.677  7188.83  240.957  6792.57  361.813 396.2637 434.7059 
1 1 1   -7    1   18 o  3098.30  130.326  152.181   12.644  145.084   17.895  159.256   17.867  2998.05  191.624  3146.08  182.147 -148.0225 264.3804 
1 1 1   -7    1   20 o  564.810  104.439   5.1972   1.7790   6.6256   2.5590   3.8611   2.4750  634.302  133.086  490.216  148.460 144.0860 199.3802 
1 1 1   -7    1   22 o  3004.68  127.938  143.573   12.037   0.0000   0.0000  143.573   12.037  ?   ?   3004.68  127.938 0.000000 127.9379 
1 1 1   -7    1   24 o  4666.55  140.729  348.921   20.563  334.681   35.625  356.037   25.182  4447.56  256.902  4687.90  171.553 -240.3477 308.9162 
1 1 1   -7    1   26 o  1440.64   69.661   32.747   3.1424   33.102   4.4560   32.397   4.4322  1439.37   99.478  1423.72  100.056 15.65527 141.0922 
1 1 1   -7    1   28 o  1993.36   87.627   63.288   5.4694   64.515   6.7075   60.853   9.4483  2001.41  107.424  1912.07  159.258 89.34119 192.1013 
1 1 1   -7    1   30 o  3025.68  132.583  150.701   12.561  143.603   17.770  157.791   17.758  2861.80  199.549  3016.86  188.942 -155.0618 274.8069 
1 1 1   -7    1   32 o  4313.80  173.213  321.144   23.397  303.156   33.082  339.146   33.094  3935.07  270.123  4217.87  251.723 -282.8005 369.2308 
1 1 1   -7    1   34 o  1558.88  154.680   42.031   7.4506   0.0000   0.0000   42.031   7.4506  ?   ?   1558.88  154.680 0.000000 154.6796 
1 1 1   -7    1   36 o  1724.92  107.046   49.492   5.7531   49.492   5.7531   0.0000   0.0000  1724.92  107.046  ?   ?  0.000000 107.0457 
1 1 1   -7    1   38 o  1712.44  166.720   54.040   8.8263   54.040   8.8263   0.0000   0.0000  1712.44  166.720  ?   ?  0.000000 166.7203 
1 1 1   -7    1   40 f  794.945  174.134   12.080   4.2146   12.080   4.2146   0.0000   0.0000  794.945  174.134  ?   ?  0.000000 174.1342 
1 1 1   -7    1   42 o  1147.34  108.869   22.288   3.8644   24.498   5.5780   20.248   5.3588  1158.12  157.936  1039.99  170.468 118.1271 232.3855 
1 1 1   -7    1   44 o  3040.49  142.883  165.140   13.603  151.169   19.243  179.096   19.233  2644.28  234.852  2964.89  208.489 -320.6099 314.0431 
1 1 1   -7    1   46 o  2304.51  125.322   93.953   9.0092   92.478   12.793   95.404   12.690  2123.42  194.567  2172.55  188.403 -49.13354 270.8358 
1 1 1   -7    1   48 o  2376.76  128.965  102.450   9.5619  102.981   13.581  101.927   13.465  2183.07  200.934  2174.65  199.979 8.417480 283.4890 
1 1 1   -7    1   50 o  1594.56  115.805   45.875   5.7426   48.417   8.2197   43.451   8.0264  1514.89  176.598  1417.83  185.218 97.05359 255.9156 
1 1 1   -7    1   52 o  1748.42  123.095   59.016   6.6961   62.041   9.4780   56.000   9.4614  1589.89  194.437  1462.75  212.810 127.1379 288.2601 
1 1 1   -7    1   54 o  1814.62  136.285   74.196   7.6872   82.530   10.963   66.137   10.782  1520.48  238.085  1167.39  294.870 353.0905 378.9893 
1 1 1   -7    1   56 o  292.120  130.774   2.2058   2.4621  -3.2633   3.6771   6.6504   3.3148  232.948  116.802  395.629  163.799 -162.6804 201.1787 
1 1 1   -7    1   58 o  638.426  181.678   17.357   3.8055   16.145   5.4899   18.479   5.2799  376.546  177.781  429.405  191.922 -52.85962 261.6106 
1 1 1   -7    1   60 o  ?   ?    77.047   11.358   0.0000   0.0000   77.047   11.358  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    1   62 o  ?   ?   201.048   22.702   0.0000   0.0000  201.048   22.702  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    2    1 o  239.100   80.200   0.8378   0.7080   0.5435   1.0025   1.1306   0.9999  239.133   93.079  280.058   95.306 -40.92468 133.2178 
1 1 1   -7    2    3 o  366.998   87.912   2.1972   0.9970   0.4445   1.3916   4.0452   1.4289  265.579  107.593  499.608   94.809 -234.0289 143.4050 
1 1 1   -7    2    5 o  4682.87  135.462  344.694   19.863  325.895   34.386  354.109   24.334  4527.15  243.464  4742.04  163.879 -214.8931 293.4807 
1 1 1   -7    2    7 o  3228.18   92.743  163.480   9.3746  153.955   13.254  173.016   13.261  3129.22  135.271  3318.04  127.639 -188.8262 185.9834 
1 1 1   -7    2    9 o  1296.25   66.897   26.408   2.7060   26.232   3.8266   26.583   3.8272  1289.36   95.460  1298.09   94.814 -8.724609 134.5448 
1 1 1   -7    2   11 o  3028.70  104.062  144.100   9.8688  141.667   12.091  148.956   17.083  3000.36  128.694  3064.20  178.818 -63.84155 220.3133 
1 1 1   -7    2   13 f  1025.06   76.784   16.582   2.4467   14.255   3.0015   21.189   4.2238  946.687  102.912  1154.12  118.565 -207.4344 156.9982 
1 1 1   -7    2   15 o  732.998   77.295   8.5316   1.7473   8.9939   2.1559   7.6465   2.9829  750.418   93.800  682.517  144.099 67.90076 171.9388 
1 1 1   -7    2   17 o  2285.01   78.283   82.087   5.6011   81.149   7.9192   83.025   7.9231  2267.07  111.557  2293.35  110.334 -26.27661 156.9029 
1 1 1   -7    2   19 o  1153.56   78.225   21.031   2.8089   21.952   3.4307   19.159   4.8922  1176.28   93.927  1087.38  147.487 88.89551 174.8563 
1 1 1   -7    2   21 o  1413.32   80.519   31.555   3.5486   28.684   6.1734   32.971   4.3366  1332.12  150.648  1442.02   96.601 -109.8992 178.9591 
1 1 1   -7    2   23 o  1886.41   83.569   56.127   4.9362   66.018   8.6068   51.279   6.0258  2029.22  136.246  1795.63  107.668 233.5883 173.6529 
1 1 1   -7    2   25 o  2371.25  114.925   89.643   8.5331   87.140   12.102   92.117   12.034  2308.77  168.566  2377.53  162.618 -68.75952 234.2208 
1 1 1   -7    2   27 o  1015.74  140.045   17.046   4.3357   0.0000   0.0000   17.046   4.3357  ?   ?   1015.74  140.045 0.000000 140.0453 
1 1 1   -7    2   29 o  1853.81  106.191   55.564   6.1384   56.944   8.6982   54.194   8.6640  1846.91  151.748  1798.87  155.340 48.03821 217.1587 
1 1 1   -7    2   31 o  1262.36   99.892   25.881   3.9162   24.289   5.5079   27.509   5.5695  1196.15  150.379  1279.40  141.387 -83.24158 206.4077 
1 1 1   -7    2   33 o  616.503   90.371   6.2467   1.6927   6.2347   2.0543   6.2721   2.9876  608.705  111.904  595.290  157.747 13.41541 193.4080 
1 1 1   -7    2   35 o  2271.88   93.839   84.057   6.6755   86.214   8.1918   79.794   11.517  2276.15  115.314  2109.00  176.011 167.1509 210.4219 
1 1 1   -7    2   37 o  2626.30   99.860  114.179   8.2121  119.096   10.074  104.437   14.179  2648.01  121.492  2335.22  195.719 312.7839 230.3613 
1 1 1   -7    2   39 o  2287.34  119.662   89.437   8.5407   89.437   8.5407   0.0000   0.0000  2287.34  119.662  ?   ?  0.000000 119.6621 
1 1 1   -7    2   41 o  2807.23  130.998  136.283   11.515  136.283   11.515   0.0000   0.0000  2807.23  130.998  ?   ?  0.000000 130.9978 
1 1 1   -7    2   43 o  3013.11  230.615  190.827   21.593  190.827   21.593   0.0000   0.0000  3013.11  230.615  ?   ?  0.000000 230.6150 
1 1 1   -7    2   45 o  4607.94  220.573  453.140   31.826  452.661   45.058  453.617   44.959  3646.53  401.253  3664.51  398.224 -17.97363 565.3195 
1 1 1   -7    2   47 o  644.798  141.170   7.8345   2.7712   7.4681   4.1613   8.1265   3.7149  585.052  194.405  623.293  180.169 -38.24127 265.0551 
1 1 1   -7    2   49 o  1292.20  111.523   29.529   4.4682   36.157   6.5694   23.823   6.0953  1357.92  157.421  1052.34  192.054 305.5773 248.3271 
1 1 1   -7    2   51 o  1474.48  116.508   40.058   5.3353   44.216   7.6943   36.207   7.4046  1421.83  176.631  1249.19  195.730 172.6315 263.6450 
1 1 1   -7    2   53 o  1314.06  121.382   34.741   4.9380   43.674   7.2150   26.870   6.7727  1318.33  179.443  889.356  238.360 428.9793 298.3538 
1 1 1   -7    2   55 o  1203.66  134.604   34.497   4.9863   39.869   7.2405   29.651   6.8770  977.412  238.650  733.475  249.941 243.9366 345.5779 
1 1 1   -7    2   57 o  1303.51  160.280   53.388   6.4042   54.426   9.2634   52.438   8.8635  619.552  265.959  653.068  268.870 -33.51624 378.1862 
1 1 1   -7    2   59 f  1021.22  216.724   55.676   6.7156   46.118   9.6562   64.630   9.3460  350.772  177.442  496.301  233.605 -145.5290 293.3543 
1 1 1   -7    2   61 f  ?   ?   106.415   14.049   0.0000   0.0000  106.415   14.049  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    2   63 o  338.046  171.208   93.241   9.1670   93.527   13.113   92.968   12.820  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    3    2 o  2416.36   80.937   91.545   6.1239   90.569   8.6608   92.522   8.6602  2401.67  115.166  2427.50  113.933 -25.82544 162.0000 
1 1 1   -7    3    4 o  5050.99  123.757  400.795   19.573  411.640   27.683  389.953   27.678  5110.58  172.992  4973.22  177.740 137.3643 248.0280 
1 1 1   -7    3    6 o  1237.90   65.698   24.083   2.5374   24.208   3.5878   23.959   3.5892  1238.71   93.182  1232.24   93.724 6.475464 132.1630 
1 1 1   -7    3    8 o  6618.55  161.042  690.485   33.375  682.227   47.199  698.744   47.199  6555.92  229.923  6635.89  227.154 -79.97070 323.2083 
1 1 1   -7    3   10 f  1411.67   78.184   31.354   3.4425   31.997   4.2257   30.085   5.9357  1424.43   95.292  1375.14  139.793 49.29370 169.1822 
1 1 1   -7    3   12 o  3827.72  120.933  230.680   14.494  231.904   17.762  228.238   25.077  3832.53  148.010  3779.62  212.754 52.90601 259.1742 
1 1 1   -7    3   14 o  3317.02   95.526  173.043   9.9217  177.778   14.038  168.316   14.025  3354.84  133.634  3263.55  137.242 91.28345 191.5556 
1 1 1   -7    3   16 o  4671.62  119.256  344.763   17.445  343.631   24.675  345.895   24.666  4642.70  169.737  4658.29  169.102 -15.58496 239.5960 
1 1 1   -7    3   18 o  1058.21   78.696   17.710   2.5890   18.802   3.1649   15.502   4.5010  1088.29   93.792  975.500  152.336 112.7866 178.8942 
1 1 1   -7    3   20 o  453.115   88.317   3.3455   1.2080   2.9088   1.4931   4.1731   2.0555  421.360  111.451  503.312  129.634 -81.95218 170.9571 
1 1 1   -7    3   22 o  1201.98   95.532   22.961   3.5659   25.959   5.1234   20.145   4.9661  1270.73  130.622  1113.92  145.884 156.8147 195.8173 
1 1 1   -7    3   24 o  701.333  142.737   8.1622   3.0280   0.0000   0.0000   8.1622   3.0280  ?   ?   701.333  142.737 0.000000 142.7366 
1 1 1   -7    3   26 o  2575.03  172.952  109.511   13.864   0.0000   0.0000  109.511   13.864  ?   ?   2575.03  172.952 0.000000 172.9522 
1 1 1   -7    3   28 o  3025.02  193.087  156.211   18.194   0.0000   0.0000  156.211   18.194  ?   ?   3025.02  193.087 0.000000 193.0867 
1 1 1   -7    3   30 o  2039.16   88.919   66.613   5.6776   63.199   6.9569   73.423   9.8247  1969.47  113.288  2092.30  150.976 -122.8324 188.7530 
1 1 1   -7    3   32 o  1526.67   83.362   37.452   3.9699   33.490   4.8566   45.432   6.8921  1430.24  109.270  1649.10  134.646 -218.8651 173.4054 
1 1 1   -7    3   34 o  1900.08   87.471   58.293   5.2042   61.054   6.3916   52.862   8.9642  1928.19  106.273  1735.86  166.984 192.3240 197.9332 
1 1 1   -7    3   36 o  749.758   88.172   9.2650   2.0305   10.313   2.5275   7.3583   3.4097  783.354  105.743  628.556  169.406 154.7975 199.7001 
1 1 1   -7    3   38 o  5295.20  178.277  523.010   29.559  528.558   36.217  511.939   51.158  5069.90  228.136  4056.75  408.280 1013.147 467.6951 
1 1 1   -7    3   40 o  1331.18   83.430   29.002   3.4600   29.963   4.2649   27.152   5.9179  1338.55  102.534  1222.43  158.325 116.1151 188.6267 
1 1 1   -7    3   42 o  1414.38  107.731   33.671   4.7353   33.671   4.7353   0.0000   0.0000  1414.38  107.731  ?   ?  0.000000 107.7312 
1 1 1   -7    3   44 o  4554.33  205.569  417.955   29.316  417.955   29.316   0.0000   0.0000  4554.33  205.569  ?   ?  0.000000 205.5687 
1 1 1   -7    3   46 o  663.419  192.618   9.3157   4.2376   9.3157   4.2376   0.0000   0.0000  663.419  192.618  ?   ?  0.000000 192.6180 
1 1 1   -7    3   48 o  3015.69  148.075  171.150   13.983  173.749   19.879  168.604   19.672  2707.03  236.902  2659.97  238.723 47.06836 336.3199 
1 1 1   -7    3   50 o  1735.43  116.252   54.324   6.2807   57.874   9.0925   51.084   8.6859  1653.17  178.482  1542.38  183.448 110.7927 255.9468 
1 1 1   -7    3   52 o  1944.19  128.362   74.407   7.7703   73.871   11.137   74.916   10.846  1644.62  221.935  1696.60  208.561 -51.97571 304.5539 
1 1 1   -7    3   54 o  2057.00  147.095  100.589   9.4118  107.273   13.478   94.227   13.149  1522.82  293.290  1308.05  322.967 214.7688 436.2645 
1 1 1   -7    3   56 o  1216.78  139.339   38.459   5.2131   48.276   7.6841   30.088   7.0960  983.728  249.182  602.120  243.298 381.6078 348.2604 
1 1 1   -7    3   58 o  470.324  231.844   83.835   12.198   83.835   12.198   0.0000   0.0000  470.324  231.844  ?   ?  0.000000 231.8444 
1 1 1   -7    3   60 o  464.695  234.976  217.342   16.804  235.519   23.925  199.642   23.609  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    3   62 o  ?   ?   136.205   16.762   0.0000   0.0000  136.205   16.762  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    4    1 o  4524.01  114.674  321.454   16.245  309.523   22.971  333.390   22.976  4431.62  165.536  4600.40  159.499 -168.7778 229.8744 
1 1 1   -7    4    3 o  2351.75   78.889   86.720   5.8093   90.803   8.2170   82.640   8.2141  2404.82  109.122  2293.87  114.360 110.9519 158.0692 
1 1 1   -7    4    5 o  1647.07   68.223   42.522   3.5185   45.328   4.9774   39.720   4.9745  1697.06   94.035  1587.61  100.585 109.4531 137.6955 
1 1 1   -7    4    7 o  5366.31  155.681  453.845   26.159  451.853   32.048  457.824   45.282  5345.50  191.470  5347.56  271.316 -2.068359 332.0742 
1 1 1   -7    4    9 o  885.752   73.296   12.388   2.0146   14.082   2.4835   9.1290   3.4452  943.499   84.973  747.482  152.364 196.0170 174.4570 
1 1 1   -7    4   11 o  725.264   65.702   8.3164   1.4759   8.4065   2.0900   8.2268   2.0845  725.504   94.225  717.433   95.135 8.070862 133.8990 
1 1 1   -7    4   13 o  1063.65   77.329   17.857   2.5578   16.654   3.1412   20.225   4.4066  1024.20   99.190  1125.15  127.318 -100.9448 161.3956 
1 1 1   -7    4   15 o  1314.56   76.698   27.243   3.1433   29.146   3.8702   23.554   5.3880  1357.93   91.555  1210.57  145.029 147.3589 171.5099 
1 1 1   -7    4   17 o  1258.89   77.342   25.012   3.0340   26.485   3.7331   22.146   5.2072  1293.35   92.796  1171.97  144.989 121.3838 172.1421 
1 1 1   -7    4   19 o  1101.59   77.037   19.181   2.6405   19.392   3.2519   18.773   4.5242  1104.97   94.908  1078.72  137.034 26.25403 166.6908 
1 1 1   -7    4   21 o  2039.31  153.884   66.871   9.7540   0.0000   0.0000   66.871   9.7540  ?   ?   2039.31  153.884 0.000000 153.8837 
1 1 1   -7    4   23 o  3612.95  208.581  214.941   23.497   0.0000   0.0000  214.941   23.497  ?   ?   3612.95  208.581 0.000000 208.5815 
1 1 1   -7    4   25 o  2269.93  162.348   84.276   11.463   0.0000   0.0000   84.276   11.463  ?   ?   2269.93  162.348 0.000000 162.3482 
1 1 1   -7    4   27 o  1907.58  106.630   58.494   6.3436   59.842   9.0364   57.184   8.9074  1903.81  152.873  1859.91  154.343 43.90747 217.2371 
1 1 1   -7    4   29 o  2362.35  114.186   90.438   8.4465   97.726   12.017   83.322   11.875  2412.48  159.987  2214.76  172.590 197.7202 235.3359 
1 1 1   -7    4   31 o  3220.96  136.405  171.863   13.757  180.888   19.524  162.963   19.388  3209.64  195.191  3028.09  205.703 181.5518 283.5725 
1 1 1   -7    4   33 o  2784.68  103.058  126.174   8.9862  125.798   11.020  126.920   15.524  2752.63  127.858  2676.37  186.404 76.25659 226.0401 
1 1 1   -7    4   35 o  1188.00   84.161   22.924   3.1105   21.531   3.8584   25.509   5.2567  1137.00  109.740  1216.04  140.649 -79.04443 178.3953 
1 1 1   -7    4   37 o  1188.18   84.544   23.092   3.1249   23.355   3.8936   22.617   5.2384  1180.41  106.489  1124.19  152.769 56.22070 186.2210 
1 1 1   -7    4   39 o  1770.27   89.867   51.499   4.9651   49.611   6.1118   55.162   8.5146  1712.38  114.649  1750.75  156.986 -38.36938 194.3940 
1 1 1   -7    4   41 o  3966.98  133.234  271.494   16.550  271.950   20.293  270.589   28.599  3867.61  167.564  3524.88  260.967 342.7288 310.1316 
1 1 1   -7    4   43 o  2233.33   96.975   82.658   6.7816   80.205   8.3295   87.480   11.679  2160.42  123.644  2166.05  173.661 -5.635010 213.1807 
1 1 1   -7    4   45 o  1894.63  113.842   61.663   6.7224   61.663   6.7224   0.0000   0.0000  1894.63  113.842  ?   ?  0.000000 113.8420 
1 1 1   -7    4   47 o  1719.84  112.866   51.443   6.0444   51.443   6.0444   0.0000   0.0000  1719.84  112.866  ?   ?  0.000000 112.8658 
1 1 1   -7    4   49 o  1964.14  196.731   83.272   11.937   83.272   11.937   0.0000   0.0000  1964.14  196.731  ?   ?  0.000000 196.7311 
1 1 1   -7    4   51 o  342.197  155.277   0.4829   3.6074   0.4829   3.6074   0.0000   0.0000  342.197  155.277  ?   ?  0.000000 155.2765 
1 1 1   -7    4   53 o  2017.99  137.690   87.600   8.6484   86.502   12.395   88.642   12.072  1538.51  266.983  1634.76  243.257 -96.24915 361.1842 
1 1 1   -7    4   55 o  1737.69  148.676   77.627   8.0117   79.516   11.559   75.880   11.115  1045.33  321.683  1067.49  312.529 -22.15894 448.5022 
1 1 1   -7    4   57 o  515.880  256.744  129.183   16.358  129.183   16.358   0.0000   0.0000  515.880  256.744  ?   ?  0.000000 256.7436 
1 1 1   -7    4   59 o  1011.62  185.011   43.527   5.6445   52.782   8.3315   35.675   7.6740  507.116  232.339  393.279  191.771 113.8374 301.2604 
1 1 1   -7    4   61 o  ?   ?    89.933   12.396   0.0000   0.0000   89.933   12.396  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    5    2 o  2802.50  100.066  123.303   8.7811  117.673   15.232  126.106   10.747  2723.69  179.612  2832.36  121.172 -108.6646 216.6641 
1 1 1   -7    5    4 o  1978.49  106.520   61.658   6.5748   58.201   9.3253   65.075   9.2711  1915.14  156.882  2027.34  147.045 -112.2018 215.0217 
1 1 1   -7    5    6 o  2376.89  111.385   88.787   8.2899   92.927   11.759   84.697   11.689  2422.40  155.858  2311.01  162.561 111.3892 225.2065 
1 1 1   -7    5    8 o  1867.54  105.321   54.985   6.1338   50.348   8.7066   59.553   8.6427  1778.85  157.954  1938.32  143.417 -159.4647 213.3497 
1 1 1   -7    5   10 o  731.336   97.898   8.5543   2.1856   6.0694   3.1324   10.912   3.0511  608.724  161.627  823.616  121.997 -214.8918 202.5005 
1 1 1   -7    5   12 o  2524.47  110.454  100.369   8.7311  115.530   12.410   85.507   12.287  2698.32  147.433  2314.59  170.732 383.7297 225.5793 
1 1 1   -7    5   14 o  3133.77  186.708  157.449   18.238   0.0000   0.0000  157.449   18.238  ?   ?   3133.77  186.708 0.000000 186.7080 
1 1 1   -7    5   16 o  846.916  136.011   11.648   3.4848   0.0000   0.0000   11.648   3.4848  ?   ?   846.916  136.011 0.000000 136.0106 
1 1 1   -7    5   18 o  1490.19  140.624   35.587   6.4842   0.0000   0.0000   35.587   6.4842  ?   ?   1490.19  140.624 0.000000 140.6240 
1 1 1   -7    5   20 o  2139.94  155.901   73.557   10.375   0.0000   0.0000   73.557   10.375  ?   ?   2139.94  155.901 0.000000 155.9009 
1 1 1   -7    5   22 o  932.277  137.204   14.151   3.8855   0.0000   0.0000   14.151   3.8855  ?   ?   932.277  137.204 0.000000 137.2043 
1 1 1   -7    5   24 o  1496.57  142.546   36.345   6.5991   0.0000   0.0000   36.345   6.5991  ?   ?   1496.57  142.546 0.000000 142.5461 
1 1 1   -7    5   26 o  823.514  141.153   11.291   3.5088   0.0000   0.0000   11.291   3.5088  ?   ?   823.514  141.153 0.000000 141.1529 
1 1 1   -7    5   30 o  1238.13  143.042   25.687   5.4435   0.0000   0.0000   25.687   5.4435  ?   ?   1238.13  143.042 0.000000 143.0416 
1 1 1   -7    5   32 o  1418.70  145.852   34.041   6.3870   0.0000   0.0000   34.041   6.3870  ?   ?   1418.70  145.852 0.000000 145.8523 
1 1 1   -7    5   34 o  275.623  103.095   0.9758   1.1987   0.5219   1.6315   1.5081   1.7670  280.009  115.325  334.811  125.183 -54.80219 170.2080 
1 1 1   -7    5   36 o  3160.19  140.622  172.342   13.915  175.689   19.704  169.013   19.653  3021.62  209.554  2951.68  214.100 69.94360 299.5858 
1 1 1   -7    5   38 f  2260.52  116.938   86.307   8.2488   92.764   11.707   79.940   11.625  2261.38  166.497  2073.78  180.833 187.5938 245.8085 
1 1 1   -7    5   40 f  4596.55  195.759  399.896   28.175  425.172   39.873  374.689   39.819  4269.25  300.184  3873.79  331.464 395.4565 447.1895 
1 1 1   -7    5   42 o  840.942  104.980   11.913   2.7041   12.091   3.8078   11.732   3.8408  815.727  154.739  800.329  158.868 15.39862 221.7729 
1 1 1   -7    5   44 o  1554.95  106.255   40.820   5.1425   45.615   7.2661   36.007   7.2792  1592.57  147.379  1383.30  171.749 209.2646 226.3145 
1 1 1   -7    5   46 o  2317.76  122.701   94.031   8.8733   92.907   12.551   95.154   12.547  2158.87  187.529  2192.31  184.486 -33.43701 263.0630 
1 1 1   -7    5   48 o  1767.91  173.174   62.016   9.4634   62.016   9.4634   0.0000   0.0000  1767.91  173.174  ?   ?  0.000000 173.1743 
1 1 1   -7    5   50 o  689.101  169.954   10.066   3.6442   10.066   3.6442   0.0000   0.0000  689.101  169.954  ?   ?  0.000000 169.9535 
1 1 1   -7    5   56 f  714.116  273.840   45.640   8.5815   45.640   8.5815   0.0000   0.0000  714.116  273.840  ?   ?  0.000000 273.8398 
1 1 1   -7    5   58 o  ?   ?   302.168   31.561   0.0000   0.0000  302.168   31.561  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    5   60 o  364.769  174.288   22.280   5.5955   0.0000   0.0000   22.280   5.5955  ?   ?   364.769  174.288 0.000000 174.2880 
1 1 1   -7    5   62 o  275.918  139.060   21.553   5.5821   0.0000   0.0000   21.553   5.5821  ?   ?   275.918  139.060 0.000000 139.0596 
1 1 1   -7    6    1 o  3344.75  133.967  176.211   14.031  176.211   14.031   0.0000   0.0000  3344.75  133.967  ?   ?  0.000000 133.9665 
1 1 1   -7    6    3 o  2917.46  120.116  133.901   10.973  149.287   15.567  118.708   15.469  3070.24  162.507  2732.69  181.826 337.5513 243.8624 
1 1 1   -7    6    5 f  1294.92  136.194   26.709   5.4395   0.0000   0.0000   26.709   5.4395  ?   ?   1294.92  136.194 0.000000 136.1941 
1 1 1   -7    6    7 o  457.099  129.792   3.3746   1.9445   0.0000   0.0000   3.3746   1.9445  ?   ?   457.099  129.792 0.000000 129.7923 
1 1 1   -7    6    9 o  2979.31  180.558  141.443   16.765   0.0000   0.0000  141.443   16.765  ?   ?   2979.31  180.558 0.000000 180.5582 
1 1 1   -7    6   11 o  3491.88  199.178  195.331   21.688   0.0000   0.0000  195.331   21.688  ?   ?   3491.88  199.178 0.000000 199.1782 
1 1 1   -7    6   13 o  3253.41  191.017  169.844   19.374   0.0000   0.0000  169.844   19.374  ?   ?   3253.41  191.017 0.000000 191.0167 
1 1 1   -7    6   15 o  1376.52  138.575   30.336   5.8917   0.0000   0.0000   30.336   5.8917  ?   ?   1376.52  138.575 0.000000 138.5747 
1 1 1   -7    6   19 o  2942.25  181.258  139.658   16.618   0.0000   0.0000  139.658   16.618  ?   ?   2942.25  181.258 0.000000 181.2577 
1 1 1   -7    6   21 o  687.142  140.987   7.8000   2.9318   0.0000   0.0000   7.8000   2.9318  ?   ?   687.142  140.987 0.000000 140.9874 
1 1 1   -7    6   23 o  3801.73  217.633  240.659   25.800   0.0000   0.0000  240.659   25.800  ?   ?   3801.73  217.633 0.000000 217.6333 
1 1 1   -7    6   25 o  2499.17  170.076  103.118   13.230   0.0000   0.0000  103.118   13.230  ?   ?   2499.17  170.076 0.000000 170.0760 
1 1 1   -7    6   27 o  2573.18  174.725  111.216   13.995   0.0000   0.0000  111.216   13.995  ?   ?   2573.18  174.725 0.000000 174.7250 
1 1 1   -7    6   29 o  2558.76  176.556  111.423   14.059   0.0000   0.0000  111.423   14.059  ?   ?   2558.76  176.556 0.000000 176.5558 
1 1 1   -7    6   31 o  2192.97  165.655   82.003   11.291   0.0000   0.0000   82.003   11.291  ?   ?   2192.97  165.655 0.000000 165.6548 
1 1 1   -7    6   33 o  1860.11  157.135   59.470   9.0667   0.0000   0.0000   59.470   9.0667  ?   ?   1860.11  157.135 0.000000 157.1354 
1 1 1   -7    6   35 o  965.887  154.313   16.499   4.5100   16.499   4.5100   0.0000   0.0000  965.887  154.313  ?   ?  0.000000 154.3133 
1 1 1   -7    6   37 o  1458.44  151.881   37.587   6.8343   0.0000   0.0000   37.587   6.8343  ?   ?   1458.44  151.881 0.000000 151.8812 
1 1 1   -7    6   39 o  2038.46  112.083   69.455   7.1267   72.219   10.117   66.734   10.040  2011.38  162.013  1923.90  168.364 87.48633 233.6550 
1 1 1   -7    6   41 o  2807.85  131.241  134.661   11.539  130.538   16.336  138.765   16.301  2619.19  200.715  2719.38  192.680 -100.1970 278.2304 
1 1 1   -7    6   43 o  1047.70  103.476   18.421   3.3503   21.221   4.8343   15.833   4.6473  1092.01  144.965  923.986  166.762 168.0237 220.9626 
1 1 1   -7    6   45 o  2291.67  120.516   90.729   8.6176   97.879   12.194   83.597   12.180  2272.23  172.684  2060.77  190.923 211.4609 257.4316 
1 1 1   -7    6   47 o  1313.09  103.761   29.454   4.2315   25.170   5.9322   33.891   6.0377  1136.17  172.137  1358.69  144.117 -222.5208 224.5017 
1 1 1   -7    6   49 o  1907.65  115.359   64.374   6.8584   66.101   9.6895   62.641   9.7089  1809.77  173.098  1745.88  180.189 63.89087 249.8623 
1 1 1   -7    6   51 o  781.213  176.179   13.705   4.2069   13.705   4.2069   0.0000   0.0000  781.213  176.179  ?   ?  0.000000 176.1788 
1 1 1   -7    6   53 o  1707.29  330.348  142.017   17.022  142.017   17.022   0.0000   0.0000  1707.29  330.348  ?   ?  0.000000 330.3475 
1 1 1   -7    6   59 f  ?   ?   121.013   15.159   0.0000   0.0000  121.013   15.159  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    6   61 o  ?   ?    85.669   11.935   0.0000   0.0000   85.669   11.935  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    7    2 o  3602.91  140.858  204.877   15.891  191.762   22.467  218.007   22.479  3463.36  208.141  3698.15  194.812 -234.7839 285.0866 
1 1 1   -7    7    4 o  1355.92   96.129   29.038   4.0549   30.232   5.7383   27.847   5.7307  1378.01  134.711  1320.97  140.713 57.03931 194.8008 
1 1 1   -7    7    6 o  3137.50  129.377  155.247   12.710  143.475   17.971  167.032   17.980  2997.14  192.504  3239.24  177.948 -242.1040 262.1511 
1 1 1   -7    7    8 o  1216.79   94.289   23.417   3.5644   25.493   5.0561   21.365   5.0257  1264.53  129.522  1154.19  142.057 110.3389 192.2397 
1 1 1   -7    7   10 o  2133.03  107.892   71.854   7.1827   74.908   10.174   68.819   10.142  2169.23  150.714  2077.28  157.090 91.95361 217.6968 
1 1 1   -7    7   12 o  3548.84  140.224  199.478   15.582  203.669   22.044  195.294   22.029  3560.24  198.533  3484.12  202.796 76.12231 283.7983 
1 1 1   -7    7   14 o  2215.49  157.526   78.440   10.857   0.0000   0.0000   78.440   10.857  ?   ?   2215.49  157.526 0.000000 157.5262 
1 1 1   -7    7   18 o  1627.65  143.799   42.461   7.2534   0.0000   0.0000   42.461   7.2534  ?   ?   1627.65  143.799 0.000000 143.7988 
1 1 1   -7    7   20 o  1642.44  144.419   43.372   7.3518   0.0000   0.0000   43.372   7.3518  ?   ?   1642.44  144.419 0.000000 144.4194 
1 1 1   -7    7   22 o  778.876  140.206   10.001   3.2937   0.0000   0.0000   10.001   3.2937  ?   ?   778.876  140.206 0.000000 140.2059 
1 1 1   -7    7   24 o  875.445  139.595   12.655   3.6981   0.0000   0.0000   12.655   3.6981  ?   ?   875.445  139.595 0.000000 139.5952 
1 1 1   -7    7   26 o  1463.48  143.935   35.274   6.5105   0.0000   0.0000   35.274   6.5105  ?   ?   1463.48  143.935 0.000000 143.9351 
1 1 1   -7    7   28 o  476.621  142.835   3.7955   2.2998   0.0000   0.0000   3.7955   2.2998  ?   ?   476.621  142.835 0.000000 142.8351 
1 1 1   -7    7   30 o  3078.86  198.356  165.387   19.021   0.0000   0.0000  165.387   19.021  ?   ?   3078.86  198.356 0.000000 198.3560 
1 1 1   -7    7   32 o  3426.62  220.039  214.516   23.484   0.0000   0.0000  214.516   23.484  ?   ?   3426.62  220.039 0.000000 220.0388 
1 1 1   -7    7   34 o  2458.33  119.768  100.400   9.2193  101.646   13.059   99.162   13.017  2391.72  175.601  2359.17  177.517 32.54712 249.6957 
1 1 1   -7    7   36 o  1862.42  108.966   57.603   6.3269   55.925   8.9465   59.282   8.9486  1774.28  162.850  1834.13  157.339 -59.85303 226.4412 
1 1 1   -7    7   38 o  1885.03  109.250   59.032   6.4208   61.094   9.0999   56.986   9.0611  1861.51  157.598  1790.10  163.457 71.41516 227.0580 
1 1 1   -7    7   40 o  2522.27  122.778  106.920   9.6968  105.575   13.720  108.262   13.707  2402.89  183.739  2438.93  180.771 -36.03760 257.7560 
1 1 1   -7    7   42 f  935.707  102.695   14.625   2.9594   17.912   4.2721   11.593   4.1035  1012.36  138.395  789.841  170.884 222.5173 219.8967 
1 1 1   -7    7   44 o  2443.24  123.541  102.620   9.4207  102.789   13.359  102.454   13.287  2320.54  185.401  2318.67  184.534 1.869873 261.5840 
1 1 1   -7    7   46 o  820.911  111.291   11.643   2.7870   9.4335   4.0285   13.671   3.8596  683.334  184.124  861.336  148.467 -178.0020 236.5246 
1 1 1   -7    7   48 o  1811.57  111.724   56.928   6.3066   59.024   8.9271   54.840   8.9107  1748.66  164.987  1670.44  172.858 78.22083 238.9579 
1 1 1   -7    7   50 o  693.256  116.118   8.7873   2.4315   5.8147   3.3887   11.942   3.4909  513.084  175.446  776.596  148.977 -263.5126 230.1642 
1 1 1   -7    7   52 f  1743.81  119.456   59.292   6.4834   52.102   9.1509   66.538   9.1870  1349.38  224.462  1657.67  179.880 -308.2921 287.6454 
1 1 1   -7    7   54 o  1315.26  376.985  134.152   16.326  134.152   16.326   0.0000   0.0000  1315.26  376.985  ?   ?  0.000000 376.9846 
1 1 1   -7    7   56 o  ?   ?   239.238   25.854  239.238   25.854   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    8    1 o  3745.96  144.715  221.893   16.974  236.910   24.013  206.895   23.998  3848.44  199.959  3589.94  214.466 258.5005 293.2222 
1 1 1   -7    8    3 o  1102.04   94.360   19.233   3.2247   20.645   4.5722   17.836   4.5488  1136.37  130.888  1053.17  141.520 83.20959 192.7681 
1 1 1   -7    8    5 o  2299.41  111.248   83.281   8.0099   87.160   11.330   79.405   11.326  2340.68  155.465  2231.81  163.198 108.8623 225.3953 
1 1 1   -7    8    7 o  3087.25  128.567  150.496   12.429  144.053   17.571  156.947   17.582  3000.48  187.969  3135.17  179.851 -134.6882 260.1517 
1 1 1   -7    8    9 o  1414.93   96.724   31.650   4.2597   29.297   6.0157   34.017   6.0325  1352.82  144.236  1461.00  133.334 -108.1864 196.4234 
1 1 1   -7    8   11 o  2828.09  122.887  126.320   10.882  125.226   15.395  127.411   15.385  2797.64  176.643  2822.60  174.934 -24.96094 248.6054 
1 1 1   -7    8   13 o  2353.29  112.698   87.382   8.3044   84.803   11.752   89.954   11.736  2302.79  164.060  2373.55  158.826 -70.76074 228.3448 
1 1 1   -7    8   15 o  2641.71  170.789  111.839   14.052  111.839   14.052   0.0000   0.0000  2641.71  170.789  ?   ?  0.000000 170.7894 
1 1 1   -7    8   17 o  3148.25  130.290  157.187   12.844  164.900   18.176  149.494   18.152  3200.32  182.129  3042.24  191.534 158.0754 264.3030 
1 1 1   -7    8   19 f  1163.49   95.671   21.511   3.4546   23.664   4.9019   19.387   4.8693  1213.22  131.122  1093.17  145.895 120.0455 196.1591 
1 1 1   -7    8   21 o  2658.91  120.000  112.572   9.9908  112.475   14.138  112.669   14.120  2629.26  172.686  2631.76  172.301 -2.496582 243.9429 
1 1 1   -7    8   23 o  2432.95  114.892   94.571   8.7527  100.172   12.394   88.999   12.362  2475.73  160.751  2326.70  170.878 149.0381 234.6063 
1 1 1   -7    8   25 o  2116.09  109.611   71.932   7.2379   66.723   10.227   77.161   10.245  2006.46  164.215  2166.96  151.953 -160.5000 223.7324 
1 1 1   -7    8   27 o  3460.01  142.194  196.090   15.406  198.022   21.803  194.164   21.771  3390.84  206.328  3354.68  208.283 36.16602 293.1775 
1 1 1   -7    8   29 o  910.919   97.769   13.454   2.7451   14.068   3.8882   12.844   3.8761  915.982  140.009  871.442  147.298 44.54065 203.2225 
1 1 1   -7    8   31 o  1490.09  101.245   36.017   4.6959   37.487   6.6472   34.551   6.6348  1494.60  143.811  1429.98  150.433 64.61609 208.1144 
1 1 1   -7    8   33 o  2453.78  119.982   99.517   9.2187   94.193   13.062  104.801   13.012  2304.28  182.530  2448.77  170.773 -144.4902 249.9609 
1 1 1   -7    8   35 o  294.506  109.889   1.1464   1.3602   3.5812   1.9352  -1.2313   1.9124  454.748  129.606  240.115  110.489 214.6327 170.3106 
1 1 1   -7    8   37 o  644.271  111.345   7.0248   2.1650   7.9186   3.0729   6.1439   3.0508  666.573  150.754  582.631  161.579 83.94189 220.9854 
1 1 1   -7    8   39 o  2788.56  128.876  130.769   11.253  122.256   15.915  139.281   15.913  2572.15  199.155  2776.59  184.077 -204.4412 271.1961 
1 1 1   -7    8   41 o  4192.43  176.539  316.811   23.175  303.523   32.784  330.084   32.765  3739.78  282.040  3962.02  265.644 -222.2429 387.4446 
1 1 1   -7    8   43 o  772.380  111.325   10.150   2.6146   10.018   3.7053   10.282   3.6901  734.269  165.158  745.939  162.577 -11.66992 231.7510 
1 1 1   -7    8   45 o  1226.75  104.754   25.388   3.9853   23.692   5.6406   27.078   5.6314  1129.06  164.373  1223.10  150.199 -94.03369 222.6614 
1 1 1   -7    8   47 o  1273.70  106.711   27.698   4.2167   27.227   5.9766   28.166   5.9500  1200.13  163.279  1226.45  158.655 -26.31799 227.6651 
1 1 1   -7    8   49 o  1454.51  108.954   37.025   4.9262   37.515   6.9698   36.535   6.9635  1376.13  165.042  1353.16  167.958 22.96973 235.4757 
1 1 1   -7    8   51 o  2749.87  151.528  157.323   12.997  147.151   18.376  167.505   18.385  2095.58  287.628  2388.85  249.470 -293.2622 380.7431 
1 1 1   -7    8   53 o  1889.78  130.900   76.267   7.6981   78.923   10.862   73.586   10.912  1560.32  229.150  1435.86  251.880 124.4598 340.5187 
1 1 1   -7    8   55 o  ?   ?   307.164   31.937  307.164   31.937   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7    8   57 o  521.731  261.901  160.471   18.757  160.471   18.757   0.0000   0.0000  521.731  261.901  ?   ?  0.000000 261.9013 
1 1 1   -7    8   59 o  508.716  221.931   34.058   6.6623   34.058   6.6623   0.0000   0.0000  508.716  221.931  ?   ?  0.000000 221.9312 
1 1 1   -7    9    2 f  261.564  106.130   0.4297   1.3563   0.4297   1.3563   0.0000   0.0000  261.564  106.130  ?   ?  0.000000 106.1298 
1 1 1   -7    9    4 o  1737.60  145.695   48.111   7.8539   48.111   7.8539   0.0000   0.0000  1737.60  145.695  ?   ?  0.000000 145.6949 
1 1 1   -7    9    6 o  1996.29  151.811   63.498   9.4184   63.498   9.4184   0.0000   0.0000  1996.29  151.811  ?   ?  0.000000 151.8109 
1 1 1   -7    9    8 o  2838.60  121.872  127.164   10.832  113.203   15.306  141.173   15.333  2658.43  185.032  2976.61  165.151 -318.1887 248.0152 
1 1 1   -7    9   10 o  1750.53  145.938   48.876   7.9265   48.876   7.9265   0.0000   0.0000  1750.53  145.938  ?   ?  0.000000 145.9381 
1 1 1   -7    9   12 o  1328.65   96.109   27.934   3.9715   25.615   5.6004   30.281   5.6328  1263.32  144.157  1377.37  132.230 -114.0454 195.6167 
1 1 1   -7    9   14 f  2120.40  155.626   71.884   10.261   71.884   10.261   0.0000   0.0000  2120.40  155.626  ?   ?  0.000000 155.6257 
1 1 1   -7    9   16 o  719.304  142.954   8.5048   3.1063   8.5048   3.1063   0.0000   0.0000  719.304  142.954  ?   ?  0.000000 142.9535 
1 1 1   -7    9   18 o  4051.31  153.584  262.514   19.483  277.842   27.570  247.224   27.536  4122.00  214.347  3876.98  227.829 245.0154 312.8109 
1 1 1   -7    9   20 o  4541.61  169.929  333.832   24.165  329.316   34.180  338.345   34.170  4424.88  247.685  4489.85  243.967 -64.97510 347.6608 
1 1 1   -7    9   22 o  642.572  103.247   6.7242   2.0070   8.0304   2.8598   5.4566   2.8174  695.384  136.214  570.584  154.079 124.7999 205.6564 
1 1 1   -7    9   24 o  4915.80  185.074  402.222   28.488  392.637   40.291  411.804   40.284  4685.09  275.863  4814.52  268.283 -129.4233 384.8070 
1 1 1   -7    9   26 o  1150.05   98.085   21.271   3.4984   21.407   4.9816   21.138   4.9139  1137.29  143.055  1130.47  141.951 6.819824 201.5307 
1 1 1   -7    9   28 o  1292.42   98.317   26.901   3.9489   26.020   5.5541   27.802   5.6156  1251.20  144.417  1295.62  140.682 -44.42175 201.6128 
1 1 1   -7    9   30 o  841.722  100.498   11.557   2.5964   12.580   3.6576   10.519   3.6863  863.381  140.096  781.372  156.126 82.00964 209.7670 
1 1 1   -7    9   32 o  2350.63  115.315   90.564   8.4876   96.487   12.049   84.731   11.958  2369.38  163.400  2206.16  174.534 163.2227 239.0853 
1 1 1   -7    9   34 o  1324.03  101.389   28.737   4.1715   29.354   5.9435   28.138   5.8562  1306.35  147.906  1277.80  149.173 28.55164 210.0686 
1 1 1   -7    9   36 o  1858.31  108.410   56.856   6.2808   56.890   8.9244   56.821   8.8409  1808.98  159.174  1809.62  157.598 -0.6390381 223.9942 
1 1 1   -7    9   38 o  790.428  105.053   10.372   2.5357   9.7798   3.5796   10.968   3.5924  741.827  158.893  791.252  150.497 -49.42487 218.8520 
1 1 1   -7    9   40 o  3111.01  137.778  164.114   13.421  162.605   19.000  165.617   18.962  2955.01  206.639  2988.65  203.839 -33.63843 290.2588 
1 1 1   -7    9   42 o  2378.31  119.848   95.183   8.8965   86.968   12.572  103.422   12.591  2168.72  186.965  2399.69  168.633 -230.9636 251.7798 
1 1 1   -7    9   44 o  1327.10  103.325   29.433   4.2598   25.988   5.9952   32.947   6.0538  1191.05  165.202  1365.79  143.712 -174.7396 218.9629 
1 1 1   -7    9   46 o  1499.31  106.592   37.994   4.9716   37.828   7.0154   38.160   7.0465  1434.39  158.864  1440.74  158.835 -6.349243 224.6470 
1 1 1   -7    9   48 o  712.540  119.842   9.0485   2.5789   8.4658   3.6066   9.6581   3.6891  645.588  174.328  694.576  170.812 -48.98828 244.0632 
1 1 1   -7    9   50 o  2067.72  122.088   79.051   7.8696   71.473   11.106   86.692   11.153  1735.08  208.600  1995.17  180.470 -260.0903 275.8326 
1 1 1   -7    9   52 o  2297.17  141.974  112.620   10.162  114.634   14.362  110.602   14.380  1862.95  252.738  1788.22  264.831 74.72754 366.0765 
1 1 1   -7    9   54 o  1851.95  137.194   78.876   7.8992   77.781   11.100   80.001   11.243  1327.91  275.969  1350.12  275.287 -22.21216 389.7977 
1 1 1   -7    9   56 o  632.071  146.363   10.772   2.8397   11.378   3.7983   10.005   4.2760  525.349  185.387  438.209  184.073 87.14056 261.2500 
1 1 1   -7    9   58 o  516.569  204.128   18.617   4.8837   18.617   4.8837   0.0000   0.0000  516.569  204.128  ?   ?  0.000000 204.1280 
1 1 1   -7   10    1 o  4968.11  177.372  392.622   27.593  436.980   39.034  348.320   39.009  5207.62  239.382  4624.28  270.586 583.3369 361.2762 
1 1 1   -7   10    3 o  3450.12  138.051  188.174   14.914  193.066   21.090  183.279   21.093  3473.05  194.714  3381.54  200.099 91.51782 279.2004 
1 1 1   -7   10    5 o  1407.49  140.345   31.632   6.1028   31.632   6.1028   0.0000   0.0000  1407.49  140.345  ?   ?  0.000000 140.3446 
1 1 1   -7   10    7 o  718.399  143.561   8.4521   3.1164   8.4521   3.1164   0.0000   0.0000  718.399  143.561  ?   ?  0.000000 143.5612 
1 1 1   -7   10    9 o  773.267  141.507   9.7550   3.3000   9.7550   3.3000   0.0000   0.0000  773.267  141.507  ?   ?  0.000000 141.5072 
1 1 1   -7   10   11 o  1714.94  145.549   46.956   7.7420   46.956   7.7420   0.0000   0.0000  1714.94  145.549  ?   ?  0.000000 145.5487 
1 1 1   -7   10   13 o  1814.55  147.832   52.635   8.3265   52.635   8.3265   0.0000   0.0000  1814.55  147.832  ?   ?  0.000000 147.8322 
1 1 1   -7   10   15 f  2150.95  109.575   73.291   7.3556   73.652   10.409   72.931   10.396  2143.48  156.153  2132.71  156.775 10.76270 221.2743 
1 1 1   -7   10   17 o  2158.69  157.494   75.033   10.572   75.033   10.572   0.0000   0.0000  2158.69  157.494  ?   ?  0.000000 157.4939 
1 1 1   -7   10   19 o  1012.24  138.621   16.688   4.2782   0.0000   0.0000   16.688   4.2782  ?   ?   1012.24  138.621 0.000000 138.6210 
1 1 1   -7   10   21 o  798.090  142.837   10.552   3.4385   0.0000   0.0000   10.552   3.4385  ?   ?   798.090  142.837 0.000000 142.8372 
1 1 1   -7   10   23 o  714.953  100.936   8.2957   2.1968   10.072   3.1522   6.6185   3.0632  779.991  133.885  625.084  156.779 154.9068 206.1672 
1 1 1   -7   10   25 o  272.141  103.679   0.8395   1.2251   1.6085   1.8307   0.2159   1.6487  348.729  127.967  272.181  114.314 76.54797 171.5906 
1 1 1   -7   10   27 o  1197.50   98.477   23.078   3.6598   23.566   5.2132   22.604   5.1392  1193.05  142.359  1167.61  143.592 25.44189 202.2000 
1 1 1   -7   10   29 o  841.524  102.838   11.548   2.6534   7.1271   3.7687   15.894   3.7365  637.896  180.544  980.983  124.440 -343.0864 219.2748 
1 1 1   -7   10   31 o  835.420  102.408   11.446   2.6228   11.745   3.7457   11.158   3.6737  826.205  150.324  804.305  151.428 21.89984 213.3718 
1 1 1   -7   10   33 o  1928.69  108.924   60.946   6.5512   62.051   9.2954   59.856   9.2346  1901.11  157.572  1864.82  159.688 36.28296 224.3413 
1 1 1   -7   10   35 f  2981.11  132.680  148.291   12.385  148.239   17.541  148.342   17.490  2873.52  196.118  2875.89  195.380 -2.365234 276.8312 
1 1 1   -7   10   37 o  1855.67  108.226   56.395   6.2612   56.801   8.9072   55.999   8.8032  1818.18  158.025  1806.02  157.237 12.16650 222.9251 
1 1 1   -7   10   39 o  2968.91  133.296  147.637   12.392  141.397   17.542  153.854   17.508  2785.12  202.531  2925.99  192.159 -140.8721 279.1843 
1 1 1   -7   10   41 o  1587.68  105.181   41.592   5.1994   39.153   7.3494   44.037   7.3567  1491.95  159.805  1593.93  149.132 -101.9805 218.5818 
1 1 1   -7   10   43 o  1070.46  103.101   19.076   3.4131   14.756   4.7986   23.500   4.8556  889.733  178.451  1164.99  135.647 -275.2561 224.1534 
1 1 1   -7   10   45 o  2695.56  129.344  125.004   10.917  121.618   15.448  128.383   15.431  2508.10  198.314  2593.92  191.338 -85.82300 275.5695 
1 1 1   -7   10   47 o  879.867  113.082   13.389   3.0434   15.540   4.2386   11.100   4.3726  915.091  153.350  739.607  188.311 175.4836 242.8525 
1 1 1   -7   10   49 o  402.246  135.218   3.0208   2.0125   0.9410   2.7624   5.3733   2.9379  336.175  144.788  509.711  162.939 -173.5357 217.9743 
1 1 1   -7   10   51 o  1326.74  113.977   33.141   4.6890   31.811   6.5797   34.514   6.6841  1149.06  189.476  1213.97  181.405 -64.90796 262.3146 
1 1 1   -7   10   53 o  812.552  129.278   14.056   3.1790   12.615   4.4133   15.609   4.5831  624.218  199.723  721.765  197.195 -97.54681 280.6690 
1 1 1   -7   10   55 o  610.962  151.559   9.8596   2.8854   13.564   3.9707   5.7151   4.2002  634.737  187.078  374.277  168.903 260.4604 252.0446 
1 1 1   -7   10   57 o  413.114  145.210   5.5336   2.3283   5.8892   2.9860   4.9821   3.7188  378.659  155.995  329.654  152.537 49.00531 218.1788 
1 1 1   -7   10   59 o  490.008  221.085   35.823   7.1922   0.0000   0.0000   35.823   7.1922  ?   ?   490.008  221.085 0.000000 221.0850 
1 1 1   -7   11    2 o  3038.98  127.670  145.842   12.149  155.953   17.192  135.758   17.170  3125.69  176.378  2911.30  189.379 214.3894 258.7924 
1 1 1   -7   11    4 o  4197.70  156.937  279.514   20.628  299.734   29.184  259.327   29.160  4321.95  215.649  4005.55  233.507 316.4036 317.8519 
1 1 1   -7   11    6 o  2886.28  124.151  131.534   11.220  143.824   15.875  119.267   15.861  3002.64  169.543  2727.91  186.808 274.7354 252.2733 
1 1 1   -7   11   10 o  2052.15  107.664   66.593   6.8941   71.445   9.7569   61.755   9.7426  2116.67  148.145  1964.16  159.794 152.5099 217.9021 
1 1 1   -7   11   12 o  1591.81  144.293   40.565   7.1139   40.565   7.1139   0.0000   0.0000  1591.81  144.293  ?   ?  0.000000 144.2929 
1 1 1   -7   11   14 o  1299.17  139.722   27.144   5.5946   27.144   5.5946   0.0000   0.0000  1299.17  139.722  ?   ?  0.000000 139.7220 
1 1 1   -7   11   16 o  2680.74  173.516  116.298   14.487  116.298   14.487   0.0000   0.0000  2680.74  173.516  ?   ?  0.000000 173.5164 
1 1 1   -7   11   18 o  2374.53  164.897   91.545   12.184   91.545   12.184   0.0000   0.0000  2374.53  164.897  ?   ?  0.000000 164.8970 
1 1 1   -7   11   22 o  1220.87  142.791   24.404   5.3556   24.404   5.3556   0.0000   0.0000  1220.87  142.791  ?   ?  0.000000 142.7912 
1 1 1   -7   11   24 o  494.193  117.649   4.0713   1.7943   3.6617   2.4912   4.5129   2.5866  475.381  149.839  520.070  150.343 -44.68845 212.2607 
1 1 1   -7   11   26 o  1220.40   99.858   23.945   3.7825   23.801   5.3618   24.087   5.3369  1199.40  145.763  1207.44  144.000 -8.035400 204.8974 
1 1 1   -7   11   28 o  997.684  101.218   16.123   3.1183   19.252   4.4063   12.985   4.4135  1078.70  133.289  868.890  168.298 209.8083 214.6859 
1 1 1   -7   11   30 o  307.851  113.556   1.2529   1.4443   0.8501   2.0877   1.6228   2.0002  324.744  131.705  354.302  133.047 -29.55734 187.2103 
1 1 1   -7   11   32 o  1581.21  103.330   40.680   5.0879   42.868   7.2141   38.515   7.1768  1594.03  146.160  1504.04  154.589 89.98950 212.7452 
1 1 1   -7   11   34 o  1891.49  108.398   58.381   6.3933   56.085   9.0426   60.677   9.0405  1810.32  161.210  1890.22  154.084 -79.90625 223.0032 
1 1 1   -7   11   36 o  1319.95  149.733   29.569   6.0791   29.569   6.0791   0.0000   0.0000  1319.95  149.733  ?   ?  0.000000 149.7327 
1 1 1   -7   11   38 o  1397.26  103.297   31.865   4.4874   30.493   6.3625   33.222   6.3299  1333.52  155.280  1398.84  146.699 -65.31665 213.6180 
1 1 1   -7   11   40 o  1316.72  103.457   28.465   4.2311   24.996   5.9814   31.940   5.9860  1192.62  164.554  1368.39  141.762 -175.7657 217.1970 
1 1 1   -7   11   42 o  766.443  115.142   9.9333   2.6779   10.067   3.8284   9.8056   3.7472  742.662  168.495  733.686  166.876 8.976563 237.1455 
1 1 1   -7   11   44 o  1361.38  104.786   30.833   4.4325   31.840   6.2187   29.793   6.3195  1343.27  150.432  1289.91  159.889 53.35571 219.5318 
1 1 1   -7   11   46 o  965.775  109.035   15.848   3.2396   16.064   4.4830   15.612   4.6867  933.841  159.009  910.198  170.715 23.64374 233.2973 
1 1 1   -7   11   48 o  1682.91  111.188   49.279   5.8261   45.076   8.1843   53.598   8.2956  1499.82  177.728  1668.31  160.791 -168.4889 239.6687 
1 1 1   -7   11   50 o  2062.69  124.687   80.289   8.0154   80.503   11.293   80.071   11.378  1843.68  198.765  1828.80  202.072 14.87488 283.4443 
1 1 1   -7   11   52 o  910.083  193.875   21.913   5.3557   21.913   5.3557   0.0000   0.0000  910.083  193.875  ?   ?  0.000000 193.8752 
1 1 1   -7   11   54 o  474.351  147.115   5.7708   2.4123   4.9353   3.2095   6.8555   3.6570  400.161  162.923  445.702  176.477 -45.54095 240.1834 
1 1 1   -7   11   56 o  793.202  147.384   16.471   3.5258   17.666   4.7727   15.036   5.2314  637.922  208.018  502.739  206.721 135.1828 293.2662 
1 1 1   -7   11   58 o  357.990  166.144   9.0606   4.4604   0.0000   0.0000   9.0606   4.4604  ?   ?   357.990  166.144 0.000000 166.1438 
1 1 1   -7   12    1 o  1100.10  139.981   19.463   4.7127   0.0000   0.0000   19.463   4.7127  ?   ?   1100.10  139.981 0.000000 139.9810 
1 1 1   -7   12    3 o  873.689  140.428   12.382   3.7116   0.0000   0.0000   12.382   3.7116  ?   ?   873.689  140.428 0.000000 140.4276 
1 1 1   -7   12    5 o  1916.90  104.881   58.081   6.2714   66.518   8.8923   49.730   8.8460  2044.60  139.733  1761.19  162.232 283.4156 214.1132 
1 1 1   -7   12    7 o  504.749  142.411   4.1483   2.3487   0.0000   0.0000   4.1483   2.3487  ?   ?   504.749  142.411 0.000000 142.4113 
1 1 1   -7   12    9 f  980.626   97.830   15.303   2.9639   15.066   4.2177   15.534   4.1658  963.890  144.172  980.037  139.705 -16.14764 200.7564 
1 1 1   -7   12   11 o  1799.33  148.481   51.891   8.2909   51.891   8.2909   0.0000   0.0000  1799.33  148.481  ?   ?  0.000000 148.4813 
1 1 1   -7   12   15 o  1417.66  143.275   32.442   6.2727   0.0000   0.0000   32.442   6.2727  ?   ?   1417.66  143.275 0.000000 143.2753 
1 1 1   -7   12   21 f  1307.58  144.292   27.913   5.8094   27.913   5.8094   0.0000   0.0000  1307.58  144.292  ?   ?  0.000000 144.2918 
1 1 1   -7   12   23 o  985.927  145.962   16.063   4.3699   16.063   4.3699   0.0000   0.0000  985.927  145.962  ?   ?  0.000000 145.9622 
1 1 1   -7   12   25 o  2339.33  166.892   90.644   12.145   90.644   12.145   0.0000   0.0000  2339.33  166.892  ?   ?  0.000000 166.8922 
1 1 1   -7   12   27 o  1072.28  146.324   19.169   4.7847   19.169   4.7847   0.0000   0.0000  1072.28  146.324  ?   ?  0.000000 146.3237 
1 1 1   -7   12   29 o  1612.66  151.004   43.535   7.5364   43.535   7.5364   0.0000   0.0000  1612.66  151.004  ?   ?  0.000000 151.0039 
1 1 1   -7   12   31 o  1082.70  149.438   19.848   4.9312   19.848   4.9312   0.0000   0.0000  1082.70  149.438  ?   ?  0.000000 149.4375 
1 1 1   -7   12   33 f  851.089  106.623   11.882   2.7791   12.327   3.9744   11.455   3.8875  846.870  155.614  814.527  158.124 32.34296 221.8534 
1 1 1   -7   12   35 o  2276.74  115.899   84.523   8.2351   79.645   11.657   89.383   11.635  2156.99  174.078  2297.82  162.767 -140.8218 238.3192 
1 1 1   -7   12   37 o  711.721  162.763   8.8803   3.5484   8.8803   3.5484   0.0000   0.0000  711.721  162.763  ?   ?  0.000000 162.7627 
1 1 1   -7   12   39 o  2526.66  121.633  105.259   9.6231  104.614   13.635  105.899   13.583  2443.12  179.496  2461.07  177.452 -17.94922 252.4043 
1 1 1   -7   12   41 o  1314.36  104.654   28.416   4.2714   23.812   6.0050   33.131   6.0771  1157.95  170.741  1393.33  141.243 -235.3867 221.5901 
1 1 1   -7   12   43 o  808.612  116.247   11.052   2.8587   10.911   4.0060   11.199   4.0807  772.974  170.126  782.663  171.269 -9.689209 241.4034 
1 1 1   -7   12   45 o  985.504  112.568   16.434   3.4114   17.359   4.8227   15.508   4.8261  975.299  163.722  911.377  175.481 63.92151 239.9969 
1 1 1   -7   12   47 o  952.532  110.656   15.665   3.2390   14.632   4.4394   16.840   4.7362  869.693  169.109  935.802  167.796 -66.10956 238.2294 
1 1 1   -7   12   49 f  635.175  135.215   7.7809   2.6068   8.8940   3.4579   6.3154   3.9675  644.670  169.172  521.339  188.826 123.3317 253.5246 
1 1 1   -7   12   51 o  429.529  162.845   4.3231   3.0130   4.3231   3.0130   0.0000   0.0000  429.529  162.845  ?   ?  0.000000 162.8446 
1 1 1   -7   12   53 o  780.915  131.601   13.045   3.1035   9.7142   4.1774   17.148   4.6366  541.492  194.061  780.901  191.161 -239.4090 272.4012 
1 1 1   -7   12   55 o  754.300  140.195   13.624   3.1894   11.120   4.2721   16.777   4.7938  521.553  194.719  662.091  207.725 -140.5375 284.7188 
1 1 1   -7   12   57 o  604.862  236.735   27.087   6.5122   0.0000   0.0000   27.087   6.5122  ?   ?   604.862  236.735 0.000000 236.7347 
1 1 1   -7   12   59 o  1061.22  163.109   38.259   5.2465   36.040   7.1936   40.781   7.6686  521.700  229.020  533.464  235.245 -11.76355 328.3142 
1 1 1   -7   13    2 o  2744.35  121.197  119.135   10.415  129.730   14.749  108.598   14.708  2846.43  166.205  2597.66  181.975 248.7725 246.4526 
1 1 1   -7   13    4 o  1667.99  102.007   44.042   5.3021   47.890   7.5350   40.268   7.4621  1731.44  140.185  1583.75  152.353 147.6874 207.0345 
1 1 1   -7   13    6 o  2722.12  120.707  117.265   10.289  127.788   14.567  106.792   14.533  2823.86  165.472  2574.55  181.437 249.3074 245.5612 
1 1 1   -7   13    8 o  558.235  111.963   5.0996   1.8890   2.6445   2.6869   7.4989   2.6562  437.506  155.760  676.531  130.112 -239.0257 202.9540 
1 1 1   -7   13   10 o  2485.99  115.998   97.890   9.0295  102.721   12.787   93.084   12.753  2527.77  162.408  2402.53  170.630 125.2407 235.5649 
1 1 1   -7   13   16 o  1683.46  147.501   45.842   7.6968   45.842   7.6968   0.0000   0.0000  1683.46  147.501  ?   ?  0.000000 147.5007 
1 1 1   -7   13   18 o  2062.33  157.042   69.078   10.065   0.0000   0.0000   69.078   10.065  ?   ?   2062.33  157.042 0.000000 157.0425 
1 1 1   -7   13   20 o  3046.11  129.837  148.732   12.384  145.338   17.501  152.135   17.526  2967.45  189.338  3039.76  185.014 -72.31519 264.7241 
1 1 1   -7   13   22 o  1960.28  155.112   62.783   9.4432   62.783   9.4432   0.0000   0.0000  1960.28  155.112  ?   ?  0.000000 155.1120 
1 1 1   -7   13   24 o  217.908   98.183  -0.6921   1.4128  -0.3345   1.7907  -1.2815   2.2993  262.434  114.758  272.315  123.721 -9.881104 168.7488 
1 1 1   -7   13   26 f  979.458  149.168   16.038   4.4304   16.038   4.4304   0.0000   0.0000  979.458  149.168  ?   ?  0.000000 149.1678 
1 1 1   -7   13   28 o  1697.33  153.065   48.020   8.0475   48.020   8.0475   0.0000   0.0000  1697.33  153.065  ?   ?  0.000000 153.0649 
1 1 1   -7   13   30 o  2379.53  171.400   95.782   12.685   95.782   12.685   0.0000   0.0000  2379.53  171.400  ?   ?  0.000000 171.3996 
1 1 1   -7   13   32 o  1717.39  153.796   49.276   8.1829   49.276   8.1829   0.0000   0.0000  1717.39  153.796  ?   ?  0.000000 153.7962 
1 1 1   -7   13   34 o  3951.64  240.034  281.290   29.560  281.290   29.560   0.0000   0.0000  3951.64  240.034  ?   ?  0.000000 240.0336 
1 1 1   -7   13   36 o  1190.36  151.814   23.905   5.5297   23.905   5.5297   0.0000   0.0000  1190.36  151.814  ?   ?  0.000000 151.8137 
1 1 1   -7   13   38 o  512.944  166.139   4.4508   3.0468   4.4508   3.0468   0.0000   0.0000  512.944  166.139  ?   ?  0.000000 166.1386 
1 1 1   -7   13   40 o  2600.87  185.001  119.428   14.968  119.428   14.968   0.0000   0.0000  2600.87  185.001  ?   ?  0.000000 185.0006 
1 1 1   -7   13   42 o  3201.64  216.065  191.400   21.534  191.400   21.534   0.0000   0.0000  3201.64  216.065  ?   ?  0.000000 216.0646 
1 1 1   -7   13   44 o  1768.68  163.860   55.661   8.9718   55.661   8.9718   0.0000   0.0000  1768.68  163.860  ?   ?  0.000000 163.8600 
1 1 1   -7   13   46 o  2398.33  124.143   99.406   9.2909   93.016   13.115  105.845   13.164  2178.06  194.337  2357.97  179.646 -179.9114 264.6499 
1 1 1   -7   13   48 o  2093.30  121.519   78.630   7.9308   74.100   11.141   83.284   11.292  1860.31  194.115  2004.53  181.892 -144.2178 266.0176 
1 1 1   -7   13   50 f  551.108  177.063   7.2487   3.4660   7.2487   3.4660   0.0000   0.0000  551.108  177.063  ?   ?  0.000000 177.0629 
1 1 1   -7   13   52 o  1417.40  205.357   54.735   8.8487   54.735   8.8487   0.0000   0.0000  1417.40  205.357  ?   ?  0.000000 205.3570 
1 1 1   -7   13   54 o  504.993  154.330   6.6501   2.6658   5.5553   3.3700   8.4806   4.3576  421.394  168.581  470.335  190.444 -48.94168 254.3396 
1 1 1   -7   13   56 o  551.656  220.868   18.273   5.7898   0.0000   0.0000   18.273   5.7898  ?   ?   551.656  220.868 0.000000 220.8683 
1 1 1   -7   13   58 o  550.311  177.070   12.093   3.4653   17.523   4.5038   4.2137   5.4250  586.933  202.203  294.960  146.967 291.9733 249.9704 
1 1 1   -7   14    1 o  1477.15  101.593   34.611   4.6704   36.688   6.7506   32.704   6.4683  1511.31  144.408  1425.46  147.027 85.85022 206.0839 
1 1 1   -7   14    3 o  1639.44  102.622   42.607   5.2416   41.745   7.4232   43.465   7.4022  1611.76  148.765  1645.90  145.114 -34.14124 207.8200 
1 1 1   -7   14    5 o  2015.16  155.219   65.228   9.7189   0.0000   0.0000   65.228   9.7189  ?   ?   2015.16  155.219 0.000000 155.2195 
1 1 1   -7   14    7 o  2054.72  156.050   67.877   9.9650   0.0000   0.0000   67.877   9.9650  ?   ?   2054.72  156.050 0.000000 156.0503 
1 1 1   -7   14    9 o  731.782  105.154   8.6380   2.3403   9.0429   3.4044   8.2752   3.2224  739.139  152.167  706.782  150.233 32.35687 213.8334 
1 1 1   -7   14   13 o  566.676  113.423   5.2721   1.9423   6.4786   2.8114   4.1702   2.6867  624.049  146.400  508.029  154.863 116.0208 213.1088 
1 1 1   -7   14   15 o  2300.99  162.937   85.769   11.664   0.0000   0.0000   85.769   11.664  ?   ?   2300.99  162.937 0.000000 162.9366 
1 1 1   -7   14   19 o  738.050  154.032   9.1012   3.4446   9.1012   3.4446   0.0000   0.0000  738.050  154.032  ?   ?  0.000000 154.0318 
1 1 1   -7   14   21 f  558.778  154.620   5.2200   2.7969   5.2200   2.7969   0.0000   0.0000  558.778  154.620  ?   ?  0.000000 154.6198 
1 1 1   -7   14   23 o  1854.06  106.469   55.039   6.1552   52.353   8.6045   57.854   8.8085  1785.93  155.415  1880.46  150.867 -94.52625 216.5978 
1 1 1   -7   14   25 o  1269.61  148.299   26.654   5.7845   26.654   5.7845   0.0000   0.0000  1269.61  148.299  ?   ?  0.000000 148.2994 
1 1 1   -7   14   27 o  1645.75  151.304   44.855   7.7098   44.855   7.7098   0.0000   0.0000  1645.75  151.304  ?   ?  0.000000 151.3041 
1 1 1   -7   14   29 o  2102.88  112.558   71.387   7.3847   71.446   10.370   71.325   10.519  2071.53  161.138  2067.74  163.801 3.796387 229.7742 
1 1 1   -7   14   31 o  768.870  162.807   10.113   3.7976   10.113   3.7976   0.0000   0.0000  768.870  162.807  ?   ?  0.000000 162.8075 
1 1 1   -7   14   33 o  2454.60  172.898  101.077   13.204  101.077   13.204   0.0000   0.0000  2454.60  172.898  ?   ?  0.000000 172.8984 
1 1 1   -7   14   35 o  2595.15  179.463  114.240   14.494  114.240   14.494   0.0000   0.0000  2595.15  179.463  ?   ?  0.000000 179.4631 
1 1 1   -7   14   37 o  2215.49  167.949   83.319   11.564   83.319   11.564   0.0000   0.0000  2215.49  167.949  ?   ?  0.000000 167.9485 
1 1 1   -7   14   39 o  1776.40  158.883   53.701   8.7443   53.701   8.7443   0.0000   0.0000  1776.40  158.883  ?   ?  0.000000 158.8833 
1 1 1   -7   14   41 o  1062.77  160.153   19.604   5.1641   19.604   5.1641   0.0000   0.0000  1062.77  160.153  ?   ?  0.000000 160.1534 
1 1 1   -7   14   43 o  466.088  168.180   3.4899   3.1430   3.4899   3.1430   0.0000   0.0000  466.088  168.180  ?   ?  0.000000 168.1798 
1 1 1   -7   14   45 o  430.404  163.731   2.8642   3.0525   2.8642   3.0525   0.0000   0.0000  430.404  163.731  ?   ?  0.000000 163.7311 
1 1 1   -7   14   49 o  1542.08  184.653   52.245   8.7389   52.245   8.7389   0.0000   0.0000  1542.08  184.653  ?   ?  0.000000 184.6528 
1 1 1   -7   14   51 o  1763.98  214.454   82.955   11.602   82.955   11.602   0.0000   0.0000  1763.98  214.454  ?   ?  0.000000 214.4542 
1 1 1   -7   14   53 o  430.826  167.336   5.1346   3.2348   5.1346   3.2348   0.0000   0.0000  430.826  167.336  ?   ?  0.000000 167.3361 
1 1 1   -7   14   55 o  1275.99  371.497  127.334   15.743  127.334   15.743   0.0000   0.0000  1275.99  371.497  ?   ?  0.000000 371.4970 
1 1 1   -7   14   57 o  774.235  245.308   32.797   6.6704   32.797   6.6704   0.0000   0.0000  774.235  245.308  ?   ?  0.000000 245.3080 
1 1 1   -7   15    2 o  2915.22  182.496  137.434   16.575   0.0000   0.0000  137.434   16.575  ?   ?   2915.22  182.496 0.000000 182.4960 
1 1 1   -7   15    4 o  2178.45  106.174   75.041   7.2424   92.425   10.386   58.586   10.105  2405.54  138.467  1902.69  171.447 502.8535 220.3795 
1 1 1   -7   15    6 o  2454.88  112.887   95.438   8.6775  111.351   12.374   80.041   12.172  2635.97  150.543  2223.67  176.257 412.3015 231.7968 
1 1 1   -7   15    8 o  992.220  101.489   15.719   3.1088   17.624   4.4844   13.955   4.3135  1042.48  140.995  922.173  154.875 120.3071 209.4418 
1 1 1   -7   15   10 f  1739.68  150.111   48.743   8.0970   48.743   8.0970   0.0000   0.0000  1739.68  150.111  ?   ?  0.000000 150.1105 
1 1 1   -7   15   12 o  1336.06  100.656   28.387   4.1800   29.348   5.9737   27.464   5.8511  1348.04  143.738  1302.99  145.915 45.05249 204.8215 
1 1 1   -7   15   14 o  1352.72  100.680   29.113   4.2340   27.730   6.0176   30.469   5.9582  1307.41  149.691  1373.94  140.470 -66.53296 205.2784 
1 1 1   -7   15   18 o  1525.42  147.595   37.756   6.9617   37.756   6.9617   0.0000   0.0000  1525.42  147.595  ?   ?  0.000000 147.5946 
1 1 1   -7   15   20 o  1049.97  101.629   17.671   3.2994   18.287   4.6614   17.053   4.6708  1056.11  144.769  1017.14  151.258 38.97003 209.3732 
1 1 1   -7   15   22 o  565.901  159.223   5.3745   2.9402   5.3745   2.9402   0.0000   0.0000  565.901  159.223  ?   ?  0.000000 159.2229 
1 1 1   -7   15   24 f  847.745  107.192   11.658   2.7818   8.6416   3.7150   15.508   4.1972  711.135  169.277  968.179  142.729 -257.0439 221.4183 
1 1 1   -7   15   26 o  390.634  134.886   2.2723   2.0047   1.7919   2.5179   3.1040   3.3134  388.817  148.515  470.903  172.254 -82.08615 227.4384 
1 1 1   -7   15   28 o  1243.99  105.001   24.901   4.0518   23.668   5.6379   26.219   5.8271  1194.18  154.390  1259.31  150.773 -65.13599 215.7983 
1 1 1   -7   15   30 o  899.986  158.342   13.613   4.2993   13.613   4.2993   0.0000   0.0000  899.986  158.342  ?   ?  0.000000 158.3422 
1 1 1   -7   15   32 o  1380.34  151.611   31.503   6.4450   31.503   6.4450   0.0000   0.0000  1380.34  151.611  ?   ?  0.000000 151.6111 
1 1 1   -7   15   34 o  2552.77  121.009  105.305   9.6726  100.907   13.622  109.778   13.737  2449.03  178.869  2561.18  172.298 -112.1489 248.3561 
1 1 1   -7   15   36 o  1360.21  154.004   30.993   6.4437   30.993   6.4437   0.0000   0.0000  1360.21  154.004  ?   ?  0.000000 154.0039 
1 1 1   -7   15   38 o  1152.00  112.303   21.691   3.9995   26.448   5.4825   16.279   5.8474  1258.33  141.605  952.565  202.291 305.7642 246.9283 
1 1 1   -7   15   40 o  2033.00  165.760   70.610   10.460   70.610   10.460   0.0000   0.0000  2033.00  165.760  ?   ?  0.000000 165.7602 
1 1 1   -7   15   42 o  434.503  163.876   2.6800   3.0412   2.6800   3.0412   0.0000   0.0000  434.503  163.876  ?   ?  0.000000 163.8756 
1 1 1   -7   15   44 o  2036.93  173.182   75.352   10.941   75.352   10.941   0.0000   0.0000  2036.93  173.182  ?   ?  0.000000 173.1818 
1 1 1   -7   15   46 f  1046.52  174.361   21.248   5.5126   21.248   5.5126   0.0000   0.0000  1046.52  174.361  ?   ?  0.000000 174.3607 
1 1 1   -7   15   48 o  1173.64  177.988   28.673   6.3358   28.673   6.3358   0.0000   0.0000  1173.64  177.988  ?   ?  0.000000 177.9878 
1 1 1   -7   15   50 o  1339.64  186.613   41.107   7.6154   41.107   7.6154   0.0000   0.0000  1339.64  186.613  ?   ?  0.000000 186.6129 
1 1 1   -7   15   52 o  878.409  207.496   21.255   5.6163   21.255   5.6163   0.0000   0.0000  878.409  207.496  ?   ?  0.000000 207.4964 
1 1 1   -7   15   54 o  1152.30  219.167   41.772   7.6188   41.772   7.6188   0.0000   0.0000  1152.30  219.167  ?   ?  0.000000 219.1671 
1 1 1   -7   15   56 o  484.207  185.681   9.4457   3.9456   9.4457   3.9456   0.0000   0.0000  484.207  185.681  ?   ?  0.000000 185.6810 
1 1 1   -7   16    1 o  512.065  138.088   4.3125   2.2648   2.4213   3.7673   5.3827   2.8341  470.103  181.143  571.048  154.672 -100.9452 238.1938 
1 1 1   -7   16    3 o  848.282  153.927   11.829   3.9380   0.0000   0.0000   11.829   3.9380  ?   ?   848.282  153.927 0.000000 153.9272 
1 1 1   -7   16    5 o  524.355  153.848   4.4730   2.6908   0.0000   0.0000   4.4730   2.6908  ?   ?   524.355  153.848 0.000000 153.8477 
1 1 1   -7   16    7 o  1485.11  145.837   35.499   6.6943   0.0000   0.0000   35.499   6.6943  ?   ?   1485.11  145.837 0.000000 145.8369 
1 1 1   -7   16   11 o  522.152  131.313   4.5067   2.1448   6.6144   3.5738   3.3202   2.6814  631.015  174.839  467.312  156.086 163.7031 234.3753 
1 1 1   -7   16   13 o  1765.75  104.240   49.526   5.7379   56.303   8.2351   43.131   7.9992  1872.17  141.522  1631.73  158.562 240.4401 212.5338 
1 1 1   -7   16   15 o  231.803  100.455  -0.1849   1.3464   0.2717   2.0483  -0.5323   1.7865  304.631  127.653  256.556  113.319 48.07513 170.6939 
1 1 1   -7   16   17 o  1351.95  145.105   29.668   6.0467   0.0000   0.0000   29.668   6.0467  ?   ?   1351.95  145.105 0.000000 145.1054 
1 1 1   -7   16   19 o  872.783  106.959   12.288   2.8619   13.443   4.0701   11.158   4.0249  901.861  149.355  815.977  163.231 85.88385 221.2492 
1 1 1   -7   16   23 o  684.452  182.368   7.9988   3.9789   0.0000   0.0000   7.9988   3.9789  ?   ?   684.452  182.368 0.000000 182.3677 
1 1 1   -7   16   25 o  1607.72  102.265   41.311   5.1214   30.017   7.0789   53.715   7.4186  1343.38  172.254  1822.83  130.846 -479.4486 216.3149 
1 1 1   -7   16   27 o  2056.26  160.682   69.272   10.264   69.272   10.264   0.0000   0.0000  2056.26  160.682  ?   ?  0.000000 160.6815 
1 1 1   -7   16   29 o  1502.85  107.749   36.200   5.0368   38.041   7.0089   34.233   7.2431  1525.23  148.645  1439.77  163.565 85.46326 221.0173 
1 1 1   -7   16   31 f  1193.42  154.034   23.548   5.6218   23.548   5.6218   0.0000   0.0000  1193.42  154.034  ?   ?  0.000000 154.0343 
1 1 1   -7   16   33 o  4795.33  278.206  415.092   41.594   0.0000   0.0000  415.092   41.594  ?   ?   4795.33  278.206 0.000000 278.2064 
1 1 1   -7   16   35 o  2612.19  123.453  110.400   10.098  107.773   14.214  113.077   14.347  2529.67  180.641  2594.33  177.683 -64.66626 253.3820 
1 1 1   -7   16   37 o  2425.88  174.654   99.383   13.178   99.383   13.178   0.0000   0.0000  2425.88  174.654  ?   ?  0.000000 174.6536 
1 1 1   -7   16   39 o  2414.75  175.885   99.430   13.208   99.430   13.208   0.0000   0.0000  2414.75  175.885  ?   ?  0.000000 175.8846 
1 1 1   -7   16   41 o  1413.30  160.327   34.299   6.9695   34.299   6.9695   0.0000   0.0000  1413.30  160.327  ?   ?  0.000000 160.3272 
1 1 1   -7   16   43 o  1953.44  114.852   63.589   6.9942   56.400   9.6754   71.457   10.122  1768.12  177.143  2012.73  161.985 -244.6176 240.0388 
1 1 1   -7   16   45 o  782.077  188.104   12.157   4.5501   12.157   4.5501   0.0000   0.0000  782.077  188.104  ?   ?  0.000000 188.1039 
1 1 1   -7   16   47 o  1175.73  176.835   27.848   6.3086   27.848   6.3086   0.0000   0.0000  1175.73  176.835  ?   ?  0.000000 176.8352 
1 1 1   -7   16   49 o  495.711  185.565   5.6441   3.8850   5.6441   3.8850   0.0000   0.0000  495.711  185.565  ?   ?  0.000000 185.5654 
1 1 1   -7   16   51 o  836.019  202.917   17.920   5.2583   17.920   5.2583   0.0000   0.0000  836.019  202.917  ?   ?  0.000000 202.9169 
1 1 1   -7   16   53 o  296.919  138.587  -0.0960   3.1743  -0.0960   3.1743   0.0000   0.0000  296.919  138.587  ?   ?  0.000000 138.5865 
1 1 1   -7   16   55 o  393.845  169.740   5.1031   3.8017   5.1031   3.8017   0.0000   0.0000  393.845  169.740  ?   ?  0.000000 169.7401 
1 1 1   -7   17    2 o  1521.97  102.936   36.754   4.8767   43.321   7.1944   31.172   6.6332  1643.86  141.139  1388.84  155.182 255.0127 209.7661 
1 1 1   -7   17    4 o  1471.26   99.190   34.326   4.5429   47.225   6.8139   24.003   6.0953  1720.35  127.396  1213.94  164.599 506.4141 208.1410 
1 1 1   -7   17    6 o  620.410  189.264   6.2586   4.0118   6.2586   4.0118   0.0000   0.0000  620.410  189.264  ?   ?  0.000000 189.2644 
1 1 1   -7   17   10 o  ?   ?   -5.5400   0.6257   0.0000   0.0000  -5.5400   0.6257  ?   ?   ?   ?  0.000000      ? 
1 1 1   -7   17   12 o  317.742  131.849   0.4247   2.1547   0.0000   0.0000   0.4247   2.1547  ?   ?   317.742  131.849 0.000000 131.8488 
1 1 1   -7   17   14 o  1265.70  145.591   25.982   5.6650   0.0000   0.0000   25.982   5.6650  ?   ?   1265.70  145.591 0.000000 145.5907 
1 1 1   -7   17   18 o  686.978  128.959   7.7790   2.6721   2.1753   4.1562   11.727   3.4888  474.010  187.994  845.438  136.432 -371.4278 232.2829 
1 1 1   -7   17   20 o  467.705  176.607   2.7113   3.5348   0.0000   0.0000   2.7113   3.5348  ?   ?   467.705  176.607 0.000000 176.6065 
1 1 1   -7   17   22 o  932.586  118.730   14.086   3.3885   15.822   4.5305   11.883   5.1048  979.361  152.717  833.520  198.444 145.8411 250.4050 
1 1 1   -7   17   24 f  1307.49  149.973   27.892   6.0290   27.892   6.0290   0.0000   0.0000  1307.49  149.973  ?   ?  0.000000 149.9731 
1 1 1   -7   17   26 o  1567.32  109.425   39.257   5.3365   39.422   7.4154   39.080   7.6859  1555.28  154.304  1545.74  161.166 9.529785 223.1242 
1 1 1   -7   17   28 o  2625.05  122.738  110.170   10.089  112.433   14.212  107.871   14.324  2619.43  174.269  2561.95  179.689 57.48828 250.3152 
1 1 1   -7   17   30 o  2987.63  130.835  143.422   12.240  141.145   17.249  145.732   17.370  2917.68  189.839  2966.48  187.974 -48.80078 267.1571 
1 1 1   -7   17   32 o  1507.18  155.057   37.374   7.2133   37.374   7.2133   0.0000   0.0000  1507.18  155.057  ?   ?  0.000000 155.0572 
1 1 1   -7   17   34 o  2137.83  166.493   75.735   11.057   75.735   11.057   0.0000   0.0000  2137.83  166.493  ?   ?  0.000000 166.4926 
1 1 1   -7   17   36 o  3238.77  203.616  179.166   20.544  179.166   20.544   0.0000   0.0000  3238.77  203.616  ?   ?  0.000000 203.6157 
1 1 1   -7   17   38 o  1367.83  114.216   30.406   4.8472   28.152   6.4895   33.249   7.2899  1291.18  164.230  1401.30  169.592 -110.1171 236.0779 
1 1 1   -7   17   40 o  1100.86  191.882   21.498   6.3738   0.0000   0.0000   21.498   6.3738  ?   ?   1100.86  191.882 0.000000 191.8815 
1 1 1   -7   17   42 o  748.570  189.113   10.442   4.4342   10.442   4.4342   0.0000   0.0000  748.570  189.113  ?   ?  0.000000 189.1125 
1 1 1   -7   17   44 o  1048.56  178.745   20.719   5.6583   20.719   5.6583   0.0000   0.0000  1048.56  178.745  ?   ?  0.000000 178.7449 
1 1 1   -7   17   46 o  601.083  170.422   7.2101   3.3550   9.0605   4.1519   3.7285   5.6950  657.403  190.600  488.629  209.110 168.7738 282.9410 
1 1 1   -7   17   48 o  1343.50  185.058   38.024   7.5785   38.024   7.5785   0.0000   0.0000  1343.50  185.058  ?   ?  0.000000 185.0581 
1 1 1   -7   17   50 o  832.675  200.990   16.741   5.1807   16.741   5.1807   0.0000   0.0000  832.675  200.990  ?   ?  0.000000 200.9899 
1 1 1   -7   17   52 o  265.362  125.569  -1.3646   2.7669   1.3316   3.2074  -9.2080   5.4706  337.908  150.410  278.256  139.906 59.65167 205.4183 
1 1 1   -7   17   54 o  683.547  269.894   27.690   8.5311   0.0000   0.0000   27.690   8.5311  ?   ?   683.547  269.894 0.000000 269.8940 
1 1 1   -7   18    1 o  482.634  183.987   2.6951   3.8595   2.6951   3.8595   0.0000   0.0000  482.634  183.987  ?   ?  0.000000 183.9868 
1 1 1   -7   18    3 o  1286.56  165.794   26.944   6.5237   26.944   6.5237   0.0000   0.0000  1286.56  165.794  ?   ?  0.000000 165.7945 
1 1 1   -7   18    5 o  1164.85  119.672   21.733   4.3029   17.136   6.1048   26.272   6.0658  1012.12  199.723  1272.88  155.418 -260.7645 253.0689 
1 1 1   -7   18    9 o  860.055  156.816   12.199   4.0675   0.0000   0.0000   12.199   4.0675  ?   ?   860.055  156.816 0.000000 156.8165 
1 1 1   -7   18   11 o  667.687  162.813   7.4433   3.3733   0.0000   0.0000   7.4433   3.3733  ?   ?   667.687  162.813 0.000000 162.8134 
1 1 1   -7   18   13 o  1068.69  148.993   18.624   4.8502   0.0000   0.0000   18.624   4.8502  ?   ?   1068.69  148.993 0.000000 148.9931 
1 1 1   -7   18   15 o  1280.11  147.396   26.586   5.8003   0.0000   0.0000   26.586   5.8003  ?   ?   1280.11  147.396 0.000000 147.3963 
1 1 1   -7   18   17 o  239.809  108.983  -1.0627   1.7858   0.0000   0.0000  -1.0627   1.7858  ?   ?   239.809  108.983 0.000000 108.9829 
1 1 1   -7   18   19 o  777.033  175.173   10.141   4.1602   0.0000   0.0000   10.141   4.1602  ?   ?   777.033  175.173 0.000000 175.1732 
1 1 1   -7   18   21 o  740.866  133.520   9.0154   2.9835   15.377   4.4454   3.8016   4.0245  968.119  151.623  524.426  190.144 443.6930 243.1957 
1 1 1   -7   18   23 o  1043.33  170.624   18.000   5.3814   0.0000   0.0000   18.000   5.3814  ?   ?   1043.33  170.624 0.000000 170.6236 
1 1 1   -7   18   25 o  1441.03  162.391   33.874   7.1997   0.0000   0.0000   33.874   7.1997  ?   ?   1441.03  162.391 0.000000 162.3907 
1 1 1   -7   18   27 o  2184.85  169.270   77.782   11.490   0.0000   0.0000   77.782   11.490  ?   ?   2184.85  169.270 0.000000 169.2700 
1 1 1   -7   18   29 o  544.876  188.553   4.5020   3.9184   4.5020   3.9184   0.0000   0.0000  544.876  188.553  ?   ?  0.000000 188.5531 
1 1 1   -7   18   31 o  2347.22  119.921   88.348   8.7844   87.819   12.295   88.900   12.555  2312.24  171.028  2324.78  173.730 -12.54419 243.7881 
1 1 1   -7   18   33 o  3127.41  135.462  157.817   13.265  161.102   18.677  154.473   18.844  3107.91  192.877  3036.88  199.268 71.02808 277.3256 
1 1 1   -7   18   35 o  426.133  157.315   2.4312   2.7730   2.4464   3.5060   2.4057   4.5318  453.932  174.794  489.766  195.647 -35.83435 262.3563 
1 1 1   -7   18   39 o  1396.43  164.732   33.157   7.0643   33.157   7.0643   0.0000   0.0000  1396.43  164.732  ?   ?  0.000000 164.7320 
1 1 1   -7   18   41 o  327.772  149.166  -1.4678   3.3602  -1.4678   3.3602   0.0000   0.0000  327.772  149.166  ?   ?  0.000000 149.1659 
1 1 1   -7   18   43 o  479.383  181.790   3.7042   3.7555   3.7042   3.7555   0.0000   0.0000  479.383  181.790  ?   ?  0.000000 181.7899 
1 1 1   -7   18   45 o  621.739  201.203   8.0402   4.4693   8.0402   4.4693   0.0000   0.0000  621.739  201.203  ?   ?  0.000000 201.2029 
1 1 1   -7   18   47 o  1383.81  130.959   34.624   5.6070   37.485   7.3847   30.729   8.6161  1370.61  176.144  1119.31  251.918 251.3026 307.3916 
1 1 1   -7   18   49 o  762.767  176.357   12.445   4.1280   14.217   5.0886   9.0348   7.0594  773.984  206.242  559.097  235.771 214.8875 313.2472 
1 1 1   -7   18   51 o  463.035  184.134   5.1755   3.9972   5.1755   3.9972   0.0000   0.0000  463.035  184.134  ?   ?  0.000000 184.1344 
1 1 1   -7   18   53 o  475.459  239.440   22.418   16.373   22.418   16.373   0.0000   0.0000  475.459  239.440  ?   ?  0.000000 239.4402 
1 1 1   -7   19    2 o  1917.96  164.932   59.339   9.8088   59.339   9.8088   0.0000   0.0000  1917.96  164.932  ?   ?  0.000000 164.9322 
1 1 1   -7   19    4 o  463.909  183.319   2.0172   3.9388   2.0172   3.9388   0.0000   0.0000  463.909  183.319  ?   ?  0.000000 183.3192 
1 1 1   -7   19    6 o  1206.92  170.287   23.806   6.2566   23.806   6.2566   0.0000   0.0000  1206.92  170.287  ?   ?  0.000000 170.2872 
1 1 1   -7   19    8 o  783.897  144.233   10.092   3.4099   7.8218   4.7573   12.491   4.8900  688.516  205.226  864.393  186.169 -175.8775 277.0858 
1 1 1   -7   19   10 o  632.574  205.000   6.3585   4.6384   0.0000   0.0000   6.3585   4.6384  ?   ?   632.574  205.000 0.000000 204.9997 
1 1 1   -7   19   12 o  918.857  194.428   14.151   5.4195   0.0000   0.0000   14.151   5.4195  ?   ?   918.857  194.428 0.000000 194.4277 
1 1 1   -7   19   14 o  932.067  154.941   14.245   4.3632   0.0000   0.0000   14.245   4.3632  ?   ?   932.067  154.941 0.000000 154.9412 
1 1 1   -7   19   16 o  397.339  137.774   2.2726   2.0926   2.5826   3.6913   2.1258   2.5402  472.249  179.954  408.349  150.602 63.89975 234.6586 
1 1 1   -7   19   18 o  899.876  125.652   13.095   3.4440   17.227   5.1356   9.7184   4.6426  1024.31  165.786  760.750  194.225 263.5573 255.3590 
1 1 1   -7   19   20 o  581.227  178.743   5.4604   3.5695   0.0000   0.0000   5.4604   3.5695  ?   ?   581.227  178.743 0.000000 178.7429 
1 1 1   -7   19   22 o  1967.38  160.381   62.443   9.7941   0.0000   0.0000   62.443   9.7941  ?   ?   1967.38  160.381 0.000000 160.3812 
1 1 1   -7   19   24 o  592.229  187.397   5.6334   3.8937   0.0000   0.0000   5.6334   3.8937  ?   ?   592.229  187.397 0.000000 187.3970 
1 1 1   -7   19   26 o  1003.97  169.273   16.677   5.1321   0.0000   0.0000   16.677   5.1321  ?   ?   1003.97  169.273 0.000000 169.2729 
1 1 1   -7   19   28 o  2379.72  120.009   90.417   8.9137   96.575   12.675   84.393   12.537  2437.83  167.056  2272.80  177.581 165.0359 243.8090 
1 1 1   -7   19   30 o  1459.69  118.584   34.188   5.3732   35.352   7.6613   33.061   7.5379  1466.29  170.021  1415.98  173.649 50.30310 243.0249 
1 1 1   -7   19   32 o  4741.08  179.061  368.186   26.583  367.166   37.566  369.209   37.620  4616.10  260.968  4629.58  260.577 -13.47217 368.7880 
1 1 1   -7   19   34 o  878.839  142.447   12.773   3.7858   7.4170   5.0263   19.794   5.7552  666.020  213.145  1086.16  175.179 -420.1387 275.8961 
1 1 1   -7   19   36 o  457.946  179.297   2.3348   3.7365   2.3348   3.7365   0.0000   0.0000  457.946  179.297  ?   ?  0.000000 179.2970 
1 1 1   -7   19   38 f  1270.23  123.599   26.469   4.8537   24.595   6.4355   28.941   7.3919  1196.27  177.162  1292.26  188.206 -95.99316 258.4724 
1 1 1   -7   19   40 o  679.253  171.313   8.2548   3.6431   5.6818   4.6441   12.372   5.8744  576.950  204.842  804.738  224.584 -227.7877 303.9711 
1 1 1   -7   19   42 o  264.135  125.762  -3.1353   2.8604  -0.7440   3.4923  -8.0089   4.9856  346.837  155.475  310.477  152.072 36.35956 217.4824 
1 1 1   -7   19   44 o  643.212  208.001   8.4535   4.7771   8.4535   4.7771   0.0000   0.0000  643.212  208.001  ?   ?  0.000000 208.0013 
1 1 1   -7   19   46 o  390.988  167.847   1.3301   3.6897   1.3301   3.6897   0.0000   0.0000  390.988  167.847  ?   ?  0.000000 167.8467 
1 1 1   -7   19   48 o  1129.55  136.757   23.624   4.7384   21.921   5.8656   26.822   8.0389  1018.70  190.902  1026.72  251.938 -8.021912 316.0955 
1 1 1   -7   19   50 o  1180.44  135.298   26.600   4.9106   21.657   5.9891   36.741   8.5781  959.425  205.547  1191.35  238.276 -231.9230 314.6822 
1 1 1   -7   20    1 o  939.013  125.404   14.199   3.5951   15.023   4.3905   12.524   6.2629  960.694  150.928  862.862  228.273 97.83258 273.6571 
1 1 1   -7   20    3 o  2281.10   99.465   82.051   7.1045   85.666   8.7574   75.093   12.151  2323.84  120.767  2157.30  181.565 166.5405 218.0612 
1 1 1   -7   20    5 o  1200.99  108.280   22.955   4.0282   21.243   5.0693   25.889   6.6351  1147.56  144.264  1261.42  172.507 -113.8567 224.8792 
1 1 1   -7   20    7 o  877.252  157.853   12.623   4.1766   12.623   4.1766   0.0000   0.0000  877.252  157.853  ?   ?  0.000000 157.8526 
1 1 1   -7   20    9 o  1268.76  172.669   26.190   6.6816   26.190   6.6816   0.0000   0.0000  1268.76  172.669  ?   ?  0.000000 172.6689 
1 1 1   -7   20   11 o  962.033  187.796   15.338   5.4541   15.338   5.4541   0.0000   0.0000  962.033  187.796  ?   ?  0.000000 187.7957 
1 1 1   -7   20   13 o  660.244  211.908   6.9206   4.9653   0.0000   0.0000   6.9206   4.9653  ?   ?   660.244  211.908 0.000000 211.9080 
1 1 1   -7   20   15 o  1710.78  113.834   46.454   6.0631   47.671   8.5315   45.213   8.6183  1721.91  160.066  1674.72  166.557 47.18506 231.0022 
1 1 1   -7   20   17 o  507.848  168.733   3.9277   3.1348   0.5337   4.5170   7.0811   4.3540  448.822  188.895  658.340  196.359 -209.5188 272.4675 
1 1 1   -7   20   19 o  2145.21  114.618   72.982   7.6712   82.303   10.966   64.047   10.736  2266.66  155.440  1992.38  173.823 274.2810 233.1864 
1 1 1   -7   20   21 o  1114.80  121.268   19.915   4.1649   20.847   6.2344   19.165   5.5970  1125.21  183.256  1081.25  171.003 43.96033 250.6485 
1 1 1   -7   20   23 o  2128.94  116.366   72.021   7.7279   75.374   11.112   68.880   10.755  2162.14  165.381  2065.52  167.735 96.61841 235.5545 
1 1 1   -7   20   25 o  1332.56  161.640   28.886   6.6065   0.0000   0.0000   28.886   6.6065  ?   ?   1332.56  161.640 0.000000 161.6403 
1 1 1   -7   20   27 o  427.222  174.664   1.1883   3.7081   0.0000   0.0000   1.1883   3.7081  ?   ?   427.222  174.664 0.000000 174.6638 
1 1 1   -7   20   29 o  1123.68  173.504   20.870   5.9081   0.0000   0.0000   20.870   5.9081  ?   ?   1123.68  173.504 0.000000 173.5040 
1 1 1   -7   20   31 f  1700.09  164.285   47.160   8.6365   0.0000   0.0000   47.160   8.6365  ?   ?   1700.09  164.285 0.000000 164.2848 
1 1 1   -7   20   33 o  1441.84  120.556   33.447   5.3929   40.371   7.9052   27.419   7.3756  1568.36  163.370  1278.80  189.968 289.5560 250.5546 
1 1 1   -7   20   35 o  1867.13  122.607   56.273   7.1283   59.308   10.397   53.581   9.7925  1886.36  178.123  1793.16  176.701 93.20447 250.9003 
1 1 1   -7   20   37 o  1531.27  183.398   40.110   8.6186   0.0000   0.0000   40.110   8.6186  ?   ?   1531.27  183.398 0.000000 183.3985 
1 1 1   -7   20   39 o  935.797  151.110   15.009   4.2770   19.644   5.5924   8.4775   6.6383  1058.95  174.753  684.486  244.705 374.4600 300.6978 
1 1 1   -7   20   41 o  1044.32  174.341   19.568   5.5000   19.568   5.5000   0.0000   0.0000  1044.32  174.341  ?   ?  0.000000 174.3409 
1 1 1   -7   20   43 o  796.595  202.849   12.480   5.0733   12.480   5.0733   0.0000   0.0000  796.595  202.849  ?   ?  0.000000 202.8493 
1 1 1   -7   20   45 o  552.551  203.748   5.9749   4.6490   5.9749   4.6490   0.0000   0.0000  552.551  203.748  ?   ?  0.000000 203.7479 
1 1 1   -7   20   47 o  404.140  170.305   1.9385   3.6792  -0.5139   4.3075   8.5530   7.0744  368.864  168.262  596.791  242.303 -227.9269 294.9960 
1 1 1   -7   20   49 o  1072.75  150.620   22.233   4.9200   19.997   6.0398   26.642   8.4824  933.097  211.590  970.220  269.554 -37.12250 342.6797 
1 1 1   -7   21    2 o  1051.77  122.644   17.698   3.9633   16.887   4.7976   19.441   7.0327  1020.52  155.013  1082.34  215.090 -61.82056 265.1279 
1 1 1   -7   21    4 o  437.832  163.167   2.3347   2.9971   1.3202   3.7248   4.1978   5.0476  435.139  176.117  573.407  212.132 -138.2681 275.7119 
1 1 1   -7   21    6 o  1109.86  116.617   19.645   3.9921   21.154   4.9699   16.901   6.7025  1147.46  141.308  1006.73  218.865 140.7330 260.5182 
1 1 1   -7   21    8 o  1261.14  109.704   25.260   4.2890   29.774   5.4529   17.937   6.9454  1366.56  128.958  1037.23  220.633 329.3232 255.5566 
1 1 1   -7   21   10 o  1380.02  104.629   30.178   4.4876   33.612   5.6798   24.473   7.3207  1453.11  126.079  1221.66  198.165 231.4541 234.8730 
1 1 1   -7   21   12 o  1590.64  204.840   41.222   9.9654   41.222   9.9654   0.0000   0.0000  1590.64  204.840  ?   ?  0.000000 204.8400 
1 1 1   -7   21   14 o  1696.52  202.675   46.805   10.553   46.805   10.553   0.0000   0.0000  1696.52  202.675  ?   ?  0.000000 202.6751 
1 1 1   -7   21   16 o  1000.67  264.556   16.966   8.4156   16.966   8.4156   0.0000   0.0000  1000.67  264.556  ?   ?  0.000000 264.5555 
1 1 1   -7   21   18 o  1292.22  140.656   26.796   5.5994   26.796   5.5994   0.0000   0.0000  1292.22  140.656  ?   ?  0.000000 140.6563 
1 1 1   -7   21   20 o  839.733  157.660   11.590   3.9933   14.648   5.7102   8.6617   5.5866  936.702  200.723  728.493  223.544 208.2091 300.4355 
1 1 1   -7   21   22 o  1502.39  169.203   36.558   7.8213   0.0000   0.0000   36.558   7.8213  ?   ?   1502.39  169.203 0.000000 169.2027 
1 1 1   -7   21   24 o  1245.27  124.000   24.827   4.7707   34.068   7.2812   17.876   6.3152  1450.35  163.161  1034.44  202.214 415.9106 259.8311 
1 1 1   -7   21   26 o  644.446  184.816   6.8704   3.9229   12.227   9.2479   5.6951   4.3320  865.726  289.865  602.858  198.260 262.8682 351.1817 
1 1 1   -7   21   28 o  2619.24  107.492  108.627   8.8159  116.456   11.186   95.794   14.322  2704.25  132.107  2424.22  190.199 280.0254 231.5773 
1 1 1   -7   21   30 o  1813.75  135.636   52.828   7.6474   47.798   13.169   55.388   9.3937  1670.38  260.257  1846.88  164.146 -176.4972 307.6971 
1 1 1   -7   21   32 o  1718.14  136.102   47.626   7.2623   43.795   12.912   49.399   8.7832  1581.37  270.487  1738.97  163.212 -157.6018 315.9136 
1 1 1   -7   21   34 o  458.299  185.867   1.7561   4.1578 -10.3341   10.684   3.9141   4.5136  515.507  244.751  536.141  200.150 -20.63367 316.1698 
1 1 1   -7   21   36 o  1631.47  171.410   44.838   8.6256   0.0000   0.0000   44.838   8.6256  ?   ?   1631.47  171.410 0.000000 171.4098 
1 1 1   -7   21   38 o  382.377  171.187  -1.1108   4.2194   6.7434   10.757  -2.5389   4.5870  701.987  293.220  372.636  171.339 329.3516 339.6101 
1 1 1   -7   21   40 o  1469.23  124.879   35.966   5.6906   43.488   7.8007   27.408   8.3199  1587.88  159.029  1199.67  229.849 388.2070 279.5008 
1 1 1   -7   21   42 o  546.758  215.930   4.7086   5.4618   8.0031   13.248   4.0339   5.9950  692.322  307.045  539.651  221.525 152.6713 378.6162 
1 1 1   -7   21   44 o  808.064  222.372   13.567   5.8036   13.567   5.8036   0.0000   0.0000  808.064  222.372  ?   ?  0.000000 222.3718 
1 1 1   -7   21   46 o  410.325  191.001  -1.6836   5.9648 -38.9512   14.110   6.4262   6.5819  ?   ?   568.299  232.565 0.000000 232.5648 
1 1 1   -7   21   48 o  645.272  197.470   9.1162   4.3628   9.0941   5.2322   9.1667   7.9033  622.867  217.750  596.129  250.323 26.73853 331.7776 
1 1 1   -7   22    1 o  1366.28  108.423   29.574   4.6004   28.608   5.5673   31.652   8.1684  1339.35  134.569  1397.15  191.772 -57.80298 234.2761 
1 1 1   -7   22    3 o  370.919  157.147   0.1303   3.1597   2.1599   3.8440  -4.0977   5.5481  467.421  182.174  408.847  188.155 58.57327 261.8968 
1 1 1   -7   22    5 o  448.964  170.608   2.2706   3.3120   4.5632   4.1485  -1.7593   5.5002  561.245  194.022  446.697  197.990 114.5479 277.2089 
1 1 1   -7   22    7 o  505.154  173.479   3.7111   3.3138   7.3706   4.1226  -2.9708   5.5708  670.868  188.465  428.189  193.756 242.6785 270.2971 
1 1 1   -7   22    9 o  482.335  173.000   3.1435   3.3205   6.4417   4.1674  -2.5911   5.4951  633.620  192.814  431.121  193.999 202.4997 273.5190 
1 1 1   -7   22   11 o  1430.69  139.936   32.676   6.1887   33.119   9.4840   32.347   8.1671  1420.99  220.279  1412.23  189.469 8.760132 290.5533 
1 1 1   -7   22   13 o  706.312  204.178   8.1675   4.7708   11.988   8.3224   6.2976   5.8225  861.876  274.105  658.263  229.728 203.6125 357.6428 
1 1 1   -7   22   15 o  1236.42  148.057   24.569   5.6181   22.638   9.3678   25.654   7.0208  1157.70  264.242  1255.34  184.079 -97.63745 322.0387 
1 1 1   -7   22   19 o  824.590  224.264   11.354   5.9436   11.354   5.9436   0.0000   0.0000  824.590  224.264  ?   ?  0.000000 224.2640 
1 1 1   -7   22   21 o  723.221  204.908   8.6522   4.8519   8.6522   4.8519   0.0000   0.0000  723.221  204.908  ?   ?  0.000000 204.9082 
1 1 1   -7   22   23 o  2041.41  224.093   68.348   14.089   68.348   14.089   0.0000   0.0000  2041.41  224.093  ?   ?  0.000000 224.0929 
1 1 1   -7   22   25 o  658.947  280.489   1.1004   10.147   1.1004   10.147   0.0000   0.0000  658.947  280.489  ?   ?  0.000000 280.4886 
1 1 1   -7   22   27 o  381.523  165.332  -0.4020   3.6468   4.8762   5.2125  -5.4623   5.1038  595.095  216.299  364.510  171.891 230.5844 276.2820 
1 1 1   -7   22   29 o  1618.00  137.777   42.064   6.9138   66.619   12.427   31.057   8.3203  2013.53  199.746  1368.17  200.131 645.3573 282.7555 
1 1 1   -7   22   31 o  1971.90  109.939   61.995   6.7612   57.654   8.7353   68.483   10.678  1887.13  149.042  2048.93  167.911 -161.7937 224.5166 
1 1 1   -7   22   33 o  1392.43  145.830   31.724   6.2640   37.663   12.127   29.563   7.3154  1444.49  278.204  1328.71  180.503 115.7832 331.6302 
1 1 1   -7   22   35 o  1070.79  137.784   18.943   4.5126   24.366   6.3116   13.272   6.4543  1199.90  172.986  856.602  234.003 343.2945 291.0005 
1 1 1   -7   22   37 o  688.582  221.322   8.4672   5.4148   0.0000   0.0000   8.4672   5.4148  ?   ?   688.582  221.322 0.000000 221.3224 
1 1 1   -7   22   39 o  520.675  202.201   3.7722   4.7225   2.4756   11.938   4.0127   5.1420  649.510  289.565  537.446  210.357 112.0634 357.9084 
1 1 1   -7   22   41 o  1142.60  188.391   23.693   6.5053   19.477   14.143   24.824   7.3263  882.193  347.766  1150.65  211.120 -268.4569 406.8331 
1 1 1   -7   22   43 o  529.996  257.467  -9.5536   13.478  -9.5536   13.478   0.0000   0.0000  529.996  257.467  ?   ?  0.000000 257.4673 
1 1 1   -7   22   45 o  795.461  186.746   12.283   4.5718   12.068   6.3391   12.516   6.5999  739.658  239.649  748.311  244.647 -8.652222 342.4671 
1 1 1   -7   22   47 o  787.229  195.219   12.769   4.7885   15.416   6.5226   9.6756   7.0524  811.250  239.962  635.705  247.033 175.5449 344.3939 
1 1 1   -7   23    2 f  579.433  211.543   4.3889   4.9938   10.408   7.4586  -0.5020   6.7231  810.609  259.671  522.902  225.542 287.7062 343.9445 
1 1 1   -7   23    4 o  644.428  202.112   6.5646   4.5387   6.5646   4.5387   0.0000   0.0000  644.428  202.112  ?   ?  0.000000 202.1117 
1 1 1   -7   23    6 o  481.481  179.548   2.8130   3.6302   8.0665   4.3619  -9.0274   6.5483  700.978  192.733  391.308  187.393 309.6703 268.8157 
1 1 1   -7   23    8 o  708.961  173.335   8.2923   3.8157   8.2216   4.6164   8.4448   6.7794  708.465  199.575  742.808  248.184 -34.34363 318.4741 
1 1 1   -7   23   10 o  902.375  195.322   13.463   5.3588   18.556   8.2962   9.8164   7.0198  1052.24  254.561  786.882  251.900 265.3629 358.1272 
1 1 1   -7   23   12 o  845.056  174.619   11.753   4.4677   13.390   6.0499   9.7897   6.6260  896.927  217.628  780.988  244.085 115.9388 327.0161 
1 1 1   -7   23   14 o  2045.51  180.982   67.097   11.472   0.0000   0.0000   67.097   11.472  ?   ?   2045.51  180.982 0.000000 180.9817 
1 1 1   -7   23   16 o  999.269  183.936   16.394   5.5432   17.283   9.6959   15.962   6.7562  1014.52  290.441  977.790  225.301 36.73309 367.5819 
1 1 1   -7   23   18 f  1109.44  163.906   19.962   5.5225   16.040   9.3448   22.066   6.8459  979.094  286.547  1159.96  195.429 -180.8682 346.8451 
1 1 1   -7   23   20 o  895.586  155.408   13.088   4.2001   18.575   5.4784   5.2647   6.5416  1067.73  169.527  645.347  240.948 422.3843 294.6103 
1 1 1   -7   23   22 f  792.721  178.313   10.420   4.3189   4.6723   5.6974   18.185   6.6220  605.441  225.097  1045.93  209.500 -440.4854 307.5042 
1 1 1   -7   23   24 o  940.289  210.205   14.801   6.0336   14.801   6.0336   0.0000   0.0000  940.289  210.205  ?   ?  0.000000 210.2046 
1 1 1   -7   23   26 o  2341.36  138.911   87.459   10.139   87.459   10.139   0.0000   0.0000  2341.36  138.911  ?   ?  0.000000 138.9109 
1 1 1   -7   23   28 o  2348.67  227.606   91.472   16.529   91.472   16.529   0.0000   0.0000  2348.67  227.606  ?   ?  0.000000 227.6060 
1 1 1   -7   23   30 o  922.352  313.084   14.593   10.790   14.593   10.790   0.0000   0.0000  922.352  313.084  ?   ?  0.000000 313.0839 
1 1 1   -7   23   32 o  1024.58  334.384   19.622   12.332   19.622   12.332   0.0000   0.0000  1024.58  334.384  ?   ?  0.000000 334.3839 
1 1 1   -7   23   34 o  467.547  180.890   2.5966   3.7686   1.3121   5.1327   4.0991   5.5511  481.938  202.017  566.421  219.430 -84.48343 298.2621 
1 1 1   -7   23   36 o  377.612  168.933  -1.2237   4.1012   4.3861   5.8032  -6.8212   5.7967  574.512  223.857  369.956  176.941 204.5560 285.3420 
1 1 1   -7   23   38 o  757.673  195.351   10.335   4.6644   10.210   7.4546   10.415   5.9795  743.603  259.915  749.696  231.473 -6.092957 348.0454 
1 1 1   -7   23   40 o  482.295  191.559   2.8957   4.3212   6.4721   6.7182   0.3721   5.6435  627.430  241.861  464.815  203.478 162.6152 316.0700 
1 1 1   -7   23   42 o  574.122  243.896   3.8838   7.6447   3.8838   7.6447   0.0000   0.0000  574.122  243.896  ?   ?  0.000000 243.8963 
1 1 1   -7   23   44 o  626.117  227.879   7.6839   5.7883  -2.4211   14.039   9.7536   6.3535  584.971  278.546  685.440  239.933 -100.4690 367.6355 
1 1 1   -7   24    1 o  561.427  213.851   3.5495   5.2116   2.9937   7.7983   3.9981   7.0057  631.933  255.156  630.031  245.829 1.901978 354.3118 
1 1 1   -7   24    3 o  823.338  199.862   11.206   5.1007   11.206   5.1007   0.0000   0.0000  823.338  199.862  ?   ?  0.000000 199.8619 
1 1 1   -7   24    5 o  1388.74  118.723   30.584   5.1130   31.841   6.1415   27.744   9.2297  1413.67  140.609  1297.85  235.801 115.8142 274.5415 
1 1 1   -7   24    7 o  473.314  191.167   1.5819   4.3788  -1.5493   5.6457   6.3092   6.9370  458.013  201.916  686.737  249.539 -228.7238 320.9981 
1 1 1   -7   24    9 o  769.601  259.559   8.9747   7.4157   0.0000   0.0000   8.9747   7.4157  ?   ?   769.601  259.559 0.000000 259.5585 
1 1 1   -7   24   11 f  1256.36  152.686   25.316   5.8832   37.611   8.1316   11.810   8.5223  1530.83  172.656  862.865  277.691 667.9680 326.9903 
1 1 1   -7   24   13 o  858.537  172.696   12.099   4.4817   12.936   5.4676   10.385   7.8240  883.892  201.969  814.570  266.373 69.32147 334.2842 
1 1 1   -7   24   15 f  304.886  141.703  -2.9103   3.2630  -5.4013   4.7967  -0.7645   4.4518  351.997  166.187  417.114  181.708 -65.11713 246.2435 
1 1 1   -7   24   17 o  454.802  191.206   0.4991   4.6202   17.317   8.4966  -6.5611   5.5052  1015.90  264.508  371.830  176.290 644.0654 317.8717 
1 1 1   -7   24   19 o  515.704  206.022   2.2090   5.0254   1.0812   9.6992   2.6228   5.8757  652.109  275.749  557.584  222.763 94.52533 354.4870 
1 1 1   -7   24   21 o  611.254  221.775   5.0459   5.4763   15.330   9.4564  -0.1434   6.7172  959.937  290.077  527.607  226.482 432.3303 368.0200 
1 1 1   -7   24   23 o  909.416  211.232   13.841   5.9000   3.1640   10.514   18.748   7.1281  706.731  292.088  1058.61  222.126 -351.8780 366.9543 
1 1 1   -7   24   25 f  1858.94  142.666   55.288   8.2410   63.273   13.298   50.310   10.500  1961.81  220.287  1756.63  194.144 205.1808 293.6297 
1 1 1   -7   24   27 o  785.592  190.854   10.392   4.6484   15.123   6.3243   4.8324   6.8554  943.267  218.424  635.067  244.454 308.1999 327.8215 
1 1 1   -7   24   29 o  1061.32  318.885   20.324   11.452   20.324   11.452   0.0000   0.0000  1061.32  318.885  ?   ?  0.000000 318.8846 
1 1 1   -7   24   31 o  1039.68  329.224   20.051   12.016   20.051   12.016   0.0000   0.0000  1039.68  329.224  ?   ?  0.000000 329.2236 
1 1 1   -7   24   33 o  1054.68  332.806   21.451   12.287   21.451   12.287   0.0000   0.0000  1054.68  332.806  ?   ?  0.000000 332.8065 
1 1 1   -7   24   35 o  638.987  292.597  -3.5296   13.189  -3.5296   13.189   0.0000   0.0000  638.987  292.597  ?   ?  0.000000 292.5970 
1 1 1   -7   24   37 f  423.862  194.628  -3.0281   5.8912  -3.0281   5.8912   0.0000   0.0000  423.862  194.628  ?   ?  0.000000 194.6283 
1 1 1   -7   24   39 o  657.732  247.721   7.2075   6.9439   7.2075   6.9439   0.0000   0.0000  657.732  247.721  ?   ?  0.000000 247.7209 
1 1 1   -7   24   41 o  836.422  259.195   14.117   7.4897   14.117   7.4897   0.0000   0.0000  836.422  259.195  ?   ?  0.000000 259.1951 
1 1 1   -7   24   43 f  713.125  227.536   10.071   5.7312   3.8537   8.8097   14.633   7.5464  590.418  256.413  830.307  260.647 -239.8888 365.6286 
1 1 1   -7   25    2 f  527.331  236.809  -3.6533   8.1405  -3.6533   8.1405   0.0000   0.0000  527.331  236.809  ?   ?  0.000000 236.8094 
1 1 1   -7   25    4 o  942.358  272.259   14.590   8.4849   0.0000   0.0000   14.590   8.4849  ?   ?   942.358  272.259 0.000000 272.2587 
1 1 1   -7   25    6 o  642.503  249.214   4.2835   7.1672   0.0000   0.0000   4.2835   7.1672  ?   ?   642.503  249.214 0.000000 249.2139 
1 1 1   -7   25    8 o  554.796  196.857   4.2404   4.2884   1.1109   5.2136   10.788   7.5409  496.839  205.540  824.629  260.776 -327.7902 332.0403 
1 1 1   -7   25   10 o  1550.54  122.577   38.085   5.9028   40.297   7.2396   33.698   10.195  1591.28  146.955  1434.73  235.083 156.5431 277.2361 
1 1 1   -7   25   12 o  380.956  171.378  -2.0841   4.2849  -7.3361   5.3812   7.0151   7.0830  356.580  170.526  709.551  252.863 -352.9713 304.9898 
1 1 1   -7   25   14 o  585.066  186.327   5.3372   3.8446   12.813   5.5183  -1.7146   5.3593  879.892  204.223  441.703  195.624 438.1891 282.8000 
1 1 1   -7   25   16 o  836.260  168.934   11.477   4.2713   12.289   5.8525   10.552   6.2480  860.415  217.203  802.901  234.112 57.51373 319.3513 
1 1 1   -7   25   18 o  734.762  211.803   8.8397   5.1403   7.2663   10.524   9.3327   5.8909  788.893  303.074  758.386  228.900 30.50696 379.8015 
1 1 1   -7   25   20 o  362.117  168.074  -3.9019   4.5662   10.935   9.2835  -8.6366   5.2444  845.419  290.359  333.928  161.843 511.4911 332.4173 
1 1 1   -7   25   22 o  616.984  221.779   5.2943   5.4598  -2.6687   11.112   7.8287   6.2688  635.331  281.515  711.510  238.650 -76.17834 369.0593 
1 1 1   -7   25   24 f  1051.70  160.538   18.056   5.1192   15.439   6.8988   21.262   7.6364  954.042  232.956  1124.52  224.732 -170.4755 323.6866 
1 1 1   -7   25   26 o  1056.39  211.593   18.809   6.7551  -0.6314   11.683   28.572   8.2793  670.738  293.217  1309.16  208.998 -638.4167 360.0787 
1 1 1   -7   25   28 o  354.401  164.521  -3.5775   4.3779   3.0274   6.1468 -10.3772   6.2368  567.514  227.450  358.956  174.553 208.5586 286.7093 
1 1 1   -7   25   30 o  328.440  160.579  -9.9189   5.4843  -6.0708   10.993 -11.1941   6.3281  574.100  264.444  354.003  172.953 220.0963 315.9801 
1 1 1   -7   25   32 o  452.284  192.044   0.5809   4.7356  -0.2055   6.4766   1.4844   6.9418  503.856  219.338  552.375  233.413 -48.51920 320.2981 
1 1 1   -7   25   34 o  638.180  212.688   6.7479   4.9794   0.1843   6.7382   14.644   7.3908  516.712  224.327  898.982  252.269 -382.2701 337.5829 
1 1 1   -7   25   36 o  1039.56  229.399   19.457   7.2670   19.457   7.2670   0.0000   0.0000  1039.56  229.399  ?   ?  0.000000 229.3986 
1 1 1   -7   25   38 o  545.240  232.538   1.8095   6.9990   1.8095   6.9990   0.0000   0.0000  545.240  232.538  ?   ?  0.000000 232.5380 
1 1 1   -7   25   40 o  463.707  213.772  -3.2034   7.2044  -3.2034   7.2044   0.0000   0.0000  463.707  213.772  ?   ?  0.000000 213.7716 
1 1 1   -7   26    1 o  648.081  251.944   4.2848   7.3379   4.2848   7.3379   0.0000   0.0000  648.081  251.944  ?   ?  0.000000 251.9443 
1 1 1   -7   26    3 o  666.898  203.826   7.0807   4.6498   3.9321   5.7796   12.858   7.8292  591.513  225.230  888.846  262.895 -297.3329 346.1823 
1 1 1   -7   26    5 o  865.508  186.989   12.314   4.9196   17.629   6.0990   2.4149   8.3232  1038.21  194.764  637.973  261.353 400.2380 325.9422 
1 1 1   -7   26    7 o  953.740  226.593   15.063   6.6668   17.867   9.6437   12.497   9.2268  1037.52  287.115  892.081  289.135 145.4391 407.4731 
1 1 1   -7   26    9 o  751.062  238.154   8.8863   6.2860   6.2697   9.2397   11.141   8.5768  742.990  284.330  847.780  278.976 -104.7893 398.3354 
1 1 1   -7   26   11 o  595.695  235.092   3.2632   6.4700   6.1718   9.7350   0.9620   8.6591  752.339  290.826  620.473  261.358 131.8661 391.0088 
1 1 1   -7   26   13 o  1384.39  127.282   30.457   5.4557   39.819   7.4299   19.503   8.0368  1580.16  152.041  1082.44  243.066 497.7240 286.7012 
1 1 1   -7   26   15 o  379.966  167.264  -1.0390   3.8606  -6.2508   5.5878   3.7209   5.3400  380.044  179.411  569.777  216.606 -189.7330 281.2583 
1 1 1   -7   26   17 o  379.514  172.991  -2.8391   4.5424   3.1886   9.6247  -4.5664   5.1523  687.086  281.209  382.095  177.745 304.9906 332.6736 
1 1 1   -7   26   19 o  787.030  212.876   10.294   5.3727   15.795   11.087   8.6056   6.1420  981.973  316.812  735.529  235.641 246.4445 394.8378 
1 1 1   -7   26   21 o  683.995  221.316   7.4029   5.4077   17.174   10.696   4.0479   6.2677  1008.60  309.289  603.970  233.389 404.6277 387.4662 
1 1 1   -7   26   23 o  433.224  190.433  -1.1004   4.9883  -2.5272   10.571  -0.6917   5.6578  617.536  274.058  471.301  205.085 146.2354 342.2980 
1 1 1   -7   26   25 o  609.899  207.390   5.6855   4.7347   3.3910   6.9778   7.6432   6.4455  605.238  242.419  703.807  241.927 -98.56836 342.4847 
1 1 1   -7   26   27 o  669.485  234.183   6.8110   6.0521  -8.7380   12.520   11.552   6.9136  597.598  277.688  824.824  247.755 -227.2254 372.1465 
1 1 1   -7   26   29 o  1052.01  178.149   18.443   5.6589   18.540   7.7857   18.335   8.2394  1031.71  244.706  1021.96  257.570 9.752441 355.2794 
1 1 1   -7   26   31 o  741.513  219.503   9.4023   5.4562   8.1626   7.4911   10.803   7.9628  724.166  259.836  800.444  268.968 -76.27789 373.9764 
1 1 1   -7   26   33 o  578.837  235.048   3.1801   6.6582   1.4851   13.373   3.7388   7.6775  716.369  313.421  618.765  251.961 97.60358 402.1404 
1 1 1   -7   26   35 o  565.064  218.313   4.0919   5.4833   7.9087   7.1672  -1.2952   8.5148  701.581  253.842  549.238  244.728 152.3428 352.6017 
1 1 1   -7   26   37 o  500.057  210.646   1.4717   5.6252   10.358   8.2359  -6.2984   7.7015  767.909  272.772  451.655  212.426 316.2538 345.7308 
1 1 1   -7   26   39 o  555.096  244.335   0.4847   8.2362   0.0000   0.0000   0.4847   8.2362  ?   ?   555.096  244.335 0.000000 244.3347 
1 1 1   -7   27    2 o  954.732  221.145   15.088   6.4813   15.088   6.4813   0.0000   0.0000  954.732  221.145  ?   ?  0.000000 221.1451 
1 1 1   -7   27    4 o  719.531  205.898   8.4277   4.8739   3.9751   6.1418   16.000   8.0097  603.528  231.611  981.431  257.440 -377.9039 346.2937 
1 1 1   -7   27    6 o  552.803  207.601   3.6299   4.8700   1.9095   6.1124   6.6203   8.0586  551.051  224.652  722.222  267.868 -171.1709 349.6021 
1 1 1   -7   27    8 o  472.482  196.698   0.8195   4.8179  -2.8112   5.9392   7.8067   8.2392  448.805  201.847  754.944  272.317 -306.1386 338.9669 
1 1 1   -7   27   10 o  605.124  214.754   5.0880   5.1038   4.1326   6.2040   7.0886   8.9774  608.775  232.982  753.370  282.072 -144.5953 365.8483 
1 1 1   -7   27   12 o  745.000  228.120   8.9276   5.8212   4.8564   11.014   10.506   6.8573  756.509  304.012  806.691  247.686 -50.18195 392.1376 
1 1 1   -7   27   14 o  779.509  224.986   9.9716   5.7968  -9.0782   11.355   16.686   6.7414  571.984  265.328  1001.72  220.866 -429.7410 345.2255 
1 1 1   -7   27   16 o  852.631  222.229   12.114   5.9934   5.4083   10.595   15.270   7.2681  752.982  299.676  954.382  242.666 -201.3997 385.6065 
1 1 1   -7   27   18 o  612.230  209.023   5.5894   4.8097   2.3043   6.7772   8.9229   6.8270  579.969  236.510  754.577  248.924 -174.6080 343.3661 
1 1 1   -7   27   20 o  556.670  219.721   2.9711   5.6523   13.357   10.970  -0.7824   6.5950  920.267  315.662  509.413  221.544 410.8540 385.6479 
1 1 1   -7   27   22 o  1764.58  153.372   49.980   8.3900   57.575   14.188   45.895   10.404  1859.53  249.995  1675.07  202.472 184.4617 321.7020 
1 1 1   -7   27   24 o  781.594  233.782   10.176   6.1653   10.442   11.994   10.080   7.1876  864.945  325.607  787.364  255.192 77.58081 413.6946 
1 1 1   -7   27   26 f  555.696  208.577   3.9094   4.9146  -1.2522   7.5554   7.6954   6.4707  533.330  234.403  704.919  242.394 -171.5893 337.1941 
1 1 1   -7   27   28 o  980.202  216.279   16.376   6.4601   25.072   13.735   13.905   7.3205  1171.58  348.592  897.297  250.810 274.2814 429.4438 
1 1 1   -7   27   30 o  388.831  181.949  -5.0042   5.5288  -8.8763   13.424  -4.2133   6.0673  616.371  286.787  424.383  195.830 191.9884 347.2692 
1 1 1   -7   27   32 o  650.073  225.649   6.6318   5.6139   14.877   8.4084   0.0002   7.5408  914.956  272.870  546.848  237.360 368.1085 361.6597 
1 1 1   -7   27   34 o  335.457  166.630 -15.4948   6.7571   0.0000   0.0000 -15.4948   6.7571  ?   ?   335.457  166.630 0.000000 166.6301 
1 1 1   -7   27   36 o  483.559  212.852  -0.6247   6.2508   9.8046   9.5625  -8.4061   8.2599  776.240  291.023  451.710  214.680 324.5307 361.6378 
1 1 1   -7   28    1 o  719.098  242.527   7.7826   6.4744   7.7826   6.4744   0.0000   0.0000  719.098  242.527  ?   ?  0.000000 242.5265 
1 1 1   -7   28    3 o  516.455  219.119   0.2831   6.1573   0.2831   6.1573   0.0000   0.0000  516.455  219.119  ?   ?  0.000000 219.1186 
1 1 1   -7   28    5 o  585.070  248.030   0.5011   7.8791   0.5011   7.8791   0.0000   0.0000  585.070  248.030  ?   ?  0.000000 248.0296 
1 1 1   -7   28    7 o  1364.05  183.362   30.048   7.6333   57.243   12.279   12.916   9.7454  1883.24  211.905  906.196  297.334 977.0398 365.1176 
1 1 1   -7   28    9 o  641.730  217.989   6.1246   5.2309   7.4994   6.6057   3.8129   8.5658  712.324  244.912  671.089  268.663 41.23553 363.5405 
1 1 1   -7   28   11 o  957.039  185.887   15.049   5.3697   19.569   7.1248   9.1054   8.1699  1087.95  216.756  784.703  272.223 303.2521 347.9778 
1 1 1   -7   28   13 o  641.495  209.597   6.3630   4.8445   8.7049   6.8071   3.9596   6.8961  750.185  248.614  623.919  243.773 126.2665 348.1867 
1 1 1   -7   28   15 o  524.295  219.610   0.9167   6.0582   16.546   11.879  -4.5772   7.0430  1008.76  328.141  467.683  214.032 541.0793 391.7732 
1 1 1   -7   28   17 o  1564.25  167.183   39.353   8.0619   54.780   13.900   31.533   9.8966  1822.45  250.178  1378.85  237.808 443.5908 345.1684 
1 1 1   -7   28   19 o  1674.16  151.232   44.869   7.8423  175.020   14.840  -5.5649   9.2377  3321.92  142.665  537.179  245.570 2784.740 284.0035 
1 1 1   -7   28   21 o  1150.76  211.684   22.001   7.3466   16.906   13.925   23.966   8.6481  1025.38  355.415  1193.99  239.643 -168.6089 428.6590 
1 1 1   -7   28   23 o  1121.34  209.154   20.953   7.0736   26.783   12.987   18.494   8.4345  1234.15  329.775  1040.03  259.766 194.1113 419.7977 
1 1 1   -7   28   25 o  523.179  221.705   0.6477   6.2914   0.7162   12.343   0.6237   7.3128  709.810  305.878  559.601  238.154 150.2094 387.6584 
1 1 1   -7   28   27 o  474.129  200.709   0.5310   5.1475   9.5871   7.7542  -6.6042   6.8829  777.260  265.401  429.500  201.625 347.7598 333.3020 
1 1 1   -7   28   29 o  626.256  250.432   3.8899   7.4336   0.0000   0.0000   3.8899   7.4336  ?   ?   626.256  250.432 0.000000 250.4321 
1 1 1   -7   28   31 o  844.028  269.521   12.192   8.0401   0.0000   0.0000   12.192   8.0401  ?   ?   844.028  269.521 0.000000 269.5213 
1 1 1   -7   28   33 o  990.481  209.435   16.874   6.2924   3.8868   9.6018   26.650   8.3307  673.721  278.843  1245.55  221.727 -571.8332 356.2529 
1 1 1   -7   29    2 o  637.200  230.493   5.4519   5.9088  -2.3502   8.8314   11.775   7.9505  571.165  252.131  856.287  267.329 -285.1224 367.4705 
1 1 1   -7   29    4 o  495.865  203.816   1.3119   5.0830   7.7511   6.4920  -8.8889   8.1712  718.208  242.854  461.167  217.478 257.0410 325.9981 
1 1 1   -7   29    6 o  1053.90  327.336   18.217   11.938   18.217   11.938   0.0000   0.0000  1053.90  327.336  ?   ?  0.000000 327.3359 
1 1 1   -7   29    8 o  419.027  198.752  -8.3699   7.0122  -8.3699   7.0122   0.0000   0.0000  419.027  198.752  ?   ?  0.000000 198.7523 
1 1 1   -7   29   10 o  1312.17  196.726   28.001   7.8338   28.001   7.8338   0.0000   0.0000  1312.17  196.726  ?   ?  0.000000 196.7262 
1 1 1   -7   29   12 o  467.920  201.500  -0.3626   5.3486   2.9745   6.8862  -5.4373   8.4918  600.858  240.766  514.133  235.190 86.72455 336.5750 
1 1 1   -7   29   14 o  1097.39  179.787   19.637   5.9638   27.818   7.8467   8.4474   9.1769  1306.18  198.063  786.029  286.800 520.1555 348.5446 
1 1 1   -7   29   16 o  438.349  194.885  -1.8538   5.3687  -7.7446   7.2903   5.1260   7.9357  436.973  205.873  679.696  262.625 -242.7228 333.6995 
1 1 1   -7   29   18 o  440.499  192.504  -0.9348   5.0321  -5.6916   7.4737   3.0099   6.8059  469.558  216.910  597.166  239.333 -127.6071 323.0022 
1 1 1   -7   29   20 o  656.468  220.716   6.5796   5.3621   8.5026   7.7720   4.8327   7.4075  757.206  265.350  656.625  253.727 100.5803 367.1350 
1 1 1   -7   29   22 o  304.053  151.841 -15.6838   5.9309  -9.3596   12.869 -17.3892   6.6829  611.084  283.111  324.262  161.815 286.8213 326.0916 
1 1 1   -7   29   24 o  596.634  242.416   2.7309   7.0871   0.0000   0.0000   2.7309   7.0871  ?   ?   596.634  242.416 0.000000 242.4157 
1 1 1   -7   29   26 o  565.704  240.598   0.6790   7.4550   0.0000   0.0000   0.6790   7.4550  ?   ?   565.704  240.598 0.000000 240.5982 
1 1 1   -7   29   28 o  665.167  258.142   5.1857   7.6932   0.0000   0.0000   5.1857   7.6932  ?   ?   665.167  258.142 0.000000 258.1424 
1 1 1   -7   29   30 o  511.147  225.418  -1.3331   7.0424  -6.0782   15.038  -0.0001   7.9704  689.140  314.372  566.641  244.988 122.4988 398.5583 
1 1 1   -7   30    1 o  676.958  226.511   6.9236   5.6471   1.9708   7.3444   14.087   8.8323  595.624  244.927  929.005  280.254 -333.3807 372.1984 
1 1 1   -7   30    3 o  854.632  237.086   12.044   6.5672   14.648   10.076   10.120   8.6590  953.977  301.417  821.073  280.457 132.9044 411.7139 
1 1 1   -7   30    5 o  729.153  253.970   7.7114   7.1145   7.8760   11.576   7.6115   9.0189  827.232  317.850  766.546  283.564 60.68567 425.9540 
1 1 1   -7   30    7 o  350.580  168.162  -7.5820   5.3213  -8.3599   6.9500  -6.4797   8.2726  416.663  197.700  493.401  228.024 -76.73813 301.7955 
1 1 1   -7   30    9 f  918.872  225.916   14.031   6.4545   10.991   8.2005   18.981   10.464  836.763  272.663  1065.49  300.581 -228.7295 405.8248 
1 1 1   -7   30   11 o  768.307  266.064   8.7081   7.8027   8.7081   7.8027   0.0000   0.0000  768.307  266.064  ?   ?  0.000000 266.0635 
1 1 1   -7   30   13 o  1003.69  257.389   16.867   8.1279   16.867   8.1279   0.0000   0.0000  1003.69  257.389  ?   ?  0.000000 257.3892 
1 1 1   -7   30   15 o  673.015  262.141   4.7592   7.9556   4.7592   7.9556   0.0000   0.0000  673.015  262.141  ?   ?  0.000000 262.1410 
1 1 1   -7   30   17 o  324.392  161.180 -15.4201   6.3399 -23.0731   9.6959  -9.7044   8.3793  402.570  199.905  459.207  217.651 -56.63745 295.5233 
1 1 1   -7   30   19 o  424.245  193.160  -3.3726   5.6429  -5.2862   7.4172  -0.7428   8.6949  472.840  217.585  588.557  255.171 -115.7173 335.3439 
1 1 1   -7   30   21 o  522.689  225.627  -0.4147   6.7389 -10.4544   10.709   6.1680   8.6711  534.042  250.955  719.672  275.434 -185.6299 372.6151 
1 1 1   -7   30   23 o  965.933  285.673   15.742   9.2450   0.0000   0.0000   15.742   9.2450  ?   ?   965.933  285.673 0.000000 285.6732 
1 1 1   -7   30   25 o  559.117  224.009   2.7017   5.9600   3.2766   8.7700   2.2084   8.1245  658.388  268.829  618.591  256.300 39.79724 371.4280 
1 1 1   -7   31    2 o  544.068  221.158   1.9463   5.9020  -6.4738   7.7921   13.278   9.0396  474.944  220.130  909.733  285.221 -434.7882 360.2892 
1 1 1   -7   31    4 o  753.696  284.989   6.8097   9.2126   0.0000   0.0000   6.8097   9.2126  ?   ?   753.696  284.989 0.000000 284.9887 
1 1 1   -7   31    6 o  689.734  236.587   6.9985   6.1625   5.2746   8.0054   9.5059   9.6547  688.742  264.399  823.864  295.048 -135.1215 396.1817 
1 1 1   -7   31    8 o  876.932  238.295   12.712   6.7140   10.003   8.3488   17.670   11.296  813.365  275.399  1038.25  317.750 -224.8812 420.4877 
1 1 1   -7   31   10 o  796.789  245.697   10.195   6.7394   17.527   8.4698  -2.4587   11.127  1024.58  262.747  645.756  284.122 378.8240 386.9902 
1 1 1   -7   31   12 o  879.615  238.625   12.817   6.7393   16.242   8.3697   6.5017   11.365  986.953  265.170  795.796  312.366 191.1566 409.7413 
1 1 1   -7   31   14 o  993.565  225.507   16.412   6.8551   22.633   8.6115   5.6488   11.326  1166.42  243.638  778.394  309.826 388.0287 394.1468 
1 1 1   -7   31   16 o  1016.73  325.888   16.801   11.746   16.801   11.746   0.0000   0.0000  1016.73  325.888  ?   ?  0.000000 325.8885 
1 1 1   -7   31   18 o  810.821  314.125   7.4679   11.377   7.4679   11.377   0.0000   0.0000  810.821  314.125  ?   ?  0.000000 314.1250 
1 1 1   -7   31   20 o  892.575  344.561   9.6051   13.650   9.6051   13.650   0.0000   0.0000  892.575  344.561  ?   ?  0.000000 344.5613 
1 1 1   -7   32    1 f  476.634  212.866  -2.6065   6.4818  -3.8688   8.2968  -0.6294   10.384  530.232  238.509  650.497  280.438 -120.2649 368.1464 
1 1 1   -7   32    3 o  623.474  252.255   2.7861   7.6388   20.621   12.436  -8.0192   9.6801  1116.87  331.573  528.813  245.188 588.0533 412.3808 
1 1 1   -7   32    5 o  766.077  258.560   8.8246   7.3588   13.929   11.121   4.8492   9.8148  949.949  317.870  728.691  288.926 221.2585 429.5575 
1 1 1   -7   32    7 f  451.986  205.021  -3.5705   6.2817  -3.1449   8.1873  -4.1794   9.7945  536.520  239.452  579.928  260.139 -43.40796 353.5663 
1 1 1   -7   32    9 o  500.470  221.181  -2.0101   6.8158  -4.7210   8.4766   2.9480   11.464  524.741  238.075  737.955  304.996 -213.2141 386.9140 
1 1 1   -7   32   11 o  539.868  240.054  -2.7951   8.1485   0.6137   10.964  -7.0009   12.179  686.083  291.788  623.157  283.742 62.92651 407.0008 
1 1 1   -7   32   13 o  414.316  200.481 -12.8027   7.9708 -16.0540   11.538  -9.8348   11.024  515.638  247.411  554.984  258.779 -39.34692 358.0207 
1 1 1   -6    0    6 o  2021.42   35.558   64.041   2.2491   64.041   2.2491   64.041   2.2491  2021.42   35.558  2021.42   35.558 -0.000000 0.000000 
1 1 1   -6    0    8 o  7387.40  247.709  862.738   57.154  862.738   57.154  862.738   57.154  7387.40  247.709  7387.40  247.709 -0.000000 0.000000 
1 1 1   -6    0   10 o  1397.67   97.130   31.058   4.2037   31.058   4.2037   31.058   4.2037  1397.67   97.130  1397.67   97.130 -0.000000 0.000000 
1 1 1   -6    0   12 o  495.595  111.466   4.3851   1.5096   4.3851   1.5096   4.3851   1.5096  495.595  111.466  495.595  111.466 -0.000000 0.000000 
1 1 1   -6    0   14 o  118.225   75.293   0.0513   0.6139   0.0513   0.6139   0.0513   0.6139  118.225   75.293  118.225   75.293 -0.000000 0.000000 
1 1 1   -6    0   16 o 11384.58  379.460  2102.90  134.929  2102.90  134.929  2102.90  134.929 11384.58  379.460 11384.58  379.460 -0.000000 0.000000 
1 1 1   -6    0   18 o  4627.55  169.720  339.359   24.517  339.359   24.517  339.359   24.517  4627.55  169.720  4627.55  169.720 -0.000000 0.000000 
1 1 1   -6    0   22 o  5553.77  283.280  499.652   48.970  499.652   48.970  499.652   48.970  5553.77  283.280  5553.77  283.280 -0.000000 0.000000 
1 1 1   -6    0   24 o  2920.95  181.174  136.785   16.425  136.785   16.425  136.785   16.425  2920.95  181.174  2920.95  181.174 -0.000000 0.000000 
1 1 1   -6    0   26 f  749.313  103.934   9.3261   2.3046   9.3261   2.3046   9.3261   2.3046  749.313  103.934  749.313  103.934 -0.000000 0.000000 
1 1 1   -6    0   28 o  2101.12  109.668   70.207   7.1703   70.207   7.1703   70.207   7.1703  2101.12  109.668  2101.12  109.668 -0.000000 0.000000 
1 1 1   -6    0   30 o  1530.22  101.511   37.428   4.8148   37.428   4.8148   37.428   4.8148  1530.22  101.511  1530.22  101.511 -0.000000 0.000000 
1 1 1   -6    0   32 o  3539.21  206.596  204.924   22.717  204.924   22.717  204.924   22.717  3539.21  206.596  3539.21  206.596 -0.000000 0.000000 
1 1 1   -6    0   34 o  3202.58  194.766  167.727   19.366  167.727   19.366  167.727   19.366  3202.58  194.766  3202.58  194.766 -0.000000 0.000000 
1 1 1   -6    0   42 o  1072.91  163.312   19.603   5.1095   19.603   5.1095   19.603   5.1095  1072.91  163.312  1072.91  163.312 -0.000000 0.000000 
1 1 1   -6    0   44 o  3122.23  192.589  159.185   18.664  159.185   18.664  159.185   18.664  3122.23  192.589  3122.23  192.589 -0.000000 0.000000 
1 1 1   -6    0   46 o  305.497  179.598   1.7863   2.9106   1.7863   2.9106   1.7863   2.9106  305.497  179.598  305.497  179.598 -0.000000 0.000000 
1 1 1   -6    0   48 o  382.594  201.012   3.4597   3.1875   3.4597   3.1875   3.4597   3.1875  382.594  201.012  382.594  201.012 -0.000000 0.000000 
1 1 1   -6    0   50 o  153.707  109.120  -2.9447   2.2269  -2.9447   2.2269  -2.9447   2.2269  153.707  109.120  153.707  109.120 -0.000000 0.000000 
1 1 1   -6    0   52 o  2814.51  184.962  130.228   16.139  130.228   16.139  130.228   16.139  2814.51  184.962  2814.51  184.962 -0.000000 0.000000 
1 1 1   -6    0   54 o  497.494  230.337   6.0239   3.9634   6.0239   3.9634   6.0239   3.9634  497.494  230.337  497.494  230.337 -0.000000 0.000000 
1 1 1   -6    0   56 o  1568.75  163.074   41.545   7.8123   41.545   7.8123   41.545   7.8123  1568.75  163.074  1568.75  163.074 -0.000000 0.000000 
1 1 1   -6    0   58 f  4241.68  254.075  322.125   33.468  322.125   33.468  322.125   33.468  4241.68  254.075  4241.68  254.075 -0.000000 0.000000 
1 1 1   -6    0   60 o  345.733  201.643   2.7007   3.6195   2.7007   3.6195   2.7007   3.6195  345.733  201.643  345.733  201.643 -0.000000 0.000000 
1 1 1   -6    0   62 o  2126.23  173.778   77.511   11.392   77.511   11.392   77.511   11.392  2126.23  173.778  2126.23  173.778 -0.000000 0.000000 
1 1 1   -6    1    5 o  162.384   63.188   0.2502   0.4619   0.2130   0.6591   0.2861   0.6475  183.078   74.090  187.202   74.214 -4.124008 104.8664 
1 1 1   -6    1    7 o  914.175   56.067   13.142   1.5972   10.632   2.2531   15.677   2.2644  818.533   89.361  997.460   73.007 -178.9269 115.3924 
1 1 1   -6    1    9 o  4169.15  109.835  272.898   14.339  279.769   20.280  266.030   20.276  4215.66  153.630  4110.27  157.542 105.3911 220.0495 
1 1 1   -6    1   11 o  900.946   64.874   12.789   1.8179   13.835   2.5630   11.730   2.5789  934.857   88.615  858.945   97.618 75.91144 131.8403 
1 1 1   -6    1   13 o  2957.60   88.555  137.332   8.2011  137.265   11.598  137.399   11.599  2952.76  125.436  2954.21  125.385 -1.451172 177.3567 
1 1 1   -6    1   15 o  506.513   69.626   4.1011   1.0751   3.6964   1.5220   4.5041   1.5188  475.437  105.034  527.180   95.525 -51.74350 141.9763 
1 1 1   -6    1   17 o  1837.32   83.262   53.085   4.7901   55.152   5.8745   48.984   8.2750  1868.17  100.797  1749.54  152.578 118.6230 182.8663 
1 1 1   -6    1   19 o  442.263  105.382   3.2123   1.4386   3.2123   1.4386   0.0000   0.0000  442.263  105.382  ?   ?  0.000000 105.3825 
1 1 1   -6    1   21 o  1412.05   97.135   31.623   4.2687   35.395   6.0529   27.890   6.0208  1486.72  131.374  1313.91  148.977 172.8118 198.6285 
1 1 1   -6    1   23 o  1320.72   79.580   27.587   3.2757   28.019   5.6966   27.374   4.0038  1317.37  140.256  1312.15   98.160 5.219482 171.1934 
1 1 1   -6    1   25 o  715.182   80.568   8.1768   1.7728   8.8447   3.0759   7.8446   2.1694  730.810  139.507  695.826  102.651 34.98407 173.2029 
1 1 1   -6    1   27 o  1969.67  108.045   62.251   6.6383   59.640   9.4019   64.847   9.3740  1900.97  159.424  1987.36  151.784 -86.39490 220.1234 
1 1 1   -6    1   29 o  2782.61  101.514  124.468   8.8449  122.546   10.838  128.303   15.306  2741.58  126.246  2746.37  178.965 -4.796387 219.0125 
1 1 1   -6    1   31 o  893.272   81.239   12.853   2.2475   11.269   2.7295   16.189   3.9604  826.972  107.987  982.624  132.061 -155.6519 170.5912 
1 1 1   -6    1   33 o  2314.33  114.802   87.964   8.3194   77.248   11.729   98.815   11.802  2092.81  180.755  2399.70  157.953 -306.8889 240.0448 
1 1 1   -6    1   35 o  1736.94  159.085   52.978   8.5562   0.0000   0.0000   52.978   8.5562  ?   ?   1736.94  159.085 0.000000 159.0848 
1 1 1   -6    1   37 o  1217.80  154.714   26.674   5.7665   0.0000   0.0000   26.674   5.7665  ?   ?   1217.80  154.714 0.000000 154.7142 
1 1 1   -6    1   39 o  1431.23  160.275   37.552   7.0595   37.552   7.0595   0.0000   0.0000  1431.23  160.275  ?   ?  0.000000 160.2746 
1 1 1   -6    1   41 o  3603.83  284.175  304.927   31.807  304.927   31.807   0.0000   0.0000  3603.83  284.175  ?   ?  0.000000 284.1749 
1 1 1   -6    1   43 o  1182.06  167.570   26.101   6.0287   26.101   6.0287   0.0000   0.0000  1182.06  167.570  ?   ?  0.000000 167.5699 
1 1 1   -6    1   45 o  3706.37  168.007  261.013   19.498  281.871   27.632  240.329   27.517  3470.55  256.081  3069.53  289.724 401.0256 386.6751 
1 1 1   -6    1   47 o  941.256  116.621   15.683   3.3636   16.857   4.8886   14.627   4.6351  912.232  177.533  844.302  180.780 67.93011 253.3760 
1 1 1   -6    1   49 o  263.036  116.836  -0.1362   1.9253   2.6150   2.9832  -2.1000   2.5204  396.805  158.659  251.219  119.158 145.5860 198.4215 
1 1 1   -6    1   51 o  2630.40  143.699  137.482   11.791  146.270   16.747  128.844   16.603  2361.05  229.426  2124.40  254.672 236.6497 342.7746 
1 1 1   -6    1   53 o  985.102  129.681   20.219   3.9029   24.485   5.6266   16.263   5.4184  947.747  196.068  684.349  221.545 263.3990 295.8459 
1 1 1   -6    1   55 o  1403.63  136.203   47.663   5.9109   40.847   8.3245   54.595   8.3946  774.100  274.314  1143.74  241.954 -369.6380 365.7733 
1 1 1   -6    1   57 o  1331.27  152.593   53.708   6.2460   66.843   8.9878   41.440   8.6864  937.463  282.689  496.179  230.806 441.2837 364.9445 
1 1 1   -6    1   59 o  324.239  156.528   12.421   4.7911   0.0000   0.0000   12.421   4.7911  ?   ?   324.239  156.528 0.000000 156.5276 
1 1 1   -6    1   61 o  539.859  202.038   27.757   4.6047   30.675   6.7370   25.200   6.3082  304.372  153.322  292.197  147.333 12.17441 212.6375 
1 1 1   -6    1   63 o  374.947  180.667   51.331   6.3094   61.128   9.0265   41.972   8.8226  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6    2    2 o  200.820   71.192   0.5436   0.5607   0.8996   0.8077   0.2123   0.7791  250.607   85.656  196.429   80.156 54.17798 117.3114 
1 1 1   -6    2    4 o  178.413   67.118   0.3618   0.5095   0.6053   0.7257   0.1251   0.7154  220.175   80.603  183.579   76.058 36.59613 110.8227 
1 1 1   -6    2    6 o 13411.94  447.171  2932.50  187.794  3002.03  265.561  2862.95  265.602 13300.30  637.654 12945.16  657.408 355.1436 915.8539 
1 1 1   -6    2    8 f 13528.68  314.226  2929.54  133.111  3063.08  188.253  2796.01  188.243 13691.71  439.103 13053.95  460.532 637.7598 636.3184 
1 1 1   -6    2   10 o  1384.60   66.109   30.049   2.8662   30.420   4.0513   29.676   4.0554  1389.20   93.682  1371.91   94.990 17.29578 133.4144 
1 1 1   -6    2   12 o  1504.84   68.599   35.508   3.2324   35.052   4.5718   35.963   4.5708  1490.74   98.498  1510.22   97.173 -19.48096 138.3630 
1 1 1   -6    2   14 o  2605.60   95.582  106.709   7.7983  109.389   9.5598  101.378   13.482  2635.72  115.833  2523.14  171.667 112.5769 207.0915 
1 1 1   -6    2   16 o  4686.74  138.747  347.702   20.362  354.278   24.946  334.576   35.243  4718.45  168.846  4536.51  249.055 181.9375 300.8946 
1 1 1   -6    2   18 o  5106.14  149.412  414.887   23.889  417.527   29.266  409.616   41.353  5101.70  183.202  4981.19  266.094 120.5146 323.0617 
1 1 1   -6    2   20 o  478.384   72.278   3.6786   1.0489   3.8228   1.4941   3.5384   1.4730  483.090  101.973  464.289  103.910 18.80078 145.5879 
1 1 1   -6    2   22 o  1956.21  105.270   60.719   6.4244   64.819   9.1056   56.655   9.0656  2009.42  145.708  1874.55  155.861 134.8628 213.3618 
1 1 1   -6    2   24 o  554.152  105.194   5.0267   1.7586   4.5405   2.5988   5.4374   2.3885  525.018  150.384  571.989  135.448 -46.96997 202.3891 
1 1 1   -6    2   26 o  1356.07   99.781   29.406   4.2071   26.826   5.9997   31.901   5.9010  1276.85  153.117  1400.47  136.293 -123.6198 204.9890 
1 1 1   -6    2   28 o  2801.56  125.665  127.293   11.024  125.841   15.620  128.733   15.560  2727.31  183.987  2761.96  180.916 -34.65503 258.0344 
1 1 1   -6    2   30 o  2035.27  160.816   70.103   10.165   0.0000   0.0000   70.103   10.165  ?   ?   2035.27  160.816 0.000000 160.8155 
1 1 1   -6    2   32 o  1826.43  107.814   54.463   6.1385   60.158   8.6588   48.708   8.7038  1886.69  147.748  1679.05  167.798 207.6404 223.5746 
1 1 1   -6    2   34 o  898.920  102.666   13.343   2.8379   14.300   3.9836   12.358   4.0440  909.086  144.800  835.049  160.492 74.03748 216.1594 
1 1 1   -6    2   36 o  1353.75   82.552   29.809   3.4826   30.488   4.2727   28.464   6.0112  1356.47  101.327  1265.67  154.912 90.80298 185.1081 
1 1 1   -6    2   38 o  3353.99  116.355  190.809   12.220  200.779   14.984  171.010   21.116  3378.40  141.642  2839.68  239.717 538.7241 278.4362 
1 1 1   -6    2   40 o  2677.73  129.095  123.916   10.824  128.976   15.376  118.946   15.240  2588.20  191.083  2466.10  199.053 122.1016 275.9256 
1 1 1   -6    2   42 o  1511.32  164.904   42.029   7.6771   42.029   7.6771   0.0000   0.0000  1511.32  164.904  ?   ?  0.000000 164.9038 
1 1 1   -6    2   44 o  3639.58  320.239  353.121   36.124  353.121   36.124   0.0000   0.0000  3639.58  320.239  ?   ?  0.000000 320.2387 
1 1 1   -6    2   46 o  1523.58  172.556   45.329   8.0870   45.329   8.0870   0.0000   0.0000  1523.58  172.556  ?   ?  0.000000 172.5560 
1 1 1   -6    2   48 o  806.316  124.520   11.810   3.0426   10.978   4.5377   12.489   4.1010  700.699  198.036  782.404  172.076 -81.70526 262.3513 
1 1 1   -6    2   50 o  694.753  139.211   9.3613   2.9229   6.8580   4.3511   11.420   3.9458  533.790  197.057  727.741  175.252 -193.9509 263.7137 
1 1 1   -6    2   52 o  1819.29  126.889   65.037   7.1832   55.233   10.242   74.529   10.077  1335.86  254.137  1759.52  185.711 -423.6526 314.7604 
1 1 1   -6    2   54 f  2071.42  148.718  103.354   9.5818  112.284   13.671   94.730   13.434  1560.27  290.510  1227.50  338.539 332.7631 446.0989 
1 1 1   -6    2   56 o  703.952  165.203   15.273   3.5789   19.000   5.3275   12.208   4.8315  556.093  215.093  436.131  189.649 119.9622 286.7610 
1 1 1   -6    2   58 o  449.890  225.167   98.010   13.376   98.010   13.376   0.0000   0.0000  449.890  225.167  ?   ?  0.000000 225.1671 
1 1 1   -6    2   60 o  ?   ?   139.793   17.050   0.0000   0.0000  139.793   17.050  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6    2   62 o  ?   ?   194.009   15.255  220.007   21.741  168.798   21.410  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6    3    1 o  116.843   50.004  -0.0193   0.3257  -0.2822   0.5272   0.1430   0.4141  132.924   59.926  145.990   58.851 -13.06549 83.99163 
1 1 1   -6    3    3 o   97.715   43.309  -0.0953   0.2632  -0.4551   0.4917   0.0492   0.3115  118.087   54.925  120.660   50.107 -2.573029 74.34702 
1 1 1   -6    3    5 o  3490.43  112.831  191.253   12.332  192.774   21.343  190.490   15.109  3489.49  196.132  3481.10  138.611 8.394531 240.1677 
1 1 1   -6    3    7 o  516.987   66.045   4.2568   1.0447   3.8075   1.4642   4.7227   1.4911  483.733   99.970  541.350   91.207 -57.61682 135.3244 
1 1 1   -6    3    9 o  1129.35   65.645   20.058   2.3114   20.267   3.2671   19.849   3.2705  1132.73   92.932  1120.76   94.062 11.96619 132.2270 
1 1 1   -6    3   11 o  4130.31  125.928  268.392   16.286  273.525   19.958  258.160   28.177  4164.80  153.040  4023.60  224.538 141.1995 271.7329 
1 1 1   -6    3   13 o  4675.07  139.651  344.859   20.443  343.173   25.047  348.224   35.383  4654.36  171.859  4655.23  243.586 -0.8745117 298.1102 
1 1 1   -6    3   15 o  5802.65  166.252  534.901   30.207  529.506   37.005  545.677   52.297  5751.38  205.478  5769.46  290.412 -18.07178 355.7535 
1 1 1   -6    3   17 o  6562.89  186.002  690.232   38.223  688.274   46.823  694.141   66.178  6514.46  229.544  6417.45  330.456 97.01270 402.3571 
1 1 1   -6    3   19 o  1857.88   85.019   54.352   4.9460   54.725   6.0651   53.611   8.5454  1858.64  104.640  1828.17  150.619 30.47461 183.4007 
1 1 1   -6    3   21 o  2142.25   89.564   72.365   6.0079   72.215   7.3661   72.663   10.384  2133.28  110.653  2125.60  157.123 7.675293 192.1763 
1 1 1   -6    3   23 o  4449.16  166.430  319.120   23.186  328.899   32.800  309.352   32.780  4446.91  236.405  4303.97  244.242 142.9395 339.9136 
1 1 1   -6    3   25 o  1637.87  102.106   42.775   5.2105   41.952   7.4280   43.573   7.3110  1605.52  149.472  1638.72  143.939 -33.19348 207.5096 
1 1 1   -6    3   27 o  343.621  120.194   1.7099   1.5943   0.0000   0.0000   1.7099   1.5943  ?   ?   343.621  120.194 0.000000 120.1942 
1 1 1   -6    3   29 o  1177.22  143.360   23.156   5.1754   0.0000   0.0000   23.156   5.1754  ?   ?   1177.22  143.360 0.000000 143.3597 
1 1 1   -6    3   31 o  1277.29  100.741   26.507   3.9964   25.994   5.7187   26.997   5.5872  1237.84  150.648  1266.17  143.454 -28.33069 208.0239 
1 1 1   -6    3   33 f  1449.39  102.426   34.318   4.6186   34.565   6.5829   34.079   6.4816  1421.67  150.150  1412.62  148.770 9.042725 211.3703 
1 1 1   -6    3   35 o  1680.96   85.910   45.850   4.5068   45.387   5.5334   46.764   7.7672  1656.32  107.269  1636.92  153.324 19.40015 187.1229 
1 1 1   -6    3   37 o  684.475   92.587   7.8119   1.9335   8.4999   2.3955   6.5262   3.2748  704.914  112.298  588.538  168.882 116.3763 202.8101 
1 1 1   -6    3   39 o  2909.40  105.264  141.536   9.5896  148.884   11.766  127.002   16.549  2939.88  127.819  2520.43  211.652 419.4492 247.2540 
1 1 1   -6    3   41 o  2095.21   93.539   72.306   6.1368   69.693   7.5370   77.445   10.570  2023.01  119.512  2059.47  165.309 -36.45642 203.9862 
1 1 1   -6    3   43 f  3379.30  152.599  205.338   16.147  206.237   22.936  204.455   22.736  3113.67  237.032  3105.05  235.602 8.617432 334.2042 
1 1 1   -6    3   45 o  536.835  182.721   5.7487   3.6753   5.7487   3.6753   0.0000   0.0000  536.835  182.721  ?   ?  0.000000 182.7207 
1 1 1   -6    3   47 o  1273.69  172.728   32.104   6.7111   32.104   6.7111   0.0000   0.0000  1273.69  172.728  ?   ?  0.000000 172.7279 
1 1 1   -6    3   49 f  2218.40  210.320  111.023   14.435  111.023   14.435   0.0000   0.0000  2218.40  210.320  ?   ?  0.000000 210.3203 
1 1 1   -6    3   51 o  370.461  141.508   2.5395   2.2860  -1.3489   3.7670   4.8060   2.8760  313.028  147.632  467.815  161.559 -154.7877 218.8530 
1 1 1   -6    3   53 o  762.598  142.569   12.826   3.2792   12.594   4.9448   13.009   4.3812  597.117  211.439  660.326  196.975 -63.20923 288.9733 
1 1 1   -6    3   55 o  888.544  141.458   19.554   3.8038   24.187   5.7034   15.842   5.1049  744.172  225.367  559.561  212.009 184.6105 309.4155 
1 1 1   -6    3   57 o  483.373  244.137  145.784   17.744  145.784   17.744   0.0000   0.0000  483.373  244.137  ?   ?  0.000000 244.1371 
1 1 1   -6    3   59 o  642.647  187.511   20.519   4.0070   27.908   6.1808   15.162   5.2628  425.321  196.750  334.891  162.263 90.42969 255.0290 
1 1 1   -6    3   61 o  ?   ?   143.019   17.304   0.0000   0.0000  143.019   17.304  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6    4    2 o  5409.61  134.855  459.963   22.843  454.420   32.307  465.504   32.302  5366.07  192.275  5431.64  189.926 -65.56836 270.2618 
1 1 1   -6    4    4 o  1348.43   66.085   28.494   2.7903   28.574   3.9472   28.415   3.9450  1346.36   94.222  1342.57   94.442 3.794312 133.4055 
1 1 1   -6    4    6 o  1610.31   67.893   40.642   3.4233   40.204   4.8385   41.082   4.8442  1597.76   97.174  1615.26   96.212 -17.50049 136.7467 
1 1 1   -6    4    8 o  1871.08   85.115   54.916   4.9867   52.554   6.1134   59.614   8.6204  1826.22  107.381  1940.93  142.844 -114.7118 178.7040 
1 1 1   -6    4   10 o  3232.23  107.655  164.166   10.896  165.273   13.354  161.961   18.846  3240.18  131.616  3192.83  189.351 47.34570 230.6005 
1 1 1   -6    4   12 o  3687.97  115.641  214.068   13.354  220.391   16.368  201.481   23.095  3737.49  139.861  3551.10  208.616 186.3901 251.1609 
1 1 1   -6    4   14 o  817.242   92.383   10.634   2.3226   11.411   3.2928   9.8654   3.2765  840.658  129.230  778.472  139.540 62.18555 190.1886 
1 1 1   -6    4   16 o  4588.73  168.367  335.698   24.192  345.112   34.221  326.293   34.204  4605.99  238.087  4473.32  245.121 132.6753 341.7162 
1 1 1   -6    4   18 o  727.061   94.630   8.4697   2.1033   8.5513   2.9864   8.3893   2.9627  722.422  137.035  715.356  137.259 7.066895 193.9551 
1 1 1   -6    4   20 o  2273.39  110.743   81.750   7.8833   85.456   11.163   78.062   11.135  2308.10  155.359  2203.02  162.560 105.0835 224.8604 
1 1 1   -6    4   22 o  1744.59  102.203   48.302   5.5587   48.505   7.8687   48.100   7.8537  1736.18  146.099  1728.77  146.461 7.413818 206.8715 
1 1 1   -6    4   24 o  930.565  137.959   14.160   3.8981   0.0000   0.0000   14.160   3.8981  ?   ?   930.565  137.959 0.000000 137.9592 
1 1 1   -6    4   26 o  2112.60  109.652   71.535   7.2286   71.254   10.228   71.814   10.218  2082.80  158.005  2091.51  157.168 -8.713135 222.8616 
1 1 1   -6    4   28 o  930.367  140.636   14.460   3.9692   0.0000   0.0000   14.460   3.9692  ?   ?   930.367  140.636 0.000000 140.6356 
1 1 1   -6    4   30 o  1055.77  141.587   18.738   4.5627   0.0000   0.0000   18.738   4.5627  ?   ?   1055.77  141.587 0.000000 141.5865 
1 1 1   -6    4   32 o  2430.53  174.949  102.432   13.226   0.0000   0.0000  102.432   13.226  ?   ?   2430.53  174.949 0.000000 174.9493 
1 1 1   -6    4   34 o  1059.75  145.775   19.375   4.7092   0.0000   0.0000   19.375   4.7092  ?   ?   1059.75  145.775 0.000000 145.7752 
1 1 1   -6    4   36 f  2549.92  189.166  121.160   14.996   0.0000   0.0000  121.160   14.996  ?   ?   2549.92  189.166 0.000000 189.1664 
1 1 1   -6    4   38 f  1989.09  112.155   66.686   6.9569   65.562   9.8304   67.815   9.8466  1892.01  167.670  1929.43  164.555 -37.42639 234.9286 
1 1 1   -6    4   40 o  3867.30  166.991  271.783   20.222  287.639   28.613  255.960   28.583  3673.91  250.212  3387.16  271.785 286.7441 369.4229 
1 1 1   -6    4   42 o  1174.77  102.389   23.087   3.7287   22.147   5.2478   24.045   5.2990  1106.35  155.798  1159.20  149.469 -52.85229 215.9030 
1 1 1   -6    4   44 o  4719.69  217.738  460.585   32.178  475.042   45.515  446.139   45.499  3989.33  368.533  3749.64  393.384 239.6875 539.0430 
1 1 1   -6    4   46 o  640.146  167.190   8.1054   3.3878   0.0000   0.0000   8.1054   3.3878  ?   ?   640.146  167.190 0.000000 167.1902 
1 1 1   -6    4   56 f  ?   ?   285.462   30.328  285.462   30.328   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6    4   58 o  1060.06  199.489   48.729   6.3787   32.112   9.2657   63.698   8.7943  344.498  174.223  727.491  277.632 -382.9926 327.7701 
1 1 1   -6    4   60 o  ?   ?   246.720   18.540  267.416   26.408  226.603   26.035  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6    4   62 o  ?   ?    49.384   8.4956   0.0000   0.0000   49.384   8.4956  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6    5    1 o  828.207   87.633   10.879   2.2381   14.416   3.1927   7.4619   3.1383  952.016  109.069  675.212  152.088 276.8038 187.1542 
1 1 1   -6    5    3 o  1746.25   82.776   47.822   4.5261   46.198   5.5493   51.050   7.8227  1712.38  103.988  1796.02  140.212 -83.63977 174.5650 
1 1 1   -6    5    5 o  7329.34  247.220  854.334   56.737  816.460   80.237  892.210   80.240  7093.62  362.443  7435.69  344.629 -342.0669 500.1342 
1 1 1   -6    5    7 o  5062.33  178.354  404.829   28.272  441.276   39.991  368.416   39.973  5265.42  242.557  4795.80  267.250 469.6187 360.9103 
1 1 1   -6    5    9 o  1659.46   98.978   43.409   5.1197   46.731   7.2525   40.109   7.2281  1717.06  136.005  1588.17  147.017 128.8838 200.2778 
1 1 1   -6    5   11 o  1556.03   98.118   38.206   4.7561   40.501   6.7319   35.918   6.7205  1596.70  135.942  1501.45  144.738 95.25330 198.5682 
1 1 1   -6    5   13 f  3742.23  145.177  221.600   17.012  219.152   24.060  224.046   24.056  3695.19  208.795  3737.39  206.362 -42.20337 293.5655 
1 1 1   -6    5   15 o  554.594   97.983   4.9860   1.6393   5.5965   2.3272   4.3848   2.3095  583.479  130.632  517.385  139.415 66.09430 191.0529 
1 1 1   -6    5   17 o  2365.22  162.017   89.637   11.927   89.637   11.927   0.0000   0.0000  2365.22  162.017  ?   ?  0.000000 162.0170 
1 1 1   -6    5   19 o  1223.35   94.711   23.736   3.5997   26.130   5.0998   21.359   5.0819  1277.15  129.306  1150.00  144.305 127.1541 193.7622 
1 1 1   -6    5   21 o  978.459   92.061   15.237   2.7874   17.774   3.9800   12.794   3.9051  1051.26  123.246  884.289  146.136 166.9718 191.1683 
1 1 1   -6    5   23 o  911.088  136.874   13.550   3.7841   0.0000   0.0000   13.550   3.7841  ?   ?   911.088  136.874 0.000000 136.8738 
1 1 1   -6    5   25 o  1501.20   99.690   35.990   4.6594   34.853   6.6173   37.108   6.5619  1460.69  146.660  1510.16  140.374 -49.46851 203.0122 
1 1 1   -6    5   27 o  2922.67  127.342  138.424   11.654  145.472   16.491  131.395   16.471  2942.69  179.839  2785.33  189.984 157.3525 261.6027 
1 1 1   -6    5   29 o  2259.31  165.675   86.198   11.639   0.0000   0.0000   86.198   11.639  ?   ?   2259.31  165.675 0.000000 165.6750 
1 1 1   -6    5   31 o  1245.27  142.564   26.076   5.4588   0.0000   0.0000   26.076   5.4588  ?   ?   1245.27  142.564 0.000000 142.5643 
1 1 1   -6    5   33 o  2467.45  177.417  106.850   13.616   0.0000   0.0000  106.850   13.616  ?   ?   2467.45  177.417 0.000000 177.4174 
1 1 1   -6    5   35 o  1889.59  160.908   63.001   9.4299   0.0000   0.0000   63.001   9.4299  ?   ?   1889.59  160.908 0.000000 160.9076 
1 1 1   -6    5   37 o  1403.93  150.938   34.974   6.5311   0.0000   0.0000   34.974   6.5311  ?   ?   1403.93  150.938 0.000000 150.9378 
1 1 1   -6    5   39 o  1293.46  101.278   27.829   4.0691   29.723   5.7684   25.952   5.7410  1299.38  144.208  1202.42  156.167 96.95459 212.5657 
1 1 1   -6    5   41 o  2231.51  116.977   84.054   8.1452   86.040   11.522   82.071   11.516  2171.42  170.839  2112.03  175.733 59.38818 245.0874 
1 1 1   -6    5   43 o  1405.39  103.371   33.089   4.5170   33.379   6.3782   32.797   6.3979  1361.73  152.189  1347.20  154.456 14.53479 216.8371 
1 1 1   -6    5   45 o  3592.11  161.466  240.004   18.161  258.878   25.708  221.199   25.660  3408.01  242.489  3034.82  272.946 373.1863 365.1034 
1 1 1   -6    5   47 o  1904.33  113.333   62.983   6.7274   59.767   9.4846   66.239   9.5437  1738.93  176.641  1852.38  166.310 -113.4514 242.6130 
1 1 1   -6    5   49 o  1816.80  179.447   68.039   10.075   0.0000   0.0000   68.039   10.075  ?   ?   1816.80  179.447 0.000000 179.4469 
1 1 1   -6    5   59 o  456.946  217.290   50.387   8.4848   0.0000   0.0000   50.387   8.4848  ?   ?   456.946  217.290 0.000000 217.2899 
1 1 1   -6    5   61 o  286.026  140.671   12.439   4.4053   0.0000   0.0000   12.439   4.4053  ?   ?   286.026  140.671 0.000000 140.6710 
1 1 1   -6    6    2 f  4383.01  231.483  306.341   31.657   0.0000   0.0000  306.341   31.657  ?   ?   4383.01  231.483 0.000000 231.4831 
1 1 1   -6    6    4 o  3100.23  183.900  152.534   17.773   0.0000   0.0000  152.534   17.773  ?   ?   3100.23  183.900 0.000000 183.9005 
1 1 1   -6    6    6 o  1466.30  138.536   34.168   6.2853   0.0000   0.0000   34.168   6.2853  ?   ?   1466.30  138.536 0.000000 138.5355 
1 1 1   -6    6    8 o  3183.17  187.071  161.212   18.564   0.0000   0.0000  161.212   18.564  ?   ?   3183.17  187.071 0.000000 187.0712 
1 1 1   -6    6   10 o  2241.91  157.307   79.913   10.973   0.0000   0.0000   79.913   10.973  ?   ?   2241.91  157.307 0.000000 157.3071 
1 1 1   -6    6   12 o  271.627   92.852   1.0618   0.9491   0.9296   1.3453   1.1929   1.3392  287.692  108.876  303.007  109.714 -15.31479 154.5672 
1 1 1   -6    6   14 o  2317.04  111.577   84.698   8.0951   85.839   11.448   83.556   11.449  2318.45  158.647  2286.62  160.923 31.82471 225.9756 
1 1 1   -6    6   16 o  1821.64  147.453   53.060   8.3386   53.060   8.3386   0.0000   0.0000  1821.64  147.453  ?   ?  0.000000 147.4527 
1 1 1   -6    6   18 o  1439.69   97.215   32.828   4.3568   34.218   6.1771   31.452   6.1459  1462.02  136.511  1399.81  142.191 62.20593 197.1124 
1 1 1   -6    6   20 o  1951.94  105.368   60.400   6.4162   61.612   9.0797   59.192   9.0681  1959.45  149.105  1919.43  152.125 40.02332 213.0126 
1 1 1   -6    6   22 o  1374.71   97.120   30.033   4.1537   29.979   5.8883   30.086   5.8603  1362.76  139.980  1365.47  139.000 -2.712891 197.2701 
1 1 1   -6    6   24 o  2998.98  128.044  144.193   12.024  148.167   17.017  140.231   16.992  2999.62  182.041  2913.80  187.223 85.82202 261.1350 
1 1 1   -6    6   26 o  1949.66  105.923   60.997   6.4422   63.998   9.1380   58.032   9.0834  1974.15  148.923  1875.10  156.125 99.05591 215.7622 
1 1 1   -6    6   28 o  1586.87  146.813   41.831   7.2123   0.0000   0.0000   41.831   7.2123  ?   ?   1586.87  146.813 0.000000 146.8128 
1 1 1   -6    6   30 f  2737.67  184.040  129.111   15.685   0.0000   0.0000  129.111   15.685  ?   ?   2737.67  184.040 0.000000 184.0404 
1 1 1   -6    6   32 o  1219.78  144.323   25.199   5.4054   0.0000   0.0000   25.199   5.4054  ?   ?   1219.78  144.323 0.000000 144.3230 
1 1 1   -6    6   34 o  463.670  140.564   3.7113   2.2179   0.0000   0.0000   3.7113   2.2179  ?   ?   463.670  140.564 0.000000 140.5643 
1 1 1   -6    6   36 o  1722.39  156.644   52.507   8.3558   0.0000   0.0000   52.507   8.3558  ?   ?   1722.39  156.644 0.000000 156.6437 
1 1 1   -6    6   38 o  1995.40  166.127   71.714   10.285   0.0000   0.0000   71.714   10.285  ?   ?   1995.40  166.127 0.000000 166.1271 
1 1 1   -6    6   40 o  1385.34  150.388   33.807   6.4188   0.0000   0.0000   33.807   6.4188  ?   ?   1385.34  150.388 0.000000 150.3881 
1 1 1   -6    6   42 o  3578.23  155.772  227.618   17.453  231.659   24.703  223.591   24.662  3356.38  236.563  3280.06  241.829 76.32153 338.2943 
1 1 1   -6    6   44 o  3029.03  140.101  162.021   13.288  153.184   18.795  170.852   18.789  2717.84  222.809  2919.48  206.877 -201.6353 304.0430 
1 1 1   -6    6   46 o  3885.29  177.548  292.612   21.600  297.280   30.559  287.951   30.536  3422.12  287.855  3334.87  295.483 87.24829 412.5180 
1 1 1   -6    6   48 o  880.385  107.067   13.473   2.8908   17.117   4.0986   9.8657   4.0778  961.795  140.216  683.863  185.661 277.9318 232.6594 
1 1 1   -6    6   50 o  1455.83  108.867   37.734   4.9269   42.404   6.9595   33.043   6.9757  1458.77  154.723  1231.68  186.729 227.0916 242.5018 
1 1 1   -6    6   52 o  2006.61  292.437  150.904   17.834   0.0000   0.0000  150.904   17.834  ?   ?   2006.61  292.437 0.000000 292.4370 
1 1 1   -6    6   54 o  1225.88  247.481   58.432   9.1723   0.0000   0.0000   58.432   9.1723  ?   ?   1225.88  247.481 0.000000 247.4814 
1 1 1   -6    6   62 o  ?   ?    54.400   8.8798   0.0000   0.0000   54.400   8.8798  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6    7    1 o  4971.10  177.343  391.337   27.605  422.109   39.046  360.585   39.033  5137.45  242.721  4732.23  264.475 405.2178 358.9714 
1 1 1   -6    7    3 o  1328.41  136.798   28.105   5.6088   28.105   5.6088   0.0000   0.0000  1328.41  136.798  ?   ?  0.000000 136.7980 
1 1 1   -6    7    5 o  943.372  133.842   14.303   3.8427   0.0000   0.0000   14.303   3.8427  ?   ?   943.372  133.842 0.000000 133.8422 
1 1 1   -6    7    7 o  3552.91  200.766  201.576   22.244   0.0000   0.0000  201.576   22.244  ?   ?   3552.91  200.766 0.000000 200.7656 
1 1 1   -6    7   11 o  1586.96  141.473   40.160   6.9563   0.0000   0.0000   40.160   6.9563  ?   ?   1586.96  141.473 0.000000 141.4732 
1 1 1   -6    7   13 o  4340.38  233.286  305.503   31.589   0.0000   0.0000  305.503   31.589  ?   ?   4340.38  233.286 0.000000 233.2856 
1 1 1   -6    7   17 o  2707.51  172.794  117.693   14.573   0.0000   0.0000  117.693   14.573  ?   ?   2707.51  172.794 0.000000 172.7941 
1 1 1   -6    7   19 o  3744.68  211.336  228.372   24.679   0.0000   0.0000  228.372   24.679  ?   ?   3744.68  211.336 0.000000 211.3363 
1 1 1   -6    7   21 o  1669.00  144.994   44.867   7.5022   0.0000   0.0000   44.867   7.5022  ?   ?   1669.00  144.994 0.000000 144.9940 
1 1 1   -6    7   23 o  1987.78  153.393   64.204   9.4737   0.0000   0.0000   64.204   9.4737  ?   ?   1987.78  153.393 0.000000 153.3930 
1 1 1   -6    7   25 o  908.909  139.249   13.665   3.8368   0.0000   0.0000   13.665   3.8368  ?   ?   908.909  139.249 0.000000 139.2494 
1 1 1   -6    7   27 o  2370.70  167.858   94.063   12.380   0.0000   0.0000   94.063   12.380  ?   ?   2370.70  167.858 0.000000 167.8576 
1 1 1   -6    7   29 o  1729.17  150.253   49.898   8.0545   0.0000   0.0000   49.898   8.0545  ?   ?   1729.17  150.253 0.000000 150.2528 
1 1 1   -6    7   31 o  1876.39  155.433   59.543   9.0501   0.0000   0.0000   59.543   9.0501  ?   ?   1876.39  155.433 0.000000 155.4332 
1 1 1   -6    7   33 o  511.738  147.905   4.5640   2.5036   0.0000   0.0000   4.5640   2.5036  ?   ?   511.738  147.905 0.000000 147.9047 
1 1 1   -6    7   35 o  2158.20  169.736   83.010   11.378   0.0000   0.0000   83.010   11.378  ?   ?   2158.20  169.736 0.000000 169.7361 
1 1 1   -6    7   37 o  1111.87  148.547   21.714   5.0424   0.0000   0.0000   21.714   5.0424  ?   ?   1111.87  148.547 0.000000 148.5466 
1 1 1   -6    7   39 o  1397.83  151.080   34.204   6.5075   0.0000   0.0000   34.204   6.5075  ?   ?   1397.83  151.080 0.000000 151.0799 
1 1 1   -6    7   41 o  1530.79  152.642   41.283   7.2190   0.0000   0.0000   41.283   7.2190  ?   ?   1530.79  152.642 0.000000 152.6416 
1 1 1   -6    7   43 o  1237.47  101.306   25.554   3.8910   27.764   5.5720   23.450   5.4360  1251.64  144.849  1138.67  156.609 112.9635 213.3249 
1 1 1   -6    7   45 o  2193.66  117.229   82.566   8.0232   86.038   11.385   79.141   11.308  2136.42  171.637  2033.00  179.487 103.4174 248.3439 
1 1 1   -6    7   47 o  1482.66  105.662   37.543   4.8733   36.983   6.8816   38.106   6.9023  1400.26  159.812  1425.11  157.300 -24.84631 224.2397 
1 1 1   -6    7   49 f  281.012  111.019   0.9854   1.4443  -0.0002   2.0520   1.9531   2.0332  275.744  121.637  350.509  133.557 -74.76434 180.6465 
1 1 1   -6    7   51 o  978.337  108.929   17.595   3.2803   14.386   4.6182   20.863   4.6602  767.376  192.519  998.325  154.033 -230.9484 246.5561 
1 1 1   -6    7   53 o  2161.12  139.890  103.661   9.4156  119.149   13.345   88.307   13.286  1918.28  226.543  1313.93  324.790 604.3534 395.9927 
1 1 1   -6    7   55 o  1076.34  277.986   61.178   9.4345   0.0000   0.0000   61.178   9.4345  ?   ?   1076.34  277.986 0.000000 277.9858 
1 1 1   -6    7   57 o  386.366  166.282   8.0163   3.6379   0.0000   0.0000   8.0163   3.6379  ?   ?   386.366  166.282 0.000000 166.2816 
1 1 1   -6    8    2 o  5941.06  300.152  575.731   55.656  575.731   55.656   0.0000   0.0000  5941.06  300.152  ?   ?  0.000000 300.1523 
1 1 1   -6    8    4 o  3206.12  130.839  162.171   13.135  175.722   18.583  148.642   18.568  3321.64  179.336  3049.24  195.505 272.4028 265.2987 
1 1 1   -6    8    6 o  2791.77  174.584  124.239   15.185  124.239   15.185   0.0000   0.0000  2791.77  174.584  ?   ?  0.000000 174.5842 
1 1 1   -6    8   10 o  506.224   99.284   4.1727   1.5175   3.6030   2.1113   4.7815   2.1827  471.998  135.652  539.435  130.614 -67.43771 188.3120 
1 1 1   -6    8   12 o  887.675   93.586   12.536   2.5621   14.055   3.6493   11.059   3.5978  934.528  128.080  823.696  144.778 110.8320 193.3009 
1 1 1   -6    8   16 o  247.129   98.921   0.4631   1.1611   0.0000   0.0000   0.4631   1.1611  ?   ?   247.129   98.921 0.000000 98.92059 
1 1 1   -6    8   18 o  465.209  134.578   3.5115   2.0720   0.0000   0.0000   3.5115   2.0720  ?   ?   465.209  134.578 0.000000 134.5778 
1 1 1   -6    8   20 o  3669.63  209.635  220.726   23.988   0.0000   0.0000  220.726   23.988  ?   ?   3669.63  209.635 0.000000 209.6353 
1 1 1   -6    8   24 o  2144.28  158.879   75.477   10.592   0.0000   0.0000   75.477   10.592  ?   ?   2144.28  158.879 0.000000 158.8786 
1 1 1   -6    8   26 o  1005.17  140.348   16.756   4.2969   0.0000   0.0000   16.756   4.2969  ?   ?   1005.17  140.348 0.000000 140.3478 
1 1 1   -6    8   28 o  2133.72  160.691   76.094   10.657   0.0000   0.0000   76.094   10.657  ?   ?   2133.72  160.691 0.000000 160.6914 
1 1 1   -6    8   30 o  3006.14  194.952  157.137   18.252   0.0000   0.0000  157.137   18.252  ?   ?   3006.14  194.952 0.000000 194.9516 
1 1 1   -6    8   32 o  3904.08  248.840  290.198   30.261   0.0000   0.0000  290.198   30.261  ?   ?   3904.08  248.840 0.000000 248.8401 
1 1 1   -6    8   34 o  3030.21  206.174  170.060   19.446   0.0000   0.0000  170.060   19.446  ?   ?   3030.21  206.174 0.000000 206.1736 
1 1 1   -6    8   36 o  2721.32  193.003  136.038   16.339   0.0000   0.0000  136.038   16.339  ?   ?   2721.32  193.003 0.000000 193.0031 
1 1 1   -6    8   38 o  1515.13  151.395   39.867   7.0864   0.0000   0.0000   39.867   7.0864  ?   ?   1515.13  151.395 0.000000 151.3945 
1 1 1   -6    8   40 o  2526.15  184.748  115.996   14.512   0.0000   0.0000  115.996   14.512  ?   ?   2526.15  184.748 0.000000 184.7478 
1 1 1   -6    8   42 o  1844.63  162.452   60.937   9.2875   0.0000   0.0000   60.937   9.2875  ?   ?   1844.63  162.452 0.000000 162.4518 
1 1 1   -6    8   44 o  1256.14  103.904   26.479   4.0501   28.167   5.7401   24.805   5.7155  1253.33  149.194  1163.72  161.179 89.61169 219.6306 
1 1 1   -6    8   46 o  737.761  114.417   9.4548   2.5576   11.677   3.5704   7.1123   3.6654  796.364  148.649  597.193  180.626 199.1711 233.9280 
1 1 1   -6    8   48 o  1605.59  109.100   44.544   5.4525   40.574   7.7034   48.530   7.7186  1432.19  175.444  1601.18  155.928 -168.9873 234.7218 
1 1 1   -6    8   50 o  933.913  108.871   15.680   3.1240   16.894   4.3610   14.401   4.4772  908.762  159.051  807.778  181.443 100.9837 241.2860 
1 1 1   -6    8   52 o  1272.29  111.808   31.120   4.4091   30.792   6.2149   31.453   6.2560  1106.73  185.934  1121.58  184.555 -14.85596 261.9772 
1 1 1   -6    8   54 o  1690.51  128.055   63.462   6.7281   77.939   9.5430   49.154   9.4872  1602.50  194.143  906.581  293.120 695.9207 351.5836 
1 1 1   -6    8   56 o  1905.34  173.887  114.699   10.260  119.306   14.517  110.099   14.503  855.469  347.176  733.491  323.479 121.9777 474.5202 
1 1 1   -6    8   58 o  314.064  142.735   4.7606   3.0636   0.0000   0.0000   4.7606   3.0636  ?   ?   314.064  142.735 0.000000 142.7352 
1 1 1   -6    8   60 o  415.712  200.235   43.764   7.7322   0.0000   0.0000   43.764   7.7322  ?   ?   415.712  200.235 0.000000 200.2352 
1 1 1   -6    9    1 o  2051.98  153.351   67.048   9.7820   67.048   9.7820   0.0000   0.0000  2051.98  153.351  ?   ?  0.000000 153.3512 
1 1 1   -6    9    3 o  1678.14  100.519   44.468   5.2576   49.143   7.4428   39.812   7.4280  1758.47  136.235  1578.54  152.164 179.9399 204.2394 
1 1 1   -6    9    7 o  6103.11  212.860  597.044   40.678  586.533   57.525  607.557   57.530  5966.11  308.987  6085.45  301.915 -119.3350 432.0025 
1 1 1   -6    9   11 o  884.258   94.787   12.444   2.5836   10.850   3.6467   14.049   3.6608  815.134  148.339  934.387  128.523 -119.2523 196.2720 
1 1 1   -6    9   13 o  1574.02  142.327   39.582   6.9389   39.582   6.9389   0.0000   0.0000  1574.02  142.327  ?   ?  0.000000 142.3270 
1 1 1   -6    9   15 o  1510.38   98.260   36.102   4.6218   39.083   6.5519   33.150   6.5206  1564.59  135.061  1437.31  146.951 127.2767 199.5898 
1 1 1   -6    9   17 o  788.932   97.660   9.9654   2.3610   8.0217   3.3756   11.827   3.3034  695.400  158.546  854.625  127.332 -159.2252 203.3475 
1 1 1   -6    9   19 o  2753.46  121.877  120.464   10.508  119.388   14.869  121.537   14.852  2714.56  175.879  2739.94  174.012 -25.37842 247.4137 
1 1 1   -6    9   21 o  3251.29  195.193  174.207   19.780   0.0000   0.0000  174.207   19.780  ?   ?   3251.29  195.193 0.000000 195.1933 
1 1 1   -6    9   23 o  2047.96  156.085   68.651   9.9339   0.0000   0.0000   68.651   9.9339  ?   ?   2047.96  156.085 0.000000 156.0853 
1 1 1   -6    9   25 o  668.431  144.153   7.5390   2.9284   0.0000   0.0000   7.5390   2.9284  ?   ?   668.431  144.153 0.000000 144.1528 
1 1 1   -6    9   27 o  1601.14  147.097   42.382   7.2923   0.0000   0.0000   42.382   7.2923  ?   ?   1601.14  147.097 0.000000 147.0969 
1 1 1   -6    9   29 o  2321.25  167.596   90.883   12.100   0.0000   0.0000   90.883   12.100  ?   ?   2321.25  167.596 0.000000 167.5964 
1 1 1   -6    9   33 o  1296.35  145.406   28.717   5.8006   0.0000   0.0000   28.717   5.8006  ?   ?   1296.35  145.406 0.000000 145.4062 
1 1 1   -6    9   35 o  865.861  149.366   13.090   3.9033   0.0000   0.0000   13.090   3.9033  ?   ?   865.861  149.366 0.000000 149.3657 
1 1 1   -6    9   37 o  4471.15  311.790  437.049   43.378   0.0000   0.0000  437.049   43.378  ?   ?   4471.15  311.790 0.000000 311.7900 
1 1 1   -6    9   39 o  1056.79  147.918   19.343   4.7606   0.0000   0.0000   19.343   4.7606  ?   ?   1056.79  147.918 0.000000 147.9179 
1 1 1   -6    9   41 o  3834.15  267.186  307.752   31.877   0.0000   0.0000  307.752   31.877  ?   ?   3834.15  267.186 0.000000 267.1856 
1 1 1   -6    9   43 o  1438.45  154.261   36.870   6.8397   0.0000   0.0000   36.870   6.8397  ?   ?   1438.45  154.261 0.000000 154.2606 
1 1 1   -6    9   45 o  1893.61  110.934   60.627   6.5490   55.961   9.2437   65.330   9.2796  1731.46  172.805  1896.61  157.686 -165.1521 233.9368 
1 1 1   -6    9   47 o  2123.61  117.560   77.965   7.7868   77.588   11.014   78.341   11.010  2002.83  177.465  2015.09  176.266 -12.26074 250.1271 
1 1 1   -6    9   49 o  3256.74  159.277  208.055   16.243  189.858   22.966  226.267   22.975  2584.58  288.710  3004.00  246.420 -419.4246 379.5743 
1 1 1   -6    9   51 o  1246.82  111.774   29.041   4.3175   29.656   6.0930   28.421   6.1187  1135.78  177.100  1097.30  184.637 38.48267 255.8422 
1 1 1   -6    9   53 o  388.867  150.473   3.8576   2.6081   3.8576   2.6081   0.0000   0.0000  388.867  150.473  ?   ?  0.000000 150.4733 
1 1 1   -6    9   55 o  1170.67  128.091   31.702   4.6188   35.992   6.4058   27.057   6.6658  1016.66  208.230  686.818  245.246 329.8394 321.7219 
1 1 1   -6    9   57 o  1197.38  136.261   38.174   5.0178   35.484   6.9732   41.063   7.2261  679.120  249.667  778.776  256.058 -99.65607 357.6304 
1 1 1   -6    9   59 o  438.423  219.704   95.867   12.921   0.0000   0.0000   95.867   12.921  ?   ?   438.423  219.704 0.000000 219.7044 
1 1 1   -6   10    4 o  3976.96  217.939  254.244   27.036  254.244   27.036   0.0000   0.0000  3976.96  217.939  ?   ?  0.000000 217.9385 
1 1 1   -6   10    8 o  2539.69  167.199  102.915   13.222  102.915   13.222   0.0000   0.0000  2539.69  167.199  ?   ?  0.000000 167.1994 
1 1 1   -6   10   10 o  1709.47  145.759   46.627   7.7276   0.0000   0.0000   46.627   7.7276  ?   ?   1709.47  145.759 0.000000 145.7591 
1 1 1   -6   10   12 o  1349.55  139.608   29.153   5.8142   29.153   5.8142   0.0000   0.0000  1349.55  139.608  ?   ?  0.000000 139.6082 
1 1 1   -6   10   14 o  2935.65  125.586  136.402   11.544  135.401   16.319  137.405   16.333  2903.00  180.417  2924.97  179.195 -21.96948 254.2854 
1 1 1   -6   10   16 o  2329.49  161.696   87.162   11.721   87.162   11.721   0.0000   0.0000  2329.49  161.696  ?   ?  0.000000 161.6960 
1 1 1   -6   10   18 o  988.677   96.901   15.594   2.9613   14.479   4.2162   16.680   4.1602  940.557  148.053  1014.56  134.252 -74.00220 199.8581 
1 1 1   -6   10   22 o  1990.18  106.740   63.305   6.6275   66.624   9.4003   60.025   9.3455  2022.30  149.509  1915.08  157.234 107.2134 216.9684 
1 1 1   -6   10   24 o  1494.64  100.429   35.779   4.6729   35.592   6.6186   35.966   6.5984  1472.89  145.406  1481.26  144.086 -8.368896 204.7040 
1 1 1   -6   10   26 o  2509.27  118.112  101.429   9.2802   99.483   13.135  103.369   13.113  2441.20  172.954  2492.02  169.053 -50.82471 241.8508 
1 1 1   -6   10   28 o  1446.16  145.800   34.702   6.5121   34.702   6.5121   0.0000   0.0000  1446.16  145.800  ?   ?  0.000000 145.7997 
1 1 1   -6   10   30 o  2398.05  116.784   93.603   8.7692   91.222   12.412   95.976   12.391  2310.80  172.792  2376.30  167.600 -65.50049 240.7210 
1 1 1   -6   10   32 o  204.199   90.372  -0.3251   1.1418   1.4679   1.7171  -1.7460   1.5286  332.029  123.550  196.180   92.977 135.8490 154.6264 
1 1 1   -6   10   34 o  1443.23  101.895   34.035   4.5751   35.178   6.4897   32.906   6.4509  1436.42  146.331  1385.16  151.186 51.26196 210.4046 
1 1 1   -6   10   36 o  1344.96  101.577   29.545   4.2463   29.670   6.0495   29.423   5.9618  1317.22  149.308  1312.94  147.574 4.282227 209.9307 
1 1 1   -6   10   38 o  925.376  103.642   14.100   2.9515   12.785   4.2223   15.357   4.1275  850.386  164.518  945.924  143.888 -95.53790 218.5634 
1 1 1   -6   10   40 o  847.165  152.878   12.611   3.9062   12.611   3.9062   0.0000   0.0000  847.165  152.878  ?   ?  0.000000 152.8782 
1 1 1   -6   10   42 o  2964.70  134.551  149.824   12.491  146.582   17.661  153.068   17.668  2785.89  203.873  2859.44  198.557 -73.54468 284.5856 
1 1 1   -6   10   44 o  2285.20  118.504   88.353   8.4505   79.332   11.940   97.408   11.962  2054.03  187.715  2319.12  165.817 -265.0876 250.4639 
1 1 1   -6   10   46 o  1968.76  112.998   65.870   6.9368   61.753   9.7974   70.008   9.8229  1810.65  174.988  1951.06  162.259 -140.4143 238.6393 
1 1 1   -6   10   48 o  1507.29  107.542   39.224   5.0424   34.195   7.1003   44.342   7.1621  1308.67  177.881  1536.84  150.773 -228.1731 233.1826 
1 1 1   -6   10   50 o  2865.22  152.133  166.839   13.600  157.927   19.215  175.784   19.252  2274.43  275.421  2511.88  248.004 -237.4482 370.6250 
1 1 1   -6   10   52 o  1106.83  191.958   31.995   6.4116   31.995   6.4116   0.0000   0.0000  1106.83  191.958  ?   ?  0.000000 191.9582 
1 1 1   -6   10   54 o  526.836  147.605   7.0420   2.5323   8.7823   3.4564   5.0254   3.7207  524.121  177.201  386.870  167.325 137.2507 243.7164 
1 1 1   -6   10   56 o  410.998  142.526   5.0067   2.2394   6.0074   2.8927   3.5099   3.5379  407.636  158.267  320.311  148.413 87.32513 216.9671 
1 1 1   -6   10   58 o  474.761  239.682  140.229   16.993   0.0000   0.0000  140.229   16.993  ?   ?   474.761  239.682 0.000000 239.6816 
1 1 1   -6   10   60 o  979.249  313.469  120.824   10.871  137.440   15.321  103.979   15.426  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6   11    1 o  4364.88  162.326  302.307   22.186  306.194   31.372  298.419   31.380  4357.80  230.729  4300.23  233.926 57.57275 328.5682 
1 1 1   -6   11    3 o  4129.42  224.218  274.598   28.883   0.0000   0.0000  274.598   28.883  ?   ?   4129.42  224.218 0.000000 224.2179 
1 1 1   -6   11    5 o  3985.83  218.598  255.656   27.178   0.0000   0.0000  255.656   27.178  ?   ?   3985.83  218.598 0.000000 218.5975 
1 1 1   -6   11    7 o  1195.67   96.202   22.639   3.5713   25.061   5.0708   20.255   5.0305  1252.66  131.227  1121.68  146.746 130.9808 196.8625 
1 1 1   -6   11    9 o  929.304  141.059   13.976   3.9757   13.976   3.9757   0.0000   0.0000  929.304  141.059  ?   ?  0.000000 141.0590 
1 1 1   -6   11   11 o  3510.22  201.082  198.469   22.010  198.469   22.010   0.0000   0.0000  3510.22  201.082  ?   ?  0.000000 201.0818 
1 1 1   -6   11   13 o  2172.44  157.322   75.584   10.629   75.584   10.629   0.0000   0.0000  2172.44  157.322  ?   ?  0.000000 157.3216 
1 1 1   -6   11   15 o  1875.31  150.067   56.473   8.7382   56.473   8.7382   0.0000   0.0000  1875.31  150.067  ?   ?  0.000000 150.0671 
1 1 1   -6   11   17 o  2736.05  121.658  119.041   10.423  122.893   14.743  115.192   14.737  2754.08  171.814  2662.91  177.762 91.16821 247.2239 
1 1 1   -6   11   21 o  732.078  147.577   8.9543   3.2661   8.9543   3.2661   0.0000   0.0000  732.078  147.577  ?   ?  0.000000 147.5769 
1 1 1   -6   11   25 o  2095.95  109.787   70.547   7.1802   63.935   10.142   77.192   10.167  1963.29  166.545  2169.18  150.616 -205.8947 224.5493 
1 1 1   -6   11   27 o  1399.63  100.654   31.512   4.3818   34.373   6.1855   28.630   6.2082  1445.46  138.352  1310.44  154.250 135.0197 207.2060 
1 1 1   -6   11   29 o  508.578  119.115   4.3629   1.8636   6.0494   2.5944   2.5651   2.6786  594.622  141.405  424.222  154.923 170.3995 209.7537 
1 1 1   -6   11   31 o  1433.06  101.590   33.358   4.5291   34.007   6.4153   32.713   6.3949  1420.18  146.360  1390.79  149.173 29.39600 208.9831 
1 1 1   -6   11   33 o  1066.87  100.919   18.579   3.3313   15.145   4.7105   22.015   4.7118  929.540  168.023  1145.26  133.920 -215.7162 214.8633 
1 1 1   -6   11   35 o  2414.66  117.890   95.462   8.9136   95.078   12.606   95.845   12.606  2347.21  172.724  2357.68  171.939 -10.46436 243.7141 
1 1 1   -6   11   37 o  1474.56  103.238   35.420   4.7367   36.387   6.7196   34.465   6.6779  1465.03  148.533  1422.82  152.253 42.20593 212.7045 
1 1 1   -6   11   39 o  3151.90  210.123  181.792   20.619  181.792   20.619   0.0000   0.0000  3151.90  210.123  ?   ?  0.000000 210.1226 
1 1 1   -6   11   41 o  1955.57  110.935   63.256   6.7650   65.441   9.5767   61.080   9.5576  1935.48  159.438  1862.03  165.656 73.44727 229.9177 
1 1 1   -6   11   43 o  1084.28  102.808   19.516   3.4488   16.437   4.8313   22.715   4.9246  951.030  168.402  1143.76  140.456 -192.7321 219.2878 
1 1 1   -6   11   45 o  848.655  109.395   12.199   2.8393   11.184   3.9220   13.317   4.1158  775.548  166.482  853.197  159.936 -77.64972 230.8589 
1 1 1   -6   11   47 o  369.286  129.673   2.2766   1.8565   4.6148   2.5624  -0.3071   2.6935  495.031  151.309  307.629  137.316 187.4022 204.3289 
1 1 1   -6   11   49 o  311.301  122.753   1.3726   1.7626   1.1660   2.3076   1.6619   2.7308  323.686  135.556  354.754  147.920 -31.06818 200.6384 
1 1 1   -6   11   51 o  1195.44  184.028   34.250   6.6676   34.250   6.6676   0.0000   0.0000  1195.44  184.028  ?   ?  0.000000 184.0283 
1 1 1   -6   11   53 o  1190.10  122.288   29.381   4.4923   33.040   6.2326   25.424   6.4807  1104.23  186.928  826.169  237.724 278.0634 302.4144 
1 1 1   -6   11   55 o  1092.39  126.733   27.132   4.2544   24.763   5.8824   29.730   6.1605  759.494  228.622  878.262  223.468 -118.7681 319.6968 
1 1 1   -6   11   57 o  458.612  193.934   13.591   4.7977   0.0000   0.0000   13.591   4.7977  ?   ?   458.612  193.934 0.000000 193.9341 
1 1 1   -6   11   59 o  515.521  162.417   10.646   2.9273   10.531   3.7800   10.819   4.6268  393.862  169.502  343.240  162.407 50.62216 234.7489 
1 1 1   -6   12    2 o  2508.49  115.927   99.254   9.1057   94.066   12.861  104.468   12.894  2425.96  170.391  2559.70  161.697 -133.7400 234.9023 
1 1 1   -6   12    4 o  2013.23  153.647   64.660   9.6126   64.660   9.6126   0.0000   0.0000  2013.23  153.647  ?   ?  0.000000 153.6470 
1 1 1   -6   12    6 o  936.053   95.067   13.930   2.7478   18.192   3.9456   9.9171   3.8289  1066.86  120.204  775.818  162.806 291.0397 202.3728 
1 1 1   -6   12    8 o  1200.79   96.577   22.851   3.6006   26.053   5.1205   19.719   5.0639  1276.87  129.878  1104.76  150.287 172.1102 198.6310 
1 1 1   -6   12   12 o  2046.45  154.874   67.180   9.8507   67.180   9.8507   0.0000   0.0000  2046.45  154.874  ?   ?  0.000000 154.8743 
1 1 1   -6   12   14 o  1286.27  141.217   26.682   5.5941   26.682   5.5941   0.0000   0.0000  1286.27  141.217  ?   ?  0.000000 141.2167 
1 1 1   -6   12   20 f  991.188  141.085   16.111   4.2552   16.111   4.2552   0.0000   0.0000  991.188  141.085  ?   ?  0.000000 141.0845 
1 1 1   -6   12   22 o  2245.42  162.722   82.629   11.363   82.629   11.363   0.0000   0.0000  2245.42  162.722  ?   ?  0.000000 162.7221 
1 1 1   -6   12   24 o  402.891  142.870   2.3281   2.2585   2.3281   2.2585   0.0000   0.0000  402.891  142.870  ?   ?  0.000000 142.8702 
1 1 1   -6   12   26 o  1417.40  146.080   33.143   6.3905   33.143   6.3905   0.0000   0.0000  1417.40  146.080  ?   ?  0.000000 146.0799 
1 1 1   -6   12   28 o  1466.49  147.752   35.806   6.6922   35.806   6.6922   0.0000   0.0000  1466.49  147.752  ?   ?  0.000000 147.7520 
1 1 1   -6   12   30 o  1253.23  147.548   26.411   5.6791   26.411   5.6791   0.0000   0.0000  1253.23  147.548  ?   ?  0.000000 147.5479 
1 1 1   -6   12   32 o  1122.70  101.521   20.493   3.5303   18.642   4.9620   22.390   5.0238  1044.57  156.528  1154.44  141.969 -109.8734 211.3196 
1 1 1   -6   12   34 o  2040.54  110.685   67.688   7.0457   64.625   9.9405   70.780   9.9878  1951.27  164.222  2049.43  156.829 -98.16125 227.0777 
1 1 1   -6   12   36 o  1751.51  106.379   49.828   5.8066   53.601   8.2151   46.060   8.2085  1787.30  148.126  1645.93  161.346 141.3745 219.0295 
1 1 1   -6   12   38 o  845.246  107.981   11.786   2.7926   13.796   3.9566   9.7907   3.9420  898.235  145.665  741.563  172.945 156.6729 226.1152 
1 1 1   -6   12   40 o  2518.89  121.699  105.036   9.5987  107.331   13.580  102.745   13.569  2468.88  176.834  2408.73  181.237 60.14136 253.2134 
1 1 1   -6   12   42 o  1935.05  111.632   62.004   6.7352   53.527   9.5360   70.442   9.5140  1725.95  179.056  2017.49  151.713 -291.5421 234.6871 
1 1 1   -6   12   44 f  915.347  110.271   14.079   3.0969   14.047   4.3848   14.110   4.3747  879.243  165.335  881.881  164.473 -2.637756 233.2109 
1 1 1   -6   12   46 o  648.277  165.519   8.0038   3.3716   8.0038   3.3716   0.0000   0.0000  648.277  165.519  ?   ?  0.000000 165.5190 
1 1 1   -6   12   48 o  3328.15  160.130  215.488   16.688  206.219   23.570  224.805   23.629  2781.28  274.213  2984.20  255.335 -202.9250 374.6852 
1 1 1   -6   12   50 o  1068.95  176.764   25.526   5.7097   25.526   5.7097   0.0000   0.0000  1068.95  176.764  ?   ?  0.000000 176.7641 
1 1 1   -6   12   52 o  312.821  128.624   1.6690   2.0252   3.4583   2.5827  -1.1879   3.2635  387.201  149.764  280.980  133.934 106.2210 200.9165 
1 1 1   -6   12   54 o  1079.05  241.866   43.665   7.9699   0.0000   0.0000   43.665   7.9699  ?   ?   1079.05  241.866 0.000000 241.8664 
1 1 1   -6   12   56 o  1155.93  133.488   32.449   4.7428   30.034   6.5143   35.172   6.9184  759.505  242.612  840.518  246.716 -81.01288 346.0188 
1 1 1   -6   12   58 o  694.042  163.971   15.846   3.5068   15.139   4.6902   16.742   5.2808  470.551  194.831  447.882  196.429 22.66891 276.6648 
1 1 1   -6   13    1 o  2839.53  123.938  127.519   11.020  127.360   15.582  127.677   15.586  2817.68  177.522  2821.26  177.330 -3.584473 250.9184 
1 1 1   -6   13    3 o  1687.53  102.086   45.054   5.3689   49.137   7.6033   40.994   7.5823  1754.95  139.515  1598.72  153.347 156.2266 207.3155 
1 1 1   -6   13    5 o  2839.13  123.860  127.523   11.011  126.554   15.562  128.494   15.582  2807.62  177.935  2829.59  176.754 -21.96997 250.8044 
1 1 1   -6   13    9 o  1206.96   96.513   23.119   3.6170   26.763   5.1863   19.667   5.0470  1292.63  129.893  1101.43  150.259 191.2029 198.6202 
1 1 1   -6   13   11 o  2320.68  162.650   86.671   11.744   86.671   11.744   0.0000   0.0000  2320.68  162.650  ?   ?  0.000000 162.6500 
1 1 1   -6   13   13 o  1199.69  142.878   23.291   5.2617   23.291   5.2617   0.0000   0.0000  1199.69  142.878  ?   ?  0.000000 142.8776 
1 1 1   -6   13   15 o  842.186  144.461   11.661   3.6724   0.0000   0.0000   11.661   3.6724  ?   ?   842.186  144.461 0.000000 144.4613 
1 1 1   -6   13   17 o  1095.61  144.015   19.580   4.8209   0.0000   0.0000   19.580   4.8209  ?   ?   1095.61  144.015 0.000000 144.0154 
1 1 1   -6   13   19 o  1067.55  142.167   18.621   4.6342   18.621   4.6342   0.0000   0.0000  1067.55  142.167  ?   ?  0.000000 142.1671 
1 1 1   -6   13   21 o  1168.99  143.066   22.338   5.1275   22.338   5.1275   0.0000   0.0000  1168.99  143.066  ?   ?  0.000000 143.0663 
1 1 1   -6   13   23 o  1197.79  142.924   23.521   5.2546   23.521   5.2546   0.0000   0.0000  1197.79  142.924  ?   ?  0.000000 142.9237 
1 1 1   -6   13   25 o  1231.34  146.389   25.030   5.5336   25.030   5.5336   0.0000   0.0000  1231.34  146.389  ?   ?  0.000000 146.3890 
1 1 1   -6   13   27 o  1419.34  147.583   33.432   6.4631   33.432   6.4631   0.0000   0.0000  1419.34  147.583  ?   ?  0.000000 147.5827 
1 1 1   -6   13   29 o  1590.87  150.859   42.246   7.4251   42.246   7.4251   0.0000   0.0000  1590.87  150.859  ?   ?  0.000000 150.8595 
1 1 1   -6   13   31 o  2122.20  163.086   75.739   10.754   75.739   10.754   0.0000   0.0000  2122.20  163.086  ?   ?  0.000000 163.0861 
1 1 1   -6   13   33 o  919.920  155.201   14.371   4.3115   14.371   4.3115   0.0000   0.0000  919.920  155.201  ?   ?  0.000000 155.2014 
1 1 1   -6   13   35 o  3189.24  134.036  166.875   13.385  145.181   18.886  188.770   18.974  2873.66  211.371  3323.28  183.039 -449.6228 279.6087 
1 1 1   -6   13   37 o  2688.04  184.694  125.052   15.451  125.052   15.451   0.0000   0.0000  2688.04  184.694  ?   ?  0.000000 184.6937 
1 1 1   -6   13   39 o  1290.88  103.463   27.199   4.1469   21.714   5.7789   33.021   5.9541  1114.07  171.133  1402.22  137.371 -288.1539 219.4480 
1 1 1   -6   13   41 o  1880.56  110.913   58.175   6.5022   55.688   9.1518   60.711   9.2397  1788.52  165.286  1874.92  158.878 -86.40088 229.2631 
1 1 1   -6   13   43 o  469.902  163.343   3.6895   2.9422   3.6895   2.9422   0.0000   0.0000  469.902  163.343  ?   ?  0.000000 163.3430 
1 1 1   -6   13   45 o  1146.30  110.104   22.138   3.9034   25.225   5.4008   18.763   5.6480  1192.09  147.862  990.701  188.966 201.3889 239.9400 
1 1 1   -6   13   47 o  384.996  139.225   2.5178   2.1556   5.0182   2.9309  -0.4285   3.1815  506.066  162.848  325.441  146.919 180.6257 219.3281 
1 1 1   -6   13   49 f  686.287  176.298   10.405   3.8086   10.405   3.8086   0.0000   0.0000  686.287  176.298  ?   ?  0.000000 176.2981 
1 1 1   -6   13   51 o  2111.69  131.175   89.160   8.6307   87.207   12.074   91.200   12.342  1770.91  222.658  1812.25  222.146 -41.34705 314.5246 
1 1 1   -6   13   53 o  635.488  148.554   9.3950   2.9030   9.4897   3.7746   9.2578   4.5422  562.885  185.062  506.489  197.856 56.39520 270.9152 
1 1 1   -6   13   55 o  1760.73  142.596   74.870   7.7942   76.637   10.843   72.981   11.211  1271.00  280.014  1093.43  312.069 177.5651 419.2792 
1 1 1   -6   13   57 o  514.492  162.271   8.8043   2.9214   9.0315   3.7045   8.4307   4.7510  441.475  176.701  372.429  172.359 69.04535 246.8418 
1 1 1   -6   14    2 o  1197.41   98.476   22.768   3.6595   24.035   5.1767   21.501   5.1739  1222.61  137.615  1153.45  146.562 69.16113 201.0432 
1 1 1   -6   14    4 o  650.875  105.557   6.8583   2.0776   9.6522   2.9617   4.1513   2.9153  770.456  127.204  512.762  162.141 257.6941 206.0842 
1 1 1   -6   14    6 o  2839.32  124.329  127.825   11.054  131.435   15.623  124.206   15.641  2856.41  175.529  2773.96  181.064 82.44507 252.1795 
1 1 1   -6   14    8 o  802.204  103.862   10.335   2.5477   8.7960   3.6507   11.796   3.5570  727.157  164.218  850.526  138.312 -123.3687 214.7041 
1 1 1   -6   14   12 o  1365.62   99.337   29.641   4.2186   32.475   6.0149   26.898   5.9184  1420.56  136.918  1288.14  149.512 132.4152 202.7326 
1 1 1   -6   14   14 o  989.848   99.410   15.656   3.0395   16.454   4.3131   14.869   4.2841  1005.18  140.907  952.640  148.458 52.54327 204.6817 
1 1 1   -6   14   16 o  901.407  145.411   13.338   3.9646   0.0000   0.0000   13.338   3.9646  ?   ?   901.407  145.411 0.000000 145.4114 
1 1 1   -6   14   18 o  1996.71  107.951   63.513   6.7243   64.416   9.5202   62.613   9.4989  1993.52  153.699  1964.42  155.702 29.10535 218.7843 
1 1 1   -6   14   20 o  1043.63  144.070   17.844   4.5825   0.0000   0.0000   17.844   4.5825  ?   ?   1043.63  144.070 0.000000 144.0703 
1 1 1   -6   14   22 o  1143.07  144.040   21.425   5.0411   21.425   5.0411   0.0000   0.0000  1143.07  144.040  ?   ?  0.000000 144.0405 
1 1 1   -6   14   24 o  988.658  103.774   15.770   3.1646   15.158   4.2869   16.503   4.6913  954.779  148.195  994.148  155.826 -39.36902 215.0433 
1 1 1   -6   14   26 o  602.568  128.566   6.0909   2.3518   5.5803   3.1563   6.7283   3.5264  573.135  166.187  625.644  173.794 -52.50891 240.4632 
1 1 1   -6   14   28 o  965.687  152.923   15.682   4.4701   15.682   4.4701   0.0000   0.0000  965.687  152.923  ?   ?  0.000000 152.9232 
1 1 1   -6   14   30 o  1800.32  154.841   53.795   8.6438   53.795   8.6438   0.0000   0.0000  1800.32  154.841  ?   ?  0.000000 154.8407 
1 1 1   -6   14   32 o  504.946  164.301   4.1550   2.9780   4.1550   2.9780   0.0000   0.0000  504.946  164.301  ?   ?  0.000000 164.3014 
1 1 1   -6   14   34 o  3187.35  201.209  174.710   19.978  174.710   19.978   0.0000   0.0000  3187.35  201.209  ?   ?  0.000000 201.2089 
1 1 1   -6   14   36 o  1849.70  157.551   57.422   9.0382   57.422   9.0382   0.0000   0.0000  1849.70  157.551  ?   ?  0.000000 157.5506 
1 1 1   -6   14   38 o  1004.64  155.715   17.262   4.7399   17.262   4.7399   0.0000   0.0000  1004.64  155.715  ?   ?  0.000000 155.7154 
1 1 1   -6   14   40 o  4137.78  265.176  332.583   34.176  332.583   34.176   0.0000   0.0000  4137.78  265.176  ?   ?  0.000000 265.1762 
1 1 1   -6   14   42 o  2497.57  120.848  103.219   9.4509   92.317   13.278  114.412   13.455  2271.60  188.379  2561.20  168.714 -289.5933 252.8852 
1 1 1   -6   14   44 o  2278.13  179.803   94.638   12.722   94.638   12.722   0.0000   0.0000  2278.13  179.803  ?   ?  0.000000 179.8030 
1 1 1   -6   14   46 o  788.668  135.514   11.212   3.2259   17.307   4.3339   3.6397   4.8307  972.700  146.868  480.071  198.165 492.6293 246.6570 
1 1 1   -6   14   48 o  1567.24  117.555   44.075   5.7269   47.545   7.8922   40.215   8.3229  1534.13  166.990  1341.02  204.697 193.1172 264.1713 
1 1 1   -6   14   50 o  841.350  193.174   17.017   4.9817   17.017   4.9817   0.0000   0.0000  841.350  193.174  ?   ?  0.000000 193.1745 
1 1 1   -6   14   52 o  1840.60  260.073  115.091   14.571  115.091   14.571   0.0000   0.0000  1840.60  260.073  ?   ?  0.000000 260.0726 
1 1 1   -6   14   54 o  982.173  140.387   21.861   4.1946   24.641   5.4918   17.969   6.4988  913.829  197.673  584.120  233.954 329.7086 306.2828 
1 1 1   -6   14   56 o  218.423  104.105  -0.7925   1.9707  -1.8634   2.2264   3.0828   4.2353  210.677  102.854  323.940  153.888 -113.2627 185.0964 
1 1 1   -6   15    1 o  3042.01  127.518  146.906   12.146  161.930   17.255  132.150   17.101  3170.35  174.492  2854.31  192.461 316.0317 259.7856 
1 1 1   -6   15    3 o  2531.04  116.397  101.469   9.2248  111.975   13.139   91.257   12.955  2640.94  159.638  2377.02  175.287 263.9243 237.0864 
1 1 1   -6   15    5 o  2261.35  108.392   80.887   7.6751   96.360   11.014   66.281   10.701  2454.66  143.927  2025.30  170.324 429.3573 222.9910 
1 1 1   -6   15    7 o  1278.56   99.348   25.973   3.9462   29.611   5.5914   22.363   5.5701  1358.20  133.187  1172.85  155.506 185.3494 204.7457 
1 1 1   -6   15    9 o  821.747  154.070   11.138   3.8187   11.138   3.8187   0.0000   0.0000  821.747  154.070  ?   ?  0.000000 154.0701 
1 1 1   -6   15   11 o  1376.58   99.748   30.109   4.2704   33.912   6.0767   26.398   6.0024  1452.92  135.119  1275.40  153.376 177.5198 204.4049 
1 1 1   -6   15   13 o  681.302  111.073   7.5422   2.2879   7.0336   3.3504   7.9866   3.1318  648.962  164.624  693.744  148.644 -44.78223 221.8016 
1 1 1   -6   15   15 o  831.013  147.445   11.377   3.6962   0.0000   0.0000   11.377   3.6962  ?   ?   831.013  147.445 0.000000 147.4453 
1 1 1   -6   15   17 o  634.785  111.881   6.5841   2.1426   9.9336   3.1293   3.6282   2.9397  778.066  133.236  486.833  163.425 291.2335 210.8548 
1 1 1   -6   15   19 o  278.006  117.438   0.1318   1.7564   0.0000   0.0000   0.1318   1.7564  ?   ?   278.006  117.438 0.000000 117.4377 
1 1 1   -6   15   23 o  1407.05  102.338   31.720   4.4779   27.621   6.1705   36.281   6.5084  1293.10  155.515  1490.59  141.124 -197.4910 210.0023 
1 1 1   -6   15   25 o  1783.88  107.516   51.088   5.9776   51.549   8.3432   50.602   8.5684  1770.42  151.974  1750.61  158.016 19.81348 219.2372 
1 1 1   -6   15   27 o  1707.83  153.904   48.092   8.1418   48.092   8.1418   0.0000   0.0000  1707.83  153.904  ?   ?  0.000000 153.9043 
1 1 1   -6   15   29 o  988.034  108.409   15.797   3.2988   14.622   4.4876   17.177   4.8658  933.039  159.322  1013.27  158.561 -80.22797 224.7776 
1 1 1   -6   15   31 o  749.439  167.705   9.5972   3.8372   9.5972   3.8372   0.0000   0.0000  749.439  167.705  ?   ?  0.000000 167.7047 
1 1 1   -6   15   33 o  2380.96  118.106   91.330   8.8052   95.943   12.398   86.636   12.507  2403.00  165.790  2273.84  177.060 129.1587 242.5628 
1 1 1   -6   15   35 o  987.418  156.832   16.470   4.6869   16.470   4.6869   0.0000   0.0000  987.418  156.832  ?   ?  0.000000 156.8319 
1 1 1   -6   15   37 o  1410.29  152.975   33.383   6.6470   33.383   6.6470   0.0000   0.0000  1410.29  152.975  ?   ?  0.000000 152.9747 
1 1 1   -6   15   39 o  2512.48  179.009  108.624   13.991  108.624   13.991   0.0000   0.0000  2512.48  179.009  ?   ?  0.000000 179.0092 
1 1 1   -6   15   41 o  845.828  171.358   12.662   4.3829   12.662   4.3829   0.0000   0.0000  845.828  171.358  ?   ?  0.000000 171.3583 
1 1 1   -6   15   43 o  934.265  166.841   15.640   4.7017   15.640   4.7017   0.0000   0.0000  934.265  166.841  ?   ?  0.000000 166.8413 
1 1 1   -6   15   45 o  982.274  168.878   18.085   5.0070   18.085   5.0070   0.0000   0.0000  982.274  168.878  ?   ?  0.000000 168.8780 
1 1 1   -6   15   47 o  1713.09  177.545   59.115   9.3855   59.115   9.3855   0.0000   0.0000  1713.09  177.545  ?   ?  0.000000 177.5453 
1 1 1   -6   15   49 o  894.787  188.818   18.035   5.1240   18.035   5.1240   0.0000   0.0000  894.787  188.818  ?   ?  0.000000 188.8185 
1 1 1   -6   15   51 o  525.456  187.701   7.4244   3.9050   7.4244   3.9050   0.0000   0.0000  525.456  187.701  ?   ?  0.000000 187.7011 
1 1 1   -6   15   53 f  773.274  205.463   17.727   5.0596   17.727   5.0596   0.0000   0.0000  773.274  205.463  ?   ?  0.000000 205.4632 
1 1 1   -6   15   55 o  694.016  260.289   29.053   7.6508   0.0000   0.0000   29.053   7.6508  ?   ?   694.016  260.289 0.000000 260.2894 
1 1 1   -6   16    2 o  1485.83  146.155   35.505   6.7119   0.0000   0.0000   35.505   6.7119  ?   ?   1485.83  146.155 0.000000 146.1548 
1 1 1   -6   16    4 o  1580.76  147.729   40.173   7.2274   0.0000   0.0000   40.173   7.2274  ?   ?   1580.76  147.729 0.000000 147.7286 
1 1 1   -6   16    6 o  503.398  150.435   4.0956   2.5537   0.0000   0.0000   4.0956   2.5537  ?   ?   503.398  150.435 0.000000 150.4347 
1 1 1   -6   16    8 o  1319.18  154.478   28.178   6.2601   28.178   6.2601   0.0000   0.0000  1319.18  154.478  ?   ?  0.000000 154.4777 
1 1 1   -6   16   10 o  1063.33  103.277   18.040   3.3953   19.888   5.0404   16.506   4.5939  1106.30  149.318  1005.89  150.477 100.4141 211.9879 
1 1 1   -6   16   12 o  886.689  148.881   12.896   3.9871   0.0000   0.0000   12.896   3.9871  ?   ?   886.689  148.881 0.000000 148.8812 
1 1 1   -6   16   14 o  651.377  114.582   6.9254   2.2517   4.2662   3.2216   9.4653   3.1485  522.424  170.932  758.913  137.558 -236.4890 219.4082 
1 1 1   -6   16   16 o  494.924  120.982   4.0528   1.8591   4.9498   2.7266   3.2733   2.5416  546.951  153.135  460.425  151.880 86.52560 215.6799 
1 1 1   -6   16   18 o  424.305  128.347   2.9033   1.8506   0.3894   2.7537   4.9736   2.4990  352.177  147.816  546.482  144.016 -194.3053 206.3733 
1 1 1   -6   16   20 o  1192.24  103.731   22.766   3.8339   20.370   5.3177   25.360   5.5326  1111.00  157.253  1246.31  144.448 -135.3130 213.5268 
1 1 1   -6   16   22 o  929.344  110.964   13.969   3.1652   13.578   4.2982   14.432   4.6785  901.881  157.957  927.274  167.288 -25.39288 230.0773 
1 1 1   -6   16   24 o  950.083  108.133   14.578   3.1596   9.9075   4.2389   20.416   4.7395  761.092  180.587  1116.77  138.509 -355.6769 227.5888 
1 1 1   -6   16   26 o  505.695  167.536   4.0371   3.0913   4.0371   3.0913   0.0000   0.0000  505.695  167.536  ?   ?  0.000000 167.5357 
1 1 1   -6   16   28 o  1365.81  107.489   29.921   4.5598   31.187   6.3412   28.564   6.5615  1379.78  149.146  1314.29  162.933 65.49158 220.8885 
1 1 1   -6   16   30 o  1404.22  107.055   31.636   4.6717   29.022   6.4443   34.531   6.7822  1325.73  158.375  1450.48  151.567 -124.7561 219.2154 
1 1 1   -6   16   32 o  1446.43  152.055   34.470   6.7837   34.470   6.7837   0.0000   0.0000  1446.43  152.055  ?   ?  0.000000 152.0547 
1 1 1   -6   16   36 o  1280.26  154.850   27.413   6.0815   27.413   6.0815   0.0000   0.0000  1280.26  154.850  ?   ?  0.000000 154.8502 
1 1 1   -6   16   38 o  847.571  127.244   11.940   3.2727   10.626   4.3447   13.665   4.9759  777.462  181.728  881.997  186.028 -104.5349 260.0606 
1 1 1   -6   16   40 o  1252.29  116.701   25.757   4.5234   30.936   6.1116   19.484   6.7267  1356.08  146.245  1031.71  215.187 324.3702 260.1790 
1 1 1   -6   16   42 o  1038.36  169.199   19.099   5.3118   19.099   5.3118   0.0000   0.0000  1038.36  169.199  ?   ?  0.000000 169.1987 
1 1 1   -6   16   44 o  794.030  179.537   11.986   4.3591   11.986   4.3591   0.0000   0.0000  794.030  179.537  ?   ?  0.000000 179.5370 
1 1 1   -6   16   46 o  1413.62  170.646   38.651   7.4007   38.651   7.4007   0.0000   0.0000  1413.62  170.646  ?   ?  0.000000 170.6457 
1 1 1   -6   16   48 o  1086.92  179.490   24.752   5.8955   24.752   5.8955   0.0000   0.0000  1086.92  179.490  ?   ?  0.000000 179.4895 
1 1 1   -6   16   50 o  1368.08  190.032   43.212   7.9208   43.212   7.9208   0.0000   0.0000  1368.08  190.032  ?   ?  0.000000 190.0322 
1 1 1   -6   16   52 o  790.346  192.385   16.150   4.7163   16.150   4.7163   0.0000   0.0000  790.346  192.385  ?   ?  0.000000 192.3854 
1 1 1   -6   16   54 o  ?   ?    3.0521   14.494   3.0521   14.494   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6   17    1 o  2353.79  166.625   89.152   12.201   0.0000   0.0000   89.152   12.201  ?   ?   2353.79  166.625 0.000000 166.6249 
1 1 1   -6   17    3 f  1716.30  102.804   46.687   5.4994   58.585   8.0056   36.055   7.5675  1915.57  134.318  1492.31  164.692 423.2534 212.5201 
1 1 1   -6   17    5 o  1732.79  102.822   47.592   5.5539   59.172   8.0710   37.176   7.6545  1924.82  134.762  1515.57  163.906 409.2518 212.1934 
1 1 1   -6   17    9 o  759.491  158.346   9.5636   3.6437   0.0000   0.0000   9.5636   3.6437  ?   ?   759.491  158.346 0.000000 158.3455 
1 1 1   -6   17   11 o  1182.79  145.500   22.664   5.2751   0.0000   0.0000   22.664   5.2751  ?   ?   1182.79  145.500 0.000000 145.4998 
1 1 1   -6   17   13 o  648.235  127.040   6.9115   2.4864   6.3633   4.0002   7.2566   3.1741  622.800  188.770  659.669  156.097 -36.86847 244.9496 
1 1 1   -6   17   15 o  695.860  158.893   8.0958   3.3861   0.0000   0.0000   8.0958   3.3861  ?   ?   695.860  158.893 0.000000 158.8927 
1 1 1   -6   17   17 o  499.646  136.274   4.1290   2.1910   3.3547   3.6054   4.5824   2.7589  494.338  179.857  528.323  156.001 -33.98511 238.0859 
1 1 1   -6   17   19 o  309.910  122.337   0.8776   1.7524  -0.5586   2.4857   2.2968   2.4710  306.342  134.549  411.287  149.011 -104.9454 200.7683 
1 1 1   -6   17   21 o  790.146  116.723   10.159   2.8010   10.310   3.9091   9.9986   4.0153  783.497  164.576  769.774  171.028 13.72211 237.3512 
1 1 1   -6   17   23 o  249.401  116.400  -2.0785   2.2388   0.0000   0.0000  -2.0785   2.2388  ?   ?   249.401  116.400 0.000000 116.4005 
1 1 1   -6   17   25 o  2192.18  114.245   76.751   7.8149   75.709   10.951   77.833   11.156  2155.20  163.491  2184.97  164.259 -29.76514 231.7552 
1 1 1   -6   17   27 o  2571.00  176.716  108.365   14.140   0.0000   0.0000  108.365   14.140  ?   ?   2571.00  176.716 0.000000 176.7159 
1 1 1   -6   17   29 o  2646.13  123.026  112.062   10.194  106.192   14.357  118.030   14.476  2537.89  181.867  2682.33  173.278 -144.4456 251.1987 
1 1 1   -6   17   31 o  1479.59  110.268   35.137   5.0720   34.766   7.0212   35.541   7.3349  1453.88  156.706  1467.65  162.325 -13.77148 225.6243 
1 1 1   -6   17   33 o  4337.56  167.356  309.654   22.730  301.906   32.094  317.451   32.197  4159.38  247.540  4275.98  241.458 -116.6025 345.8003 
1 1 1   -6   17   35 o  1382.49  108.915   30.818   4.6767   24.972   6.3941   37.543   6.8578  1216.88  172.651  1509.63  146.939 -292.7549 226.7146 
1 1 1   -6   17   37 o  3824.16  230.955  257.063   27.526  257.063   27.526   0.0000   0.0000  3824.16  230.955  ?   ?  0.000000 230.9549 
1 1 1   -6   17   41 o  1217.99  121.328   24.652   4.5657   25.696   6.0365   23.257   6.9793  1217.16  162.440  1125.69  205.580 91.46973 262.0111 
1 1 1   -6   17   43 o  1130.40  170.188   23.219   5.8371   23.219   5.8371   0.0000   0.0000  1130.40  170.188  ?   ?  0.000000 170.1883 
1 1 1   -6   17   45 o  613.598  194.207   7.7288   4.1816   7.7288   4.1816   0.0000   0.0000  613.598  194.207  ?   ?  0.000000 194.2066 
1 1 1   -6   17   47 o  1034.01  161.374   20.820   5.0542   20.820   5.0542   0.0000   0.0000  1034.01  161.374  ?   ?  0.000000 161.3743 
1 1 1   -6   17   49 o  962.080  170.637   19.419   4.9522   19.419   4.9522   0.0000   0.0000  962.080  170.637  ?   ?  0.000000 170.6367 
1 1 1   -6   17   51 o  403.661  168.007   3.3377   3.5137   3.3377   3.5137   0.0000   0.0000  403.661  168.007  ?   ?  0.000000 168.0074 
1 1 1   -6   17   53 o  ?   ?   -7.6367   14.552  -7.6367   14.552   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -6   18    2 o  1858.03  116.378   54.881   6.7367   68.312   9.8950   43.278   9.1974  2062.54  154.332  1629.99  183.387 432.5455 239.6856 
1 1 1   -6   18    4 o  1363.89   95.647   29.494   4.0589   28.544   5.0855   31.162   6.7371  1336.12  122.933  1387.59  157.868 -51.46680 200.0872 
1 1 1   -6   18    6 f  617.730  117.301   6.2415   2.1859   12.089   3.2680   1.5073   2.9406  864.329  124.328  402.236  158.572 462.0930 201.5005 
1 1 1   -6   18    8 o  477.043  143.757   3.6652   2.3249  -0.0848   4.1739   5.3520   2.7993  416.061  178.562  568.916  153.566 -152.8557 235.5145 
1 1 1   -6   18   10 o  564.275  135.761   5.2735   2.3696   6.9023   3.9506   4.3582   2.9614  645.315  185.585  522.154  163.177 123.1614 247.1206 
1 1 1   -6   18   12 o  514.626  159.257   4.2538   2.8286   0.0000   0.0000   4.2538   2.8286  ?   ?   514.626  159.257 0.000000 159.2569 
1 1 1   -6   18   14 f  1418.44  147.088   32.554   6.4379   0.0000   0.0000   32.554   6.4379  ?   ?   1418.44  147.088 0.000000 147.0876 
1 1 1   -6   18   16 o  693.565  161.354   8.0473   3.4382   0.0000   0.0000   8.0473   3.4382  ?   ?   693.565  161.354 0.000000 161.3540 
1 1 1   -6   18   18 o  1240.75  155.317   25.114   5.9020   0.0000   0.0000   25.114   5.9020  ?   ?   1240.75  155.317 0.000000 155.3168 
1 1 1   -6   18   20 o  367.982  139.988   1.5499   2.2314   3.0034   3.5484   0.5991   2.8698  480.347  177.829  366.211  152.078 114.1352 233.9895 
1 1 1   -6   18   22 o  929.909  117.239   13.952   3.3379   17.804   4.9494   10.737   4.5206  1041.70  156.579  798.075  184.578 243.6288 242.0454 
1 1 1   -6   18   24 o  2411.21  170.239   94.426   12.771   0.0000   0.0000   94.426   12.771  ?   ?   2411.21  170.239 0.000000 170.2393 
1 1 1   -6   18   26 o  1072.62  163.547   18.964   5.3192   0.0000   0.0000   18.964   5.3192  ?   ?   1072.62  163.547 0.000000 163.5468 
1 1 1   -6   18   28 o  447.208  153.026   2.9919   2.5779   4.7962   3.6257   1.1473   3.6661  550.933  181.389  422.487  173.309 128.4467 250.8742 
1 1 1   -6   18   30 o  953.333  126.719   14.794   3.6890   19.669   5.0979   9.4357   5.3449  1092.99  153.163  742.263  216.559 350.7238 265.2491 
1 1 1   -6   18   32 o  2984.75  132.285  143.379   12.363  150.501   17.417  136.145   17.553  3013.94  185.450  2855.62  197.520 158.3215 270.9349 
1 1 1   -6   18   34 o  1429.22  113.211   32.890   5.0250   30.135   6.9008   36.000   7.3316  1345.88  167.361  1475.47  161.319 -129.5934 232.4516 
1 1 1   -6   18   36 o  1327.19  159.406   29.309   6.4920   29.309   6.4920   0.0000   0.0000  1327.19  159.406  ?   ?  0.000000 159.4057 
1 1 1   -6   18   38 o  1533.88  163.532   39.576   7.7333   39.576   7.7333   0.0000   0.0000  1533.88  163.532  ?   ?  0.000000 163.5323 
1 1 1   -6   18   40 o  1037.35  121.350   17.865   3.8672   15.604   4.8233   21.936   6.4711  944.026  169.394  1106.48  193.839 -162.4503 257.4252 
1 1 1   -6   18   42 o  1070.92  117.498   19.273   3.8753   16.404   4.8553   24.311   6.4329  953.995  168.708  1151.32  184.684 -197.3256 250.1410 
1 1 1   -6   18   44 o  1605.10  141.048   45.471   7.0171   45.471   7.0171   0.0000   0.0000  1605.10  141.048  ?   ?  0.000000 141.0481 
1 1 1   -6   18   46 o  467.274  181.602   3.9019   3.8116   3.9019   3.8116   0.0000   0.0000  467.274  181.602  ?   ?  0.000000 181.6022 
1 1 1   -6   18   48 o  1536.54  118.431   42.227   5.6541   46.523   7.1848   35.239   9.1639  1558.57  149.038  1162.33  258.472 396.2391 298.3624 
1 1 1   -6   18   50 o  736.410  166.734   11.607   3.7553   11.216   4.5228   12.475   6.7380  673.573  199.954  617.659  241.063 55.91425 313.1980 
1 1 1   -6   18   52 o  716.789  333.760   65.591   18.237   65.591   18.237   0.0000   0.0000  716.789  333.760  ?   ?  0.000000 333.7600 
1 1 1   -6   19    1 o  954.042  145.223   14.818   4.2014   14.818   4.2014   0.0000   0.0000  954.042  145.223  ?   ?  0.000000 145.2228 
1 1 1   -6   19    3 o  1068.04  220.462   19.220   7.1285   19.220   7.1285   0.0000   0.0000  1068.04  220.462  ?   ?  0.000000 220.4623 
1 1 1   -6   19    5 o  868.598  120.949   12.183   3.2003   12.740   3.9030   11.040   5.5909  882.813  146.316  809.211  216.435 73.60260 261.2518 
1 1 1   -6   19    7 o  1262.77  102.531   25.358   4.0191   24.579   5.0254   26.742   6.6949  1236.82  131.791  1279.98  171.340 -43.15771 216.1629 
1 1 1   -6   19    9 f  948.252  116.282   14.455   3.3803   15.023   4.2578   13.485   5.5593  960.059  146.257  894.807  203.068 65.25140 250.2550 
1 1 1   -6   19   11 o  467.237  138.547   3.5297   2.1723   6.4630   3.4147   1.5355   2.8155  624.023  170.096  397.029  155.587 226.9938 230.5214 
1 1 1   -6   19   13 o  515.084  153.834   4.3004   2.6710   2.4470   6.3511   4.6986   2.9440  563.853  229.334  538.233  161.676 25.61987 280.5945 
1 1 1   -6   19   15 o  1378.22  115.175   30.306   4.9249   36.260   8.5081   27.306   6.0396  1487.48  186.788  1298.72  151.355 188.7643 240.4119 
1 1 1   -6   19   17 o  386.498  159.741   0.7400   3.1447   3.2307   6.5710   0.0001   3.5815  589.369  235.535  388.225  165.978 201.1439 288.1412 
1 1 1   -6   19   19 o  2064.79  189.708   69.452   12.128   69.452   12.128   0.0000   0.0000  2064.79  189.708  ?   ?  0.000000 189.7079 
1 1 1   -6   19   21 o  821.322  157.324   11.143   3.8987   13.440   7.8046   10.380   4.5004  888.672  262.380  786.598  185.698 102.0740 321.4453 
1 1 1   -6   19   23 o  696.925  166.429   8.1105   3.5818   15.726   7.8843   6.1300   4.0207  955.228  257.670  614.342  189.832 340.8862 320.0468 
1 1 1   -6   19   25 o  1674.53  120.629   44.788   6.2827   53.333   10.559   40.105   7.8170  1803.19  189.858  1571.77  161.108 231.4285 249.0018 
1 1 1   -6   19   27 o  753.212  135.393   9.3290   3.0758   8.6655   4.2597   10.052   4.4460  716.510  187.641  771.245  186.215 -54.73468 264.3575 
1 1 1   -6   19   29 o  1189.01  119.364   22.745   4.3840   17.366   6.4860   27.270   5.9487  1008.12  212.184  1293.71  149.608 -285.5843 259.6240 
1 1 1   -6   19   31 o  3475.13  142.264  194.379   15.480  207.548   21.934  181.307   21.852  3540.73  198.639  3295.44  212.904 245.2837 291.1793 
1 1 1   -6   19   33 o  961.480  125.640   15.051   3.6921   12.387   5.1367   17.897   5.3105  849.252  196.985  1035.04  169.741 -185.7859 260.0288 
1 1 1   -6   19   35 o  1720.17  101.794   47.328   5.4585   51.440   7.0369   41.117   8.6491  1783.36  126.843  1568.27  179.356 215.0938 219.6766 
1 1 1   -6   19   37 o  883.675  131.545   12.936   3.5289   13.506   4.5438   12.070   5.6018  888.456  169.516  821.676  215.178 66.77985 273.9291 
1 1 1   -6   19   39 o  665.553  160.827   7.7505   3.3143   5.0045   4.1649   12.492   5.4729  551.866  194.194  823.823  211.178 -271.9575 286.8931 
1 1 1   -6   19   41 o  738.521  155.007   9.6604   3.4703   5.5855   4.2576   17.725   5.9899  562.790  196.445  971.943  203.348 -409.1522 282.7383 
1 1 1   -6   19   43 o  622.428  281.131   5.2372   11.666   5.2372   11.666   0.0000   0.0000  622.428  281.131  ?   ?  0.000000 281.1314 
1 1 1   -6   19   45 o  759.880  200.951   11.928   4.8546   11.928   4.8546   0.0000   0.0000  759.880  200.951  ?   ?  0.000000 200.9510 
1 1 1   -6   19   47 f  553.464  195.093   6.5701   4.2052   6.5701   4.2052   0.0000   0.0000  553.464  195.093  ?   ?  0.000000 195.0928 
1 1 1   -6   19   49 o  862.898  162.386   15.053   4.2266   13.125   5.1300   19.126   7.4576  736.868  211.353  802.935  259.909 -66.06677 334.9970 
1 1 1   -6   19   51 o  440.197  200.054   3.9148   6.0176   22.427   14.025  -0.2622   6.6620  577.583  275.960  392.679  188.303 184.9035 334.0838 
1 1 1   -6   20    2 o  384.402  151.989   1.3180   2.7090   2.8735   3.2618  -2.1404   4.8637  468.133  170.958  407.282  182.961 60.85074 250.4026 
1 1 1   -6   20    4 o  853.615  158.113   11.972   4.0705   11.972   4.0705   0.0000   0.0000  853.615  158.113  ?   ?  0.000000 158.1131 
1 1 1   -6   20    6 o  576.236  179.965   5.2980   3.6028   5.2980   3.6028   0.0000   0.0000  576.236  179.965  ?   ?  0.000000 179.9654 
1 1 1   -6   20    8 o  671.740  176.395   7.4893   3.7578   7.4893   3.7578   0.0000   0.0000  671.740  176.395  ?   ?  0.000000 176.3953 
1 1 1   -6   20   10 o  838.621  165.340   11.607   4.1874   11.607   4.1874   0.0000   0.0000  838.621  165.340  ?   ?  0.000000 165.3398 
1 1 1   -6   20   12 o  291.811  136.362  -2.9606   3.0875  -3.4627   5.9555  -2.7761   3.6106  435.615  198.376  327.749  151.178 107.8661 249.4151 
1 1 1   -6   20   14 o  809.189  131.590   10.639   3.2196   10.663   4.1800   10.604   5.0483  801.980  171.641  796.014  202.159 5.966553 265.1959 
1 1 1   -6   20   16 o  1681.87  107.656   44.846   5.6398   69.270   9.4308   31.248   7.0366  2082.25  145.559  1389.64  164.932 692.6095 219.9776 
1 1 1   -6   20   18 o  653.815  150.725   7.0736   3.0225   11.184   4.0096   1.6638   4.6000  823.524  161.261  481.695  195.451 341.8289 253.3892 
1 1 1   -6   20   20 o  828.067  132.468   11.145   3.3190   12.221   4.3945   9.7177   5.0637  859.586  169.293  762.166  206.879 97.42035 267.3186 
1 1 1   -6   20   22 o  2188.26   98.911   75.596   6.7773   76.074   8.5031   74.763   11.222  2186.43  124.717  2153.48  167.751 32.94922 209.0333 
1 1 1   -6   20   24 o  1423.65  165.708   32.943   7.2487   0.0000   0.0000   32.943   7.2487  ?   ?   1423.65  165.708 0.000000 165.7078 
1 1 1   -6   20   26 o  500.158  187.298   3.1409   3.9585   0.0000   0.0000   3.1409   3.9585  ?   ?   500.158  187.298 0.000000 187.2976 
1 1 1   -6   20   28 o  1634.28  160.586   43.377   8.1116   0.0000   0.0000   43.377   8.1116  ?   ?   1634.28  160.586 0.000000 160.5857 
1 1 1   -6   20   30 o  1101.16  115.026   19.482   3.9076   25.142   5.3013   12.750   5.7822  1245.99  138.208  862.683  214.862 383.3080 255.4738 
1 1 1   -6   20   32 o  1949.74  129.563   61.100   7.8650   68.745   13.392   57.074   9.7174  2024.93  214.470  1867.75  167.952 157.1855 272.4065 
1 1 1   -6   20   34 o  1373.46  110.398   30.292   4.7077   27.882   6.3543   33.225   7.0092  1299.78  159.473  1419.85  160.473 -120.0731 226.2367 
1 1 1   -6   20   36 o  405.844  157.450   1.8637   2.8613  -0.5774   3.9088   4.6816   4.1997  384.095  168.712  550.615  194.870 -166.5193 257.7555 
1 1 1   -6   20   38 o  465.334  162.155   3.3859   2.9004   3.6729   3.9554   3.0522   4.2659  502.730  187.427  491.165  191.778 11.56516 268.1556 
1 1 1   -6   20   40 o  588.919  165.879   6.1811   3.1893   4.7292   4.1810   8.2018   4.9323  535.581  193.864  663.587  211.014 -128.0068 286.5489 
1 1 1   -6   20   42 o  480.195  170.827   3.8722   3.2313   5.7377   4.0646   0.6684   5.3267  560.940  192.148  448.337  196.939 112.6035 275.1465 
1 1 1   -6   20   44 f  595.051  203.945   7.0266   4.5791   7.0266   4.5791   0.0000   0.0000  595.051  203.945  ?   ?  0.000000 203.9451 
1 1 1   -6   20   46 f  293.871  136.251  -1.5920   2.9889  -1.0869   3.4942  -2.9693   5.7704  328.817  150.582  384.043  181.609 -55.22592 235.9166 
1 1 1   -6   20   48 o  590.148  187.251   7.5227   3.8856   9.2838   4.6702   3.5620   7.0039  636.452  205.643  488.229  219.422 148.2231 300.7245 
1 1 1   -6   20   50 o  435.771  200.437   2.2889   6.2844   12.908   15.185   0.0942   6.9034  548.841  268.095  416.137  197.330 132.7035 332.8877 
1 1 1   -6   21    1 o  1514.04  102.540   36.269   4.8326   32.513   5.8902   44.003   8.4526  1427.76  133.295  1655.65  165.252 -227.8920 212.3104 
1 1 1   -6   21    3 o  1194.56  112.768   22.701   4.1681   24.196   5.0144   19.360   7.4976  1230.06  132.269  1076.50  229.444 153.5599 264.8390 
1 1 1   -6   21    5 o  472.381  179.383   2.5509   3.6599   2.5509   3.6599   0.0000   0.0000  472.381  179.383  ?   ?  0.000000 179.3828 
1 1 1   -6   21    7 o  1103.65  114.364   19.417   3.8948   21.432   4.7145   15.087   6.9122  1156.73  132.555  948.300  234.176 208.4347 269.0896 
1 1 1   -6   21    9 o  1803.70   99.925   51.390   5.6216   49.238   6.8967   55.649   9.7038  1760.80  125.919  1862.61  168.196 -101.8064 210.1084 
1 1 1   -6   21   11 o  406.604  190.210  -5.7591   6.0347  -5.7591   6.0347   0.0000   0.0000  406.604  190.210  ?   ?  0.000000 190.2099 
1 1 1   -6   21   13 o  1990.92  123.918   62.875   7.6868   62.875   7.6868   0.0000   0.0000  1990.92  123.918  ?   ?  0.000000 123.9177 
1 1 1   -6   21   15 o  2915.90  198.730  137.022   18.037  137.022   18.037   0.0000   0.0000  2915.90  198.730  ?   ?  0.000000 198.7305 
1 1 1   -6   21   17 o  1730.54  128.326   47.650   6.9041   49.698   11.010   46.323   8.8631  1746.49  205.245  1696.16  169.135 50.32874 265.9556 
1 1 1   -6   21   19 f  1995.00  198.894   64.630   12.259   64.630   12.259   0.0000   0.0000  1995.00  198.894  ?   ?  0.000000 198.8939 
1 1 1   -6   21   21 o  1480.48  120.180   34.913   5.5232   27.767   7.8121   42.055   7.8098  1298.95  198.359  1616.92  156.198 -317.9669 252.4763 
1 1 1   -6   21   23 o  1563.98  122.759   38.997   5.9635   35.226   8.8492   42.135   8.0717  1464.71  198.022  1615.76  161.710 -151.0575 255.6621 
1 1 1   -6   21   25 o  1678.21  105.897   44.701   5.5362   49.301   7.1098   37.616   8.8238  1756.85  130.169  1515.40  190.143 241.4443 230.4301 
1 1 1   -6   21   27 o  1734.66  131.540   48.143   7.0916   54.227   11.674   44.585   8.9278  1813.25  209.459  1655.30  174.896 157.9550 272.8766 
1 1 1   -6   21   29 o  1246.13  287.633   27.299   10.996   27.299   10.996   0.0000   0.0000  1246.13  287.633  ?   ?  0.000000 287.6328 
1 1 1   -6   21   31 o  3037.29  137.333  147.718   13.061  164.300   19.762  134.857   17.404  3158.02  200.893  2864.03  195.231 293.9963 280.1310 
1 1 1   -6   21   33 o  351.204  158.106  -1.5853   3.6545   6.3358   9.6183  -2.9217   3.9507  719.417  285.776  341.242  157.660 378.1747 326.3810 
1 1 1   -6   21   35 o  524.421  197.144   3.7415   4.3940   0.0000   0.0000   3.7415   4.3940  ?   ?   524.421  197.144 0.000000 197.1442 
1 1 1   -6   21   37 o  871.234  148.497   12.858   3.9058   11.520   5.5078   14.212   5.5397  796.037  215.628  890.819  203.109 -94.78149 296.2245 
1 1 1   -6   21   39 f  701.398  182.711   8.8702   4.0528   7.4715   6.3154   9.8495   5.2845  651.617  237.896  726.281  216.258 -74.66418 321.4997 
1 1 1   -6   21   41 o  1194.05  136.597   24.292   5.0153   28.613   7.3031   20.435   6.8994  1250.48  192.705  1030.32  220.519 220.1661 292.8543 
1 1 1   -6   21   43 o  439.119  183.648   1.9309   4.2272   1.9309   4.2272   0.0000   0.0000  439.119  183.648  ?   ?  0.000000 183.6476 
1 1 1   -6   21   45 o  858.640  157.811   13.585   4.0866   15.302   5.3359   11.150   6.3555  874.179  199.355  704.018  240.275 170.1619 312.2084 
1 1 1   -6   21   47 o  1006.76  146.091   18.673   4.4709   25.771   5.8597   8.7840   6.9165  1160.78  165.940  607.768  242.049 553.0094 293.4682 
1 1 1   -6   22    2 o  192.113   97.002  -9.2958   2.7893  -8.8473   3.3393 -10.3311   5.0734  229.268  114.406  308.577  151.601 -79.30931 189.9255 
1 1 1   -6   22    4 o  558.153  194.135   4.4723   4.1564   4.4723   4.1564   0.0000   0.0000  558.153  194.135  ?   ?  0.000000 194.1353 
1 1 1   -6   22    6 o  489.365  173.200   3.3197   3.3176   0.6409   3.9944   9.2784   5.9574  428.971  178.885  757.288  230.552 -328.3172 291.8117 
1 1 1   -6   22    8 o  476.460  174.062   2.9355   3.3817   2.4614   4.1066   3.9343   5.9608  487.563  188.773  594.614  228.178 -107.0511 296.1426 
1 1 1   -6   22   10 o  1124.68  165.152   20.491   5.6428   20.848   8.7666   20.238   7.3734  1114.01  256.606  1104.66  220.887 9.354736 338.5822 
1 1 1   -6   22   12 o  1673.46  107.332   44.293   5.5945   42.529   6.8765   47.747   9.6215  1634.67  135.569  1722.27  181.126 -87.60022 226.2420 
1 1 1   -6   22   14 o  763.291  158.633   9.5840   3.6676   10.957   4.5504   7.0379   6.1963  813.341  183.088  688.286  237.170 125.0547 299.6178 
1 1 1   -6   22   22 o  212.700  106.324  -8.0156   2.9405  -5.7033   4.1375 -10.3753   4.1797  311.071  148.965  261.762  130.194 49.30841 197.8410 
1 1 1   -6   22   24 o  453.329  190.301   0.6316   4.5654   0.6316   4.5654   0.0000   0.0000  453.329  190.301  ?   ?  0.000000 190.3009 
1 1 1   -6   22   26 o  496.261  183.823   3.1461   3.7926   0.2024   5.2539   6.3489   5.4803  472.749  201.544  648.397  223.068 -175.6483 300.6315 
1 1 1   -6   22   28 o  2353.28  105.008   87.599   7.7377  103.294   9.8575   62.405   12.489  2550.44  123.434  1947.70  208.004 602.7390 241.8708 
1 1 1   -6   22   30 o  2646.50  144.377  112.540   11.919   91.994   18.138  128.156   15.813  2331.02  252.537  2804.51  181.031 -473.4907 310.7209 
1 1 1   -6   22   32 o  615.693  213.343   5.8925   5.0172   9.4202   10.834   4.9294   5.6608  803.092  307.756  599.787  224.101 203.3049 380.7032 
1 1 1   -6   22   34 o  732.913  213.971   9.3778   5.2163   9.4686   10.527   9.3482   6.0055  783.744  302.574  733.659  232.795 50.08502 381.7656 
1 1 1   -6   22   36 o  1332.67  191.508   30.704   7.7619   0.0000   0.0000   30.704   7.7619  ?   ?   1332.67  191.508 0.000000 191.5081 
1 1 1   -6   22   38 o  1199.16  180.295   25.076   6.5603   23.069   12.939   25.770   7.6112  1017.50  342.856  1194.30  211.255 -176.8051 402.7144 
1 1 1   -6   22   40 o  1300.34  172.003   29.668   6.8315   19.191   13.163   33.530   7.9922  901.757  340.732  1366.04  192.159 -464.2793 391.1819 
1 1 1   -6   22   42 o  1059.90  237.781   22.504   7.6973   22.504   7.6973   0.0000   0.0000  1059.90  237.781  ?   ?  0.000000 237.7812 
1 1 1   -6   22   44 o  487.781  191.726   3.6751   4.2869   14.321   6.7545  -3.5052   5.5473  812.135  245.102  382.303  179.955 429.8323 304.0700 
1 1 1   -6   22   46 o  349.124  160.063  -1.2422   3.9635  -5.4149   5.6378   2.8357   5.5734  354.566  170.831  480.752  206.333 -126.1858 267.8737 
1 1 1   -6   23    1 o  1104.42  128.216   19.487   4.3515   18.189   5.3636   21.989   7.4430  1058.91  167.323  1156.23  213.447 -97.31921 271.2129 
1 1 1   -6   23    3 o  555.762  194.909   4.3659   4.1937   4.3659   4.1937   0.0000   0.0000  555.762  194.909  ?   ?  0.000000 194.9094 
1 1 1   -6   23    5 o  1549.68  107.691   37.973   5.1932   39.224   6.3482   35.442   9.0293  1571.62  130.172  1478.71  200.153 92.90210 238.7589 
1 1 1   -6   23    7 o  586.250  179.673   5.4708   3.6103   6.5576   4.4455   3.3656   6.1874  642.660  199.778  587.769  230.557 54.89093 305.0704 
1 1 1   -6   23    9 o  1348.93  114.359   28.864   4.7848   30.689   5.7952   24.956   8.4811  1387.76  135.076  1229.11  228.786 158.6523 265.6853 
1 1 1   -6   23   11 o  1571.25  111.359   39.076   5.4434   43.842   6.7103   29.904   9.3084  1661.69  130.003  1347.82  228.736 313.8690 263.0991 
1 1 1   -6   23   13 o  935.730  170.625   14.325   4.8151   14.674   6.5284   13.909   7.1306  938.022  225.131  913.107  244.514 24.91479 332.3720 
1 1 1   -6   23   15 o  365.734  158.782  -0.4993   3.3759  -1.0100   5.2778  -0.1457   4.3919  450.860  197.087  428.060  183.424 22.79965 269.2353 
1 1 1   -6   23   17 o  791.149  181.086   10.363   4.3891   9.6203   8.4378   10.639   5.1391  800.136  276.701  800.085  204.391 0.5114746E-01 344.0047 
1 1 1   -6   23   19 o  253.332  122.524  -4.8071   2.9685   1.3320   4.2049 -10.9066   4.1913  457.267  186.363  258.081  128.685 199.1859 226.4753 
1 1 1   -6   23   21 o  1625.07  231.171   43.452   11.432   43.452   11.432   0.0000   0.0000  1625.07  231.171  ?   ?  0.000000 231.1713 
1 1 1   -6   23   23 o  850.088  218.171   12.106   5.8365   12.106   5.8365   0.0000   0.0000  850.088  218.171  ?   ?  0.000000 218.1706 
1 1 1   -6   23   25 o  934.316  206.711   14.622   5.8873   14.622   5.8873   0.0000   0.0000  934.316  206.711  ?   ?  0.000000 206.7111 
1 1 1   -6   23   27 o  1873.45  151.903   56.413   8.8343   56.413   8.8343   0.0000   0.0000  1873.45  151.903  ?   ?  0.000000 151.9032 
1 1 1   -6   23   29 o  1932.44  150.546   60.263   9.0376   60.263   9.0376   0.0000   0.0000  1932.44  150.546  ?   ?  0.000000 150.5464 
1 1 1   -6   23   31 o  742.255  225.756   9.3823   5.7141  -1.2085   10.596   13.725   6.7852  621.535  275.180  885.629  239.095 -264.0939 364.5414 
1 1 1   -6   23   33 o  1154.83  144.270   21.947   5.1031   23.289   6.7458   20.151   7.8026  1170.15  190.678  1063.59  239.990 106.5566 306.5179 
1 1 1   -6   23   35 o  908.765  167.388   14.080   4.5876   19.912   6.1909   6.9770   6.8321  1072.93  191.291  666.437  246.750 406.4908 312.2139 
1 1 1   -6   23   37 o  432.208  185.279   0.5252   4.4845   6.5143   6.6061  -4.5935   6.1073  641.976  241.652  409.109  191.372 232.8673 308.2515 
1 1 1   -6   23   39 o  629.297  205.526   7.0564   4.6584   7.2570   6.3119   6.8163   6.9037  648.428  237.661  643.741  245.910 4.687622 341.9865 
1 1 1   -6   23   41 o  645.982  236.761   7.5884   6.2641 -12.3869   13.566   13.001   7.0620  532.424  258.568  802.410  252.184 -269.9865 361.1842 
1 1 1   -6   23   43 o  633.449  235.960   7.6375   6.2664   19.333   14.249   4.8332   6.9773  846.344  343.790  573.621  237.579 272.7226 417.8939 
1 1 1   -6   23   45 o  922.153  354.882   27.632   14.445   27.632   14.445   0.0000   0.0000  922.153  354.882  ?   ?  0.000000 354.8821 
1 1 1   -6   24    2 o  816.868  190.364   11.015   4.7790   11.015   4.7790   0.0000   0.0000  816.868  190.364  ?   ?  0.000000 190.3636 
1 1 1   -6   24    4 o  1413.11  115.530   31.637   5.0673   35.752   6.1916   23.290   8.8181  1500.04  133.207  1184.63  245.780 315.4146 279.5565 
1 1 1   -6   24    6 o  898.744  155.329   13.125   4.2131   15.163   5.0313   8.3424   7.7078  964.127  173.015  757.756  264.325 206.3712 315.9141 
1 1 1   -6   24    8 o  1369.30  143.894   29.924   6.0773   44.283   8.1198   11.636   9.1639  1666.06  157.514  866.765  288.517 799.2941 328.7139 
1 1 1   -6   24   10 o  1086.48  166.337   19.114   5.4787   21.809   7.3083   15.655   8.2783  1152.41  210.279  969.795  265.051 182.6104 338.3333 
1 1 1   -6   24   12 o  1155.79  133.779   21.353   4.7520   19.205   5.8230   25.636   8.2224  1086.62  177.252  1249.62  218.070 -163.0000 281.0206 
1 1 1   -6   24   14 o  1468.45  110.059   34.133   5.0238   40.320   6.5785   25.476   7.7815  1592.98  133.106  1248.07  206.326 344.9026 245.5350 
1 1 1   -6   24   16 o  763.337  167.512   9.5961   3.8939   12.707   5.2782   5.8807   5.7680  876.087  197.168  645.538  228.385 230.5487 301.7203 
1 1 1   -6   24   18 o  888.043  149.731   12.817   4.0154   15.979   5.4892   9.1777   5.8892  986.599  184.469  753.104  229.218 233.4949 294.2272 
1 1 1   -6   24   20 o  1456.30  142.584   33.882   6.4185   31.510   10.861   35.155   7.9564  1372.37  262.310  1476.24  175.568 -103.8635 315.6434 
1 1 1   -6   24   22 o  462.404  187.942   1.4373   4.2617   15.558   10.076  -1.6392   4.7031  968.131  300.733  410.010  182.340 558.1204 351.6931 
1 1 1   -6   24   24 o  1785.29  111.642   50.538   6.2096   55.558   8.0497   43.160   9.7584  1865.99  138.762  1627.53  195.389 238.4628 239.6495 
1 1 1   -6   24   26 o  275.633  133.742  -6.0359   3.6082  -9.1218   5.4175  -3.5756   4.8372  335.675  163.106  379.687  175.082 -44.01196 239.2849 
1 1 1   -6   24   28 o  1159.09  309.089   24.045   11.424   24.045   11.424   0.0000   0.0000  1159.09  309.089  ?   ?  0.000000 309.0885 
1 1 1   -6   24   30 o  566.622  227.504   3.0855   6.1620   3.0855   6.1620   0.0000   0.0000  566.622  227.504  ?   ?  0.000000 227.5042 
1 1 1   -6   24   32 o  716.064  297.724   4.8292   11.018   4.8292   11.018   0.0000   0.0000  716.064  297.724  ?   ?  0.000000 297.7237 
1 1 1   -6   24   34 o  738.404  197.139   9.5097   4.6436   14.575   6.1951   3.0146   7.0152  906.053  220.459  580.249  239.080 325.8037 325.2098 
1 1 1   -6   24   36 o  708.763  242.648   8.7386   6.4818   17.993   13.089   5.7316   7.4610  948.462  343.054  643.700  252.959 304.7615 426.2328 
1 1 1   -6   24   38 o  548.951  235.516   1.7699   7.2567   0.0000   0.0000   1.7699   7.2567  ?   ?   548.951  235.516 0.000000 235.5164 
1 1 1   -6   24   40 o  776.539  211.759   11.227   5.2910   10.384   7.4261   12.095   7.5404  738.149  259.339  785.220  261.730 -47.07153 368.4554 
1 1 1   -6   24   42 o  664.780  215.773   8.3588   5.1374   8.1688   7.0953   8.5681   7.4482  663.827  250.323  675.889  256.085 -12.06195 358.1081 
1 1 1   -6   25    1 o  681.235  264.785   4.7912   8.1038   4.7912   8.1038   0.0000   0.0000  681.235  264.785  ?   ?  0.000000 264.7851 
1 1 1   -6   25    3 o  398.323  185.789  -5.3279   5.6893   0.0000   0.0000  -5.3279   5.6893  ?   ?   398.323  185.789 0.000000 185.7886 
1 1 1   -6   25    5 o  378.441  168.321  -1.4962   4.0089  -0.1387   5.7196  -2.8071   5.6206  490.114  209.650  434.582  195.818 55.53192 286.8759 
1 1 1   -6   25    7 o  311.203  148.448  -5.3314   4.0244  -7.6535   5.1951  -1.8472   6.3638  343.691  165.200  484.538  213.952 -140.8470 270.3076 
1 1 1   -6   25    9 o  363.297  163.232  -1.8464   3.8732  -0.1172   4.6373  -5.8356   7.0435  441.746  188.862  452.230  209.492 -10.48361 282.0560 
1 1 1   -6   25   11 o  710.692  197.525   8.2625   4.5539   9.4473   5.5960   5.9395   7.8360  761.840  221.392  700.018  263.248 61.82269 343.9684 
1 1 1   -6   25   13 o  1282.22  123.410   26.132   4.8937   30.283   6.3896   20.244   7.6109  1376.52  150.706  1106.37  227.296 270.1453 272.7191 
1 1 1   -6   25   15 o  810.628  170.952   10.800   4.2026   11.191   5.6877   10.331   6.2370  822.489  217.512  795.966  234.426 26.52252 319.7918 
1 1 1   -6   25   17 o  1064.92  135.439   18.188   4.4141   24.239   6.0671   11.383   6.4339  1226.52  161.934  830.950  236.147 395.5723 286.3356 
1 1 1   -6   25   19 o  381.897  166.839  -0.7491   3.7769  -3.2400   5.4654   1.5277   5.2254  418.479  190.366  505.895  207.144 -87.41611 281.3323 
1 1 1   -6   25   21 o  1284.94  155.939   26.601   6.1456   37.649   10.961   21.536   7.4218  1507.58  240.269  1139.22  215.962 368.3589 323.0613 
1 1 1   -6   25   23 f  1327.22  156.190   28.436   6.3668   42.873   12.032   22.821   7.5035  1602.93  247.702  1171.64  212.347 431.2902 326.2633 
1 1 1   -6   25   25 o  1098.05  147.261   19.560   4.9356   13.825   6.9625   25.353   6.9976  900.886  241.773  1241.35  185.736 -340.4647 304.8807 
1 1 1   -6   25   27 o  1275.89  133.292   26.233   5.2466   32.455   7.2935   19.560   7.5528  1409.54  168.596  1069.00  232.280 340.5385 287.0163 
1 1 1   -6   25   29 o  636.387  221.282   6.2312   5.3999   3.2079   10.965   7.1992   6.2044  700.381  294.512  680.313  237.158 20.06891 378.1288 
1 1 1   -6   25   31 o  838.744  193.300   12.046   4.9725   14.661   6.7595   8.9624   7.3406  913.937  234.914  742.316  258.008 171.6215 348.9305 
1 1 1   -6   25   33 o  777.742  313.606   7.8981   11.763   7.8981   11.763   0.0000   0.0000  777.742  313.606  ?   ?  0.000000 313.6059 
1 1 1   -6   25   35 o  662.893  294.042   0.3558   12.154   0.3558   12.154   0.0000   0.0000  662.893  294.042  ?   ?  0.000000 294.0424 
1 1 1   -6   25   37 o  472.137  213.309  -2.0237   6.7214  -2.0237   6.7214   0.0000   0.0000  472.137  213.309  ?   ?  0.000000 213.3091 
1 1 1   -6   25   39 o  507.294  246.853 -15.3131   12.529 -15.3131   12.529   0.0000   0.0000  507.294  246.853  ?   ?  0.000000 246.8526 
1 1 1   -6   25   41 o  517.661  217.867   2.3795   6.0088   2.8809   8.8550   1.9516   8.1805  594.178  257.558  564.316  246.061 29.86169 356.2055 
1 1 1   -6   26    2 o  576.176  207.598   4.4323   4.7865   3.1689   6.7233   5.7309   6.8160  602.701  239.081  669.917  246.754 -67.21619 343.5801 
1 1 1   -6   26    4 o  732.763  187.074   8.8266   4.3071   4.2430   5.4126   16.740   7.1120  589.013  219.319  1005.77  230.730 -416.7562 318.3350 
1 1 1   -6   26    6 o  665.873  222.329   6.6770   5.4404   6.0966   9.3996   6.9694   6.6715  743.918  286.275  700.482  245.825 43.43536 377.3372 
1 1 1   -6   26    8 o  568.725  216.907   3.6032   5.3658   12.500   8.6495  -1.9628   6.8415  885.630  279.205  502.629  221.893 383.0011 356.6402 
1 1 1   -6   26   10 o  585.227  223.548   3.8077   5.7050   4.3574   9.4633   3.4938   7.1505  709.141  282.905  623.287  246.777 85.85345 375.4115 
1 1 1   -6   26   12 o  481.685  190.357   2.0546   4.2473   0.4768   5.5814   4.2251   6.5465  497.211  209.656  621.899  239.010 -124.6877 317.9335 
1 1 1   -6   26   14 o  618.146  198.887   5.9359   4.3718   16.314   6.0365  -5.5123   6.3400  995.171  200.647  425.273  197.610 569.8989 281.6184 
1 1 1   -6   26   16 o  743.938  193.336   9.1454   4.5449   3.0760   6.2844   15.801   6.5808  583.455  231.241  974.659  220.753 -391.2050 319.6941 
1 1 1   -6   26   18 o  868.139  175.637   12.415   4.6105   10.095   6.3094   15.073   6.7537  786.364  236.789  949.167  229.714 -162.8025 329.9052 
1 1 1   -6   26   20 o  318.587  150.495  -4.4583   3.9434  -9.3508   5.8438  -0.3679   5.3434  354.669  171.630  466.070  201.050 -111.4016 264.3441 
1 1 1   -6   26   22 o  793.182  218.224   10.521   5.5899   6.6308   10.617   12.014   6.5751  769.896  302.005  846.013  238.130 -76.11633 384.5950 
1 1 1   -6   26   24 o  697.224  228.460   7.7339   5.7542   18.631   11.552   4.1383   6.6360  1038.89  321.903  614.148  239.359 424.7372 401.1415 
1 1 1   -6   26   26 o  908.778  177.856   13.761   4.8799   9.3757   6.9768   17.962   6.8280  761.065  251.667  1029.14  218.634 -268.0708 333.3727 
1 1 1   -6   26   28 o  1127.05  155.106   20.786   5.3288   27.793   7.4301   13.365   7.6466  1294.11  188.930  879.771  259.699 414.3397 321.1516 
1 1 1   -6   26   30 o  365.051  171.773  -5.0288   5.0461 -13.3126   11.283  -2.9578   5.6417  514.136  246.153  424.621  193.257 89.51520 312.9532 
1 1 1   -6   26   32 o  600.285  208.357   5.6001   4.7865   0.8328   7.1454   9.4805   6.4465  547.326  234.230  747.240  241.626 -199.9147 336.5220 
1 1 1   -6   26   34 o  291.296  142.773  -8.2786   4.4162   4.9313   7.2018 -16.2392   5.5907  630.718  248.313  281.816  141.662 348.9023 285.8797 
1 1 1   -6   26   36 o  597.960  234.564   4.5692   6.4046   4.5383   14.032   4.5774   7.1980  750.941  324.867  616.728  246.500 134.2130 407.7996 
1 1 1   -6   26   38 o  633.682  265.570   3.9687   8.8670   3.9687   8.8670   0.0000   0.0000  633.682  265.570  ?   ?  0.000000 265.5699 
1 1 1   -6   27    1 o  599.816  215.660   4.8445   5.1630   4.1959   7.2143   5.5256   7.3920  641.999  249.748  679.228  255.633 -37.22888 357.3832 
1 1 1   -6   27    3 o  966.873  168.805   15.200   4.9247   12.470   6.2816   19.552   7.9330  868.929  228.008  1086.24  239.664 -217.3118 330.7965 
1 1 1   -6   27    5 o  331.356  155.915  -4.4909   4.1570  -4.9132   5.3599  -3.8533   6.5852  388.294  180.849  460.973  209.411 -72.67862 276.6939 
1 1 1   -6   27    7 o  641.616  227.480   5.7306   5.7253   22.037   9.7102  -2.9596   7.0886  1148.37  273.884  496.034  221.990 652.3365 352.5510 
1 1 1   -6   27    9 o  517.861  200.347   2.7699   4.6228   1.6980   6.1305   4.1828   7.0384  546.587  224.152  635.609  246.845 -89.02234 333.4318 
1 1 1   -6   27   11 o  459.150  203.409  -1.8518   5.7984  -3.5478   9.4456  -0.8262   7.3452  575.240  256.930  541.363  234.620 33.87708 347.9360 
1 1 1   -6   27   13 o  971.714  219.779   15.688   6.5306   19.322   10.671   13.511   8.2576  1073.25  303.812  906.935  270.396 166.3110 406.7138 
1 1 1   -6   27   15 o  1063.35  205.116   18.658   6.5821   23.859   10.855   15.635   8.2773  1186.15  293.798  966.571  265.392 219.5792 395.9172 
1 1 1   -6   27   17 o  439.750  187.184   0.1019   4.5192   4.3832   6.3014  -4.4320   6.4847  615.768  235.007  445.752  204.501 170.0161 311.5269 
1 1 1   -6   27   19 o  1045.75  159.840   17.779   5.0677   13.927   7.0095   21.997   7.3352  910.168  241.835  1152.39  211.060 -242.2198 320.9838 
1 1 1   -6   27   21 o  442.710  196.680  -1.7593   5.4583 -19.3502   10.739   4.3676   6.3380  459.862  224.806  613.853  235.351 -153.9910 325.4654 
1 1 1   -6   27   23 o  1038.11  214.011   18.083   6.7254   23.133   13.339   16.362   7.7877  1148.50  343.946  979.138  252.406 169.3639 426.6231 
1 1 1   -6   27   25 o  1132.61  200.479   21.372   6.8497   24.493   12.304   19.970   8.2455  1175.19  323.949  1079.36  249.036 95.82825 408.6097 
1 1 1   -6   27   27 o  1037.02  177.159   17.823   5.5461   21.988   8.0188   14.004   7.6789  1135.11  233.402  902.018  258.542 233.0958 348.3106 
1 1 1   -6   27   29 o  448.909  193.166  -0.0448   4.9078  -7.6645   7.1995   6.5698   6.7079  427.910  202.505  673.141  245.263 -245.2300 318.0606 
1 1 1   -6   27   31 f  780.075  238.264   10.409   6.3550   1.4548   12.630   13.444   7.3538  710.492  307.787  876.661  253.515 -166.1693 398.7518 
1 1 1   -6   27   33 o  657.854  228.693   6.8614   5.7675   2.5222   9.7850   9.1714   7.1395  652.183  276.439  744.041  254.660 -91.85791 375.8593 
1 1 1   -6   27   35 f  580.772  224.717   4.3005   5.8164   3.4917   9.6800   4.7574   7.2764  659.311  276.953  627.843  248.827 31.46722 372.3139 
1 1 1   -6   28    2 o  871.900  232.045   12.577   6.4467   12.577   6.4467   0.0000   0.0000  871.900  232.045  ?   ?  0.000000 232.0449 
1 1 1   -6   28    4 o  519.488  214.868   1.2526   5.6960   1.2526   5.6960   0.0000   0.0000  519.488  214.868  ?   ?  0.000000 214.8680 
1 1 1   -6   28    6 o  587.844  231.112   3.2798   6.2305 -10.4253   10.411   10.926   7.7767  528.110  247.937  830.351  265.061 -302.2410 362.9460 
1 1 1   -6   28    8 o  1104.36  163.602   19.713   5.4863   19.055   6.8361   20.904   9.1959  1075.49  210.531  1117.32  266.569 -41.82996 339.6799 
1 1 1   -6   28   10 o  535.206  207.541   2.9496   4.9696   3.5622   6.1336   1.7789   8.4790  591.260  230.208  628.309  261.203 -37.04950 348.1708 
1 1 1   -6   28   12 o  563.325  229.470   2.0995   6.3710   2.0995   6.3710   0.0000   0.0000  563.325  229.470  ?   ?  0.000000 229.4701 
1 1 1   -6   28   14 o  492.583  203.379   1.2106   5.0901   2.7761   6.3817  -1.5269   8.4389  578.930  231.850  568.166  248.768 10.76471 340.0590 
1 1 1   -6   28   16 o  1232.90  200.267   24.909   7.4660   8.2530   12.038   35.321   9.5179  837.487  323.494  1469.51  213.060 -632.0249 387.3540 
1 1 1   -6   28   18 o  339.979  166.870 -12.1221   6.1011  -9.7359   10.446 -13.3576   7.5163  532.709  249.537  389.484  189.893 143.2249 313.5726 
1 1 1   -6   28   20 o  726.325  246.360   8.0904   6.6811   3.2283   11.603   10.502   8.1717  735.863  305.706  815.996  272.481 -80.13263 409.5145 
1 1 1   -6   28   22 o  1186.80  164.565   22.894   5.9509   32.147   8.0483   11.734   8.8389  1403.23  187.889  854.440  283.304 548.7879 339.9460 
1 1 1   -6   28   24 o  1189.87  198.997   23.445   7.1524   17.094   13.112   26.135   8.5338  1014.98  345.126  1248.68  226.606 -233.6945 412.8708 
1 1 1   -6   28   26 o  657.693  218.865   6.7928   5.2735   13.163   7.6619   1.0584   7.2693  880.140  260.001  565.630  238.927 314.5101 353.1099 
1 1 1   -6   28   28 o  434.659  191.938  -1.2395   5.1222   0.4187   7.7379  -2.5328   6.8339  567.498  243.329  484.237  217.249 83.26147 326.1993 
1 1 1   -6   28   30 o  720.746  237.009   8.4780   6.1909  -9.3009   10.234   18.738   7.7747  520.015  244.672  1039.19  243.232 -519.1795 345.0019 
1 1 1   -6   28   32 o  624.013  250.321   3.9923   7.4526   0.0000   0.0000   3.9923   7.4526  ?   ?   624.013  250.321 0.000000 250.3210 
1 1 1   -6   29    1 o  563.757  213.661   3.6618   5.1857   13.758   6.7393 -10.9938   8.1196  910.365  234.863  437.262  209.206 473.1024 314.5284 
1 1 1   -6   29    3 o  691.364  216.084   7.5759   5.1929   5.9414   6.8598   9.7697   7.9474  675.067  247.712  800.414  268.708 -125.3466 365.4657 
1 1 1   -6   29    5 o  1378.96  284.115   31.799   11.859   31.799   11.859   0.0000   0.0000  1378.96  284.115  ?   ?  0.000000 284.1145 
1 1 1   -6   29    7 o  849.180  246.005   11.833   6.9190   11.833   6.9190   0.0000   0.0000  849.180  246.005  ?   ?  0.000000 246.0046 
1 1 1   -6   29    9 o  518.201  245.762 -12.4833   10.715 -12.4833   10.715   0.0000   0.0000  518.201  245.762  ?   ?  0.000000 245.7622 
1 1 1   -6   29   11 o  415.654  187.227  -2.5138   5.1331   2.1097   6.3621 -11.1375   8.6887  563.452  229.392  457.456  218.188 105.9959 316.5858 
1 1 1   -6   29   13 o  384.429  178.473  -4.4280   5.1532  -7.0225   6.3734   0.4704   8.7574  406.530  191.821  612.744  260.691 -206.2142 323.6590 
1 1 1   -6   29   15 o  409.787  187.541  -3.6003   5.4079  -3.6607   6.8330  -3.4990   8.8475  472.629  214.161  552.910  247.686 -80.28085 327.4341 
1 1 1   -6   29   17 o  498.043  209.314   0.6883   5.5336   4.7122   7.0436  -5.7998   8.9440  645.259  247.936  524.989  240.601 120.2704 345.4868 
1 1 1   -6   29   19 o  613.562  248.751   2.8530   7.4443   2.8530   7.4443   0.0000   0.0000  613.562  248.751  ?   ?  0.000000 248.7507 
1 1 1   -6   29   21 o  992.055  240.564   16.613   7.3957   16.790   12.464   16.517   9.1881  1012.18  336.453  987.557  282.737 24.62390 439.4773 
1 1 1   -6   29   23 o  991.937  252.645   16.727   7.8687   12.693   14.151   18.532   9.4674  945.956  354.145  1039.99  283.121 -94.03204 453.4052 
1 1 1   -6   29   25 o  862.710  285.124   12.101   8.9555   0.0000   0.0000   12.101   8.9555  ?   ?   862.710  285.124 0.000000 285.1243 
1 1 1   -6   29   27 o  685.869  266.601   5.4751   8.2157   0.0000   0.0000   5.4751   8.2157  ?   ?   685.869  266.601 0.000000 266.6010 
1 1 1   -6   29   29 o  1006.35  211.643   17.153   6.4576   19.275   9.4226   15.273   8.8676  1048.35  281.224  939.508  280.227 108.8471 397.0066 
1 1 1   -6   30    2 o  469.096  210.758  -2.9603   6.4561   3.0491   9.4600  -8.1992   8.8328  683.242  279.117  494.753  231.010 188.4893 362.3146 
1 1 1   -6   30    4 o  557.924  232.598   1.1698   6.7507 -11.1986   10.800   9.1018   8.6486  533.953  251.263  795.101  279.834 -261.1486 376.0855 
1 1 1   -6   30    6 o  539.361  214.334   2.4983   5.4123  -1.5536   7.2416   7.6262   8.1464  524.919  230.124  748.134  270.637 -223.2153 355.2485 
1 1 1   -6   30    8 o  879.369  210.242   12.812   5.7106   9.4845   7.2807   18.133   9.2060  782.118  257.017  1041.35  277.364 -259.2319 378.1389 
1 1 1   -6   30   10 o  969.996  257.164   15.687   7.9376   15.687   7.9376   0.0000   0.0000  969.996  257.164  ?   ?  0.000000 257.1644 
1 1 1   -6   30   12 o  885.132  259.336   12.889   7.6505   12.889   7.6505   0.0000   0.0000  885.132  259.336  ?   ?  0.000000 259.3360 
1 1 1   -6   30   14 o  700.335  258.378   6.3978   7.4780   6.3978   7.4780   0.0000   0.0000  700.335  258.378  ?   ?  0.000000 258.3775 
1 1 1   -6   30   16 o  1057.64  211.064   18.509   6.7450   22.385   8.4516   11.711   11.194  1158.58  240.827  894.163  317.962 264.4143 398.8704 
1 1 1   -6   30   18 o  671.758  237.941   6.4255   6.2626   6.2401   8.1611   6.6911   9.7669  711.089  268.388  758.542  291.839 -47.45258 396.4873 
1 1 1   -6   30   20 o  788.345  260.869   9.7536   7.4958   9.1863   10.392   10.369   10.822  822.659  304.378  855.649  311.560 -32.98969 435.5635 
1 1 1   -6   30   22 o  517.518  226.665  -1.2589   7.0108  -3.5919   9.7573   1.2311   10.080  580.528  260.079  662.531  280.688 -82.00323 382.6579 
1 1 1   -6   30   24 o  1085.29  316.698   20.276   11.430   20.276   11.430   0.0000   0.0000  1085.29  316.698  ?   ?  0.000000 316.6981 
1 1 1   -6   30   26 o  851.763  346.587   6.9192   14.514   6.9192   14.514   0.0000   0.0000  851.763  346.587  ?   ?  0.000000 346.5869 
1 1 1   -6   31    1 o  478.283  211.025  -1.7484   6.1790  -7.5690   7.5994   9.6070   10.614  453.702  212.626  844.554  308.401 -390.8520 374.5943 
1 1 1   -6   31    3 o  760.720  297.940   5.8601   10.320   0.0000   0.0000   5.8601   10.320  ?   ?   760.720  297.940 0.000000 297.9398 
1 1 1   -6   31    5 o  712.628  232.785   7.8368   5.9759   12.664   7.5453  -0.2871   9.7882  879.922  257.471  636.211  273.257 243.7114 375.4470 
1 1 1   -6   31    7 o  536.527  219.902   1.6413   5.8961 -10.0164   7.6091   19.159   9.3275  426.729  203.712  1070.74  276.339 -644.0103 343.3102 
1 1 1   -6   31    9 o  455.372  213.024  -7.2992   7.5692   1.2502   10.901 -15.2584   10.518  694.033  292.844  487.832  234.623 206.2009 375.2403 
1 1 1   -6   31   11 o  594.388  233.715   3.3603   6.3724  -5.5989   7.9759   19.173   10.596  493.076  226.429  1071.43  302.555 -578.3496 377.9013 
1 1 1   -6   31   13 o  671.211  243.317   6.0629   6.5897   2.5469   8.4104   11.653   10.605  641.186  262.699  887.192  310.016 -246.0060 406.3501 
1 1 1   -6   31   15 o  1024.11  321.797   17.162   11.500   17.162   11.500   0.0000   0.0000  1024.11  321.797  ?   ?  0.000000 321.7972 
1 1 1   -6   31   17 o  1029.12  322.689   17.424   11.570   17.424   11.570   0.0000   0.0000  1029.12  322.689  ?   ?  0.000000 322.6892 
1 1 1   -6   31   19 o  983.635  333.591   15.245   12.250   15.245   12.250   0.0000   0.0000  983.635  333.591  ?   ?  0.000000 333.5915 
1 1 1   -6   31   21 o  658.456  246.800   5.4285   6.8763   6.3358   8.7553   3.9678   11.108  726.503  277.073  738.568  302.174 -12.06543 409.9739 
1 1 1   -6   32    2 o  721.307  245.678   7.7110   6.6444   7.2614   7.9958   8.7144   11.944  737.346  267.910  853.663  324.088 -116.3174 420.4863 
1 1 1   -6   32    4 o  730.514  267.470   6.9945   7.9915   7.3877   11.419   6.6170   11.188  816.831  315.191  796.944  310.746 19.88672 442.6152 
1 1 1   -6   32    6 f  531.335  222.241   0.8886   6.1917  -0.9468   7.8026   4.0099   10.175  557.503  241.714  722.323  291.526 -164.8199 378.6991 
1 1 1   -6   32    8 o  519.204  226.195  -1.1402   6.8996   1.9454   8.2752  -8.1766   12.497  626.662  259.075  620.862  284.488 5.799683 384.7766 
1 1 1   -6   32   10 o  729.761  275.956   6.3535   8.6382   7.2250   13.002   5.6648   11.558  847.309  333.622  786.945  313.056 60.36383 457.5021 
1 1 1   -6   32   12 f  562.876  242.376  -0.4598   7.7378  -1.6207   10.566   0.8829   11.363  640.304  279.408  701.559  297.662 -61.25488 408.2548 
1 1 1   -6   32   14 o  876.320  265.240   12.493   7.9017   17.700   10.762   6.4041   11.638  1034.66  308.745  800.617  315.514 234.0432 441.4434 
1 1 1   -5    0    9 o  1325.42   96.056   27.961   3.9384   27.961   3.9384   27.961   3.9384  1325.42   96.056  1325.42   96.056 -0.000000 0.000000 
1 1 1   -5    0   11 o  1112.01   94.478   19.795   3.2351   19.795   3.2351   19.795   3.2351  1112.01   94.478  1112.01   94.478 -0.000000 0.000000 
1 1 1   -5    0   13 o  381.596  119.344   2.8623   1.2510   2.8623   1.2510   2.8623   1.2510  381.596  119.344  381.596  119.344 -0.000000 0.000000 
1 1 1   -5    0   15 o  761.745   97.516   9.5368   2.2216   9.5368   2.2216   9.5368   2.2216  761.745   97.516  761.745   97.516 -0.000000 0.000000 
1 1 1   -5    0   17 o  921.095   95.733   13.737   2.6928   13.737   2.6928   13.737   2.6928  921.095   95.733  921.095   95.733 -0.000000 0.000000 
1 1 1   -5    0   19 o  215.915  124.781   0.9041   1.3666   0.9041   1.3666   0.9041   1.3666  215.915  124.781  215.915  124.781 -0.000000 0.000000 
1 1 1   -5    0   21 o  723.107  102.045   8.6865   2.1781   8.6865   2.1781   8.6865   2.1781  723.107  102.045  723.107  102.045 -0.000000 0.000000 
1 1 1   -5    0   23 f  1103.46  143.253   20.133   4.7194   20.133   4.7194   20.133   4.7194  1103.46  143.253  1103.46  143.253 -0.000000 0.000000 
1 1 1   -5    0   25 o  1965.69  153.943   62.189   9.3416   62.189   9.3416   62.189   9.3416  1965.69  153.943  1965.69  153.943 -0.000000 0.000000 
1 1 1   -5    0   27 o  694.267  170.066   8.8668   3.2021   8.8668   3.2021   8.8668   3.2021  694.267  170.066  694.267  170.066 -0.000000 0.000000 
1 1 1   -5    0   29 o  2717.65  176.269  119.595   14.855  119.595   14.855  119.595   14.855  2717.65  176.269  2717.65  176.269 -0.000000 0.000000 
1 1 1   -5    0   31 o  1071.25  154.115   19.354   4.8588   19.354   4.8588   19.354   4.8588  1071.25  154.115  1071.25  154.115 -0.000000 0.000000 
1 1 1   -5    0   33 o  2117.57  160.108   72.904   10.477   72.904   10.477   72.904   10.477  2117.57  160.108  2117.57  160.108 -0.000000 0.000000 
1 1 1   -5    0   35 o  509.876  194.087   5.6484   2.9157   5.6484   2.9157   5.6484   2.9157  509.876  194.087  509.876  194.087 -0.000000 0.000000 
1 1 1   -5    0   37 o  2732.77  179.687  122.482   15.223  122.482   15.223  122.482   15.223  2732.77  179.687  2732.77  179.687 -0.000000 0.000000 
1 1 1   -5    0   43 o  1510.63  154.636   37.544   7.1389   37.544   7.1389   37.544   7.1389  1510.63  154.636  1510.63  154.636 -0.000000 0.000000 
1 1 1   -5    0   45 o  1834.37  157.722   54.964   8.9052   54.964   8.9052   54.964   8.9052  1834.37  157.722  1834.37  157.722 -0.000000 0.000000 
1 1 1   -5    0   47 o  732.000  203.774   10.351   4.0406   10.351   4.0406   10.351   4.0406  732.000  203.774  732.000  203.774 -0.000000 0.000000 
1 1 1   -5    0   49 o  254.874  160.969   0.5001   2.7396   0.5001   2.7396   0.5001   2.7396  254.874  160.969  254.874  160.969 -0.000000 0.000000 
1 1 1   -5    0   51 o  3505.36  208.565  202.722   22.707  202.722   22.707  202.722   22.707  3505.36  208.565  3505.36  208.565 -0.000000 0.000000 
1 1 1   -5    0   53 o  1346.63  165.521   30.598   6.6967   30.598   6.6967   30.598   6.6967  1346.63  165.521  1346.63  165.521 -0.000000 0.000000 
1 1 1   -5    0   55 o  1893.17  166.199   59.933   9.6776   59.933   9.6776   59.933   9.6776  1893.17  166.199  1893.17  166.199 -0.000000 0.000000 
1 1 1   -5    0   57 f  2140.31  171.911   77.183   11.350   77.183   11.350   77.183   11.350  2140.31  171.911  2140.31  171.911 -0.000000 0.000000 
1 1 1   -5    0   59 o  1043.26  190.690   19.778   5.6139   19.778   5.6139   19.778   5.6139  1043.26  190.690  1043.26  190.690 -0.000000 0.000000 
1 1 1   -5    0   61 o  1080.64  186.348   21.132   5.7430   21.132   5.7430   21.132   5.7430  1080.64  186.348  1080.64  186.348 -0.000000 0.000000 
1 1 1   -5    1    8 o  606.576   60.747   5.8226   1.1383   4.7813   1.6105   6.8619   1.6090  543.776   98.200  656.770   79.886 -112.9944 126.5897 
1 1 1   -5    1   10 o  811.664   64.364   10.389   1.6224   10.722   2.2896   10.054   2.2993  821.792   90.477  794.988   94.198 26.80353 130.6114 
1 1 1   -5    1   12 o  2256.26   77.811   79.841   5.4973   78.045   7.7730   81.638   7.7757  2228.71  111.382  2279.61  108.933 -50.90015 155.7959 
1 1 1   -5    1   14 o  1432.82   68.286   32.200   3.0637   32.214   4.3322   32.185   4.3332  1428.53   97.432  1427.87   97.499 0.6596680 137.8372 
1 1 1   -5    1   16 o  3651.04  100.642  209.820   11.506  211.387   16.274  208.254   16.269  3654.94  142.199  3627.47  143.233 27.46802 201.8327 
1 1 1   -5    1   18 o  2515.46   81.831   99.533   6.4454   98.913   9.1171  100.152   9.1133  2501.62  116.391  2517.40  115.613 -15.78418 164.0523 
1 1 1   -5    1   20 o  2079.55  108.022   68.548   7.0098   69.195   9.9146   67.901   9.9120  2076.50  153.575  2056.41  155.074 20.08813 218.2507 
1 1 1   -5    1   22 o  1242.81   78.495   24.419   3.0390   23.189   3.7278   26.855   5.2474  1207.38   99.488  1292.79  131.456 -85.40955 164.8589 
1 1 1   -5    1   24 o  2223.74   90.205   78.152   6.2810   79.950   7.7017   74.582   10.853  2244.17  109.601  2144.20  162.871 99.97388 196.3143 
1 1 1   -5    1   26 o  1552.24  100.444   38.477   4.8559   39.232   6.8919   37.732   6.8429  1551.96  143.443  1520.94  145.459 31.02112 204.2895 
1 1 1   -5    1   28 o  755.750  100.655   9.2943   2.3227   8.8859   3.3361   9.6785   3.2357  722.633  152.244  758.601  141.424 -35.96759 207.7950 
1 1 1   -5    1   30 o  1203.80   99.667   23.495   3.7231   25.356   5.2591   21.626   5.2714  1231.77  138.770  1128.93  153.068 102.8376 206.6082 
1 1 1   -5    1   32 o  1960.57  109.942   62.852   6.7221   63.366   9.5472   62.347   9.4663  1924.01  159.920  1908.44  159.884 15.57092 226.1359 
1 1 1   -5    1   34 o  901.413  107.097   13.480   2.9637   10.840   4.2621   15.950   4.1239  769.449  180.088  963.106  140.917 -193.6573 228.6689 
1 1 1   -5    1   36 o  1115.77  152.830   22.122   5.1991   0.0000   0.0000   22.122   5.1991  ?   ?   1115.77  152.830 0.000000 152.8304 
1 1 1   -5    1   38 o  1639.14  161.792   49.182   8.1957   0.0000   0.0000   49.182   8.1957  ?   ?   1639.14  161.792 0.000000 161.7921 
1 1 1   -5    1   40 o  2359.41  122.885   95.672   9.0472   88.003   12.807  103.311   12.782  2126.82  194.460  2347.86  175.129 -221.0317 261.6962 
1 1 1   -5    1   42 o  1615.73  164.627   48.084   8.2125   48.084   8.2125   0.0000   0.0000  1615.73  164.627  ?   ?  0.000000 164.6270 
1 1 1   -5    1   44 o  2230.84  188.068   97.450   13.015   97.450   13.015   0.0000   0.0000  2230.84  188.068  ?   ?  0.000000 188.0676 
1 1 1   -5    1   46 o  2038.01  186.425   83.877   11.765   83.877   11.765   0.0000   0.0000  2038.01  186.425  ?   ?  0.000000 186.4253 
1 1 1   -5    1   48 o  3421.92  167.722  232.579   17.971  222.773   25.444  242.341   25.386  2799.28  294.711  3021.21  271.238 -221.9346 400.5306 
1 1 1   -5    1   50 o  843.333  128.410   13.360   3.2838   12.847   4.8112   13.807   4.4932  731.381  202.939  788.177  185.200 -56.79565 274.7419 
1 1 1   -5    1   52 o  2099.52  134.089   89.084   8.7692   85.204   12.475   92.874   12.329  1680.71  244.187  1839.99  218.253 -159.2758 327.5083 
1 1 1   -5    1   54 o  679.630  157.985   11.876   3.2983   10.453   4.8387   13.111   4.5077  483.793  198.856  591.034  202.351 -107.2410 283.7075 
1 1 1   -5    1   56 o  717.570  168.402   16.336   3.7188   12.378   5.3750   19.970   5.1505  402.023  185.082  600.309  215.445 -198.2861 284.0281 
1 1 1   -5    1   58 o  ?   ?   433.603   43.435  433.603   43.435   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -5    1   60 o  735.731  214.351   36.644   5.2397   39.129   7.5226   34.301   7.3024  353.905  175.798  335.395  167.640 18.51077 242.9158 
1 1 1   -5    1   62 o  419.401  183.301   27.101   4.5633   32.733   6.6178   21.996   6.3008  ?   ?   ?   ?  0.000000      ? 
1 1 1   -5    2    7 o  3906.32  149.656  239.992   18.305  248.307   25.870  231.654   25.906  3959.44  209.406  3822.26  217.348 137.1853 301.8132 
1 1 1   -5    2    9 o  2357.99   74.564   87.161   5.5054   84.658   7.7831   89.667   7.7884  2322.34  107.032  2390.22  104.062 -67.88452 149.2808 
1 1 1   -5    2   11 o  1864.24   71.777   54.487   4.1899   52.785   5.9242   56.190   5.9267  1830.61  103.778  1889.24  100.549 -58.62683 144.4990 
1 1 1   -5    2   13 o  869.605   64.666   11.922   1.7482   10.931   2.4668   12.922   2.4780  828.646   96.902  902.916   88.794 -74.27002 131.4320 
1 1 1   -5    2   15 o  1677.81   69.008   44.172   3.6254   44.140   5.1292   44.204   5.1251  1672.40   98.379  1673.65   98.226 -1.245728 139.0213 
1 1 1   -5    2   17 o  7176.90  196.034  826.177   44.054  864.864   53.966  748.896   76.273  7303.92  235.965  6626.78  369.042 677.1328 438.0315 
1 1 1   -5    2   19 o  891.849   75.708   12.598   2.0943   13.449   2.5825   10.964   3.5792  919.429   90.892  818.471  144.962 100.9584 171.1009 
1 1 1   -5    2   21 o  1422.87   97.747   32.112   4.3286   30.170   6.1313   34.042   6.1118  1368.16  145.344  1456.77  135.542 -88.60791 198.7378 
1 1 1   -5    2   23 o  2594.08   95.840  106.369   7.7848  110.422   9.5457   98.321   13.452  2637.32  115.592  2460.80  175.735 176.5168 210.3428 
1 1 1   -5    2   25 o  997.132   96.266   15.902   2.9683   15.004   4.2442   16.762   4.1529  955.111  146.598  1014.31  134.042 -59.19806 198.6408 
1 1 1   -5    2   27 o  2036.43   88.548   65.907   5.6463   62.495   6.9235   72.682   9.7565  1971.01  112.648  2105.53  148.946 -134.5208 186.7469 
1 1 1   -5    2   29 f  2573.40  120.615  107.654   9.7191  106.372   13.774  108.925   13.716  2500.66  177.049  2534.10  173.912 -33.44238 248.1770 
1 1 1   -5    2   31 o  1419.52  146.941   34.000   6.4368   0.0000   0.0000   34.000   6.4368  ?   ?   1419.52  146.941 0.000000 146.9407 
1 1 1   -5    2   33 o  1472.19  150.225   37.069   6.8280   0.0000   0.0000   37.069   6.8280  ?   ?   1472.19  150.225 0.000000 150.2245 
1 1 1   -5    2   35 o  1425.13  151.582   35.439   6.6604   0.0000   0.0000   35.439   6.6604  ?   ?   1425.13  151.582 0.000000 151.5819 
1 1 1   -5    2   37 o  2461.68  124.335  103.612   9.5529  100.023   13.561  107.148   13.460  2293.25  190.576  2394.58  180.842 -101.3337 262.7216 
1 1 1   -5    2   39 o  1483.21  106.159   37.032   4.8977   40.536   7.0522   33.767   6.8072  1498.79  152.388  1353.59  163.951 145.2037 223.8344 
1 1 1   -5    2   41 o  4114.53  180.300  317.676   23.229  320.260   32.893  315.106   32.809  3692.34  286.751  3652.01  289.275 40.32422 407.3157 
1 1 1   -5    2   43 o  1343.39  106.344   30.477   4.4368   33.614   6.4003   27.575   6.1560  1360.81  152.848  1217.54  165.783 143.2749 225.4917 
1 1 1   -5    2   45 o  2474.20  204.741  126.469   15.719  126.469   15.719   0.0000   0.0000  2474.20  204.741  ?   ?  0.000000 204.7413 
1 1 1   -5    2   47 o  2186.13  197.252  100.649   13.357  100.649   13.357   0.0000   0.0000  2186.13  197.252  ?   ?  0.000000 197.2522 
1 1 1   -5    2   49 o  1577.81  183.078   52.337   8.8769   52.337   8.8769   0.0000   0.0000  1577.81  183.078  ?   ?  0.000000 183.0780 
1 1 1   -5    2   51 o  3034.00  164.242  195.884   15.545  201.191   22.051  190.640   21.919  2483.65  288.938  2358.95  303.800 124.7061 419.2609 
1 1 1   -5    2   53 o  2078.35  140.660   94.847   9.1000   96.551   12.990   93.206   12.752  1611.04  266.839  1583.96  266.580 27.07043 377.1845 
1 1 1   -5    2   55 o  1382.94  141.237   47.948   6.0302   33.972   8.5978   61.479   8.4598  575.940  251.663  1287.12  217.666 -711.1839 332.7354 
1 1 1   -5    2   57 o  368.168  172.876   11.725   5.0653   11.725   5.0653   0.0000   0.0000  368.168  172.876  ?   ?  0.000000 172.8762 
1 1 1   -5    2   59 o  645.630  196.635   23.227   4.3329   19.836   6.4185   26.067   5.8730  320.511  159.724  420.595  193.571 -100.0837 250.9607 
1 1 1   -5    2   61 o  656.685  263.745   83.189   8.2842   96.399   11.939   70.923   11.505  ?   ?   ?   ?  0.000000      ? 
1 1 1   -5    3    2 o  154.325   60.540   0.2132   0.4267   0.0445   0.6449   0.3445   0.5690  169.706   71.397  183.296   70.458 -13.59007 100.3090 
1 1 1   -5    3    4 o  128.876   53.329   0.0639   0.3511  -0.0000   0.5552   0.1065   0.4532  154.762   65.736  148.421   60.916 6.340820 89.62173 
1 1 1   -5    3    6 o  5759.17  195.978  523.358   35.341  494.419   49.949  552.372   50.012  5565.73  287.587  5895.81  270.905 -330.0747 395.0898 
1 1 1   -5    3    8 o  3448.94   98.090  186.637   10.593  192.916   14.983  180.362   14.979  3502.92  136.601  3386.54  141.258 116.3828 196.5042 
1 1 1   -5    3   10 o  1589.58   77.292   39.621   3.8471   42.911   4.7210   33.119   6.6373  1651.21   91.670  1442.70  149.074 208.5045 175.0048 
1 1 1   -5    3   12 o  2142.28   88.898   72.039   5.9633   69.707   7.3108   76.675   10.308  2102.85  111.427  2199.77  150.558 -96.91797 187.3065 
1 1 1   -5    3   14 o  1182.05   76.797   22.024   2.8271   22.097   3.4772   21.881   4.8557  1181.94   94.751  1169.96  135.022 11.96960 164.9509 
1 1 1   -5    3   16 o  2623.47  117.969  108.633   9.6908  109.833   13.712  107.436   13.698  2621.99  167.898  2592.55  169.670 29.43335 238.6997 
1 1 1   -5    3   18 o  3038.85  184.187  148.691   17.443  148.691   17.443   0.0000   0.0000  3038.85  184.187  ?   ?  0.000000 184.1867 
1 1 1   -5    3   20 o  2722.73  120.804  117.480   10.299  116.361   14.568  118.597   14.562  2687.20  174.075  2713.77  172.263 -26.57642 244.9015 
1 1 1   -5    3   22 o  3096.41  129.750  152.546   12.580  156.724   17.797  148.373   17.785  3108.84  183.639  3021.58  188.921 87.25220 263.4662 
1 1 1   -5    3   24 o  1351.24  138.793   29.533   5.7890   0.0000   0.0000   29.533   5.7890  ?   ?   1351.24  138.793 0.000000 138.7932 
1 1 1   -5    3   26 f  2412.46  114.589   93.126   8.6560   97.387   12.257   88.886   12.226  2436.63  161.566  2322.26  169.301 114.3660 234.0219 
1 1 1   -5    3   28 o  1550.41   99.604   38.649   4.8099   41.487   6.8310   35.858   6.7737  1587.40  138.826  1469.41  149.293 117.9972 203.8656 
1 1 1   -5    3   30 o  2068.15  110.233   69.545   7.1128   69.019   10.056   70.071   10.062  2019.34  160.355  2035.93  159.105 -16.58301 225.8937 
1 1 1   -5    3   32 o  1431.87  147.218   34.751   6.5065   0.0000   0.0000   34.751   6.5065  ?   ?   1431.87  147.218 0.000000 147.2177 
1 1 1   -5    3   34 o  1260.09  147.524   27.357   5.7106   0.0000   0.0000   27.357   5.7106  ?   ?   1260.09  147.524 0.000000 147.5237 
1 1 1   -5    3   36 o  3555.32  254.320  265.610   28.125   0.0000   0.0000  265.610   28.125  ?   ?   3555.32  254.320 0.000000 254.3199 
1 1 1   -5    3   38 o  1748.27  108.266   51.411   5.8976   58.964   8.3303   43.822   8.3506  1820.52  147.399  1528.12  177.847 292.3987 230.9893 
1 1 1   -5    3   40 o  3175.12  234.863  210.312   23.185   0.0000   0.0000  210.312   23.185  ?   ?   3175.12  234.863 0.000000 234.8633 
1 1 1   -5    3   42 o  1461.58  157.708   38.751   7.1033   0.0000   0.0000   38.751   7.1033  ?   ?   1461.58  157.708 0.000000 157.7080 
1 1 1   -5    3   44 o  3409.52  276.263  277.513   29.240   0.0000   0.0000  277.513   29.240  ?   ?   3409.52  276.263 0.000000 276.2625 
1 1 1   -5    3   46 o  1682.69  168.516   54.733   8.7596   0.0000   0.0000   54.733   8.7596  ?   ?   1682.69  168.516 0.000000 168.5155 
1 1 1   -5    3   54 o  2175.34  149.228  115.756   10.103  134.986   14.482   97.522   14.102  1768.35  270.116  1074.70  357.913 693.6493 448.4018 
1 1 1   -5    3   56 o  672.056  305.043  102.800   13.935  102.800   13.935   0.0000   0.0000  672.056  305.043  ?   ?  0.000000 305.0425 
1 1 1   -5    3   58 o  649.292  313.612  255.482   19.293  265.552   27.440  245.636   27.132  ?   ?   ?   ?  0.000000      ? 
1 1 1   -5    3   60 o  ?   ?    95.481   12.906   0.0000   0.0000   95.481   12.906  ?   ?   ?   ?  0.000000      ? 
1 1 1   -5    3   62 o  514.102  217.619   49.256   6.0510   59.958   8.9072   40.085   8.2457  ?   ?   ?   ?  0.000000      ? 
1 1 1   -5    4    1 o  5158.17   25.689  416.616   4.1492  416.616   4.1492   0.0000   0.0000  5158.17   25.689  ?   ?  0.000000 25.68919 
1 1 1   -5    4    3 o  1078.78   68.560   18.311   2.3039   15.333   2.8241   24.238   3.9837  984.422   92.709  1238.57  103.672 -254.1505 139.0788 
1 1 1   -5    4    5 o  2334.34  111.066   85.536   8.1183   86.982   11.486   84.092   11.476  2345.73  157.283  2305.88  159.934 39.84839 224.3139 
1 1 1   -5    4    7 o  3934.66  149.372  243.621   18.403  238.308   26.027  248.934   26.025  3875.11  215.348  3961.98  210.533 -86.87354 301.1625 
1 1 1   -5    4    9 o  3800.75  145.660  227.434   17.335  234.740   24.519  220.133   24.512  3845.70  204.351  3722.06  211.189 123.6426 293.8711 
1 1 1   -5    4   11 o  612.689   93.057   6.0270   1.7291   6.4350   2.4666   5.6327   2.4246  627.949  129.739  586.468  134.851 41.48102 187.1288 
1 1 1   -5    4   13 o  2293.34  110.569   82.770   7.9399   84.867   11.233   80.676   11.225  2311.18  156.130  2252.27  160.208 58.91602 223.7038 
1 1 1   -5    4   15 o  560.427   91.196   5.0659   1.5453   7.1012   2.2198   3.1521   2.1526  662.434  110.940  447.489  139.001 214.9453 177.8456 
1 1 1   -5    4   17 f  2451.59  164.514   96.280   12.556   96.280   12.556   0.0000   0.0000  2451.59  164.514  ?   ?  0.000000 164.5137 
1 1 1   -5    4   19 o  2020.77  106.644   64.683   6.7241   63.643   9.5192   65.719   9.4994  1992.01  153.803  2025.33  150.872 -33.31531 215.4477 
1 1 1   -5    4   21 o  1174.53   94.072   21.906   3.4307   24.108   4.8787   19.752   4.8252  1225.26  129.105  1104.47  142.871 120.7898 192.5619 
1 1 1   -5    4   23 o  1949.70  151.357   61.346   9.1679   0.0000   0.0000   61.346   9.1679  ?   ?   1949.70  151.357 0.000000 151.3570 
1 1 1   -5    4   25 o  5451.60  199.585  492.827   34.070  506.683   48.194  478.985   48.170  5363.01  288.043  5195.28  297.341 167.7334 413.9818 
1 1 1   -5    4   27 o  819.172   95.886   10.843   2.4130   10.824   3.4123   10.863   3.4126  804.773  140.527  806.373  140.245 -1.599915 198.5362 
1 1 1   -5    4   29 o  3584.70  147.102  212.936   16.512  206.893   23.356  218.975   23.346  3415.33  219.561  3527.12  212.374 -111.7935 305.4665 
1 1 1   -5    4   31 o  2701.38  123.319  119.721   10.431  127.897   14.766  111.577   14.737  2727.39  173.812  2528.65  187.464 198.7402 255.6426 
1 1 1   -5    4   33 o  1866.09  157.364   59.860   9.1093   0.0000   0.0000   59.860   9.1093  ?   ?   1866.09  157.364 0.000000 157.3639 
1 1 1   -5    4   35 o  3267.40  224.547  207.126   22.834   0.0000   0.0000  207.126   22.834  ?   ?   3267.40  224.547 0.000000 224.5467 
1 1 1   -5    4   37 o  758.674  153.480   10.465   3.5208   0.0000   0.0000   10.465   3.5208  ?   ?   758.674  153.480 0.000000 153.4798 
1 1 1   -5    4   39 o  1093.03  151.537   21.451   5.0469   0.0000   0.0000   21.451   5.0469  ?   ?   1093.03  151.537 0.000000 151.5372 
1 1 1   -5    4   41 o  755.279  103.503   9.6218   2.3834   6.5771   3.2992   12.945   3.4469  590.275  169.549  860.012  132.235 -269.7371 215.0188 
1 1 1   -5    4   43 o  638.843  162.125   7.6995   3.2485   0.0000   0.0000   7.6995   3.2485  ?   ?   638.843  162.125 0.000000 162.1248 
1 1 1   -5    4   45 o  3205.29  262.246  242.455   26.090   0.0000   0.0000  242.455   26.090  ?   ?   3205.29  262.246 0.000000 262.2458 
1 1 1   -5    4   47 o  1244.10  159.958   29.706   6.0869   0.0000   0.0000   29.706   6.0869  ?   ?   1244.10  159.958 0.000000 159.9580 
1 1 1   -5    4   49 o  1666.80  174.670   56.874   8.9809   0.0000   0.0000   56.874   8.9809  ?   ?   1666.80  174.670 0.000000 174.6704 
1 1 1   -5    4   51 o  1568.14  186.908   56.471   8.9968   0.0000   0.0000   56.471   8.9968  ?   ?   1568.14  186.908 0.000000 186.9081 
1 1 1   -5    4   59 o  419.641  208.465   71.956   10.585   0.0000   0.0000   71.956   10.585  ?   ?   419.641  208.465 0.000000 208.4647 
1 1 1   -5    4   61 o  283.734  140.380   13.886   4.6193   0.0000   0.0000   13.886   4.6193  ?   ?   283.734  140.380 0.000000 140.3801 
1 1 1   -5    5    2 o  2717.95  119.456  116.021   10.166  117.732   14.379  114.312   14.376  2728.47  169.137  2688.00  171.698 40.47461 241.0136 
1 1 1   -5    5    4 o  2649.87  117.887  110.283   9.7816  112.632   13.836  107.937   13.831  2668.68  166.401  2611.65  170.056 57.03125 237.9248 
1 1 1   -5    5    6 o  1464.86   96.134   33.816   4.3850   35.262   6.2103   32.378   6.1925  1491.46  134.424  1427.83  140.319 63.62915 194.3172 
1 1 1   -5    5    8 f  4591.27  167.222  332.586   24.041  330.315   34.001  334.857   33.996  4551.25  239.426  4583.12  237.709 -31.87598 337.3871 
1 1 1   -5    5   10 o  2508.71  114.797   98.979   9.0178  102.847   12.759   95.117   12.748  2546.85  160.812  2447.57  167.335 99.27905 232.0806 
1 1 1   -5    5   12 o  2951.18  124.665  137.264   11.520  144.577   16.298  129.963   16.285  3014.70  173.387  2855.13  183.127 159.5710 252.1876 
1 1 1   -5    5   14 f  1629.39   99.156   41.940   5.0349   43.820   7.1290   40.068   7.1118  1658.77  138.522  1584.36  144.959 74.40967 200.5035 
1 1 1   -5    5   16 o  1746.69  145.138   48.756   7.8662   48.756   7.8662   0.0000   0.0000  1746.69  145.138  ?   ?  0.000000 145.1383 
1 1 1   -5    5   18 o  759.360   93.455   9.2214   2.1752   9.2531   3.0825   9.1899   3.0699  752.475  135.826  749.854  135.745 2.620422 192.0300 
1 1 1   -5    5   20 o  2135.14  108.409   72.263   7.2241   74.523   10.227   70.012   10.206  2155.56  152.503  2087.39  157.303 68.16602 219.0921 
1 1 1   -5    5   22 o  1735.26  101.325   47.792   5.4816   49.642   7.7696   45.959   7.7348  1757.21  142.433  1688.67  147.769 68.54395 205.2380 
1 1 1   -5    5   24 o  1815.69  103.408   52.514   5.8548   53.146   8.3017   51.890   8.2583  1810.70  147.709  1788.59  148.806 22.10608 209.6692 
1 1 1   -5    5   26 o  1947.81  106.475   60.828   6.4694   58.621   9.1555   63.029   9.1427  1886.71  156.383  1960.53  150.071 -73.81396 216.7417 
1 1 1   -5    5   28 o  2077.99  109.523   69.775   7.1012   67.967   10.047   71.579   10.038  2015.45  160.531  2072.35  155.837 -56.89966 223.7304 
1 1 1   -5    5   30 o  414.436  105.794   2.8805   1.3776   3.0127   1.9578   2.7510   1.9387  427.062  132.550  411.739  132.439 15.32339 187.3756 
1 1 1   -5    5   32 o  1973.14  108.578   63.565   6.6826   61.139   9.4528   65.989   9.4483  1889.16  161.347  1970.09  154.398 -80.92249 223.3192 
1 1 1   -5    5   34 f  1333.24  100.542   29.151   4.1665   27.480   5.9237   30.787   5.8613  1257.52  153.635  1341.37  141.693 -83.84814 208.9990 
1 1 1   -5    5   36 o  734.897  150.963   9.7107   3.3576   0.0000   0.0000   9.7107   3.3576  ?   ?   734.897  150.963 0.000000 150.9628 
1 1 1   -5    5   38 f  924.593  148.104   15.266   4.1431   0.0000   0.0000   15.266   4.1431  ?   ?   924.593  148.104 0.000000 148.1037 
1 1 1   -5    5   40 o  2428.93  184.666  109.865   13.940   0.0000   0.0000  109.865   13.940  ?   ?   2428.93  184.666 0.000000 184.6656 
1 1 1   -5    5   42 o  2291.22  180.405   97.926   12.838   0.0000   0.0000   97.926   12.838  ?   ?   2291.22  180.405 0.000000 180.4053 
1 1 1   -5    5   44 o  2226.63  118.424   85.102   8.2270   90.587   11.638   79.623   11.631  2197.48  170.473  2030.92  184.929 166.5549 251.5152 
1 1 1   -5    5   46 o  720.863  162.947   10.073   3.5916   0.0000   0.0000   10.073   3.5916  ?   ?   720.863  162.947 0.000000 162.9471 
1 1 1   -5    5   48 o  1187.51  161.388   27.373   5.8456   0.0000   0.0000   27.373   5.8456  ?   ?   1187.51  161.388 0.000000 161.3884 
1 1 1   -5    5   50 o  1188.50  168.127   29.303   6.0822   0.0000   0.0000   29.303   6.0822  ?   ?   1188.50  168.127 0.000000 168.1267 
1 1 1   -5    5   52 o  1838.17  238.374  102.853   13.397   0.0000   0.0000  102.853   13.397  ?   ?   1838.17  238.374 0.000000 238.3737 
1 1 1   -5    5   54 o  682.669  204.739   16.547   4.7240   0.0000   0.0000   16.547   4.7240  ?   ?   682.669  204.739 0.000000 204.7389 
1 1 1   -5    5   62 o  276.313  140.492   31.576   6.6177   0.0000   0.0000   31.576   6.6177  ?   ?   276.313  140.492 0.000000 140.4923 
1 1 1   -5    6    1 o  5844.86  289.785  546.467   53.036   0.0000   0.0000  546.467   53.036  ?   ?   5844.86  289.785 0.000000 289.7848 
1 1 1   -5    6    3 o  2432.23  162.253   93.659   12.286   0.0000   0.0000   93.659   12.286  ?   ?   2432.23  162.253 0.000000 162.2532 
1 1 1   -5    6    5 o  2640.48  117.917  109.586   9.7494  110.159   13.788  109.012   13.787  2636.90  167.864  2622.91  168.770 13.98022 238.0368 
1 1 1   -5    6    7 o  1518.01   97.420   36.333   4.6062   34.835   6.5108   37.835   6.5174  1480.21  142.224  1544.12  136.191 -63.90906 196.9156 
1 1 1   -5    6    9 o  1671.63   99.931   44.065   5.2067   43.133   7.3672   44.995   7.3597  1647.36  144.276  1683.36  140.923 -35.99695 201.6800 
1 1 1   -5    6   11 o  299.879  107.501   1.1935   1.2820   0.0000   0.0000   1.1935   1.2820  ?   ?   299.879  107.501 0.000000 107.5006 
1 1 1   -5    6   13 o  1508.93  139.799   36.325   6.5302   0.0000   0.0000   36.325   6.5302  ?   ?   1508.93  139.799 0.000000 139.7989 
1 1 1   -5    6   15 o  477.560  132.537   3.7182   2.0519   3.7182   2.0519   0.0000   0.0000  477.560  132.537  ?   ?  0.000000 132.5368 
1 1 1   -5    6   17 o  1566.32  142.011   39.269   6.8893   39.269   6.8893   0.0000   0.0000  1566.32  142.011  ?   ?  0.000000 142.0114 
1 1 1   -5    6   19 o  1751.69  101.610   48.596   5.5493   46.818   7.8451   50.378   7.8508  1708.21  148.135  1773.97  142.539 -65.75464 205.5757 
1 1 1   -5    6   21 o  3204.29  131.706  163.414   13.215  171.033   18.700  155.814   18.677  3247.98  184.632  3094.30  193.738 153.6787 267.6254 
1 1 1   -5    6   23 o  2379.39  113.561   90.051   8.4608   91.366   11.976   88.741   11.954  2372.45  162.191  2336.83  164.421 35.61206 230.9553 
1 1 1   -5    6   25 o  1591.23  100.310   40.474   4.9724   41.023   7.0447   39.929   7.0194  1585.28  143.474  1563.15  145.065 22.13062 204.0308 
1 1 1   -5    6   27 o  2954.86  128.814  141.809   11.918  138.987   16.866  144.624   16.844  2861.42  189.309  2924.24  184.914 -62.81079 264.6338 
1 1 1   -5    6   29 o  2217.95  112.532   79.822   7.7897   75.680   11.015   83.967   11.018  2114.93  167.699  2237.20  158.305 -122.2686 230.6154 
1 1 1   -5    6   31 o  1620.04  101.919   42.567   5.1437   38.620   7.2661   46.531   7.2825  1508.27  156.111  1668.53  140.703 -160.2539 210.1624 
1 1 1   -5    6   33 o  3440.95  145.792  200.275   15.708  198.371   22.233  202.172   22.197  3273.51  218.156  3311.52  215.232 -38.01392 306.4583 
1 1 1   -5    6   35 o  2122.19  112.527   74.931   7.4508   78.346   10.575   71.564   10.500  2105.92  161.595  2001.71  169.103 104.2025 233.8990 
1 1 1   -5    6   37 o  1934.23  163.599   67.150   9.8155   0.0000   0.0000   67.150   9.8155  ?   ?   1934.23  163.599 0.000000 163.5986 
1 1 1   -5    6   39 o  261.798  110.377   0.2778   1.5467   0.0000   0.0000   0.2778   1.5467  ?   ?   261.798  110.377 0.000000 110.3774 
1 1 1   -5    6   41 o  2064.62  168.598   77.111   10.804   0.0000   0.0000   77.111   10.804  ?   ?   2064.62  168.598 0.000000 168.5977 
1 1 1   -5    6   43 o  1406.46  152.553   35.561   6.6107   0.0000   0.0000   35.561   6.6107  ?   ?   1406.46  152.553 0.000000 152.5530 
1 1 1   -5    6   45 o  2152.51  180.340   89.461   12.043   0.0000   0.0000   89.461   12.043  ?   ?   2152.51  180.340 0.000000 180.3401 
1 1 1   -5    6   47 o  1510.37  106.325   39.127   4.9964   42.665   7.0578   35.572   7.0740  1513.30  150.961  1352.33  170.872 160.9683 228.0055 
1 1 1   -5    6   49 o  1256.49  161.536   31.196   6.2083   0.0000   0.0000   31.196   6.2083  ?   ?   1256.49  161.536 0.000000 161.5363 
1 1 1   -5    6   51 o  1688.60  192.495   67.711   9.9961   0.0000   0.0000   67.711   9.9961  ?   ?   1688.60  192.495 0.000000 192.4950 
1 1 1   -5    6   53 o  1160.63  206.445   39.731   7.2277   0.0000   0.0000   39.731   7.2277  ?   ?   1160.63  206.445 0.000000 206.4446 
1 1 1   -5    6   55 o  669.858  212.337   19.073   4.9973   0.0000   0.0000   19.073   4.9973  ?   ?   669.858  212.337 0.000000 212.3372 
1 1 1   -5    6   57 o  508.532  254.448  141.641   17.027   0.0000   0.0000  141.641   17.027  ?   ?   508.532  254.448 0.000000 254.4476 
1 1 1   -5    7    2 o  1297.13  136.548   26.789   5.4628   0.0000   0.0000   26.789   5.4628  ?   ?   1297.13  136.548 0.000000 136.5477 
1 1 1   -5    7    4 o  2365.74  160.706   88.784   11.834   0.0000   0.0000   88.784   11.834  ?   ?   2365.74  160.706 0.000000 160.7058 
1 1 1   -5    7    6 o  1038.75  133.902   17.280   4.2538   0.0000   0.0000   17.280   4.2538  ?   ?   1038.75  133.902 0.000000 133.9015 
1 1 1   -5    7   12 o  1097.97   94.065   19.105   3.2027   17.390   4.5419   20.800   4.5170  1038.50  143.508  1140.33  128.758 -101.8278 192.8031 
1 1 1   -5    7   16 o  1157.59   94.228   21.244   3.3858   22.317   4.8042   20.186   4.7726  1179.76  132.332  1119.86  139.100 59.89941 191.9915 
1 1 1   -5    7   18 o  1508.81   98.380   36.055   4.6225   36.086   6.5495   36.024   6.5249  1500.48  141.054  1499.27  140.631 1.209595 199.1821 
1 1 1   -5    7   20 o  2120.09  108.729   71.309   7.1937   69.908   10.180   72.706   10.167  2084.29  157.130  2127.04  153.690 -42.75537 219.7963 
1 1 1   -5    7   24 o  1036.64   94.587   17.199   3.0364   16.218   4.2998   18.175   4.2886  992.799  142.393  1055.17  132.736 -62.37097 194.6659 
1 1 1   -5    7   26 o  1269.78   97.318   25.882   3.8399   24.055   5.4486   27.685   5.4125  1204.84  147.505  1299.17  135.023 -94.32727 199.9724 
1 1 1   -5    7   28 o  1483.50   99.698   35.453   4.6043   32.383   6.5142   38.518   6.5086  1392.00  151.920  1527.69  137.536 -135.6884 204.9287 
1 1 1   -5    7   30 o  2177.80  112.583   77.118   7.6510   71.550   10.834   82.658   10.807  2049.33  170.376  2217.07  156.675 -167.7454 231.4624 
1 1 1   -5    7   32 o  2376.96  116.471   92.571   8.6687   86.959   12.262   98.179   12.257  2235.44  176.617  2391.30  164.697 -155.8606 241.4927 
1 1 1   -5    7   34 o  1402.88  101.114   32.313   4.4119   28.661   6.2530   35.934   6.2259  1277.92  159.759  1451.00  138.720 -173.0852 211.5801 
1 1 1   -5    7   36 o  2068.43  112.525   71.319   7.2606   70.185   10.284   72.447   10.252  1981.07  167.351  2018.33  163.627 -37.25208 234.0515 
1 1 1   -5    7   38 o  1875.39  161.055   62.317   9.3659   0.0000   0.0000   62.317   9.3659  ?   ?   1875.39  161.055 0.000000 161.0549 
1 1 1   -5    7   40 o  1040.67  148.786   19.039   4.7103   0.0000   0.0000   19.039   4.7103  ?   ?   1040.67  148.786 0.000000 148.7863 
1 1 1   -5    7   42 o  3063.99  219.180  185.755   20.890   0.0000   0.0000  185.755   20.890  ?   ?   3063.99  219.180 0.000000 219.1802 
1 1 1   -5    7   44 o  676.071  154.759   8.4934   3.2054   0.0000   0.0000   8.4934   3.2054  ?   ?   676.071  154.759 0.000000 154.7588 
1 1 1   -5    7   46 f  1975.60  173.279   74.771   10.611   0.0000   0.0000   74.771   10.611  ?   ?   1975.60  173.279 0.000000 173.2785 
1 1 1   -5    7   48 o  589.536  160.923   6.9000   3.0538   0.0000   0.0000   6.9000   3.0538  ?   ?   589.536  160.923 0.000000 160.9226 
1 1 1   -5    7   50 o  375.451  124.479   2.6320   1.7064   2.4744   2.3793   2.7989   2.4487  373.922  143.991  388.651  146.935 -14.72986 205.7264 
1 1 1   -5    7   52 o  1856.92  258.828  116.589   14.640   0.0000   0.0000  116.589   14.640  ?   ?   1856.92  258.828 0.000000 258.8281 
1 1 1   -5    7   56 o  ?   ?   299.134   31.190   0.0000   0.0000  299.134   31.190  ?   ?   ?   ?  0.000000      ? 
1 1 1   -5    7   58 o  571.641  239.252   38.808   7.1822   0.0000   0.0000   38.808   7.1822  ?   ?   571.641  239.252 0.000000 239.2520 
1 1 1   -5    7   60 o  ?   ?   138.700   16.754   0.0000   0.0000  138.700   16.754  ?   ?   ?   ?  0.000000      ? 
1 1 1   -5    8    1 o  3864.40  148.023  235.879   17.911  228.893   25.327  242.869   25.334  3782.69  214.714  3899.24  208.249 -116.5466 299.1151 
1 1 1   -5    8    3 o  783.424   92.544   9.7756   2.2263   11.304   3.1640   8.2768   3.1332  838.152  124.329  711.293  145.581 126.8593 191.4461 
1 1 1   -5    8    7 o  4046.37  153.022  259.128   19.388  251.223   27.417  267.036   27.421  3954.82  222.301  4080.87  215.354 -126.0552 309.5080 
1 1 1   -5    8    9 o  3600.49  203.239  207.873   22.819   0.0000   0.0000  207.873   22.819  ?   ?   3600.49  203.239 0.000000 203.2388 
1 1 1   -5    8   11 o  2214.30  157.157   78.211   10.826   0.0000   0.0000   78.211   10.826  ?   ?   2214.30  157.157 0.000000 157.1566 
1 1 1   -5    8   15 f  2782.69  174.913  124.122   15.163   0.0000   0.0000  124.122   15.163  ?   ?   2782.69  174.913 0.000000 174.9129 
1 1 1   -5    8   17 o  958.517  135.401   14.854   3.9507   0.0000   0.0000   14.854   3.9507  ?   ?   958.517  135.401 0.000000 135.4009 
1 1 1   -5    8   19 o  632.664  137.929   6.6112   2.6553   0.0000   0.0000   6.6112   2.6553  ?   ?   632.664  137.929 0.000000 137.9290 
1 1 1   -5    8   21 o  1316.23  138.709   28.000   5.6307   0.0000   0.0000   28.000   5.6307  ?   ?   1316.23  138.709 0.000000 138.7092 
1 1 1   -5    8   23 o  2328.68  111.610   86.502   8.1382   94.246   11.531   78.817   11.487  2406.36  153.842  2191.31  168.712 215.0522 228.3225 
1 1 1   -5    8   25 f  1811.69  104.158   52.631   5.8838   51.084   8.3266   54.174   8.3155  1761.31  152.482  1816.99  147.428 -55.67554 212.0979 
1 1 1   -5    8   27 o  468.672  105.607   3.6604   1.5127   3.2001   2.1279   4.1307   2.1507  442.634  138.320  495.139  135.005 -52.50504 193.2841 
1 1 1   -5    8   29 f  1997.35  108.195   64.544   6.7415   57.028   9.5351   72.056   9.5327  1836.16  167.695  2082.76  147.117 -246.6031 223.0804 
1 1 1   -5    8   31 o  1070.17   97.387   18.599   3.2277   14.967   4.5727   22.206   4.5566  929.378  163.081  1155.72  128.065 -226.3445 207.3551 
1 1 1   -5    8   33 o  1889.84  108.149   58.635   6.3732   55.826   9.0380   61.414   8.9884  1792.61  162.790  1891.28  153.091 -98.66589 223.4672 
1 1 1   -5    8   35 o  1858.56  108.005   57.081   6.2583   52.218   8.8632   61.916   8.8381  1716.52  167.017  1890.27  150.568 -173.7542 224.8678 
1 1 1   -5    8   37 o  3768.77  159.356  248.040   18.806  227.486   26.602  268.571   26.588  3344.28  255.981  3718.17  229.491 -373.8918 343.7914 
1 1 1   -5    8   39 o  398.686  140.369   2.5082   2.1764   0.0000   0.0000   2.5082   2.1764  ?   ?   398.686  140.369 0.000000 140.3694 
1 1 1   -5    8   41 o  1731.14  157.335   52.892   8.4354   0.0000   0.0000   52.892   8.4354  ?   ?   1731.14  157.335 0.000000 157.3347 
1 1 1   -5    8   43 o  2215.37  176.972   90.917   12.174   0.0000   0.0000   90.917   12.174  ?   ?   2215.37  176.972 0.000000 176.9724 
1 1 1   -5    8   45 o  1246.31  155.476   28.415   5.9355   0.0000   0.0000   28.415   5.9355  ?   ?   1246.31  155.476 0.000000 155.4757 
1 1 1   -5    8   47 o  731.687  167.199   10.428   3.7469   0.0000   0.0000   10.428   3.7469  ?   ?   731.687  167.199 0.000000 167.1987 
1 1 1   -5    8   49 o  2695.12  248.243  182.998   20.714   0.0000   0.0000  182.998   20.714  ?   ?   2695.12  248.243 0.000000 248.2435 
1 1 1   -5    8   51 o  1931.79  221.568  100.870   13.160   0.0000   0.0000  100.870   13.160  ?   ?   1931.79  221.568 0.000000 221.5684 
1 1 1   -5    8   53 o  749.384  188.288   16.038   4.4127   16.038   4.4127   0.0000   0.0000  749.384  188.288  ?   ?  0.000000 188.2885 
1 1 1   -5    8   55 o  838.114  227.779   29.487   6.1340   0.0000   0.0000   29.487   6.1340  ?   ?   838.114  227.779 0.000000 227.7793 
1 1 1   -5    8   57 o  627.951  226.779   25.871   5.7165   0.0000   0.0000   25.871   5.7165  ?   ?   627.951  226.779 0.000000 226.7788 
1 1 1   -5    8   59 o  425.808  187.109   17.810   4.8120   0.0000   0.0000   17.810   4.8120  ?   ?   425.808  187.109 0.000000 187.1090 
1 1 1   -5    8   61 o  336.242  163.825   23.803   5.5680   0.0000   0.0000   23.803   5.5680  ?   ?   336.242  163.825 0.000000 163.8254 
1 1 1   -5    9    2 o  4619.82  169.039  338.690   24.453  341.578   34.582  335.802   34.582  4602.07  240.817  4561.69  242.980 40.38232 342.0997 
1 1 1   -5    9    4 o  883.479   94.619   12.412   2.5768   11.856   3.6562   12.960   3.6322  855.085  141.503  896.435  133.472 -41.34979 194.5198 
1 1 1   -5    9    6 o  904.915  137.204   13.226   3.7658   13.226   3.7658   0.0000   0.0000  904.915  137.204  ?   ?  0.000000 137.2042 
1 1 1   -5    9    8 o  2731.72  120.682  117.731   10.323  120.503   14.596  114.958   14.601  2748.22  170.453  2682.72  174.774 65.50269 244.1315 
1 1 1   -5    9   10 f  3581.92  202.914  206.052   22.665   0.0000   0.0000  206.052   22.665  ?   ?   3581.92  202.914 0.000000 202.9136 
1 1 1   -5    9   12 o  1091.19  136.657   19.130   4.5669   19.130   4.5669   0.0000   0.0000  1091.19  136.657  ?   ?  0.000000 136.6566 
1 1 1   -5    9   14 o  1590.62   99.623   40.016   4.9368   40.877   6.9760   39.153   6.9874  1599.79  140.690  1564.62  144.247 35.16736 201.4970 
1 1 1   -5    9   16 o  2942.06  180.800  139.214   16.575   0.0000   0.0000  139.214   16.575  ?   ?   2942.06  180.800 0.000000 180.7999 
1 1 1   -5    9   18 o  4215.98  231.037  291.901   30.384   0.0000   0.0000  291.901   30.384  ?   ?   4215.98  231.037 0.000000 231.0371 
1 1 1   -5    9   20 o  3069.78  187.232  153.820   17.911   0.0000   0.0000  153.820   17.911  ?   ?   3069.78  187.232 0.000000 187.2325 
1 1 1   -5    9   22 o  1425.50  140.969   33.025   6.2098   0.0000   0.0000   33.025   6.2098  ?   ?   1425.50  140.969 0.000000 140.9695 
1 1 1   -5    9   24 o  701.994  144.191   8.2744   3.0634   0.0000   0.0000   8.2744   3.0634  ?   ?   701.994  144.191 0.000000 144.1914 
1 1 1   -5    9   26 o  606.382  143.190   6.2323   2.6753   0.0000   0.0000   6.2323   2.6753  ?   ?   606.382  143.190 0.000000 143.1896 
1 1 1   -5    9   28 o  2541.45  174.401  108.930   13.795   0.0000   0.0000  108.930   13.795  ?   ?   2541.45  174.401 0.000000 174.4009 
1 1 1   -5    9   30 o  556.310  145.581   5.3238   2.5653   0.0000   0.0000   5.3238   2.5653  ?   ?   556.310  145.581 0.000000 145.5809 
1 1 1   -5    9   32 o  1384.16  146.049   32.539   6.2344   0.0000   0.0000   32.539   6.2344  ?   ?   1384.16  146.049 0.000000 146.0493 
1 1 1   -5    9   34 o  2087.83  164.930   76.166   10.694   0.0000   0.0000   76.166   10.694  ?   ?   2087.83  164.930 0.000000 164.9296 
1 1 1   -5    9   36 o  926.445  145.867   14.880   4.0916   0.0000   0.0000   14.880   4.0916  ?   ?   926.445  145.867 0.000000 145.8666 
1 1 1   -5    9   38 o  1156.08  146.975   23.031   5.2002   0.0000   0.0000   23.031   5.2002  ?   ?   1156.08  146.975 0.000000 146.9749 
1 1 1   -5    9   40 o  2642.76  188.646  126.913   15.508   0.0000   0.0000  126.913   15.508  ?   ?   2642.76  188.646 0.000000 188.6463 
1 1 1   -5    9   42 o  3030.61  214.156  177.986   20.192   0.0000   0.0000  177.986   20.192  ?   ?   3030.61  214.156 0.000000 214.1556 
1 1 1   -5    9   44 o  2177.93  176.278   88.183   11.918   0.0000   0.0000   88.183   11.918  ?   ?   2177.93  176.278 0.000000 176.2781 
1 1 1   -5    9   46 o  1835.68  167.218   62.942   9.5062   0.0000   0.0000   62.942   9.5062  ?   ?   1835.68  167.218 0.000000 167.2178 
1 1 1   -5    9   48 f  1288.03  160.173   31.852   6.3205   0.0000   0.0000   31.852   6.3205  ?   ?   1288.03  160.173 0.000000 160.1727 
1 1 1   -5    9   50 o  2210.15  227.783  126.137   15.538   0.0000   0.0000  126.137   15.538  ?   ?   2210.15  227.783 0.000000 227.7835 
1 1 1   -5    9   54 o  1230.76  384.453  135.214   16.441   0.0000   0.0000  135.214   16.441  ?   ?   1230.76  384.453 0.000000 384.4534 
1 1 1   -5    9   56 o  1301.31  137.220   43.393   5.5070   48.067   7.6903   38.473   7.8897  983.303  249.396  674.979  261.567 308.3238 361.4077 
1 1 1   -5    9   58 o  574.930  242.585   40.059   7.4802   0.0000   0.0000   40.059   7.4802  ?   ?   574.930  242.585 0.000000 242.5850 
1 1 1   -5    9   60 o  393.339  195.632   59.264   9.4348   0.0000   0.0000   59.264   9.4348  ?   ?   393.339  195.632 0.000000 195.6323 
1 1 1   -5   10    1 o  3451.01  197.963  190.636   21.302  190.636   21.302   0.0000   0.0000  3451.01  197.963  ?   ?  0.000000 197.9627 
1 1 1   -5   10    5 o  1583.78  143.124   39.988   7.0211   39.988   7.0211   0.0000   0.0000  1583.78  143.124  ?   ?  0.000000 143.1243 
1 1 1   -5   10    7 o  2337.23  112.167   86.080   8.2088   90.533   11.613   81.632   11.605  2384.76  156.385  2261.81  164.999 122.9443 227.3341 
1 1 1   -5   10    9 o  485.177  105.438   3.8503   1.5561   3.2701   2.2425   4.3891   2.1610  455.971  141.913  517.276  132.753 -61.30453 194.3264 
1 1 1   -5   10   13 o  1809.62  147.576   52.311   8.2894   52.311   8.2894   0.0000   0.0000  1809.62  147.576  ?   ?  0.000000 147.5757 
1 1 1   -5   10   15 o  913.388  138.840   13.533   3.8458   0.0000   0.0000   13.533   3.8458  ?   ?   913.388  138.840 0.000000 138.8399 
1 1 1   -5   10   17 o  1211.78   96.620   23.324   3.6356   25.969   5.1243   20.642   5.1590  1271.97  130.509  1127.79  149.797 144.1747 198.6747 
1 1 1   -5   10   19 o  527.909  141.257   4.6152   2.3809   0.0000   0.0000   4.6152   2.3809  ?   ?   527.909  141.257 0.000000 141.2569 
1 1 1   -5   10   21 o  1767.90  103.445   49.839   5.7015   44.955   8.0651   54.717   8.0612  1659.04  157.124  1838.70  141.090 -179.6613 211.1741 
1 1 1   -5   10   23 o  1177.76  139.401   22.723   5.0412   0.0000   0.0000   22.723   5.0412  ?   ?   1177.76  139.401 0.000000 139.4014 
1 1 1   -5   10   25 o  570.745  148.335   5.5135   2.6753   0.0000   0.0000   5.5135   2.6753  ?   ?   570.745  148.335 0.000000 148.3348 
1 1 1   -5   10   27 f  1622.73  147.883   43.533   7.4317   0.0000   0.0000   43.533   7.4317  ?   ?   1622.73  147.883 0.000000 147.8829 
1 1 1   -5   10   29 f  2029.96  158.564   69.117   9.9988   0.0000   0.0000   69.117   9.9988  ?   ?   2029.96  158.564 0.000000 158.5636 
1 1 1   -5   10   33 o  1222.69  145.117   25.496   5.4474   0.0000   0.0000   25.496   5.4474  ?   ?   1222.69  145.117 0.000000 145.1165 
1 1 1   -5   10   37 o  3644.46  236.058  251.225   26.793   0.0000   0.0000  251.225   26.793  ?   ?   3644.46  236.058 0.000000 236.0582 
1 1 1   -5   10   39 o  1547.73  151.146   41.183   7.2315   0.0000   0.0000   41.183   7.2315  ?   ?   1547.73  151.146 0.000000 151.1460 
1 1 1   -5   10   41 o  762.657  155.963   10.391   3.5989   0.0000   0.0000   10.391   3.5989  ?   ?   762.657  155.963 0.000000 155.9630 
1 1 1   -5   10   43 o  1967.89  166.411   69.769   10.158   0.0000   0.0000   69.769   10.158  ?   ?   1967.89  166.411 0.000000 166.4113 
1 1 1   -5   10   45 o  942.411  158.639   16.239   4.5150   0.0000   0.0000   16.239   4.5150  ?   ?   942.411  158.639 0.000000 158.6389 
1 1 1   -5   10   47 o  317.651  134.827   0.6555   2.3328   0.0000   0.0000   0.6555   2.3328  ?   ?   317.651  134.827 0.000000 134.8273 
1 1 1   -5   10   49 o  907.620  172.275   17.139   4.7169   0.0000   0.0000   17.139   4.7169  ?   ?   907.620  172.275 0.000000 172.2747 
1 1 1   -5   10   53 o  672.559  200.499   14.474   4.5404   0.0000   0.0000   14.474   4.5404  ?   ?   672.559  200.499 0.000000 200.4992 
1 1 1   -5   10   55 o  755.133  229.208   25.283   5.8945   0.0000   0.0000   25.283   5.8945  ?   ?   755.133  229.208 0.000000 229.2076 
1 1 1   -5   10   57 f  435.664  184.078   11.503   4.3168   0.0000   0.0000   11.503   4.3168  ?   ?   435.664  184.078 0.000000 184.0783 
1 1 1   -5   10   59 o  1293.66  182.226   67.709   7.1770   66.683   10.030   68.787   10.274  492.660  234.825  485.280  233.010 7.380249 330.8119 
1 1 1   -5   11    2 o  643.430  100.592   6.6683   1.9603   7.5497   2.8071   5.8295   2.7387  679.374  136.693  595.359  147.634 84.01508 201.1985 
1 1 1   -5   11    4 o  3823.59  147.631  231.411   17.675  234.221   24.994  228.600   24.999  3820.25  209.743  3772.79  212.482 47.46069 298.5640 
1 1 1   -5   11   10 o  629.141  144.409   6.5198   2.7846   6.5198   2.7846   0.0000   0.0000  629.141  144.409  ?   ?  0.000000 144.4089 
1 1 1   -5   11   12 o  1456.61  141.777   33.961   6.3845   33.961   6.3845   0.0000   0.0000  1456.61  141.777  ?   ?  0.000000 141.7774 
1 1 1   -5   11   14 o  1014.93  140.125   16.663   4.3344   16.663   4.3344   0.0000   0.0000  1014.93  140.125  ?   ?  0.000000 140.1251 
1 1 1   -5   11   18 o  2582.31  170.962  108.332   13.745   0.0000   0.0000  108.332   13.745  ?   ?   2582.31  170.962 0.000000 170.9615 
1 1 1   -5   11   20 o  854.111  141.407   12.024   3.6495   12.024   3.6495   0.0000   0.0000  854.111  141.407  ?   ?  0.000000 141.4072 
1 1 1   -5   11   22 o  522.919  111.882   4.5281   1.7766   4.9834   2.5378   4.0905   2.4878  545.285  145.808  498.281  148.384 47.00381 208.0333 
1 1 1   -5   11   24 o  996.689  142.644   16.411   4.3248   16.411   4.3248   0.0000   0.0000  996.689  142.644  ?   ?  0.000000 142.6437 
1 1 1   -5   11   26 o  1180.92   98.017   22.409   3.5917   19.374   4.9973   25.652   5.1656  1077.90  152.304  1250.74  133.982 -172.8467 202.8491 
1 1 1   -5   11   28 o  1690.96  103.836   46.103   5.4713   45.358   7.7284   46.852   7.7468  1650.87  151.186  1679.53  148.847 -28.65735 212.1617 
1 1 1   -5   11   30 o  1056.37   99.747   18.133   3.2603   18.927   4.5863   17.322   4.6357  1060.63  141.635  1009.12  151.379 51.50616 207.3061 
1 1 1   -5   11   32 o  329.311  130.433   1.1022   1.9983   0.0000   0.0000   1.1022   1.9983  ?   ?   329.311  130.433 0.000000 130.4327 
1 1 1   -5   11   34 o  976.826  147.621   16.306   4.3744   0.0000   0.0000   16.306   4.3744  ?   ?   976.826  147.621 0.000000 147.6214 
1 1 1   -5   11   36 o  2241.04  168.505   86.363   11.738   0.0000   0.0000   86.363   11.738  ?   ?   2241.04  168.505 0.000000 168.5052 
1 1 1   -5   11   38 o  2138.17  165.543   78.878   10.997   0.0000   0.0000   78.878   10.997  ?   ?   2138.17  165.543 0.000000 165.5433 
1 1 1   -5   11   40 o  2226.06  171.110   87.195   11.836   0.0000   0.0000   87.195   11.836  ?   ?   2226.06  171.110 0.000000 171.1100 
1 1 1   -5   11   42 o  1278.66  151.646   28.617   5.9532   0.0000   0.0000   28.617   5.9532  ?   ?   1278.66  151.646 0.000000 151.6457 
1 1 1   -5   11   44 o  392.263  148.342   2.2346   2.4963   0.0000   0.0000   2.2346   2.4963  ?   ?   392.263  148.342 0.000000 148.3419 
1 1 1   -5   11   46 o  645.222  171.954   8.0431   3.5370   0.0000   0.0000   8.0431   3.5370  ?   ?   645.222  171.954 0.000000 171.9540 
1 1 1   -5   11   48 o  2134.29  192.259   95.579   12.711   0.0000   0.0000   95.579   12.711  ?   ?   2134.29  192.259 0.000000 192.2593 
1 1 1   -5   11   52 o  625.128  194.288   11.464   4.2048   0.0000   0.0000   11.464   4.2048  ?   ?   625.128  194.288 0.000000 194.2885 
1 1 1   -5   11   54 o  1336.10  338.169  109.963   14.160   0.0000   0.0000  109.963   14.160  ?   ?   1336.10  338.169 0.000000 338.1694 
1 1 1   -5   11   56 o  767.363  250.415   33.843   6.9160   0.0000   0.0000   33.843   6.9160  ?   ?   767.363  250.415 0.000000 250.4152 
1 1 1   -5   11   58 o  555.542  265.239   95.440   12.908   0.0000   0.0000   95.440   12.908  ?   ?   555.542  265.239 0.000000 265.2386 
1 1 1   -5   12    1 o  1353.89   97.928   28.993   4.1235   26.157   5.8273   31.838   5.8358  1276.76  148.538  1413.22  133.458 -136.4606 199.6857 
1 1 1   -5   12    3 o  5261.57  187.649  441.625   30.916  428.569   43.712  454.694   43.731  5123.68  273.446  5291.01  263.956 -167.3271 380.0599 
1 1 1   -5   12    5 o  2581.08  117.699  105.100   9.5124  108.801   13.453  101.399   13.452  2611.51  165.369  2518.95  171.575 92.56299 238.2961 
1 1 1   -5   12    7 f  2211.18  110.204   77.090   7.6303   77.621   10.789   76.559   10.793  2205.44  157.259  2189.90  158.468 15.53516 223.2544 
1 1 1   -5   12    9 o  2302.58  160.869   84.754   11.526   0.0000   0.0000   84.754   11.526  ?   ?   2302.58  160.869 0.000000 160.8689 
1 1 1   -5   12   11 o  4083.41  224.298  271.164   28.569  271.164   28.569   0.0000   0.0000  4083.41  224.298  ?   ?  0.000000 224.2981 
1 1 1   -5   12   13 o  1091.56  140.132   19.253   4.6790   19.253   4.6790   0.0000   0.0000  1091.56  140.132  ?   ?  0.000000 140.1319 
1 1 1   -5   12   15 o  2706.47  174.577  118.585   14.716  118.585   14.716   0.0000   0.0000  2706.47  174.577  ?   ?  0.000000 174.5771 
1 1 1   -5   12   21 o  1512.16  144.562   37.235   6.7615   37.235   6.7615   0.0000   0.0000  1512.16  144.562  ?   ?  0.000000 144.5621 
1 1 1   -5   12   23 o  975.022  101.427   15.295   3.0513   16.078   4.2128   14.430   4.4254  988.464  140.027  929.548  157.676 58.91577 210.8774 
1 1 1   -5   12   25 o  2514.23  115.880  101.519   9.1228   88.353   12.853  114.886   12.951  2299.47  179.942  2642.92  157.204 -343.4431 238.9402 
1 1 1   -5   12   27 o  743.764  110.628   9.0779   2.4980   10.458   3.4005   7.4601   3.6815  788.515  142.993  655.935  175.711 132.5799 226.5424 
1 1 1   -5   12   29 o  1014.85  147.185   17.361   4.5407   17.361   4.5407   0.0000   0.0000  1014.85  147.185  ?   ?  0.000000 147.1846 
1 1 1   -5   12   31 o  1691.76  152.323   48.209   7.9825   48.209   7.9825   0.0000   0.0000  1691.76  152.323  ?   ?  0.000000 152.3233 
1 1 1   -5   12   33 o  1761.88  105.114   50.354   5.7726   45.454   8.1114   55.382   8.2171  1636.54  160.349  1819.82  145.417 -183.2739 216.4663 
1 1 1   -5   12   35 o  1142.06  147.740   22.013   5.1595   22.013   5.1595   0.0000   0.0000  1142.06  147.740  ?   ?  0.000000 147.7404 
1 1 1   -5   12   37 o  778.467  110.187   10.022   2.6109   10.541   3.6381   9.4715   3.7490  780.354  154.359  733.410  166.992 46.94354 227.4049 
1 1 1   -5   12   39 o  1445.87  151.777   35.754   6.7690   35.754   6.7690   0.0000   0.0000  1445.87  151.777  ?   ?  0.000000 151.7767 
1 1 1   -5   12   41 o  729.174  116.328   8.9703   2.5668   6.1241   3.6129   11.871   3.6473  581.227  180.005  825.395  146.485 -244.1688 232.0768 
1 1 1   -5   12   43 o  1722.38  160.649   52.345   8.5641   0.0000   0.0000   52.345   8.5641  ?   ?   1722.38  160.649 0.000000 160.6487 
1 1 1   -5   12   45 o  808.002  170.684   12.201   4.1830   0.0000   0.0000   12.201   4.1830  ?   ?   808.002  170.684 0.000000 170.6839 
1 1 1   -5   12   47 o  1019.48  168.918   20.134   5.2035   0.0000   0.0000   20.134   5.2035  ?   ?   1019.48  168.918 0.000000 168.9181 
1 1 1   -5   12   49 o  656.916  189.191   10.065   4.1030   0.0000   0.0000   10.065   4.1030  ?   ?   656.916  189.191 0.000000 189.1915 
1 1 1   -5   12   53 o  1157.72  229.170   43.998   8.0136   0.0000   0.0000   43.998   8.0136  ?   ?   1157.72  229.170 0.000000 229.1702 
1 1 1   -5   12   55 o  335.321  153.749   3.3135   3.6581   0.0000   0.0000   3.3135   3.6581  ?   ?   335.321  153.749 0.000000 153.7486 
1 1 1   -5   12   57 o  ?   ?   -2.7563   13.005  -2.7563   13.005   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -5   13    2 o  940.313   97.933   14.074   2.8412   13.045   4.0032   15.118   4.0331  895.383  147.953  967.788  136.908 -72.40454 201.5785 
1 1 1   -5   13    4 o  2281.84  111.902   82.169   7.9954   85.694   11.312   78.651   11.302  2316.39  156.888  2216.68  163.997 99.70947 226.9556 
1 1 1   -5   13    6 o  912.125  142.539   13.505   3.9378   0.0000   0.0000   13.505   3.9378  ?   ?   912.125  142.539 0.000000 142.5388 
1 1 1   -5   13    8 o  1332.68  140.875   28.504   5.7896   0.0000   0.0000   28.504   5.7896  ?   ?   1332.68  140.875 0.000000 140.8752 
1 1 1   -5   13   10 o  310.069  125.918   0.6217   1.9110   0.6217   1.9110   0.0000   0.0000  310.069  125.918  ?   ?  0.000000 125.9184 
1 1 1   -5   13   12 o  3315.11  135.549  174.939   14.071  183.643   19.902  166.240   19.896  3365.40  189.632  3195.41  199.851 169.9905 275.5010 
1 1 1   -5   13   14 o  1046.65  139.515   17.784   4.4585   0.0000   0.0000   17.784   4.4585  ?   ?   1046.65  139.515 0.000000 139.5150 
1 1 1   -5   13   16 o  2873.07  124.964  131.600   11.242  138.941   15.909  124.278   15.889  2922.57  174.641  2757.14  185.116 165.4255 254.4940 
1 1 1   -5   13   22 o  1601.95  146.925   41.847   7.2878   41.847   7.2878   0.0000   0.0000  1601.95  146.925  ?   ?  0.000000 146.9250 
1 1 1   -5   13   24 o  727.458  149.103   8.9006   3.2822   8.9006   3.2822   0.0000   0.0000  727.458  149.103  ?   ?  0.000000 149.1030 
1 1 1   -5   13   26 o  2143.60  112.001   74.061   7.4916   72.678   10.551   75.468   10.639  2090.92  162.429  2132.30  160.518 -41.37622 228.3624 
1 1 1   -5   13   28 o  1365.29  102.887   30.105   4.3662   29.424   6.0726   30.834   6.2821  1328.14  148.566  1359.02  150.133 -30.87793 211.2148 
1 1 1   -5   13   30 o  2022.41  160.181   68.683   10.061   68.683   10.061   0.0000   0.0000  2022.41  160.181  ?   ?  0.000000 160.1809 
1 1 1   -5   13   32 o  562.015  125.638   5.3333   2.1554   5.5100   2.9227   5.1227   3.1915  566.271  158.547  548.983  169.043 17.28809 231.7602 
1 1 1   -5   13   34 f  748.550  157.143   9.6321   3.5659   9.6321   3.5659   0.0000   0.0000  748.550  157.143  ?   ?  0.000000 157.1431 
1 1 1   -5   13   36 o  2103.97  163.211   74.842   10.668   74.842   10.668   0.0000   0.0000  2103.97  163.211  ?   ?  0.000000 163.2108 
1 1 1   -5   13   38 o  1315.72  105.652   28.239   4.3160   34.007   6.0415   22.226   6.1680  1425.87  137.003  1123.41  181.533 302.4551 227.4291 
1 1 1   -5   13   40 o  3635.53  150.841  224.229   17.171  205.352   24.259  243.184   24.309  3294.66  236.729  3643.12  214.035 -348.4673 319.1417 
1 1 1   -5   13   42 o  1238.12  154.262   26.631   5.8508   26.631   5.8508   0.0000   0.0000  1238.12  154.262  ?   ?  0.000000 154.2621 
1 1 1   -5   13   44 o  1675.74  108.969   46.731   5.6867   45.370   7.9400   48.165   8.1485  1597.08  160.967  1646.92  160.033 -49.84070 226.9823 
1 1 1   -5   13   46 o  1076.36  111.953   19.859   3.7180   18.938   5.0935   20.909   5.4397  999.661  168.728  1048.01  171.712 -48.35040 240.7363 
1 1 1   -5   13   48 o  2325.90  212.262  123.421   15.289  123.421   15.289   0.0000   0.0000  2325.90  212.262  ?   ?  0.000000 212.2623 
1 1 1   -5   13   50 o  643.699  134.782   8.2998   2.6295   6.2110   3.3689   11.556   4.2064  507.466  174.878  684.222  189.721 -176.7563 258.0240 
1 1 1   -5   13   52 o  1494.62  232.509   68.867   10.528   0.0000   0.0000   68.867   10.528  ?   ?   1494.62  232.509 0.000000 232.5090 
1 1 1   -5   13   54 o  321.426  149.615   1.7199   3.6596   0.0000   0.0000   1.7199   3.6596  ?   ?   321.426  149.615 0.000000 149.6154 
1 1 1   -5   13   56 o  340.114  158.853   4.5075   4.1816   0.0000   0.0000   4.5075   4.1816  ?   ?   340.114  158.853 0.000000 158.8532 
1 1 1   -5   14    1 o  2404.70  114.419   91.423   8.6154   85.848   12.163   97.037   12.205  2311.15  169.250  2461.43  159.211 -150.2788 232.3651 
1 1 1   -5   14    3 o  2159.57  110.746   73.880   7.4636   77.164   10.542   70.579   10.569  2195.28  154.338  2096.58  162.252 98.70264 223.9324 
1 1 1   -5   14    5 o  2314.33  113.053   84.692   8.1927   90.238   11.580   79.134   11.593  2373.28  156.704  2217.93  168.176 155.3433 229.8683 
1 1 1   -5   14    7 o  1615.49  101.819   41.366   5.1242   41.604   7.2468   41.128   7.2466  1610.05  145.310  1600.50  146.212 9.546143 206.1378 
1 1 1   -5   14    9 o  1054.41  141.932   18.015   4.5670   18.015   4.5670   0.0000   0.0000  1054.41  141.932  ?   ?  0.000000 141.9324 
1 1 1   -5   14   11 o  1758.81  148.654   49.787   8.1101   0.0000   0.0000   49.787   8.1101  ?   ?   1758.81  148.654 0.000000 148.6543 
1 1 1   -5   14   13 o  691.125  146.542   7.9218   3.0729   0.0000   0.0000   7.9218   3.0729  ?   ?   691.125  146.542 0.000000 146.5419 
1 1 1   -5   14   15 o  1034.54  145.665   17.467   4.5880   17.467   4.5880   0.0000   0.0000  1034.54  145.665  ?   ?  0.000000 145.6652 
1 1 1   -5   14   17 o  2805.28  123.187  125.465   10.821  135.038   15.325  115.947   15.281  2882.17  170.568  2661.62  184.491 220.5417 251.2581 
1 1 1   -5   14   19 o  897.768  144.246   13.261   3.9176   0.0000   0.0000   13.261   3.9176  ?   ?   897.768  144.246 0.000000 144.2463 
1 1 1   -5   14   21 o  1634.41  148.285   43.498   7.5062   43.498   7.5062   0.0000   0.0000  1634.41  148.285  ?   ?  0.000000 148.2854 
1 1 1   -5   14   23 o  1595.76  153.785   41.809   7.5891   0.0000   0.0000   41.809   7.5891  ?   ?   1595.76  153.785 0.000000 153.7854 
1 1 1   -5   14   25 o  1607.12  149.134   42.551   7.4193   42.551   7.4193   0.0000   0.0000  1607.12  149.134  ?   ?  0.000000 149.1337 
1 1 1   -5   14   27 o  2143.07  162.729   76.496   10.838   76.496   10.838   0.0000   0.0000  2143.07  162.729  ?   ?  0.000000 162.7288 
1 1 1   -5   14   29 o  469.087  156.123   3.5073   2.6833   3.5073   2.6833   0.0000   0.0000  469.087  156.123  ?   ?  0.000000 156.1226 
1 1 1   -5   14   33 o  1129.85  107.027   20.675   3.7413   27.137   5.2060   13.772   5.3804  1285.75  131.146  883.848  199.180 401.9003 238.4781 
1 1 1   -5   14   37 o  1731.32  155.302   50.474   8.3297   50.474   8.3297   0.0000   0.0000  1731.32  155.302  ?   ?  0.000000 155.3024 
1 1 1   -5   14   39 o  1040.30  152.999   18.514   4.8350   18.514   4.8350   0.0000   0.0000  1040.30  152.999  ?   ?  0.000000 152.9986 
1 1 1   -5   14   41 o  2670.88  187.371  126.261   15.571  126.261   15.571   0.0000   0.0000  2670.88  187.371  ?   ?  0.000000 187.3709 
1 1 1   -5   14   43 o  1727.28  160.357   52.279   8.5740   52.279   8.5740   0.0000   0.0000  1727.28  160.357  ?   ?  0.000000 160.3572 
1 1 1   -5   14   45 o  1297.31  112.413   28.530   4.5213   28.805   6.1418   28.204   6.6802  1257.31  159.600  1221.85  179.997 35.45386 240.5636 
1 1 1   -5   14   47 o  485.296  149.634   4.5582   2.4997   3.6431   3.1674   6.0694   4.0703  443.987  167.290  533.265  191.509 -89.27795 254.2865 
1 1 1   -5   14   49 o  871.425  134.187   14.631   3.5440   19.012   4.7034   8.8764   5.3905  954.708  163.197  562.032  216.650 392.6758 271.2385 
1 1 1   -5   14   51 o  1751.71  213.757   82.613   11.481   82.613   11.481   0.0000   0.0000  1751.71  213.757  ?   ?  0.000000 213.7565 
1 1 1   -5   14   53 o  935.016  138.335   19.077   3.9279   20.728   5.0474   16.542   6.2545  870.140  190.530  603.973  233.212 266.1669 301.1471 
1 1 1   -5   14   55 f  895.398  236.313   32.059   6.7223   31.940   14.863   32.089   7.5372  ?   ?   758.878  261.570 0.000000 261.5702 
1 1 1   -5   14   57 o  627.860  199.543   16.712   4.4111   16.712   4.4111   0.0000   0.0000  627.860  199.543  ?   ?  0.000000 199.5429 
1 1 1   -5   15    2 o  2495.68  113.871   98.576   8.8986  114.819   12.709   82.956   12.463  2678.07  152.186  2265.84  177.074 412.2349 233.4863 
1 1 1   -5   15    4 o  701.859  107.226   7.9613   2.2817   9.9674   3.2065   5.9035   3.2476  780.964  136.071  598.220  166.996 182.7441 215.4136 
1 1 1   -5   15    6 o  2132.54  110.486   72.148   7.3524   75.808   10.390   68.477   10.406  2172.99  153.695  2061.68  162.503 111.3110 223.6726 
1 1 1   -5   15    8 o  734.029  151.695   8.9147   3.3713   8.9147   3.3713   0.0000   0.0000  734.029  151.695  ?   ?  0.000000 151.6953 
1 1 1   -5   15   10 o  581.017  111.479   5.5223   1.9544   6.9539   2.7734   4.1102   2.7545  648.293  140.667  506.876  157.205 141.4170 210.9514 
1 1 1   -5   15   12 o  1008.02   98.916   16.213   3.0819   18.289   4.4375   14.278   4.2836  1062.79  136.499  933.135  151.824 129.6531 204.1626 
1 1 1   -5   15   14 o  1188.55   98.181   22.489   3.6212   25.317   5.1929   19.813   5.0524  1252.94  134.464  1102.48  150.270 150.4656 201.6474 
1 1 1   -5   15   16 o  427.499  140.814   2.8095   2.1850   0.0000   0.0000   2.8095   2.1850  ?   ?   427.499  140.814 0.000000 140.8142 
1 1 1   -5   15   18 o  1454.81  144.727   34.312   6.5053   0.0000   0.0000   34.312   6.5053  ?   ?   1454.81  144.727 0.000000 144.7265 
1 1 1   -5   15   20 o  946.234  104.348   14.398   3.0403   12.937   4.2217   15.972   4.3821  881.248  158.837  985.468  146.464 -104.2197 216.0578 
1 1 1   -5   15   22 o  746.109  171.916   9.4719   3.9338   0.0000   0.0000   9.4719   3.9338  ?   ?   746.109  171.916 0.000000 171.9163 
1 1 1   -5   15   24 o  625.233  124.284   6.4997   2.3475   4.7613   3.0417   9.0599   3.6915  536.247  165.014  729.201  165.465 -192.9536 233.6846 
1 1 1   -5   15   26 o  975.276  151.477   15.868   4.4758   15.868   4.4758   0.0000   0.0000  975.276  151.477  ?   ?  0.000000 151.4772 
1 1 1   -5   15   28 o  1766.48  107.959   50.129   5.9429   50.405   8.3033   49.839   8.5095  1749.26  153.136  1736.48  158.238 12.78345 220.2039 
1 1 1   -5   15   30 o  1199.26  150.699   23.804   5.5340   23.804   5.5340   0.0000   0.0000  1199.26  150.699  ?   ?  0.000000 150.6988 
1 1 1   -5   15   32 o  1815.47  155.665   54.432   8.7635   54.432   8.7635   0.0000   0.0000  1815.47  155.665  ?   ?  0.000000 155.6654 
1 1 1   -5   15   34 o  2073.44  162.378   71.597   10.458   71.597   10.458   0.0000   0.0000  2073.44  162.378  ?   ?  0.000000 162.3777 
1 1 1   -5   15   36 o  1456.09  152.037   35.436   6.8297   35.436   6.8297   0.0000   0.0000  1456.09  152.037  ?   ?  0.000000 152.0372 
1 1 1   -5   15   40 o  2767.93  189.595  134.041   16.333  134.041   16.333   0.0000   0.0000  2767.93  189.595  ?   ?  0.000000 189.5952 
1 1 1   -5   15   42 o  468.510  165.201   3.5505   3.0155   3.5505   3.0155   0.0000   0.0000  468.510  165.201  ?   ?  0.000000 165.2007 
1 1 1   -5   15   44 o  1076.71  136.926   20.194   4.5120   20.194   4.5120   0.0000   0.0000  1076.71  136.926  ?   ?  0.000000 136.9259 
1 1 1   -5   15   46 o  965.651  174.176   18.249   5.0728   18.249   5.0728   0.0000   0.0000  965.651  174.176  ?   ?  0.000000 174.1758 
1 1 1   -5   15   48 o  919.365  181.260   18.010   5.0326   18.010   5.0326   0.0000   0.0000  919.365  181.260  ?   ?  0.000000 181.2602 
1 1 1   -5   15   50 o  946.830  121.635   17.015   3.5228   20.571   4.3778   10.481   5.9338  1011.32  142.171  568.644  224.911 442.6790 266.0779 
1 1 1   -5   15   52 o  473.262  175.110   6.0491   3.4397   6.0491   3.4397   0.0000   0.0000  473.262  175.110  ?   ?  0.000000 175.1102 
1 1 1   -5   15   54 o  451.484  227.415   31.704   14.812   31.704   14.812   0.0000   0.0000  451.484  227.415  ?   ?  0.000000 227.4155 
1 1 1   -5   15   56 o  779.732  152.706   15.871   3.5950   15.992   4.3282   15.601   6.4555  674.230  194.353  459.634  208.227 214.5961 284.8358 
1 1 1   -5   16    1 o  1905.56  108.710   57.592   6.4596   68.676   9.5264   48.158   8.7887  2070.59  147.906  1727.15  164.495 343.4368 221.2125 
1 1 1   -5   16    3 o  3102.66  189.653  155.783   18.337   0.0000   0.0000  155.783   18.337  ?   ?   3102.66  189.653 0.000000 189.6529 
1 1 1   -5   16    5 o  2258.07  109.400   80.642   7.7352   97.316   11.051   64.630   10.830  2467.61  143.651  1998.92  174.791 468.6952 226.2469 
1 1 1   -5   16    7 o  1877.74  114.108   56.027   6.6774   56.027   6.6774   0.0000   0.0000  1877.74  114.108  ?   ?  0.000000 114.1083 
1 1 1   -5   16    9 o  383.724  125.251   2.2550   1.7301   3.6722   2.6008   1.1300   2.3172  482.720  153.202  355.498  140.568 127.2212 207.9184 
1 1 1   -5   16   11 o  2100.49  110.173   70.055   7.2209   75.815   10.208   64.286   10.216  2172.32  151.013  1994.47  165.062 177.8435 223.7190 
1 1 1   -5   16   13 o  875.707  103.747   12.300   2.7895   12.398   3.9780   12.205   3.9126  868.029  151.891  861.433  150.535 6.596558 213.8490 
1 1 1   -5   16   15 o  1018.72  145.670   16.935   4.5144   0.0000   0.0000   16.935   4.5144  ?   ?   1018.72  145.670 0.000000 145.6703 
1 1 1   -5   16   17 o  1197.73  100.158   22.886   3.7218   25.096   5.3363   20.792   5.1935  1244.30  139.355  1127.81  150.844 116.4906 205.3622 
1 1 1   -5   16   19 o  1712.99  105.557   46.813   5.6343   45.692   7.9264   47.958   8.0104  1675.38  152.772  1717.69  150.451 -42.30212 214.4172 
1 1 1   -5   16   21 o  622.172  121.860   6.4002   2.2891   1.8620   3.2222   11.024   3.2526  424.159  166.380  818.973  131.270 -394.8141 211.9290 
1 1 1   -5   16   23 o  607.156  170.783   6.2236   3.3831   0.0000   0.0000   6.2236   3.3831  ?   ?   607.156  170.783 0.000000 170.7835 
1 1 1   -5   16   25 o  870.481  169.163   12.794   4.4448   0.0000   0.0000   12.794   4.4448  ?   ?   870.481  169.163 0.000000 169.1635 
1 1 1   -5   16   27 o  1479.66  154.336   35.928   7.0454   0.0000   0.0000   35.928   7.0454  ?   ?   1479.66  154.336 0.000000 154.3363 
1 1 1   -5   16   29 o  1777.82  109.267   50.630   6.0532   51.570   8.5032   49.665   8.6190  1774.54  154.575  1738.48  160.133 36.06116 222.5666 
1 1 1   -5   16   31 o  1745.82  155.843   50.091   8.4297   50.091   8.4297   0.0000   0.0000  1745.82  155.843  ?   ?  0.000000 155.8429 
1 1 1   -5   16   33 o  2810.46  126.764  127.577   11.156  124.871   15.680  130.352   15.874  2729.06  184.580  2790.39  182.690 -61.32959 259.7028 
1 1 1   -5   16   35 o  1193.44  168.803   24.074   6.1321   0.0000   0.0000   24.074   6.1321  ?   ?   1193.44  168.803 0.000000 168.8035 
1 1 1   -5   16   37 o  2456.02  121.567   97.884   9.3490   97.884   9.3490   0.0000   0.0000  2456.02  121.567  ?   ?  0.000000 121.5675 
1 1 1   -5   16   39 o  2181.86  125.398   78.020   8.5311   78.020   8.5311   0.0000   0.0000  2181.86  125.398  ?   ?  0.000000 125.3981 
1 1 1   -5   16   41 o  1020.30  165.662   18.164   5.1111   18.164   5.1111   0.0000   0.0000  1020.30  165.662  ?   ?  0.000000 165.6619 
1 1 1   -5   16   43 o  1636.82  162.985   47.594   8.2423   47.594   8.2423   0.0000   0.0000  1636.82  162.985  ?   ?  0.000000 162.9848 
1 1 1   -5   16   45 o  404.041  161.508   2.2661   3.0904   2.2661   3.0904   0.0000   0.0000  404.041  161.508  ?   ?  0.000000 161.5081 
1 1 1   -5   16   47 o  1208.13  148.477   27.672   5.4986   27.672   5.4986   0.0000   0.0000  1208.13  148.477  ?   ?  0.000000 148.4772 
1 1 1   -5   16   49 o  1004.71  159.729   20.704   4.8569   20.704   4.8569   0.0000   0.0000  1004.71  159.729  ?   ?  0.000000 159.7288 
1 1 1   -5   16   51 o  458.062  174.845   5.1793   3.4883   5.1793   3.4883   0.0000   0.0000  458.062  174.845  ?   ?  0.000000 174.8446 
1 1 1   -5   16   53 o  436.432  195.152   6.7193   5.4658 -20.1220   14.080   11.482   5.9309  ?   ?   520.602  217.611 0.000000 217.6111 
1 1 1   -5   16   55 o  997.174  181.832   27.893   5.4683   27.893   5.4683   0.0000   0.0000  997.174  181.832  ?   ?  0.000000 181.8317 
1 1 1   -5   17    2 o  1172.26  110.207   21.914   3.9978   26.948   5.7461   17.191   5.5658  1293.36  144.346  1020.27  180.839 273.1003 231.3843 
1 1 1   -5   17    4 o  1274.96  110.450   25.893   4.3658   36.824   6.8137   18.279   5.6865  1513.82  145.539  1053.20  178.826 460.6173 230.5649 
1 1 1   -5   17    6 o  756.236  138.107   9.3700   3.1498   9.5028   5.5776   9.3078   3.8166  755.555  221.450  748.097  167.144 7.457764 277.4480 
1 1 1   -5   17    8 o  1274.34  102.165   25.818   4.0424   41.766   6.7507   16.902   5.0473  1615.15  134.709  1015.02  164.432 600.1255 212.5659 
1 1 1   -5   17   10 o  1268.66   91.313   25.521   3.6031   27.340   4.7495   23.056   5.5303  1308.13  117.194  1191.96  151.605 116.1674 191.6207 
1 1 1   -5   17   12 o  323.202  123.462   1.1513   1.7401  -3.1602   2.8388   3.7466   2.2025  270.963  127.904  479.436  138.769 -208.4731 188.7227 
1 1 1   -5   17   14 o  936.344  118.882   14.148   3.4070   18.905   6.4190   12.282   4.0200  1060.53  200.647  862.531  154.518 197.9958 253.2491 
1 1 1   -5   17   16 o  697.279  139.320   8.0483   2.9354   7.3371   6.0778   8.2646   3.3523  683.755  234.932  703.284  156.286 -19.52881 282.1671 
1 1 1   -5   17   18 o  642.460  148.755   6.9011   2.9335   6.9011   2.9335   0.0000   0.0000  642.460  148.755  ?   ?  0.000000 148.7547 
1 1 1   -5   17   20 o  483.833  161.221   3.6276   2.8612   1.2875   6.1697   4.2687   3.2294  525.796  221.000  520.458  171.180 5.338928 279.5417 
1 1 1   -5   17   22 o  497.188  132.054   4.1036   2.0906   3.0432   2.8081   5.4221   3.1312  456.002  159.516  571.043  165.511 -115.0412 229.8680 
1 1 1   -5   17   24 o  641.366  158.559   6.9149   3.1663   8.9256   7.0181   6.4010   3.5479  740.266  252.490  617.962  175.268 122.3046 307.3602 
1 1 1   -5   17   26 o  1489.50   95.471   35.303   4.4293   33.326   5.7268   38.248   6.9876  1437.57  128.581  1534.14  147.271 -96.56738 195.5045 
1 1 1   -5   17   28 o  782.619  115.028   9.9644   2.7347   11.008   3.7330   8.7559   4.0177  813.203  152.197  718.016  179.254 95.18762 235.1509 
1 1 1   -5   17   30 o  328.810  132.321   0.8478   2.0897   1.1164   2.7971   0.5086   3.1436  378.023  152.751  376.258  157.928 1.766022 219.7135 
1 1 1   -5   17   32 o  1140.44  114.167   21.016   4.0222   22.991   5.5834   18.886   5.7991  1178.62  155.054  1055.80  181.983 122.8147 239.0804 
1 1 1   -5   17   34 o  515.853  182.817   4.0057   3.6974   2.6446   8.1186   4.3619   4.1532  603.218  253.526  539.734  193.490 63.48322 318.9261 
1 1 1   -5   17   36 o  1941.48  121.566   61.095   7.3531   61.095   7.3531   0.0000   0.0000  1941.48  121.566  ?   ?  0.000000 121.5660 
1 1 1   -5   17   38 o  1667.12  159.390   46.566   8.2190   46.566   8.2190   0.0000   0.0000  1667.12  159.390  ?   ?  0.000000 159.3897 
1 1 1   -5   17   40 o  2883.72  199.263  146.692   17.882   0.0000   0.0000  146.692   17.882  ?   ?   2883.72  199.263 0.000000 199.2633 
1 1 1   -5   17   42 o  1136.65  111.848   21.500   3.9293   19.953   4.9184   24.230   6.5328  1069.55  151.066  1150.22  187.871 -80.67224 241.0735 
1 1 1   -5   17   44 o  1283.65  140.684   29.120   5.5620   29.120   5.5620   0.0000   0.0000  1283.65  140.684  ?   ?  0.000000 140.6839 
1 1 1   -5   17   46 o  1292.42  153.548   31.308   6.0923   31.308   6.0923   0.0000   0.0000  1292.42  153.548  ?   ?  0.000000 153.5477 
1 1 1   -5   17   48 o  704.687  182.719   10.794   4.0655   10.794   4.0655   0.0000   0.0000  704.687  182.719  ?   ?  0.000000 182.7191 
1 1 1   -5   17   50 o  473.898  177.272   5.2181   3.5442   5.2181   3.5442   0.0000   0.0000  473.898  177.272  ?   ?  0.000000 177.2717 
1 1 1   -5   17   52 o  603.235  289.084   41.696   15.645   41.696   15.645   0.0000   0.0000  603.235  289.084  ?   ?  0.000000 289.0838 
1 1 1   -5   17   54 o  383.724  163.219   3.9188   3.4316   3.9188   3.4316   0.0000   0.0000  383.724  163.219  ?   ?  0.000000 163.2195 
1 1 1   -5   18    1 o  779.854  127.963   9.8935   3.0163   9.4398   3.6887   10.809   5.2402  754.641  161.014  801.779  207.225 -47.13776 262.4259 
1 1 1   -5   18    3 o  1544.86   90.266   37.746   4.3475   44.571   5.4931   26.305   7.1124  1676.29  105.186  1266.08  184.856 410.2084 212.6869 
1 1 1   -5   18    5 o  1639.08   90.867   42.486   4.6454   45.162   5.8651   37.981   7.6096  1685.85  111.739  1532.80  160.951 153.0503 195.9357 
1 1 1   -5   18    7 o  1127.34   95.709   20.200   3.3466   21.961   4.3337   17.598   5.2672  1171.04  119.877  1034.95  168.316 136.0830 206.6418 
1 1 1   -5   18    9 o  887.653  129.924   12.781   3.5043   16.188   6.1498   11.144   4.2643  980.479  206.818  817.962  171.953 162.5177 268.9639 
1 1 1   -5   18   11 o  335.014  133.764   0.9194   2.1173   1.3005   5.8001   0.8608   2.2742  517.387  215.640  341.992  137.895 175.3950 255.9608 
1 1 1   -5   18   13 o  ?   ?   -5.0859   0.9895   2.1874   5.0935  -5.3712   1.0087  511.993  206.393  ?   ?  0.000000 206.3929 
1 1 1   -5   18   15 o  1139.08  215.648   21.959   7.4099   21.959   7.4099   0.0000   0.0000  1139.08  215.648  ?   ?  0.000000 215.6475 
1 1 1   -5   18   17 o  732.690  149.352   8.9128   3.3103   9.9320   6.4952   8.5552   3.8474  770.209  241.817  713.271  173.850 56.93781 297.8242 
1 1 1   -5   18   19 o  813.263  151.000   10.941   3.7037   13.666   6.7388   9.7620   4.4333  889.983  237.426  759.896  187.476 130.0867 302.5200 
1 1 1   -5   18   21 o  718.791  118.812   8.4247   2.5807   10.447   3.2700   5.0848   4.2022  798.191  135.691  575.193  195.382 222.9984 237.8781 
1 1 1   -5   18   23 f  1942.63  117.950   60.216   7.1407   65.056   11.107   56.806   9.3227  1995.38  179.696  1871.60  160.636 123.7847 241.0279 
1 1 1   -5   18   25 o  1128.95  136.365   20.658   4.7229   11.705   8.3156   24.921   5.7382  835.724  274.679  1236.91  151.310 -401.1905 313.5974 
1 1 1   -5   18   27 f  1179.21  130.804   22.486   4.7484   26.691   9.0783   20.902   5.5713  1243.83  241.800  1126.70  162.626 117.1323 291.4008 
1 1 1   -5   18   29 o  1585.26  123.906   40.403   6.1016   40.793   10.151   40.183   7.6347  1554.09  214.301  1568.41  157.590 -14.31836 266.0062 
1 1 1   -5   18   31 o  1987.63   92.026   62.653   5.7275   68.363   7.3173   53.621   9.2028  2066.44  113.522  1807.18  164.430 259.2585 199.8110 
1 1 1   -5   18   33 o  2793.49  126.749  125.482   11.087  128.580   15.711  122.408   15.648  2784.90  181.149  2713.56  185.270 71.34619 259.1139 
1 1 1   -5   18   35 o  1170.97  114.734   22.185   4.1528   22.785   5.8836   21.590   5.8623  1167.26  165.620  1133.63  170.423 33.62268 237.6428 
1 1 1   -5   18   37 f  992.440  123.277   16.150   3.7484   15.003   5.1271   17.467   5.4939  932.381  182.148  1008.56  180.597 -76.18091 256.5019 
1 1 1   -5   18   39 o  844.753  132.435   11.962   3.3879   9.1342   4.3510   16.317   5.3995  714.853  190.815  962.442  185.899 -247.5890 266.3994 
1 1 1   -5   18   41 o  781.012  144.883   10.596   3.4127   12.640   4.2849   7.0491   5.6436  841.224  168.544  624.010  225.332 217.2144 281.3928 
1 1 1   -5   18   43 o  1563.43  105.877   40.746   5.1526   45.310   6.4761   32.875   8.5058  1626.44  128.202  1285.56  219.162 340.8778 253.9048 
1 1 1   -5   18   45 o  760.476  195.834   11.873   4.6914   11.873   4.6914   0.0000   0.0000  760.476  195.834  ?   ?  0.000000 195.8339 
1 1 1   -5   18   47 o  927.378  171.931   17.198   4.8088   17.198   4.8088   0.0000   0.0000  927.378  171.931  ?   ?  0.000000 171.9306 
1 1 1   -5   18   49 o  1024.62  170.928   21.877   5.2907   21.877   5.2907   0.0000   0.0000  1024.62  170.928  ?   ?  0.000000 170.9276 
1 1 1   -5   18   51 o  449.094  225.580   1.7742   14.031   1.7742   14.031   0.0000   0.0000  449.094  225.580  ?   ?  0.000000 225.5801 
1 1 1   -5   19    2 o  2152.80  118.389   73.640   7.9499   73.640   7.9499   0.0000   0.0000  2152.80  118.389  ?   ?  0.000000 118.3892 
1 1 1   -5   19    4 o  328.328  138.025   0.2546   2.4072  -0.0043   2.8799   0.8550   4.3854  349.105  149.033  450.149  187.553 -101.0439 239.5555 
1 1 1   -5   19    6 o  381.485  156.462   0.8360   2.9873   0.8360   2.9873   0.0000   0.0000  381.485  156.462  ?   ?  0.000000 156.4616 
1 1 1   -5   19    8 o  1106.44  105.502   19.528   3.6109   18.949   4.4131   20.700   6.2808  1083.92  132.805  1119.19  185.733 -35.27539 228.3285 
1 1 1   -5   19   10 o  817.436  117.636   10.802   2.9243   9.5303   3.8858   12.464   4.4405  756.240  168.421  866.866  169.668 -110.6260 239.0667 
1 1 1   -5   19   12 o  1153.85  118.178   21.327   4.2095   35.850   7.4765   14.587   5.0936  1486.56  163.311  936.551  180.232 550.0105 243.2158 
1 1 1   -5   19   14 o  729.036  117.029   8.6315   2.5811   15.436   3.7380   2.4305   3.5684  978.216  124.887  461.999  176.723 516.2174 216.3968 
1 1 1   -5   19   16 o  515.041  150.758   4.3220   2.5865   20.627   6.1987   0.8848   2.8461  1117.03  183.602  375.260  153.175 741.7721 239.1073 
1 1 1   -5   19   18 o  823.283  253.094   11.340   7.1575   11.340   7.1575   0.0000   0.0000  823.283  253.094  ?   ?  0.000000 253.0938 
1 1 1   -5   19   20 o  330.244  147.339  -1.1826   3.0970  -1.9898   6.4510  -0.9408   3.5305  479.205  213.306  361.589  159.526 117.6161 266.3611 
1 1 1   -5   19   22 o  853.986  122.616   11.806   3.1847   10.718   4.1262   13.409   5.0088  802.231  169.569  895.774  184.708 -93.54327 250.7404 
1 1 1   -5   19   24 o  1918.52  123.212   58.736   7.3626   61.741   11.403   56.588   9.6416  1942.62  189.896  1868.46  166.543 74.16638 252.5807 
1 1 1   -5   19   26 o  1608.64  131.159   41.538   6.5490   41.538   6.5490   0.0000   0.0000  1608.64  131.159  ?   ?  0.000000 131.1590 
1 1 1   -5   19   28 o  2926.83  134.305  137.054   12.309  141.169   18.250  133.619   16.671  2926.47  200.361  2855.74  187.479 70.72827 274.3953 
1 1 1   -5   19   30 o  324.147  146.178  -1.4866   3.1396   0.0000   0.0000  -1.4866   3.1396  ?   ?   324.147  146.178 0.000000 146.1779 
1 1 1   -5   19   32 o  1990.56  164.692   64.867   10.173   0.0000   0.0000   64.867   10.173  ?   ?   1990.56  164.692 0.000000 164.6918 
1 1 1   -5   19   34 o  1296.50  113.825   27.065   4.5741   35.486   6.5847   19.211   6.3589  1474.28  144.496  1059.65  198.952 414.6205 245.8879 
1 1 1   -5   19   36 o  396.285  148.607   1.9995   2.4937   1.8768   3.3951   2.1433   3.6748  429.315  170.023  449.204  177.209 -19.88919 245.5825 
1 1 1   -5   19   38 o  1633.70  102.518   43.095   5.2178   41.021   6.7709   46.129   8.1873  1574.07  138.796  1655.55  159.927 -81.47693 211.7563 
1 1 1   -5   19   40 o  1548.95  104.797   39.216   5.0529   37.415   6.5269   41.909   7.9825  1487.23  141.878  1553.41  166.718 -66.18042 218.9161 
1 1 1   -5   19   42 o  1734.25  103.253   49.660   5.5816   48.735   7.2139   51.039   8.8108  1684.42  137.984  1687.81  168.985 -3.386963 218.1638 
1 1 1   -5   19   44 o  655.133  296.675   9.1702   13.089   9.1702   13.089   0.0000   0.0000  655.133  296.675  ?   ?  0.000000 296.6747 
1 1 1   -5   19   46 o  785.943  158.086   11.759   3.7557   12.514   4.7712   10.530   6.0894  772.633  196.699  663.686  234.677 108.9471 306.2090 
1 1 1   -5   19   48 o  628.343  172.423   8.2417   3.4950   4.7173   4.2959   15.141   6.0107  482.336  191.180  778.527  230.372 -296.1906 299.3681 
1 1 1   -5   19   50 o  567.437  179.422   7.3916   3.5698   5.9320   4.3499   10.403   6.2476  497.072  193.774  585.982  231.094 -88.90967 301.5839 
1 1 1   -5   20    1 o  302.334  142.362  -3.7370   3.4773  -3.7876   5.2343  -3.6969   4.6523  396.722  182.643  369.039  170.708 27.68292 249.9992 
1 1 1   -5   20    3 o  2858.75  128.873  129.551   11.536  129.551   11.536   0.0000   0.0000  2858.75  128.873  ?   ?  0.000000 128.8730 
1 1 1   -5   20    5 o  1031.92  141.283   17.222   4.4452   17.222   4.4452   0.0000   0.0000  1031.92  141.283  ?   ?  0.000000 141.2826 
1 1 1   -5   20    7 o  1579.78  125.475   39.779   6.1557   39.779   6.1557   0.0000   0.0000  1579.78  125.475  ?   ?  0.000000 125.4747 
1 1 1   -5   20    9 o  638.727  156.217   6.7594   3.0985   4.8734   3.7972   10.517   5.3599  562.273  185.654  792.424  211.905 -230.1505 281.7290 
1 1 1   -5   20   11 o  376.660  163.823  -0.5323   3.6067   0.3624   5.8627  -1.0771   4.5748  502.040  213.438  414.306  182.237 87.73434 280.6534 
1 1 1   -5   20   13 o  1159.75  108.353   21.422   3.8892   22.399   4.8377   19.639   6.5396  1181.14  133.126  1088.30  199.247 92.84045 239.6289 
1 1 1   -5   20   15 o  1366.00   95.583   29.553   4.0626   33.500   5.3042   23.953   6.3188  1450.66  117.789  1212.61  171.176 238.0536 207.7867 
1 1 1   -5   20   17 o  1718.45   97.802   46.716   5.2408   48.221   6.5857   44.118   8.6543  1741.17  121.557  1652.65  169.644 88.51880 208.6983 
1 1 1   -5   20   19 o  2078.96  125.791   68.744   8.1501   64.294   12.291   72.236   10.888  1986.47  200.344  2119.46  165.366 -132.9916 259.7760 
1 1 1   -5   20   21 o  1290.02  136.776   26.738   5.4406   18.691   8.9021   31.535   6.8737  1042.40  270.426  1396.00  160.146 -353.6053 314.2875 
1 1 1   -5   20   23 o  1090.99  255.940   20.442   8.5925   20.442   8.5925   0.0000   0.0000  1090.99  255.940  ?   ?  0.000000 255.9398 
1 1 1   -5   20   25 o  1768.79  165.035   50.679   9.0349   0.0000   0.0000   50.679   9.0349  ?   ?   1768.79  165.035 0.000000 165.0348 
1 1 1   -5   20   27 o  333.842  148.463  -1.0653   3.1177  -2.8874   4.7695   0.2941   4.1197  386.892  176.706  421.924  179.135 -35.03180 251.6235 
1 1 1   -5   20   29 o  963.471  199.183   15.695   5.8106   0.0000   0.0000   15.695   5.8106  ?   ?   963.471  199.183 0.000000 199.1830 
1 1 1   -5   20   31 o  2722.89  142.895  119.359   12.141   97.790   18.242  136.508   16.266  2399.65  246.270  2889.08  180.718 -489.4363 305.4634 
1 1 1   -5   20   33 o  691.035  159.770   8.0456   3.3880   5.5502   4.5374   11.190   5.0934  594.970  203.020  806.542  202.092 -211.5724 286.4588 
1 1 1   -5   20   35 o  1118.83  119.294   20.315   4.1148   23.004   5.3945   16.573   6.3632  1180.22  149.313  972.546  214.697 207.6716 261.5135 
1 1 1   -5   20   37 o  994.688  126.921   16.332   3.8630   18.908   5.2159   13.202   5.7491  1054.90  163.174  855.128  214.950 199.7717 269.8694 
1 1 1   -5   20   39 o  1210.49  111.590   24.063   4.1820   21.073   5.5231   28.081   6.4025  1102.61  165.047  1275.90  164.057 -173.2858 232.7126 
1 1 1   -5   20   41 o  1309.73  122.433   28.781   4.9628   29.828   6.8861   27.648   7.1589  1291.12  174.825  1226.76  192.721 64.35986 260.2019 
1 1 1   -5   20   43 o  392.196  169.311   0.7457   3.7953   0.7457   3.7953   0.0000   0.0000  392.196  169.311  ?   ?  0.000000 169.3109 
1 1 1   -5   20   45 o  472.396  171.536   3.9855   3.2771   10.477   4.2806  -5.2077   5.0940  724.443  187.318  336.640  162.240 387.8031 247.8098 
1 1 1   -5   20   47 o  525.710  173.412   5.5517   3.3133   5.0372   4.2693   6.3308   5.2537  504.302  193.205  544.086  212.721 -39.78424 287.3647 
1 1 1   -5   20   49 f  458.052  170.821   4.2262   3.2860   5.5677   4.1780   2.0503   5.3208  502.816  191.487  427.198  191.675 75.61804 270.9366 
1 1 1   -5   21    2 o  1877.43   98.859   55.652   5.7911   55.206   7.0915   56.546   10.034  1865.76  122.058  1876.57  172.695 -10.81287 211.4757 
1 1 1   -5   21    4 o  669.037  186.547   7.3609   4.0550   7.3609   4.0550   0.0000   0.0000  669.037  186.547  ?   ?  0.000000 186.5471 
1 1 1   -5   21    6 o  1716.88  102.819   46.601   5.5021   42.944   6.6783   54.330   9.7078  1642.81  130.913  1839.64  170.464 -196.8282 214.9329 
1 1 1   -5   21    8 o  1071.27  141.036   18.481   4.6159   18.481   4.6159   0.0000   0.0000  1071.27  141.036  ?   ?  0.000000 141.0356 
1 1 1   -5   21   10 o  2286.07  123.340   82.801   8.7963   82.801   8.7963   0.0000   0.0000  2286.07  123.340  ?   ?  0.000000 123.3399 
1 1 1   -5   21   12 o  1161.00  142.932   21.675   5.0864   21.675   5.0864   0.0000   0.0000  1161.00  142.932  ?   ?  0.000000 142.9325 
1 1 1   -5   21   14 o  1861.07  123.264   54.973   7.1425   54.973   7.1425   0.0000   0.0000  1861.07  123.264  ?   ?  0.000000 123.2643 
1 1 1   -5   21   16 o  1306.93  103.996   27.096   4.2206   29.512   5.5281   23.719   6.5353  1359.23  131.532  1206.30  178.399 152.9330 221.6462 
1 1 1   -5   21   18 o  853.344  128.971   11.780   3.3386   13.109   4.4811   10.122   5.0054  892.965  166.384  778.877  203.125 114.0878 262.5711 
1 1 1   -5   21   20 o  476.632  183.065   2.5059   3.8389  -9.6751   7.4992   6.8315   4.4689  422.435  201.822  650.057  200.010 -227.6215 284.1408 
1 1 1   -5   21   22 o  2288.74  173.791   84.417   12.362   0.0000   0.0000   84.417   12.362  ?   ?   2288.74  173.791 0.000000 173.7906 
1 1 1   -5   21   24 o  1153.01  134.249   21.404   4.7561   17.348   6.8929   25.090   6.5710  1013.05  223.311  1238.87  174.203 -225.8195 283.2214 
1 1 1   -5   21   26 o  1432.81  139.778   33.009   6.1912   31.855   10.670   33.595   7.6017  1366.02  258.940  1435.95  172.517 -69.93408 311.1465 
1 1 1   -5   21   28 o  533.191  242.769  -4.5340   8.9143  -4.5340   8.9143   0.0000   0.0000  533.191  242.769  ?   ?  0.000000 242.7688 
1 1 1   -5   21   30 o  1186.61  156.929   23.007   5.6878   22.980   10.825   23.018   6.6849  1135.03  300.032  1176.72  187.736 -41.69348 353.9266 
1 1 1   -5   21   32 o  1383.48  149.298   31.183   6.3651   32.512   11.424   30.585   7.6652  1352.90  278.940  1356.07  185.374 -3.166748 334.9191 
1 1 1   -5   21   34 o  1035.46  176.490   18.103   5.5171   6.7514   10.171   22.836   6.5673  730.635  292.664  1160.98  187.003 -430.3488 347.3073 
1 1 1   -5   21   36 o  1051.80  140.110   18.376   4.4997   17.045   5.9969   20.091   6.8067  983.912  201.432  1064.69  211.628 -80.77240 292.1661 
1 1 1   -5   21   38 o  1297.40  154.344   28.550   6.1471   28.550   6.1471   0.0000   0.0000  1297.40  154.344  ?   ?  0.000000 154.3444 
1 1 1   -5   21   40 o  1208.43  162.546   25.453   5.9946   25.453   5.9946   0.0000   0.0000  1208.43  162.546  ?   ?  0.000000 162.5464 
1 1 1   -5   21   42 o  404.499  180.624  -0.4054   4.6651   8.5658   11.056  -2.3487   5.1456  681.917  291.581  388.792  179.735 293.1248 342.5256 
1 1 1   -5   21   44 f  546.393  181.708   5.6206   3.6352   5.3534   4.7019   6.0176   5.7314  541.740  203.882  569.458  222.307 -27.71796 301.6425 
1 1 1   -5   21   46 o  680.471  182.473   9.2685   3.9679   10.934   5.1463   6.8275   6.2307  710.378  213.841  573.815  229.343 136.5623 313.5702 
1 1 1   -5   21   48 o  803.643  170.692   12.923   4.1627   8.7733   5.4842   18.564   6.3937  605.349  221.584  888.987  228.451 -283.6385 318.2599 
1 1 1   -5   22    1 o  1064.17  151.205   18.272   4.8967   23.498   7.6374   14.625   6.3807  1195.43  211.787  937.201  221.021 258.2323 306.1110 
1 1 1   -5   22    3 o  1101.90  148.573   19.549   4.9955   19.549   4.9955   0.0000   0.0000  1101.90  148.573  ?   ?  0.000000 148.5728 
1 1 1   -5   22    5 o  1208.71  114.169   23.221   4.2699   23.677   5.2340   22.314   7.3828  1216.11  140.006  1164.41  210.223 51.70068 252.5777 
1 1 1   -5   22    7 o  1429.71  106.191   32.357   4.7200   34.731   5.7558   27.483   8.2472  1478.41  125.523  1295.10  210.607 183.3105 245.1764 
1 1 1   -5   22    9 o  1009.51  170.231   16.616   5.1896   11.264   7.6649   21.146   7.0518  835.868  262.734  1133.34  206.314 -297.4711 334.0577 
1 1 1   -5   22   11 o  673.889  166.488   7.4957   3.4926   8.5944   4.2037   5.0469   6.2758  720.901  185.232  633.537  236.107 87.36371 300.0960 
1 1 1   -5   22   13 o  1476.31  108.832   34.527   4.9955   36.450   6.0459   30.389   8.8683  1513.64  128.787  1360.66  215.314 152.9805 250.8913 
1 1 1   -5   22   15 o  1462.81  136.794   34.149   6.1930   34.149   6.1930   0.0000   0.0000  1462.81  136.794  ?   ?  0.000000 136.7939 
1 1 1   -5   22   19 o  1148.36  195.247   21.700   6.7694   21.700   6.7694   0.0000   0.0000  1148.36  195.247  ?   ?  0.000000 195.2475 
1 1 1   -5   22   21 o  779.750  180.983   10.111   4.3337   15.782   8.8857   8.3412   4.9642  965.873  278.489  712.285  208.960 253.5889 348.1671 
1 1 1   -5   22   23 o  1135.46  150.476   20.860   5.2182   21.645   9.3845   20.508   6.2784  1124.85  269.889  1116.52  186.136 8.335693 327.8517 
1 1 1   -5   22   25 o  1606.63  108.863   40.972   5.4443   44.018   6.9911   36.279   8.6784  1659.46  135.732  1490.12  190.343 169.3405 233.7814 
1 1 1   -5   22   27 o  1200.91  157.057   23.430   5.7644   35.101   10.144   17.864   7.0053  1448.26  231.493  1027.54  224.042 420.7153 322.1547 
1 1 1   -5   22   29 o  1892.89  109.866   56.974   6.4838   62.693   8.3466   48.270   10.296  1978.16  135.568  1712.91  195.471 265.2587 237.8817 
1 1 1   -5   22   31 o  1711.38  110.815   46.759   5.9064   48.156   7.6001   44.629   9.3855  1726.36  141.850  1643.50  185.630 82.85718 233.6230 
1 1 1   -5   22   33 o  638.003  211.091   6.6818   4.9081   0.8679   9.7480   8.6563   5.6808  622.226  269.974  712.976  226.432 -90.75012 352.3603 
1 1 1   -5   22   35 o  668.710  233.164   7.4451   5.9973   0.0000   0.0000   7.4451   5.9973  ?   ?   668.710  233.164 0.000000 233.1643 
1 1 1   -5   22   37 o  355.911  166.178  -3.5838   4.5704 -26.8274   11.235   1.0259   5.0031  409.249  205.052  463.306  197.075 -54.05746 284.4029 
1 1 1   -5   22   39 o  712.331  190.231   9.2187   4.3231   6.2220   5.9415   12.590   6.3021  612.781  229.464  809.877  234.828 -197.0955 328.3263 
1 1 1   -5   22   41 o  419.308  179.434   0.8968   4.1928  -7.6419   6.1131   8.4812   5.7614  363.408  175.779  666.560  228.751 -303.1514 288.4878 
1 1 1   -5   22   43 o  327.752  155.549  -3.9295   4.3071  -2.9320   6.4329  -4.7401   5.7986  423.903  197.665  378.628  179.925 45.27499 267.2914 
1 1 1   -5   22   45 o  1024.72  168.590   19.507   5.2213   18.947   7.0593   20.183   7.7580  932.683  240.248  942.872  256.127 -10.18945 351.1699 
1 1 1   -5   22   47 o  531.058  195.719   5.6475   4.2890   10.951   5.3329  -4.0655   7.2171  698.656  219.078  410.660  196.678 287.9959 294.4108 
1 1 1   -5   23    2 o  553.915  192.144   4.4061   4.0702   4.4061   4.0702   0.0000   0.0000  553.915  192.144  ?   ?  0.000000 192.1436 
1 1 1   -5   23    4 o  914.095  159.300   13.600   4.3938   14.407   6.2286   12.801   6.1991  931.466  217.500  877.937  224.591 53.52942 312.6458 
1 1 1   -5   23    6 o  352.292  153.743  -0.6324   3.1997   1.5110   4.1248  -3.8711   5.0703  459.879  185.610  389.322  179.430 70.55695 258.1592 
1 1 1   -5   23    8 o  640.348  171.035   6.7318   3.4943   7.0703   4.2690   6.0446   6.0825  660.421  193.788  658.085  234.345 2.336060 304.0909 
1 1 1   -5   23   10 o  451.725  174.808   2.0967   3.5201   2.1246   4.2904   2.0391   6.1570  484.811  191.407  554.255  225.658 -69.44342 295.9021 
1 1 1   -5   23   12 o  974.175  162.632   15.441   4.7860   10.925   6.3594   21.339   7.2682  815.022  235.770  1137.76  211.807 -322.7403 316.9386 
1 1 1   -5   23   14 o  1188.09  133.900   22.577   4.8945   31.600   7.1142   14.469   6.7442  1401.61  165.279  930.661  232.191 470.9498 285.0082 
1 1 1   -5   23   16 o  1345.82  126.980   28.850   5.2878   34.000   7.7098   24.276   7.2661  1452.27  172.943  1217.98  197.267 234.2842 262.3426 
1 1 1   -5   23   18 f  529.376  173.071   4.3019   3.3030   1.7498   4.5799   7.0681   4.7680  485.095  195.654  664.966  206.927 -179.8718 284.7796 
1 1 1   -5   23   20 o  963.537  183.299   15.292   5.3282   15.292   5.3282   0.0000   0.0000  963.537  183.299  ?   ?  0.000000 183.2991 
1 1 1   -5   23   22 o  1490.10  249.039   36.980   11.210   36.980   11.210   0.0000   0.0000  1490.10  249.039  ?   ?  0.000000 249.0388 
1 1 1   -5   23   24 o  2214.41  216.582   79.970   14.825   79.970   14.825   0.0000   0.0000  2214.41  216.582  ?   ?  0.000000 216.5819 
1 1 1   -5   23   26 f  1157.52  128.656   21.508   4.5842   24.111   6.3404   18.658   6.6358  1215.56  171.334  1056.51  207.992 159.0452 269.4739 
1 1 1   -5   23   28 o  2886.95  135.476  132.843   12.247  157.438   18.759  114.573   16.168  3108.92  193.658  2648.98  196.316 459.9355 275.7593 
1 1 1   -5   23   30 o  935.203  160.586   14.495   4.5331   11.379   6.2910   17.860   6.5377  813.635  234.248  1023.30  211.044 -209.6603 315.2965 
1 1 1   -5   23   32 o  1534.66  153.355   38.593   7.2706   39.957   12.437   37.884   8.9613  1492.69  276.275  1500.19  195.407 -7.501953 338.3956 
1 1 1   -5   23   34 o  636.590  221.700   6.5688   5.4213   3.7097   10.757   7.5423   6.2768  681.747  289.452  678.004  238.414 3.743042 374.9988 
1 1 1   -5   23   36 o  485.393  213.220  -0.2247   6.2442  -0.2247   6.2442   0.0000   0.0000  485.393  213.220  ?   ?  0.000000 213.2200 
1 1 1   -5   23   38 o  798.746  226.535   11.889   5.9270   23.911   11.634   7.6756   6.8878  1057.58  322.238  670.690  247.867 386.8928 406.5406 
1 1 1   -5   23   40 o  626.109  227.104   6.8729   5.7420   3.7962   12.836   7.6426   6.4202  671.811  299.829  654.016  239.695 17.79517 383.8635 
1 1 1   -5   23   42 o  280.820  140.341 -12.2588   5.1089  -9.6902   11.672 -12.8676   5.6821  504.248  243.647  300.061  149.652 204.1870 285.9365 
1 1 1   -5   23   44 o  549.809  211.401   5.2638   5.1228   8.0727   7.6646   2.9958   6.8872  640.242  254.859  527.431  227.884 112.8106 341.8841 
1 1 1   -5   24    1 o  689.699  206.605   7.6586   4.8125   7.6586   4.8125   0.0000   0.0000  689.699  206.605  ?   ?  0.000000 206.6050 
1 1 1   -5   24    3 o  432.517  169.275   1.7706   3.3295  -2.1681   4.1931   8.4918   5.4774  374.312  168.854  727.117  221.003 -352.8048 278.1257 
1 1 1   -5   24    5 o  1341.17  112.970   28.504   4.7000   28.908   6.0160   27.872   7.5296  1345.52  145.087  1312.06  188.703 33.46008 238.0312 
1 1 1   -5   24    7 o  635.445  192.251   6.4646   4.1519   7.6629   5.9506   5.3279   5.7958  706.003  232.373  630.636  228.254 75.36682 325.7256 
1 1 1   -5   24    9 o  568.521  221.877   3.2155   5.7079   0.0000   0.0000   3.2155   5.7079  ?   ?   568.521  221.877 0.000000 221.8769 
1 1 1   -5   24   11 o  843.697  187.304   11.746   4.8192   15.240   6.4597   7.3609   7.2372  958.151  219.960  721.369  255.757 236.7821 337.3340 
1 1 1   -5   24   13 f  1006.26  134.974   16.260   4.1456   18.107   5.4516   13.727   6.3837  1055.68  170.749  908.543  225.461 147.1369 282.8217 
1 1 1   -5   24   15 o  1151.10  125.481   21.139   4.4496   13.948   5.9070   30.570   6.7651  916.817  210.245  1380.38  159.450 -463.5646 263.8698 
1 1 1   -5   24   17 o  760.218  168.896   9.5259   3.9160   11.777   5.3587   6.9457   5.7367  842.311  205.092  677.915  228.293 164.3961 306.8884 
1 1 1   -5   24   19 o  689.985  177.469   7.8604   3.8560   1.8768   5.3442   14.359   5.5692  519.327  210.686  931.401  197.108 -412.0744 288.5135 
1 1 1   -5   24   21 o  1133.88  165.142   20.851   5.6911   13.569   10.085   24.254   6.8937  920.057  302.492  1219.36  186.480 -299.3021 355.3542 
1 1 1   -5   24   23 o  573.087  207.809   4.4412   4.8073   2.1523   10.019   5.1258   5.4792  675.976  282.718  612.584  221.900 63.39227 359.4008 
1 1 1   -5   24   25 o  773.812  293.348   7.7734   9.7769   7.7734   9.7769   0.0000   0.0000  773.812  293.348  ?   ?  0.000000 293.3481 
1 1 1   -5   24   27 o  833.328  232.736   11.802   6.3062   11.802   6.3062   0.0000   0.0000  833.328  232.736  ?   ?  0.000000 232.7355 
1 1 1   -5   24   29 o  474.215  207.503  -0.7611   5.8633  -0.7611   5.8633   0.0000   0.0000  474.215  207.503  ?   ?  0.000000 207.5025 
1 1 1   -5   24   31 o  1541.84  163.988   39.102   7.7956   39.102   7.7956   0.0000   0.0000  1541.84  163.988  ?   ?  0.000000 163.9877 
1 1 1   -5   24   33 o  1037.61  186.295   18.356   5.8303   14.604   11.677   19.602   6.7292  902.828  324.354  1062.36  209.735 -159.5325 386.2567 
1 1 1   -5   24   35 o  1096.44  192.656   20.783   6.3729   5.2642   12.370   26.391   7.4357  730.435  310.273  1234.79  199.085 -504.3544 368.6519 
1 1 1   -5   24   37 o  477.093  214.110  -1.4207   6.6432   0.0000   0.0000  -1.4207   6.6432  ?   ?   477.093  214.110 0.000000 214.1098 
1 1 1   -5   24   39 o  391.326  183.943  -4.6406   5.7603 -28.3315   13.016   1.1297   6.4236  444.235  222.304  509.113  220.025 -64.87762 312.7786 
1 1 1   -5   24   41 o  789.405  254.772   12.464   7.1697   12.464   7.1697   0.0000   0.0000  789.405  254.772  ?   ?  0.000000 254.7717 
1 1 1   -5   24   43 o  890.945  250.606   16.545   7.2846   47.409   14.737   6.5654   8.3800  1399.68  339.687  630.303  260.656 769.3801 428.1691 
1 1 1   -5   25    2 o  577.422  208.926   4.4175   4.8553   3.5560   7.7362   4.9773   6.2364  643.076  256.028  633.567  235.515 9.508911 347.8762 
1 1 1   -5   25    4 o  809.272  189.857   10.794   4.7281   6.6885   6.7058   14.853   6.6674  692.980  246.135  946.869  227.677 -253.8890 335.2898 
1 1 1   -5   25    6 o  850.400  186.518   11.901   4.8300   14.795   6.7624   8.8865   6.9009  944.727  230.615  760.221  250.243 184.5057 340.3016 
1 1 1   -5   25    8 o  687.041  220.256   7.3582   5.3654   13.258   8.7760   3.8369   6.7801  907.006  280.489  619.859  241.845 287.1479 370.3555 
1 1 1   -5   25   10 o  347.098  155.019  -1.4360   3.4378   1.2102   4.3966  -5.5992   5.5148  464.107  190.018  385.918  180.946 78.18896 262.3898 
1 1 1   -5   25   12 o  680.251  187.580   7.5697   4.1247   6.1844   5.1751   9.9824   6.8297  643.294  216.831  791.578  247.875 -148.2848 329.3295 
1 1 1   -5   25   14 o  406.449  172.462   0.1180   3.8149   0.8217   4.9787  -0.8827   5.9371  479.340  199.786  483.653  210.273 -4.313171 290.0503 
1 1 1   -5   25   16 o  614.871  191.898   5.9779   4.0972   5.2607   5.3447   7.0000   6.3804  616.421  219.655  693.099  240.562 -76.67786 325.7587 
1 1 1   -5   25   18 o  1016.22  146.278   16.662   4.5205   14.254   6.0202   19.775   6.8447  926.137  212.154  1095.32  207.159 -169.1846 296.5197 
1 1 1   -5   25   20 o  504.742  185.676   3.2615   3.8576   7.3764   5.4534  -0.8596   5.4576  685.894  222.283  461.633  201.142 224.2607 299.7800 
1 1 1   -5   25   22 o  568.067  191.403   4.8678   4.0325   4.9612   5.6883   4.7733   5.7175  613.038  225.476  608.395  225.633 4.643433 318.9826 
1 1 1   -5   25   24 o  417.771  184.061  -1.1489   4.6842   18.664   10.638  -5.9145   5.2173  1040.68  306.060  364.303  172.400 676.3732 351.2754 
1 1 1   -5   25   26 o  553.770  212.860   3.5548   5.1928   15.108   10.186  -0.5026   6.0362  942.788  303.603  488.948  212.296 453.8403 370.4648 
1 1 1   -5   25   28 o  654.780  198.333   7.1044   4.4168   2.0190   6.4382   11.626   6.0707  553.629  228.670  823.700  227.743 -270.0715 322.7330 
1 1 1   -5   25   30 o  399.984  189.345  -6.7280   6.3031  -6.7280   6.3031   0.0000   0.0000  399.984  189.345  ?   ?  0.000000 189.3448 
1 1 1   -5   25   32 o  931.932  335.076   15.369   12.464   15.369   12.464   0.0000   0.0000  931.932  335.076  ?   ?  0.000000 335.0761 
1 1 1   -5   25   34 o  622.470  245.889   4.7891   7.0840   4.7891   7.0840   0.0000   0.0000  622.470  245.889  ?   ?  0.000000 245.8887 
1 1 1   -5   25   36 o  849.963  329.822   12.621   12.558   12.621   12.558   0.0000   0.0000  849.963  329.822  ?   ?  0.000000 329.8217 
1 1 1   -5   25   38 f  362.389  173.245  -6.4072   5.5444   0.0000   0.0000  -6.4072   5.5444  ?   ?   362.389  173.245 0.000000 173.2452 
1 1 1   -5   25   40 o  514.120  225.542   0.5987   6.9665   0.5987   6.9665   0.0000   0.0000  514.120  225.542  ?   ?  0.000000 225.5422 
1 1 1   -5   26    1 o  476.504  195.889   1.1624   4.6962   0.4567   6.6289   1.8734   6.6541  539.734  228.083  570.739  233.732 -31.00482 326.5770 
1 1 1   -5   26    3 o  445.002  193.768  -0.8820   5.0572   10.404   8.0796  -8.1519   6.4845  822.097  270.780  399.275  189.893 422.8221 330.7284 
1 1 1   -5   26    5 o  468.395  199.487   0.0213   5.1378   5.0279   8.5559  -2.8022   6.4253  699.394  272.008  471.134  211.062 228.2600 344.2899 
1 1 1   -5   26    7 o  576.162  214.093   4.0846   5.1525  -6.1241   8.3980   10.248   6.5250  503.798  231.718  797.782  240.931 -293.9834 334.2768 
1 1 1   -5   26    9 o  452.065  183.155   1.3590   4.0330  -4.2257   5.0788   10.891   6.6352  384.771  178.118  818.983  241.961 -434.2123 300.4517 
1 1 1   -5   26   11 o  843.068  230.921   11.710   6.2756   13.980   9.9189   10.195   8.1037  936.713  299.386  815.272  271.311 121.4407 404.0314 
1 1 1   -5   26   13 o  1318.17  171.600   27.970   6.9149   27.970   6.9149   0.0000   0.0000  1318.17  171.600  ?   ?  0.000000 171.5999 
1 1 1   -5   26   15 o  760.584  228.712   9.3680   5.8892   9.3680   5.8892   0.0000   0.0000  760.584  228.712  ?   ?  0.000000 228.7122 
1 1 1   -5   26   17 o  423.507  180.969  -0.0601   4.2537  -1.1201   5.6659   1.3093   6.4395  466.265  204.003  547.790  227.672 -81.52533 305.6988 
1 1 1   -5   26   19 o  626.308  203.881   6.1030   4.5855  -2.1990   6.0532   17.282   7.0242  462.497  206.191  1016.52  226.478 -554.0253 306.2798 
1 1 1   -5   26   21 o  509.778  195.327   2.9104   4.3639  -5.9777   6.0769   12.374   6.2706  404.967  189.898  858.661  229.011 -453.6935 297.5023 
1 1 1   -5   26   23 o  1072.70  199.612   19.132   6.4580   27.589   11.915   15.614   7.6847  1258.07  305.510  957.220  252.680 300.8485 396.4638 
1 1 1   -5   26   25 o  297.739  146.527  -9.9005   4.8060  -3.0583   10.153 -11.8763   5.4560  594.593  265.918  311.176  153.701 283.4167 307.1426 
1 1 1   -5   26   27 o  442.280  194.647  -1.0730   5.2252   8.5194   10.562  -4.1818   6.0126  794.260  303.980  424.036  195.415 370.2240 361.3741 
1 1 1   -5   26   29 o  852.432  196.080   12.358   5.1247   13.808   7.4256   11.040   7.0815  890.525  253.908  805.777  252.416 84.74817 358.0268 
1 1 1   -5   26   31 o  1044.86  240.576   19.153   7.7082   19.153   7.7082   0.0000   0.0000  1044.86  240.576  ?   ?  0.000000 240.5761 
1 1 1   -5   26   33 o  664.118  237.237   6.8818   6.2382 -13.9219   13.451   12.583   7.0413  563.959  269.673  842.417  249.355 -278.4575 367.2891 
1 1 1   -5   26   35 f  463.590  204.870  -0.8918   5.8467   14.046   13.282  -4.4819   6.5115  895.246  341.304  432.883  200.845 462.3629 396.0137 
1 1 1   -5   26   37 o  821.826  289.203   12.355   9.2371   12.355   9.2371   0.0000   0.0000  821.826  289.203  ?   ?  0.000000 289.2029 
1 1 1   -5   27    2 o  669.553  198.306   7.2153   4.4524   5.4380   5.5451   10.440   7.4695  628.655  223.766  814.409  259.752 -185.7535 342.8448 
1 1 1   -5   27    4 o  822.930  185.782   11.146   4.6738   12.733   5.9028   8.4786   7.6523  877.737  216.192  762.024  263.508 115.7130 340.8453 
1 1 1   -5   27    6 o  563.231  219.107   3.1813   5.5526   14.485   9.2427  -3.2021   6.9457  944.443  287.091  486.431  218.571 458.0121 360.8252 
1 1 1   -5   27    8 o  711.133  199.255   8.2597   4.6144   10.605   5.9893   4.8346   7.2382  804.592  227.559  657.578  251.654 147.0146 339.2831 
1 1 1   -5   27   10 o  773.573  231.944   9.6792   6.0633   4.8756   9.2668   13.275   8.0179  713.406  281.415  900.441  265.965 -187.0356 387.2104 
1 1 1   -5   27   12 o  435.897  198.533  -3.6533   5.9677   4.7573   9.6734  -8.8209   7.5825  720.763  286.504  437.947  207.420 282.8153 353.7056 
1 1 1   -5   27   14 o  482.177  212.834  -1.7344   6.2920   6.2588   9.9206  -7.1134   8.1382  755.650  293.173  479.556  223.184 276.0942 368.4581 
1 1 1   -5   27   16 o  365.919  169.442  -3.7988   4.6013  -4.4022   5.8540  -2.8234   7.4428  418.169  192.750  510.219  227.965 -92.05008 298.5311 
1 1 1   -5   27   18 o  434.644  197.868  -3.4988   5.9188  -3.4988   5.9188   0.0000   0.0000  434.644  197.868  ?   ?  0.000000 197.8677 
1 1 1   -5   27   20 o  633.213  213.553   6.0985   5.0198   9.9794   6.3092  -0.5966   8.2867  780.014  237.215  575.075  249.217 204.9390 344.0644 
1 1 1   -5   27   22 o  1388.70  179.387   31.404   7.6180   33.943   13.064   30.096   9.3774  1399.37  306.623  1342.49  231.433 56.88135 384.1604 
1 1 1   -5   27   24 o  917.385  191.535   14.062   5.3243   17.230   7.0529   9.8657   8.1183  1007.97  228.707  792.813  271.556 215.1591 355.0349 
1 1 1   -5   27   26 o  597.503  275.588  -7.4732   11.995  -7.4732   11.995   0.0000   0.0000  597.503  275.588  ?   ?  0.000000 275.5883 
1 1 1   -5   27   28 o  1143.51  211.081   22.071   7.2795   36.541   13.468   16.098   8.6524  1431.05  309.553  960.024  274.206 471.0275 413.5363 
1 1 1   -5   27   30 o  387.485  176.984  -2.8199   4.7851  -5.2119   6.8855  -0.5856   6.6546  444.598  206.370  507.723  221.642 -63.12479 302.8427 
1 1 1   -5   27   32 o  320.361  155.187  -7.5502   4.8071  -4.1645   7.4275  -9.9906   6.3058  477.882  219.102  363.890  176.620 113.9922 281.4259 
1 1 1   -5   27   34 o  436.253  202.737  -4.8955   6.6765   0.0000   0.0000  -4.8955   6.6765  ?   ?   436.253  202.737 0.000000 202.7372 
1 1 1   -5   27   36 o  541.626  235.393   0.3905   7.4351   0.0000   0.0000   0.3905   7.4351  ?   ?   541.626  235.393 0.000000 235.3927 
1 1 1   -5   28    1 o  480.060  220.365  -5.3082   7.5443  -5.3082   7.5443   0.0000   0.0000  480.060  220.365  ?   ?  0.000000 220.3647 
1 1 1   -5   28    3 o  710.618  237.060   7.6647   6.1854   7.6647   6.1854   0.0000   0.0000  710.618  237.060  ?   ?  0.000000 237.0598 
1 1 1   -5   28    5 o  750.829  237.346   8.9144   6.2471   11.337   9.7196   7.2089   8.1546  868.040  297.135  738.342  270.208 129.6978 401.6235 
1 1 1   -5   28    7 o  840.533  190.474   11.660   4.8972   16.265   6.0853   3.1952   8.2498  993.697  202.448  649.903  262.429 343.7944 331.4424 
1 1 1   -5   28    9 f  447.348  190.270   0.0904   4.6628   2.0379   6.0774  -2.6964   7.2701  551.991  224.404  506.808  225.955 45.18304 318.4539 
1 1 1   -5   28   11 f  957.057  188.997   15.062   5.4629   14.552   6.8323   15.965   9.0959  934.613  233.995  980.058  281.526 -45.44446 366.0743 
1 1 1   -5   28   13 o  285.448  141.439 -11.1171   4.7543 -10.7733   5.7740 -11.8409   8.3783  337.966  165.136  438.404  210.479 -100.4378 267.5284 
1 1 1   -5   28   15 o  760.874  246.506   9.1326   6.7071   6.0369   10.455   11.297   8.7432  762.037  299.453  848.711  281.784 -86.67377 411.1866 
1 1 1   -5   28   17 o  1440.52  186.408   33.656   8.2110   32.273   12.441   34.722   10.930  1377.07  297.232  1444.56  250.722 -67.48901 388.8552 
1 1 1   -5   28   19 o  768.192  252.099   9.3199   7.0056   14.944   11.282   5.7900   8.9376  961.980  320.119  717.522  278.301 244.4576 424.1786 
1 1 1   -5   28   21 o  1178.84  173.628   22.660   6.2171   21.702   7.7952   24.335   10.306  1138.59  226.616  1191.87  280.764 -53.27271 360.8098 
1 1 1   -5   28   23 o  881.611  255.610   13.101   7.4671   13.101   7.4671   0.0000   0.0000  881.611  255.610  ?   ?  0.000000 255.6096 
1 1 1   -5   28   25 o  421.065  200.737  -9.0512   7.3364  -9.0512   7.3364   0.0000   0.0000  421.065  200.737  ?   ?  0.000000 200.7366 
1 1 1   -5   28   27 o  716.983  305.132   2.0650   12.004   2.0650   12.004   0.0000   0.0000  716.983  305.132  ?   ?  0.000000 305.1322 
1 1 1   -5   28   29 o  850.324  283.010   12.051   8.8175   0.0000   0.0000   12.051   8.8175  ?   ?   850.324  283.010 0.000000 283.0103 
1 1 1   -5   28   31 o  617.748  239.803   4.5709   6.6402   2.5366   10.508   5.9233   8.5676  678.135  286.901  694.887  271.655 -16.75153 395.1062 
1 1 1   -5   28   33 o  598.271  253.703   1.6951   8.2477   0.0000   0.0000   1.6951   8.2477  ?   ?   598.271  253.703 0.000000 253.7030 
1 1 1   -5   29    2 o  536.725  220.836   1.5307   5.9750   0.5396   7.8747   2.8754   9.1728  585.810  248.131  671.407  274.629 -85.59753 370.1216 
1 1 1   -5   29    4 o  1049.31  294.549   18.357   10.074   18.357   10.074   0.0000   0.0000  1049.31  294.549  ?   ?  0.000000 294.5492 
1 1 1   -5   29    6 o  648.490  237.827   5.4730   6.3220   5.4730   6.3220   0.0000   0.0000  648.490  237.827  ?   ?  0.000000 237.8274 
1 1 1   -5   29    8 f  561.650  229.875   1.8972   6.4317   1.8972   6.4317   0.0000   0.0000  561.650  229.875  ?   ?  0.000000 229.8752 
1 1 1   -5   29   10 o  706.964  218.142   7.9923   5.3115   8.3625   6.4670   7.2250   9.3108  735.672  242.253  762.964  286.948 -27.29248 375.5335 
1 1 1   -5   29   12 o  1022.39  183.869   17.110   5.6699   14.828   6.9570   21.623   9.7845  942.796  236.163  1133.05  277.898 -190.2521 364.6924 
1 1 1   -5   29   14 o  950.537  196.480   14.928   5.6547   11.950   7.0172   20.444   9.5495  851.497  248.053  1100.80  277.212 -249.3032 371.9905 
1 1 1   -5   29   16 o  648.219  222.909   6.2129   5.4722   2.6659   6.6715   13.506   9.5667  585.682  236.171  914.734  294.197 -329.0518 377.2645 
1 1 1   -5   29   18 o  821.098  224.479   11.218   5.9369   10.883   7.4783   11.789   9.7633  820.921  259.702  872.465  297.805 -51.54382 395.1369 
1 1 1   -5   29   20 o  543.707  236.055  -0.7479   7.4617  -4.8264   12.331   1.6085   9.3725  645.674  290.571  648.379  272.449 -2.705444 398.3209 
1 1 1   -5   29   22 o  400.574  192.667 -10.2092   7.0953   1.9892   11.328 -18.0851   9.1020  707.958  298.608  412.450  202.720 295.5078 360.9178 
1 1 1   -5   29   24 o  774.946  293.928   7.7629   9.8188   0.0000   0.0000   7.7629   9.8188  ?   ?   774.946  293.928 0.000000 293.9279 
1 1 1   -5   29   26 o  908.671  253.445   14.069   7.4835   10.162   11.096   17.328   10.136  844.804  314.127  1003.03  299.687 -158.2258 434.1526 
1 1 1   -5   29   28 o  628.961  269.769   0.6847   9.5163   0.0000   0.0000   0.6847   9.5163  ?   ?   628.961  269.769 0.000000 269.7690 
1 1 1   -5   29   30 o  820.876  340.847   6.0000   14.413   6.0000   14.413   0.0000   0.0000  820.876  340.847  ?   ?  0.000000 340.8466 
1 1 1   -5   30    1 o  559.070  221.113   2.8012   5.7349   2.6606   6.7219   3.1773   10.994  589.754  237.325  728.572  299.637 -138.8188 382.2379 
1 1 1   -5   30    3 o  441.386  197.117  -2.2395   5.5576   0.3869   6.6324  -8.4310   10.183  537.442  227.685  541.328  251.163 -3.886230 339.0035 
1 1 1   -5   30    5 o  567.176  220.180   3.2911   5.5981  -4.4049   6.9011   18.100   9.5731  465.824  212.678  1041.68  285.162 -575.8527 355.7378 
1 1 1   -5   30    7 o  460.127  199.151  -0.6158   5.2783  -0.8112   6.5963  -0.2680   8.8007  512.534  222.232  603.320  259.117 -90.78613 341.3631 
1 1 1   -5   30    9 o  577.635  235.293   2.1860   6.6982   2.1860   6.6982   0.0000   0.0000  577.635  235.293  ?   ?  0.000000 235.2931 
1 1 1   -5   30   11 o  834.707  257.549   11.247   7.4039   11.247   7.4039   0.0000   0.0000  834.707  257.549  ?   ?  0.000000 257.5486 
1 1 1   -5   30   13 o  569.657  265.623 -10.1965   11.615 -10.1965   11.615   0.0000   0.0000  569.657  265.623  ?   ?  0.000000 265.6228 
1 1 1   -5   30   15 o  1158.80  181.098   21.847   6.3561   21.452   7.6440   22.734   11.442  1138.30  222.434  1157.61  309.633 -19.30444 381.2474 
1 1 1   -5   30   17 o  563.964  224.450   2.7850   5.9435   1.3480   7.4739   5.2571   9.8031  585.053  244.394  731.072  289.107 -146.0189 378.5644 
1 1 1   -5   30   19 f  603.858  232.448   4.0492   6.1987   5.0044   8.1443   2.7339   9.5567  681.855  265.329  675.410  278.755 6.445068 384.8426 
1 1 1   -5   30   21 o  1012.99  241.665   17.285   7.5583   14.503   10.505   20.270   10.883  944.908  308.643  1089.74  306.232 -144.8349 434.7856 
1 1 1   -5   30   23 f  544.090  233.507  -0.0239   7.1376   6.4948   9.8003  -7.3873   10.416  750.917  291.375  555.246  256.345 195.6705 388.0878 
1 1 1   -5   30   25 o  858.348  273.359   12.117   8.2749   12.238   13.112   12.037   10.667  920.918  341.664  882.956  310.780 37.96216 461.8640 
1 1 1   -5   31    2 o  502.604  214.400  -0.0026   5.9520  -0.2156   6.8914   0.6230   11.809  535.995  229.722  711.249  302.666 -175.2541 379.9720 
1 1 1   -5   31    4 o  431.789  196.712  -3.6455   5.8634   1.8509   6.8643 -18.4788   11.277  576.938  236.962  488.784  236.998 88.15475 335.1401 
1 1 1   -5   31    6 o  481.201  208.265  -0.6694   5.7721  -8.4808   6.9585   16.562   10.335  415.978  197.506  1005.35  303.131 -589.3707 361.7970 
1 1 1   -5   31    8 o  457.838  202.148  -1.6532   5.6799   2.0401   7.1220  -8.1076   9.4149  589.696  241.688  517.541  240.592 72.15552 341.0247 
1 1 1   -5   31   10 o  465.339  205.614  -1.7407   5.8873  -0.3692   7.4777  -3.9769   9.5485  554.779  238.576  573.290  257.028 -18.51105 350.6877 
1 1 1   -5   31   12 o  618.060  238.182   4.1331   6.5139   1.4801   7.9625   9.5013   11.326  606.218  252.662  853.740  317.387 -247.5219 405.6752 
1 1 1   -5   31   14 o  684.004  264.335   5.0906   8.0404   5.0906   8.0404   0.0000   0.0000  684.004  264.335  ?   ?  0.000000 264.3350 
1 1 1   -5   31   16 o  744.283  279.536   6.9133   8.8301   6.9133   8.8301   0.0000   0.0000  744.283  279.536  ?   ?  0.000000 279.5358 
1 1 1   -5   31   18 o  792.638  299.910   7.8001   10.207   7.8001   10.207   0.0000   0.0000  792.638  299.910  ?   ?  0.000000 299.9103 
1 1 1   -5   31   20 o  695.545  247.046   6.8899   6.7555   11.208   8.4954  -0.5359   11.141  842.388  277.670  669.066  289.459 173.3224 401.1073 
1 1 1   -5   31   22 o  914.804  276.407   13.894   8.5865   12.097   13.225   15.204   11.290  928.018  343.362  969.094  320.124 -41.07538 469.4427 
1 1 1   -5   32    1 o  464.477  208.911  -3.0331   6.3636  -0.2472   7.3505 -11.3694   12.715  553.299  237.198  596.106  277.941 -42.80627 365.3955 
1 1 1   -5   32    3 o  461.733  215.134  -6.9220   7.5962  -4.4556   9.4531 -11.4172   12.762  564.646  254.232  597.080  278.415 -32.43445 377.0262 
1 1 1   -5   32    5 o  886.672  240.920   12.968   6.8631   8.5877   8.1202   23.923   12.841  773.606  271.222  1195.04  331.527 -421.4347 428.3357 
1 1 1   -5   32    7 o  818.860  218.136   11.048   5.6935   7.1565   8.1758   14.712   7.9334  738.474  270.513  943.419  260.146 -204.9452 375.3041 
1 1 1   -5   32    9 o  675.592  233.570   6.6269   6.0121   8.3853   7.8126   4.0736   9.4144  761.916  266.096  702.223  281.469 59.69250 387.3398 
1 1 1   -5   32   11 o  771.556  253.546   9.1943   7.0854  -1.4195   10.379   18.458   9.6962  637.552  277.601  1052.03  286.574 -414.4760 398.9829 
1 1 1   -5   32   13 o  679.609  246.316   6.2041   6.7527  -5.2283   8.6332   24.221   10.838  523.389  238.540  1200.33  291.306 -676.9374 376.5105 
1 1 1   -5   32   15 o  619.737  245.466   3.4913   7.0773   0.5977   9.0444   8.0616   11.366  625.557  265.497  825.424  315.483 -199.8669 412.3326 
1 1 1   -4    0   10 o  7900.23  263.383  987.518   64.990  987.518   64.990  987.518   64.990  7900.23  263.383  7900.23  263.383 -0.000000 0.000000 
1 1 1   -4    0   12 o 11324.47  371.786  2048.24  131.512  2048.24  131.512  2048.24  131.512 11324.47  371.786 11324.47  371.786 -0.000000 0.000000 
1 1 1   -4    0   14 o  7585.03  255.408  913.107   60.505  913.107   60.505  913.107   60.505  7585.03  255.408  7585.03  255.408 -0.000000 0.000000 
1 1 1   -4    0   16 o  7233.33  245.529  832.477   55.466  832.477   55.466  832.477   55.466  7233.33  245.529  7233.33  245.529 -0.000000 0.000000 
1 1 1   -4    0   18 o  2463.21  115.662   95.965   8.8761   95.965   8.8761   95.965   8.8761  2463.21  115.662  2463.21  115.662 -0.000000 0.000000 
1 1 1   -4    0   20 o  2567.64  117.549  104.313   9.4057  104.313   9.4057  104.313   9.4057  2567.64  117.549  2567.64  117.549 -0.000000 0.000000 
1 1 1   -4    0   22 o  2112.40  156.538   71.568   10.223   71.568   10.223   71.568   10.223  2112.40  156.538  2112.40  156.538 -0.000000 0.000000 
1 1 1   -4    0   24 o  4244.09  229.407  290.102   30.283  290.102   30.283  290.102   30.283  4244.09  229.407  4244.09  229.407 -0.000000 0.000000 
1 1 1   -4    0   26 o  783.646  160.035   10.827   3.4728   10.827   3.4728   10.827   3.4728  783.646  160.035  783.646  160.035 -0.000000 0.000000 
1 1 1   -4    0   28 o  1081.18  145.643   19.498   4.6790   19.498   4.6790   19.498   4.6790  1081.18  145.643  1081.18  145.643 -0.000000 0.000000 
1 1 1   -4    0   30 o  548.471  196.275   6.3409   3.0793   6.3409   3.0793   6.3409   3.0793  548.471  196.275  548.471  196.275 -0.000000 0.000000 
1 1 1   -4    0   32 o  2196.75  162.805   78.411   11.057   78.411   11.057   78.411   11.057  2196.75  162.805  2196.75  162.805 -0.000000 0.000000 
1 1 1   -4    0   34 o  1566.02  150.692   40.208   7.2322   40.208   7.2322   40.208   7.2322  1566.02  150.692  1566.02  150.692 -0.000000 0.000000 
1 1 1   -4    0   36 o  2749.99  180.012  123.840   15.348  123.840   15.348  123.840   15.348  2749.99  180.012  2749.99  180.012 -0.000000 0.000000 
1 1 1   -4    0   38 o  729.045  188.798   10.068   3.7247   10.068   3.7247   10.068   3.7247  729.045  188.798  729.045  188.798 -0.000000 0.000000 
1 1 1   -4    0   46 o  5265.69  283.214  468.831   46.388  468.831   46.388  468.831   46.388  5265.69  283.214  5265.69  283.214 -0.000000 0.000000 
1 1 1   -4    0   48 o  4798.94  261.503  385.763   39.028  385.763   39.028  385.763   39.028  4798.94  261.503  4798.94  261.503 -0.000000 0.000000 
1 1 1   -4    0   50 o  367.221  201.104   3.1017   3.3115   3.1017   3.3115   3.1017   3.3115  367.221  201.104  367.221  201.104 -0.000000 0.000000 
1 1 1   -4    0   52 o  985.580  190.698   17.323   5.2510   17.323   5.2510   17.323   5.2510  985.580  190.698  985.580  190.698 -0.000000 0.000000 
1 1 1   -4    0   54 f  255.441  165.916  -0.0001   3.1756  -0.0001   3.1756  -0.0001   3.1756  255.441  165.916  255.441  165.916 -0.000000 0.000000 
1 1 1   -4    0   56 o  239.930  159.044  -0.5586   3.1506  -0.5586   3.1506  -0.5586   3.1506  239.930  159.044  239.930  159.044 -0.000000 0.000000 
1 1 1   -4    0   60 o  526.607  241.438   7.0332   4.3502   7.0332   4.3502   7.0332   4.3502  526.607  241.438  526.607  241.438 -0.000000 0.000000 
1 1 1   -4    0   62 o  1444.99  172.649   36.438   7.5170   36.438   7.5170   36.438   7.5170  1444.99  172.649  1444.99  172.649 -0.000000 0.000000 
1 1 1   -4    1    9 o  1476.30   78.900   34.264   3.6341   34.660   4.4471   33.470   6.3051  1483.32   96.267  1452.41  140.389 30.91370 170.2249 
1 1 1   -4    1   11 o  2426.47   92.772   92.376   7.0487   92.378   8.6294   92.373   12.219  2425.21  113.635  2415.79  162.472 9.416260 198.2677 
1 1 1   -4    1   13 o  611.140   64.788   5.9208   1.2209   6.0700   1.7369   5.7751   1.7165  614.951   93.114  599.260   94.619 15.69189 132.7517 
1 1 1   -4    1   15 o  1512.41   68.871   35.886   3.2615   35.536   4.6128   36.235   4.6122  1500.19   98.749  1515.08   97.742 -14.88477 138.9419 
1 1 1   -4    1   17 o  694.904   76.086   7.6765   1.6285   7.6740   2.0077   7.6814   2.7845  691.842   95.200  685.131  134.594 6.710449 164.8593 
1 1 1   -4    1   19 o  3612.54  115.808  206.455   13.100  211.265   16.049  196.855   22.674  3645.46  140.602  3481.61  208.956 163.8550 251.8561 
1 1 1   -4    1   21 o  1475.89   79.826   34.394   3.6754   34.199   4.5072   34.782   6.3497  1468.42   98.597  1471.62  139.461 -3.203979 170.7939 
1 1 1   -4    1   23 o  3184.70  107.777  160.708   10.748  159.720   13.166  162.681   18.607  3165.10  132.849  3160.38  188.888 4.722168 230.9273 
1 1 1   -4    1   25 o  1072.46   95.932   18.367   3.1875   17.939   4.5230   18.790   4.4928  1047.87  141.465  1074.30  136.651 -26.42871 196.6870 
1 1 1   -4    1   27 o  2033.15  108.732   66.349   6.8971   64.084   9.7621   68.606   9.7459  1970.46  159.590  2043.05  153.465 -72.59277 221.4053 
1 1 1   -4    1   29 o  1910.55  106.722   59.027   6.3590   63.049   9.0111   55.036   8.9750  1946.00  149.016  1809.24  160.076 136.7537 218.7011 
1 1 1   -4    1   31 o  1069.86  100.566   18.650   3.3294   18.722   4.7506   18.581   4.6676  1048.55  148.870  1045.79  146.564 2.767700 208.9099 
1 1 1   -4    1   33 o  1830.98  107.875   54.957   6.1574   55.295   8.7299   54.621   8.6860  1792.66  157.109  1781.40  157.337 11.25745 222.3465 
1 1 1   -4    1   35 o  713.070  113.884   8.6113   2.4572   8.1611   3.5261   9.0363   3.4262  666.808  168.737  707.934  158.509 -41.12653 231.5110 
1 1 1   -4    1   37 o  3313.73  244.867  232.874   25.228   0.0000   0.0000  232.874   25.228  ?   ?   3313.73  244.867 0.000000 244.8669 
1 1 1   -4    1   39 o  1541.89  160.008   43.532   7.6128   0.0000   0.0000   43.532   7.6128  ?   ?   1541.89  160.008 0.000000 160.0078 
1 1 1   -4    1   41 o  1943.95  170.886   70.094   10.296   0.0000   0.0000   70.094   10.296  ?   ?   1943.95  170.886 0.000000 170.8863 
1 1 1   -4    1   43 o  2349.92  191.257  107.540   13.951  107.540   13.951   0.0000   0.0000  2349.92  191.257  ?   ?  0.000000 191.2570 
1 1 1   -4    1   45 o  1502.36  168.028   43.214   7.7691   43.214   7.7691   0.0000   0.0000  1502.36  168.028  ?   ?  0.000000 168.0283 
1 1 1   -4    1   47 o  1562.50  174.737   48.832   8.4027   48.832   8.4027   0.0000   0.0000  1562.50  174.737  ?   ?  0.000000 174.7366 
1 1 1   -4    1   49 o  1821.75  116.929   59.468   6.6348   62.088   9.4772   56.950   9.2916  1727.25  177.768  1640.07  184.111 87.18018 255.9263 
1 1 1   -4    1   51 o  3151.92  173.315  219.232   17.039  228.423   24.145  210.111   24.051  2526.86  311.767  2292.88  345.730 233.9800 465.5404 
1 1 1   -4    1   53 o  2018.99  138.284   89.391   8.6896   93.570   12.369   85.318   12.210  1626.00  251.020  1480.60  273.449 145.3981 371.1943 
1 1 1   -4    1   55 o  2009.88  177.304  124.666   11.044  129.579   15.687  119.838   15.552  917.688  364.825  806.967  345.456 110.7208 502.4308 
1 1 1   -4    1   57 o  484.149  242.553  123.710   15.700  123.710   15.700   0.0000   0.0000  484.149  242.553  ?   ?  0.000000 242.5534 
1 1 1   -4    1   59 o  403.013  196.869   45.423   8.1902   0.0000   0.0000   45.423   8.1902  ?   ?   403.013  196.869 0.000000 196.8686 
1 1 1   -4    1   61 o  268.557  128.477   6.9089   3.0605   2.5454   4.5377   10.550   4.1452  ?   ?   265.019  131.449 0.000000 131.4489 
1 1 1   -4    2    8 f  1233.57   45.587   23.834   1.7608   51.423   2.5998   0.4527   2.3934  1811.92   45.823  336.507  139.241 1475.417 146.5876 
1 1 1   -4    2   10 o  1479.39   97.298   34.489   4.4820   34.891   6.3348   34.086   6.3422  1483.21  137.983  1465.56  139.904 17.64722 196.5003 
1 1 1   -4    2   12 o  762.086   66.372   9.1732   1.5680   13.054   1.9354   1.7599   2.6750  909.930   68.427  401.968  153.188 507.9616 167.7759 
1 1 1   -4    2   14 o  3179.65  105.275  158.974   10.481  163.206   12.844  150.538   18.134  3218.47  127.452  3073.78  189.331 144.6907 228.2334 
1 1 1   -4    2   16 o  4507.09  166.834  322.809   23.545  315.595   33.319  330.004   33.277  4414.63  241.956  4518.15  236.031 -103.5161 338.0140 
1 1 1   -4    2   18 o  4962.67  261.661  405.331   40.517  405.331   40.517   0.0000   0.0000  4962.67  261.661  ?   ?  0.000000 261.6614 
1 1 1   -4    2   20 o  350.416   96.207   1.9978   1.0878   2.6806   1.5832   1.3871   1.4971  407.080  117.604  322.706  116.120 84.37436 165.2709 
1 1 1   -4    2   22 o  4286.82  161.556  294.893   21.686  296.132   30.673  293.655   30.664  4235.92  232.136  4217.21  233.118 18.70996 328.9847 
1 1 1   -4    2   24 o  3971.73  224.065  262.269   27.752   0.0000   0.0000  262.269   27.752  ?   ?   3971.73  224.065 0.000000 224.0650 
1 1 1   -4    2   26 o  4558.74  172.623  341.160   24.641  335.520   34.852  346.797   34.844  4398.64  254.125  4480.14  249.366 -81.50098 356.0380 
1 1 1   -4    2   28 o  1180.07   96.428   22.406   3.5320   22.710   5.0053   22.104   4.9846  1171.49  139.174  1154.88  140.752 16.61340 197.9404 
1 1 1   -4    2   30 o  1974.36  107.922   63.311   6.6467   60.294   9.3752   66.359   9.4248  1886.47  160.229  1986.37  152.698 -99.89832 221.3367 
1 1 1   -4    2   32 o  2262.82  169.383   88.457   11.915   0.0000   0.0000   88.457   11.915  ?   ?   2262.82  169.383 0.000000 169.3834 
1 1 1   -4    2   34 o  1904.65  160.630   63.210   9.4905   0.0000   0.0000   63.210   9.4905  ?   ?   1904.65  160.630 0.000000 160.6301 
1 1 1   -4    2   36 o  3838.33  283.737  329.606   33.860   0.0000   0.0000  329.606   33.860  ?   ?   3838.33  283.737 0.000000 283.7365 
1 1 1   -4    2   38 f  2451.42  191.145  115.656   14.556   0.0000   0.0000  115.656   14.556  ?   ?   2451.42  191.145 0.000000 191.1445 
1 1 1   -4    2   40 f  2040.29  172.770   77.426   10.934   0.0000   0.0000   77.426   10.934  ?   ?   2040.29  172.770 0.000000 172.7698 
1 1 1   -4    2   42 o  2813.73  212.305  158.952   18.567   0.0000   0.0000  158.952   18.567  ?   ?   2813.73  212.305 0.000000 212.3049 
1 1 1   -4    2   44 o  2439.64  196.124  118.598   14.856   0.0000   0.0000  118.598   14.856  ?   ?   2439.64  196.124 0.000000 196.1244 
1 1 1   -4    2   46 o  1994.30  182.129   79.538   11.248   0.0000   0.0000   79.538   11.248  ?   ?   1994.30  182.129 0.000000 182.1293 
1 1 1   -4    2   52 o  1105.96  210.913   33.133   7.0374   33.133   7.0374   0.0000   0.0000  1105.96  210.913  ?   ?  0.000000 210.9126 
1 1 1   -4    2   54 f  415.033  153.152   4.9624   2.6276   5.8111   4.0512   4.3460   3.4524  393.858  172.408  369.978  160.597 23.88031 235.6177 
1 1 1   -4    2   56 o  692.187  274.886   50.366   8.8970   50.366   8.8970   0.0000   0.0000  692.187  274.886  ?   ?  0.000000 274.8859 
1 1 1   -4    2   58 o  1277.93  278.469  119.172   10.828  113.682   15.413  124.523   15.215  ?   ?   424.903  215.748 0.000000 215.7484 
1 1 1   -4    2   60 f  731.855  221.355   39.851   5.5047   37.920   8.0130   41.577   7.5751  317.254  160.612  360.749  178.712 -43.49542 240.2795 
1 1 1   -4    2   62 o  416.863  180.948   25.707   4.3827   29.545   6.4112   22.339   6.0049  ?   ?   ?   ?  0.000000      ? 
1 1 1   -4    3    7 o  3940.14  125.641  243.840   15.501  350.651   21.942  137.431   21.901  4721.95  148.404  2936.08  240.329 1785.874 282.4567 
1 1 1   -4    3    9 o 11214.23  361.800  2028.14  127.044  2318.72  179.676  1737.61  179.659 11854.76  484.039 10153.70  567.346 1701.055 745.7719 
1 1 1   -4    3   11 o  1431.83   94.285   32.315   4.2035   35.668   5.9578   28.991   5.9317  1500.59  128.021  1349.62  142.518 150.9729 191.5742 
1 1 1   -4    3   13 o  4558.78  166.235  328.635   23.729  339.371   33.564  317.906   33.553  4604.90  233.537  4453.15  241.535 151.7554 335.9738 
1 1 1   -4    3   15 o  3817.54  146.269  230.595   17.485  242.711   24.735  218.493   24.719  3892.41  203.650  3687.76  215.000 204.6499 296.1393 
1 1 1   -4    3   17 o  2000.76  151.357   63.958   9.4122   63.958   9.4122   0.0000   0.0000  2000.76  151.357  ?   ?  0.000000 151.3568 
1 1 1   -4    3   19 o  2985.29  126.513  141.303   11.826  145.325   16.731  137.288   16.718  3003.88  178.686  2916.93  183.979 86.95264 256.4706 
1 1 1   -4    3   21 o  2192.19  109.030   76.035   7.4841   79.439   10.594   72.643   10.575  2224.54  153.018  2124.31  160.152 100.2366 221.5026 
1 1 1   -4    3   23 o  950.121   91.632   14.388   2.6923   16.401   3.8453   12.453   3.7708  1007.97  124.477  871.731  143.112 136.2351 189.6727 
1 1 1   -4    3   25 o  1993.59  105.594   63.370   6.5681   69.041   9.3077   57.746   9.2699  2064.99  144.866  1881.35  158.843 183.6442 214.9819 
1 1 1   -4    3   27 o  1785.84  103.213   51.161   5.7470   54.211   8.1456   48.138   8.1094  1818.08  144.270  1707.62  153.296 110.4591 210.5081 
1 1 1   -4    3   29 o  1501.10  100.093   36.376   4.6777   34.695   6.6014   38.071   6.6293  1440.23  148.512  1513.60  141.518 -73.36230 205.1413 
1 1 1   -4    3   31 o  1853.22  106.145   55.866   6.1339   51.044   8.6637   60.712   8.6855  1729.01  161.911  1900.09  147.130 -171.0809 218.7745 
1 1 1   -4    3   33 f  2156.07  112.172   76.408   7.5468   70.773   10.652   82.086   10.693  2013.64  170.549  2185.95  157.275 -172.3113 231.9967 
1 1 1   -4    3   35 o  401.934  140.069   2.5954   2.1642   0.0000   0.0000   2.5954   2.1642  ?   ?   401.934  140.069 0.000000 140.0688 
1 1 1   -4    3   37 o  1067.74  149.532   20.397   4.8623   0.0000   0.0000   20.397   4.8623  ?   ?   1067.74  149.532 0.000000 149.5319 
1 1 1   -4    3   39 o  284.801  120.734   0.3627   1.8669   0.0000   0.0000   0.3627   1.8669  ?   ?   284.801  120.734 0.000000 120.7344 
1 1 1   -4    3   41 o  1643.53  159.625   48.949   8.1112   0.0000   0.0000   48.949   8.1112  ?   ?   1643.53  159.625 0.000000 159.6248 
1 1 1   -4    3   43 o  3029.72  229.346  192.655   21.596   0.0000   0.0000  192.655   21.596  ?   ?   3029.72  229.346 0.000000 229.3463 
1 1 1   -4    3   45 o  3050.74  248.029  213.527   23.488   0.0000   0.0000  213.527   23.488  ?   ?   3050.74  248.029 0.000000 248.0289 
1 1 1   -4    3   47 o  2538.46  216.938  142.595   17.078   0.0000   0.0000  142.595   17.078  ?   ?   2538.46  216.938 0.000000 216.9380 
1 1 1   -4    3   49 o  1591.36  172.914   51.882   8.4775   0.0000   0.0000   51.882   8.4775  ?   ?   1591.36  172.914 0.000000 172.9140 
1 1 1   -4    3   57 o  465.811  236.094  147.604   17.659   0.0000   0.0000  147.604   17.659  ?   ?   465.811  236.094 0.000000 236.0943 
1 1 1   -4    3   59 o  212.213  105.754  -0.2259   2.8135   0.0000   0.0000  -0.2259   2.8135  ?   ?   212.213  105.754 0.000000 105.7537 
1 1 1   -4    3   61 o  184.786   93.516  -0.9347   2.7008   0.0000   0.0000  -0.9347   2.7008  ?   ?   184.786   93.516 0.000000 93.51589 
1 1 1   -4    4    2 o  5999.49   25.246  563.596   4.7428  1253.20   7.1059   9.6018   6.3690  8946.21   25.367  778.472  238.652 8167.743 239.9961 
1 1 1   -4    4    4 o  3614.57  127.404  205.199   14.420  277.323   20.407  133.275   20.378  4198.84  155.212  2894.53  226.652 1304.307 274.7035 
1 1 1   -4    4    6 o  3119.36  128.673  152.868   12.568  147.018   17.774  158.719   17.774  3047.62  187.157  3168.28  179.905 -120.6621 259.6027 
1 1 1   -4    4    8 o  3272.29  132.473  168.326   13.574  166.714   19.197  169.937   19.195  3244.28  189.798  3275.96  187.913 -31.68018 267.0855 
1 1 1   -4    4   10 o  1105.42   91.562   19.306   3.1407   20.600   4.4525   18.025   4.4308  1137.54  127.181  1061.67  136.442 75.87329 186.5241 
1 1 1   -4    4   12 o  244.590   84.069   0.8518   0.7783   0.5231   1.1596   1.1214   1.0500  250.840   99.358  281.944   97.602 -31.10434 139.2776 
1 1 1   -4    4   14 o  1424.99   96.039   32.073   4.2603   33.287   6.0284   30.862   6.0215  1445.82  134.710  1390.71  140.189 55.10437 194.4213 
1 1 1   -4    4   16 o  3868.69  214.231  241.612   25.850  241.612   25.850   0.0000   0.0000  3868.69  214.231  ?   ?  0.000000 214.2312 
1 1 1   -4    4   18 o  2059.81  106.698   67.170   6.8582   68.855   9.7111   65.493   9.6868  2074.34  150.535  2021.73  154.180 52.61353 215.4814 
1 1 1   -4    4   20 o  2507.61  115.822   99.554   9.0943   99.340   12.870   99.768   12.852  2485.12  166.358  2490.75  165.735 -5.624756 234.8260 
1 1 1   -4    4   22 o  1928.21  104.564   59.002   6.2896   61.299   8.9066   56.718   8.8833  1952.98  146.717  1876.22  152.527 76.76160 211.6371 
1 1 1   -4    4   24 o  1726.10  100.888   47.398   5.4291   51.662   7.6932   43.168   7.6627  1790.15  138.320  1630.58  151.825 159.5665 205.3852 
1 1 1   -4    4   26 f  1449.82   98.470   33.619   4.4438   32.716   6.2945   34.516   6.2744  1413.27  144.262  1453.99  139.528 -40.71814 200.6973 
1 1 1   -4    4   28 o  2239.66  112.712   81.129   7.8791   80.115   11.148   82.141   11.138  2187.16  163.970  2216.85  161.562 -29.69214 230.1923 
1 1 1   -4    4   30 o  672.016   99.835   7.4216   2.0369   7.6632   2.9064   7.1883   2.8556  668.378  143.184  646.417  144.687 21.96106 203.5588 
1 1 1   -4    4   32 o  1632.82  102.714   43.405   5.2247   42.035   7.3874   44.775   7.3904  1571.77  152.000  1626.92  146.649 -55.15320 211.2106 
1 1 1   -4    4   34 o  1708.83  104.733   47.982   5.5770   49.059   7.8930   46.908   7.8812  1686.13  151.101  1644.76  154.851 41.36780 216.3566 
1 1 1   -4    4   36 o  1405.16  101.417   32.747   4.4322   31.284   6.2606   34.218   6.2757  1327.15  153.485  1396.43  145.669 -69.28809 211.6061 
1 1 1   -4    4   38 o  1033.74  149.657   19.160   4.7033   0.0000   0.0000   19.160   4.7033  ?   ?   1033.74  149.657 0.000000 149.6570 
1 1 1   -4    4   40 o  3378.91  246.662  241.082   25.917   0.0000   0.0000  241.082   25.917  ?   ?   3378.91  246.662 0.000000 246.6617 
1 1 1   -4    4   42 o  546.156  156.209   5.5285   2.8060   0.0000   0.0000   5.5285   2.8060  ?   ?   546.156  156.209 0.000000 156.2091 
1 1 1   -4    4   44 o  2081.90  176.745   82.691   11.413   0.0000   0.0000   82.691   11.413  ?   ?   2081.90  176.745 0.000000 176.7447 
1 1 1   -4    4   46 o  2017.69  179.522   80.454   11.224   0.0000   0.0000   80.454   11.224  ?   ?   2017.69  179.522 0.000000 179.5221 
1 1 1   -4    4   50 o  1730.20  183.981   65.327   9.8146   0.0000   0.0000   65.327   9.8146  ?   ?   1730.20  183.981 0.000000 183.9812 
1 1 1   -4    4   52 o  1282.04  192.151   41.807   7.4760   0.0000   0.0000   41.807   7.4760  ?   ?   1282.04  192.151 0.000000 192.1513 
1 1 1   -4    4   54 o  703.743  347.129  257.408   27.495   0.0000   0.0000  257.408   27.495  ?   ?   703.743  347.129 0.000000 347.1293 
1 1 1   -4    4   62 f  ?   ?    74.522   10.940   0.0000   0.0000   74.522   10.940  ?   ?   ?   ?  0.000000      ? 
1 1 1   -4    5    1 o  6561.54  223.142  681.034   45.846  712.639   64.839  649.434   64.834  6680.33  309.970  6362.65  326.523 317.6816 450.2209 
1 1 1   -4    5    3 o  6401.17  218.822  647.966   43.860  650.980   62.027  644.952   62.028  6384.00  310.293  6353.77  311.772 30.22852 439.8676 
1 1 1   -4    5    5 o  6489.08  221.235  666.375   44.952  641.761   63.571  690.991   63.574  6322.75  322.163  6574.62  308.811 -251.8682 446.2659 
1 1 1   -4    5    7 f  4572.25  166.357  329.517   23.817  338.000   33.684  321.036   33.681  4609.85  234.124  4490.48  240.411 119.3774 335.5762 
1 1 1   -4    5    9 o  1824.66  102.038   52.442   5.8066   52.795   8.2159   52.090   8.2075  1825.25  144.947  1812.81  145.826 12.44348 205.6079 
1 1 1   -4    5   11 o  1139.67   93.119   20.533   3.2940   19.702   4.6626   21.362   4.6542  1109.80  137.088  1157.29  130.729 -47.48755 189.4281 
1 1 1   -4    5   13 o  2375.79  112.357   88.890   8.3585   89.200   11.822   88.580   11.819  2367.52  160.424  2359.12  160.957 8.401123 227.2510 
1 1 1   -4    5   15 o  1426.30  138.448   32.504   6.1054   32.504   6.1054   0.0000   0.0000  1426.30  138.448  ?   ?  0.000000 138.4484 
1 1 1   -4    5   17 o  2375.09  112.657   89.119   8.3783   89.199   11.855   89.040   11.843  2359.81  161.403  2357.71  161.384 2.100342 228.2449 
1 1 1   -4    5   19 o  1434.74   96.191   32.606   4.2964   35.771   6.0867   29.464   6.0654  1495.88  131.274  1353.16  145.433 142.7206 195.9177 
1 1 1   -4    5   21 o  1897.62  104.092   57.103   6.1614   57.630   8.7287   56.580   8.6985  1894.11  148.358  1876.39  149.283 17.72961 210.4654 
1 1 1   -4    5   23 o  1457.98  139.851   34.315   6.3063   0.0000   0.0000   34.315   6.3063  ?   ?   1457.98  139.851 0.000000 139.8508 
1 1 1   -4    5   25 o  4974.78  185.113  408.565   28.835  410.600   40.790  406.532   40.769  4843.17  270.044  4816.47  271.432 26.69434 382.8827 
1 1 1   -4    5   27 o  548.913   99.201   4.9574   1.6423   5.1580   2.3384   4.7620   2.3070  552.375  136.085  530.844  137.642 21.53113 193.5576 
1 1 1   -4    5   29 o  2552.97  119.553  106.030   9.5571  102.955   13.522  109.100   13.510  2456.56  176.974  2535.77  171.147 -79.21216 246.1928 
1 1 1   -4    5   31 o  1357.67   98.032   29.871   4.1395   32.064   5.8616   27.689   5.8467  1385.23  136.931  1279.31  148.732 105.9250 202.1665 
1 1 1   -4    5   33 o  3774.10  156.233  243.660   18.463  239.676   26.117  247.640   26.104  3551.47  236.202  3623.06  231.307 -71.59766 330.5972 
1 1 1   -4    5   35 o  1073.72   97.732   19.011   3.2499   17.342   4.5910   20.688   4.6011  990.498  152.953  1094.79  137.233 -104.2931 205.4932 
1 1 1   -4    5   37 o  442.782  113.520   3.4086   1.5813   5.0949   2.2380   1.7274   2.2346  534.588  133.966  360.459  139.339 174.1289 193.2931 
1 1 1   -4    5   39 o  1566.12  103.697   40.829   5.0564   41.811   7.1532   39.848   7.1485  1535.91  150.676  1494.21  155.044 41.70374 216.1990 
1 1 1   -4    5   41 o  1472.59  152.632   38.591   6.9357   0.0000   0.0000   38.591   6.9357  ?   ?   1472.59  152.632 0.000000 152.6316 
1 1 1   -4    5   43 o  227.601  102.200  -0.5190   1.5159   0.0000   0.0000  -0.5190   1.5159  ?   ?   227.601  102.200 0.000000 102.2002 
1 1 1   -4    5   45 o  2982.39  236.198  196.156   21.877   0.0000   0.0000  196.156   21.877  ?   ?   2982.39  236.198 0.000000 236.1978 
1 1 1   -4    5   47 o  1627.93  165.752   51.256   8.3312   0.0000   0.0000   51.256   8.3312  ?   ?   1627.93  165.752 0.000000 165.7522 
1 1 1   -4    5   49 o  926.766  166.844   17.367   4.6636   0.0000   0.0000   17.367   4.6636  ?   ?   926.766  166.844 0.000000 166.8441 
1 1 1   -4    5   51 o  2309.67  287.642  178.746   20.352   0.0000   0.0000  178.746   20.352  ?   ?   2309.67  287.642 0.000000 287.6415 
1 1 1   -4    5   53 o  913.171  196.728   23.999   5.4591   0.0000   0.0000   23.999   5.4591  ?   ?   913.171  196.728 0.000000 196.7282 
1 1 1   -4    5   55 o  811.753  233.997   30.246   6.2740   0.0000   0.0000   30.246   6.2740  ?   ?   811.753  233.997 0.000000 233.9967 
1 1 1   -4    5   57 o  609.003  240.252   33.872   6.7547   0.0000   0.0000   33.872   6.7547  ?   ?   609.003  240.252 0.000000 240.2524 
1 1 1   -4    6    2 o  3124.65  184.355  154.629   17.957  154.629   17.957   0.0000   0.0000  3124.65  184.355  ?   ?  0.000000 184.3549 
1 1 1   -4    6    4 o  2150.10  108.155   72.771   7.2583   72.872   10.264   72.670   10.265  2145.68  153.791  2142.64  154.034 3.033691 217.6648 
1 1 1   -4    6    6 o  1204.42   93.520   22.901   3.4993   23.501   4.9492   22.302   4.9483  1215.22  132.197  1182.88  136.078 32.34265 189.7189 
1 1 1   -4    6    8 o  5805.36  289.392  541.771   52.606  541.771   52.606   0.0000   0.0000  5805.36  289.392  ?   ?  0.000000 289.3920 
1 1 1   -4    6   10 o  4736.87  171.148  355.269   25.385  331.235   35.897  379.311   35.903  4537.00  253.698  4870.27  235.428 -333.2603 346.1057 
1 1 1   -4    6   12 o  2500.10  114.621   98.470   8.9730  103.071   12.695   93.876   12.684  2545.51  160.091  2426.92  167.947 118.5925 232.0247 
1 1 1   -4    6   14 o  817.494  134.350   10.843   3.3196   10.843   3.3196   0.0000   0.0000  817.494  134.350  ?   ?  0.000000 134.3500 
1 1 1   -4    6   16 o  2580.48  116.907  105.229   9.4462  107.686   13.365  102.775   13.353  2593.47  165.441  2532.04  169.394 61.42627 236.7810 
1 1 1   -4    6   18 o  1561.34   98.822   38.597   4.8064   36.793   6.8019   40.396   6.7927  1514.41  145.221  1589.27  137.865 -74.85938 200.2393 
1 1 1   -4    6   20 o  2243.70  110.219   79.644   7.7435   79.290   10.955   79.998   10.946  2221.13  158.563  2231.39  157.684 -10.25049 223.6210 
1 1 1   -4    6   22 o  2416.69  164.424   94.476   12.368   0.0000   0.0000   94.476   12.368  ?   ?   2416.69  164.424 0.000000 164.4236 
1 1 1   -4    6   24 o  1891.96  105.012   57.110   6.1967   55.620   8.7791   58.590   8.7479  1847.77  153.114  1899.03  148.290 -51.25439 213.1521 
1 1 1   -4    6   26 o  2028.25  108.812   66.095   6.8853   58.690   9.7496   73.462   9.7251  1878.33  167.525  2116.34  147.680 -238.0099 223.3252 
1 1 1   -4    6   28 o  1029.50   93.954   17.092   2.9953   14.581   4.2225   19.635   4.2497  929.253  150.245  1091.67  126.676 -162.4173 196.5208 
1 1 1   -4    6   30 o  1403.69   98.096   31.847   4.2845   29.266   6.0463   34.452   6.0723  1318.75  149.038  1439.82  136.310 -121.0698 201.9716 
1 1 1   -4    6   32 o  2911.10  129.635  140.347   11.817  136.808   16.714  143.884   16.708  2778.65  193.309  2859.32  187.660 -80.67383 269.4155 
1 1 1   -4    6   34 o  2333.74  116.206   90.250   8.4918   91.605   12.038   88.908   11.980  2276.54  170.107  2239.62  172.152 36.92529 242.0184 
1 1 1   -4    6   36 o  2149.89  114.493   77.418   7.6797   74.973   10.891   79.836   10.831  2033.74  172.647  2110.92  165.183 -77.17993 238.9400 
1 1 1   -4    6   38 o  1844.31  107.160   56.631   6.1618   60.226   8.7406   53.079   8.6878  1847.34  152.466  1719.79  163.290 127.5450 223.4043 
1 1 1   -4    6   40 o  1053.02   97.973   18.355   3.1934   13.718   4.5091   23.021   4.5232  861.383  173.181  1160.25  126.553 -298.8708 214.4931 
1 1 1   -4    6   42 o  2095.91  112.773   73.887   7.3739   81.972   10.448   65.861   10.409  2140.41  156.979  1884.05  178.575 256.3573 237.7632 
1 1 1   -4    6   44 o  1344.81  152.860   32.912   6.3225   0.0000   0.0000   32.912   6.3225  ?   ?   1344.81  152.860 0.000000 152.8599 
1 1 1   -4    6   46 o  642.124  158.743   7.9435   3.1737   0.0000   0.0000   7.9435   3.1737  ?   ?   642.124  158.743 0.000000 158.7431 
1 1 1   -4    6   48 o  1681.10  168.293   55.536   8.7399   0.0000   0.0000   55.536   8.7399  ?   ?   1681.10  168.293 0.000000 168.2934 
1 1 1   -4    6   50 o  445.427  154.249   4.0819   2.6225   0.0000   0.0000   4.0819   2.6225  ?   ?   445.427  154.249 0.000000 154.2489 
1 1 1   -4    6   52 o  1078.63  184.941   29.248   6.0215   0.0000   0.0000   29.248   6.0215  ?   ?   1078.63  184.941 0.000000 184.9412 
1 1 1   -4    6   56 o  832.344  283.448   55.217   8.8444   0.0000   0.0000   55.217   8.8444  ?   ?   832.344  283.448 0.000000 283.4475 
1 1 1   -4    6   58 o  471.950  233.847   98.062   12.994   0.0000   0.0000   98.062   12.994  ?   ?   471.950  233.847 0.000000 233.8470 
1 1 1   -4    6   60 o  ?   ?   165.587   19.212   0.0000   0.0000  165.587   19.212  ?   ?   ?   ?  0.000000      ? 
1 1 1   -4    7    1 o  4784.08  247.706  365.846   36.980   0.0000   0.0000  365.846   36.980  ?   ?   4784.08  247.706 0.000000 247.7064 
1 1 1   -4    7    3 o  1915.26  148.309   58.156   8.8250   0.0000   0.0000   58.156   8.8250  ?   ?   1915.26  148.309 0.000000 148.3091 
1 1 1   -4    7    7 o  1174.10   93.661   21.788   3.4147   21.322   4.8287   22.254   4.8295  1155.29  136.094  1181.12  132.892 -25.83862 190.2153 
1 1 1   -4    7    9 o  2992.74  126.187  141.174   11.825  141.820   16.723  140.527   16.723  2984.08  179.814  2970.17  180.668 13.91602 254.9005 
1 1 1   -4    7   11 o  774.756  133.972   9.7470   3.1325   9.7470   3.1325   0.0000   0.0000  774.756  133.972  ?   ?  0.000000 133.9724 
1 1 1   -4    7   13 o  3475.43  198.933  194.095   21.559  194.095   21.559   0.0000   0.0000  3475.43  198.933  ?   ?  0.000000 198.9328 
1 1 1   -4    7   15 o  3177.38  131.255  159.844   13.059  151.758   18.470  167.927   18.465  3070.49  193.092  3234.91  183.048 -164.4185 266.0657 
1 1 1   -4    7   17 o  2044.13  106.139   66.120   6.7702   69.311   9.5867   62.945   9.5624  2082.78  147.960  1982.29  155.300 100.4918 214.4995 
1 1 1   -4    7   19 o  1075.82   93.378   18.385   3.1144   19.680   4.4155   17.102   4.3934  1106.23  129.949  1027.87  140.157 78.35645 191.1301 
1 1 1   -4    7   23 o  616.211   96.476   6.1592   1.8004   7.4854   2.5556   4.8524   2.5369  673.960  125.722  539.834  146.392 134.1256 192.9680 
1 1 1   -4    7   25 f  2666.58  121.089  114.327   10.111  108.840   14.305  119.805   14.292  2556.50  179.850  2690.74  170.508 -134.2300 247.8283 
1 1 1   -4    7   27 o  1489.52   99.416   35.678   4.6102   34.545   6.5312   36.803   6.5084  1443.64  146.514  1493.54  140.832 -49.90479 203.2236 
1 1 1   -4    7   29 o  3136.80  134.223  161.442   13.183  159.128   18.655  163.751   18.634  3029.74  197.722  3078.67  194.292 -48.92603 277.2060 
1 1 1   -4    7   31 o  2422.39  117.559   95.847   8.9170   89.464   12.623  102.204   12.598  2274.47  178.682  2448.20  165.305 -173.7253 243.4188 
1 1 1   -4    7   33 o  1874.66  107.182   57.641   6.2655   56.806   8.8812   58.468   8.8405  1813.91  157.941  1844.01  154.532 -30.09888 220.9647 
1 1 1   -4    7   35 f  1669.91  104.335   46.050   5.4282   45.986   7.6983   46.113   7.6552  1621.24  153.473  1624.84  152.238 -3.601318 216.1719 
1 1 1   -4    7   37 o  1205.67   99.780   24.017   3.7331   24.204   5.3118   23.834   5.2475  1175.42  147.575  1166.91  146.866 8.511230 208.2023 
1 1 1   -4    7   39 o  2447.96  120.209  100.337   9.2142   99.499   13.048  101.172   13.014  2342.72  179.229  2366.51  176.903 -23.79028 251.8285 
1 1 1   -4    7   41 f  323.750  111.016   1.6428   1.3569   2.0377   2.0431   1.3313   1.8149  369.208  135.230  325.696  125.664 43.51196 184.6040 
1 1 1   -4    7   43 o  2098.71  113.902   74.466   7.4571   70.862   10.544   78.074   10.548  1954.11  174.143  2069.30  164.139 -115.1958 239.3066 
1 1 1   -4    7   45 o  274.395  113.831   0.5479   1.6054   0.0000   0.0000   0.5479   1.6054  ?   ?   274.395  113.831 0.000000 113.8310 
1 1 1   -4    7   47 o  666.821  157.666   8.5697   3.2402   0.0000   0.0000   8.5697   3.2402  ?   ?   666.821  157.666 0.000000 157.6663 
1 1 1   -4    7   49 o  863.427  161.122   14.892   4.1959   0.0000   0.0000   14.892   4.1959  ?   ?   863.427  161.122 0.000000 161.1216 
1 1 1   -4    7   51 o  2107.86  249.210  133.216   16.130   0.0000   0.0000  133.216   16.130  ?   ?   2107.86  249.210 0.000000 249.2104 
1 1 1   -4    7   55 o  665.559  207.863   18.329   4.8063   0.0000   0.0000   18.329   4.8063  ?   ?   665.559  207.863 0.000000 207.8632 
1 1 1   -4    7   57 o  378.638  161.347   7.3631   3.3643   0.0000   0.0000   7.3631   3.3643  ?   ?   378.638  161.347 0.000000 161.3470 
1 1 1   -4    7   59 o  387.228  173.808   14.326   4.3795   0.0000   0.0000   14.326   4.3795  ?   ?   387.228  173.808 0.000000 173.8078 
1 1 1   -4    7   61 o  283.327  136.942   9.4928   3.6937   0.0000   0.0000   9.4928   3.6937  ?   ?   283.327  136.942 0.000000 136.9416 
1 1 1   -4    8    2 o  5104.30  182.258  413.024   29.130  426.815   41.196  399.233   41.196  5158.27  255.054  4977.49  265.278 180.7734 368.0009 
1 1 1   -4    8    4 o  872.093   92.585   12.081   2.4896   12.800   3.5428   11.379   3.4992  891.953  130.731  838.612  138.061 53.34082 190.1354 
1 1 1   -4    8    6 f  2892.89  177.586  133.251   16.009   0.0000   0.0000  133.251   16.009  ?   ?   2892.89  177.586 0.000000 177.5859 
1 1 1   -4    8   10 o  975.557  135.536   15.324   4.0284   0.0000   0.0000   15.324   4.0284  ?   ?   975.557  135.536 0.000000 135.5355 
1 1 1   -4    8   14 o  3441.69  197.948  190.581   21.243  190.581   21.243   0.0000   0.0000  3441.69  197.948  ?   ?  0.000000 197.9477 
1 1 1   -4    8   16 o  1674.10  143.927   44.818   7.4714   0.0000   0.0000   44.818   7.4714  ?   ?   1674.10  143.927 0.000000 143.9271 
1 1 1   -4    8   20 o  1046.42  135.424   17.725   4.3332   0.0000   0.0000   17.725   4.3332  ?   ?   1046.42  135.424 0.000000 135.4243 
1 1 1   -4    8   22 o  300.521   97.981   1.3813   1.0589   2.6427   1.5598   0.3032   1.4421  403.008  116.820  261.134  108.071 141.8739 159.1418 
1 1 1   -4    8   24 o  3644.34  145.248  215.503   16.575  222.933   23.449  208.085   23.431  3637.12  206.755  3504.07  214.585 133.0532 297.9835 
1 1 1   -4    8   26 o  443.355  133.588   3.2353   2.0077   3.2353   2.0077   0.0000   0.0000  443.355  133.588  ?   ?  0.000000 133.5879 
1 1 1   -4    8   28 o  319.276  102.157   1.6073   1.1546   1.7618   1.6243   1.4494   1.6417  346.781  121.318  329.962  121.166 16.81909 171.4623 
1 1 1   -4    8   30 o  294.561  101.378   1.2867   1.1320   0.5642   1.6287   1.9619   1.5744  284.140  115.915  355.898  119.600 -71.75787 166.5545 
1 1 1   -4    8   32 o  754.750  102.228   9.3935   2.3538   7.5601   3.3920   11.096   3.2690  652.022  165.773  808.028  133.889 -156.0061 213.0888 
1 1 1   -4    8   34 o  2644.43  124.291  116.760   10.292  114.186   14.572  119.322   14.538  2515.33  186.335  2580.94  181.037 -65.61353 259.7979 
1 1 1   -4    8   36 o  297.653  104.278   1.3244   1.2002   2.2041   1.7616   0.5623   1.6397  371.212  126.502  281.516  115.741 89.69604 171.4605 
1 1 1   -4    8   38 o  1272.08  100.106   26.601   3.9552   24.964   5.6194   28.209   5.5679  1194.91  153.757  1281.16  141.135 -86.24866 208.7107 
1 1 1   -4    8   40 o  812.649  102.263   10.986   2.5446   11.640   3.6347   10.357   3.5634  812.257  148.376  761.516  154.720 50.74078 214.3681 
1 1 1   -4    8   42 o  1906.00  109.998   60.723   6.5370   56.957   9.2578   64.467   9.2316  1772.28  168.867  1904.59  156.169 -132.3112 230.0105 
1 1 1   -4    8   44 o  623.412  113.987   6.7330   2.1431   5.9973   3.0817   7.4219   2.9823  563.303  164.466  633.569  152.227 -70.26556 224.1027 
1 1 1   -4    8   46 o  1053.92  102.634   18.820   3.3440   20.162   4.6782   17.419   4.7818  1052.83  145.822  959.729  165.074 93.10510 220.2575 
1 1 1   -4    8   48 o  2032.05  182.924   83.644   11.514   0.0000   0.0000   83.644   11.514  ?   ?   2032.05  182.924 0.000000 182.9245 
1 1 1   -4    8   50 o  1903.37  196.902   84.170   11.566   0.0000   0.0000   84.170   11.566  ?   ?   1903.37  196.902 0.000000 196.9022 
1 1 1   -4    8   54 o  977.729  216.978   33.367   6.4693   0.0000   0.0000   33.367   6.4693  ?   ?   977.729  216.978 0.000000 216.9779 
1 1 1   -4    8   56 o  730.783  323.906  117.426   14.721   0.0000   0.0000  117.426   14.721  ?   ?   730.783  323.906 0.000000 323.9064 
1 1 1   -4    8   58 o  543.658  220.716   27.198   5.8696   0.0000   0.0000   27.198   5.8696  ?   ?   543.658  220.716 0.000000 220.7157 
1 1 1   -4    8   60 o  401.941  192.308   36.026   6.8611   0.0000   0.0000   36.026   6.8611  ?   ?   401.941  192.308 0.000000 192.3082 
1 1 1   -4    9    1 o  3241.29  132.509  165.792   13.449  168.548   19.020  163.036   19.019  3250.10  187.691  3195.28  190.964 54.81494 267.7596 
1 1 1   -4    9    3 o  3099.24  129.042  151.531   12.523  156.650   17.710  146.412   17.710  3134.65  181.204  3028.14  187.703 106.5073 260.8970 
1 1 1   -4    9    5 o  4774.64  249.897  368.459   37.231   0.0000   0.0000  368.459   37.231  ?   ?   4774.64  249.897 0.000000 249.8968 
1 1 1   -4    9    7 o  3171.50  130.752  158.834   12.985  164.190   18.365  153.479   18.362  3206.24  183.689  3097.33  190.244 108.9124 264.4509 
1 1 1   -4    9    9 o  3826.99  147.528  231.980   17.679  232.623   25.000  231.336   25.002  3804.12  210.704  3793.25  211.339 10.87109 298.4304 
1 1 1   -4    9   15 o  1343.06  138.912   28.900   5.7574   0.0000   0.0000   28.900   5.7574  ?   ?   1343.06  138.912 0.000000 138.9118 
1 1 1   -4    9   17 o  1605.08  142.978   41.287   7.1107   0.0000   0.0000   41.287   7.1107  ?   ?   1605.08  142.978 0.000000 142.9783 
1 1 1   -4    9   19 o  2412.57  164.329   93.913   12.340   0.0000   0.0000   93.913   12.340  ?   ?   2412.57  164.329 0.000000 164.3291 
1 1 1   -4    9   23 o  2298.75  163.272   86.729   11.676   86.729   11.676   0.0000   0.0000  2298.75  163.272  ?   ?  0.000000 163.2723 
1 1 1   -4    9   25 o  356.245  107.420   2.0528   1.2978   1.3595   1.8092   2.7878   1.8628  334.858  126.370  415.382  129.353 -80.52454 180.8358 
1 1 1   -4    9   27 o  778.715   98.499   9.8448   2.3480   8.8593   3.3275   10.822   3.3138  721.477  152.085  804.906  136.349 -83.42871 204.2570 
1 1 1   -4    9   29 f  1596.96  146.917   42.484   7.2641   42.484   7.2641   0.0000   0.0000  1596.96  146.917  ?   ?  0.000000 146.9166 
1 1 1   -4    9   31 o  407.484  112.459   2.7905   1.4818   2.4972   2.1992   3.0343   2.0055  403.701  141.168  427.924  134.372 -24.22339 194.8954 
1 1 1   -4    9   33 o  2616.05  123.293  113.518   10.100  109.695   14.303  117.320   14.263  2481.10  185.444  2578.81  177.719 -97.71191 256.8532 
1 1 1   -4    9   35 o  540.507  155.221   5.1855   2.7654   5.1855   2.7654   0.0000   0.0000  540.507  155.221  ?   ?  0.000000 155.2208 
1 1 1   -4    9   37 o  4756.81  194.209  408.541   28.927  368.961   40.912  448.110   40.906  4065.19  324.095  4648.52  282.370 -583.3228 429.8496 
1 1 1   -4    9   39 o  2887.31  131.083  139.992   11.851  130.969   16.770  148.993   16.750  2666.96  202.325  2876.25  186.994 -209.2944 275.5033 
1 1 1   -4    9   41 o  685.720  107.405   7.9208   2.2304   6.8378   3.1659   8.9881   3.1429  611.961  162.491  712.088  145.859 -100.1271 218.3533 
1 1 1   -4    9   43 o  324.678  115.310   1.6057   1.4717   3.2353   2.0363  -0.1763   2.1295  430.906  135.418  283.902  124.618 147.0039 184.0315 
1 1 1   -4    9   45 o  1928.52  111.495   62.982   6.7041   64.053   9.4815   61.911   9.4806  1866.01  163.935  1828.67  167.430 37.34216 234.3231 
1 1 1   -4    9   47 o  1814.38  110.703   56.489   6.2593   57.398   8.8554   55.582   8.8485  1740.96  164.389  1707.28  167.683 33.68115 234.8216 
1 1 1   -4    9   49 o  1162.19  104.437   23.707   3.7600   23.142   5.2463   24.303   5.3916  1074.92  160.809  1101.29  161.116 -26.36890 227.6349 
1 1 1   -4    9   53 o  512.998  179.466   8.2387   3.5544   0.0000   0.0000   8.2387   3.5544  ?   ?   512.998  179.466 0.000000 179.4658 
1 1 1   -4    9   55 f  421.234  171.323   7.1463   3.5443   0.0000   0.0000   7.1463   3.5443  ?   ?   421.234  171.323 0.000000 171.3234 
1 1 1   -4    9   57 o  248.043  118.607   0.6666   2.6018   0.0000   0.0000   0.6666   2.6018  ?   ?   248.043  118.607 0.000000 118.6074 
1 1 1   -4    9   59 o  332.113  151.267   7.6810   3.4646   58.669   13.467   4.0670   3.5853  ?   ?   269.617  131.385 0.000000 131.3852 
1 1 1   -4   10    2 o  2185.89  156.661   76.077   10.652   76.077   10.652   0.0000   0.0000  2185.89  156.661  ?   ?  0.000000 156.6609 
1 1 1   -4   10    4 o  1831.82  103.408   52.978   5.9071   54.006   8.3549   51.951   8.3529  1842.00  146.053  1805.78  149.058 36.22192 208.6855 
1 1 1   -4   10    6 o  1415.04   97.434   31.646   4.2908   33.125   6.0594   30.159   6.0769  1441.67  135.830  1373.57  143.404 68.09485 197.5213 
1 1 1   -4   10    8 o  2512.78  115.505   99.543   9.0881  104.063   12.863   95.039   12.842  2555.86  161.561  2440.06  169.121 115.8008 233.8882 
1 1 1   -4   10   10 o  2611.06  118.020  107.558   9.6492  107.929   13.649  107.188   13.643  2600.08  168.556  2590.94  169.091 9.138916 238.7528 
1 1 1   -4   10   12 o  659.914  142.081   7.1598   2.8490   7.1598   2.8490   0.0000   0.0000  659.914  142.081  ?   ?  0.000000 142.0811 
1 1 1   -4   10   14 o  4350.67  234.613  308.083   31.843   0.0000   0.0000  308.083   31.843  ?   ?   4350.67  234.613 0.000000 234.6134 
1 1 1   -4   10   16 o  1143.18  137.831   21.051   4.8343   0.0000   0.0000   21.051   4.8343  ?   ?   1143.18  137.831 0.000000 137.8311 
1 1 1   -4   10   18 o  3104.62  187.964  156.697   18.187   0.0000   0.0000  156.697   18.187  ?   ?   3104.62  187.964 0.000000 187.9641 
1 1 1   -4   10   26 o  1534.42  146.719   38.816   6.9634   0.0000   0.0000   38.816   6.9634  ?   ?   1534.42  146.719 0.000000 146.7193 
1 1 1   -4   10   30 o  2466.57  173.988  104.125   13.352   0.0000   0.0000  104.125   13.352  ?   ?   2466.57  173.988 0.000000 173.9879 
1 1 1   -4   10   32 o  1326.16   99.973   28.655   4.1209   24.153   5.8385   33.124   5.8172  1180.23  162.279  1405.40  133.805 -225.1621 210.3296 
1 1 1   -4   10   34 o  947.907  100.057   14.742   2.9249   13.543   4.1676   15.907   4.1060  880.010  157.005  965.065  139.962 -85.05499 210.3332 
1 1 1   -4   10   36 o  2193.29  113.974   79.094   7.8004   75.303   11.046   82.866   11.017  2079.04  171.195  2193.42  161.548 -114.3733 235.3839 
1 1 1   -4   10   38 o  1621.16  104.133   42.996   5.2581   36.606   7.4436   49.361   7.4285  1447.46  167.315  1708.54  140.087 -261.0712 218.2175 
1 1 1   -4   10   40 o  1663.33  104.220   45.482   5.4007   40.636   7.6233   50.366   7.6523  1521.51  162.526  1714.72  143.851 -193.2115 217.0432 
1 1 1   -4   10   42 o  1988.54  165.232   70.593   10.195   70.593   10.195   0.0000   0.0000  1988.54  165.232  ?   ?  0.000000 165.2324 
1 1 1   -4   10   44 o  730.827  108.055   9.0635   2.3982   8.6163   3.3484   9.5345   3.4364  683.183  159.432  721.456  156.610 -38.27344 223.4846 
1 1 1   -4   10   46 o  1282.54  103.087   27.713   4.1050   27.442   5.7927   27.986   5.8179  1225.10  154.437  1238.53  153.293 -13.43176 217.5990 
1 1 1   -4   10   48 o  1195.96  104.659   24.730   3.8799   20.666   5.4549   28.890   5.5196  1007.99  179.403  1242.80  144.537 -234.8138 230.3832 
1 1 1   -4   10   50 o  1685.45  189.598   66.064   9.8325   66.064   9.8325   0.0000   0.0000  1685.45  189.598  ?   ?  0.000000 189.5980 
1 1 1   -4   10   52 o  293.041  114.776   1.5089   1.5316  -0.4064   1.9085   4.9741   2.5671  238.396  109.946  449.750  152.710 -211.3537 188.1710 
1 1 1   -4   10   54 o  414.411  168.048   5.8784   3.3983   0.0000   0.0000   5.8784   3.3983  ?   ?   414.411  168.048 0.000000 168.0477 
1 1 1   -4   10   56 f  907.865  192.605   28.761   5.3057   55.266   13.527   23.942   5.7679  425.969  214.903  650.246  228.551 -224.2770 313.7181 
1 1 1   -4   10   58 o  1084.74  391.875  221.515   17.072  258.237   26.564  195.677   22.282  ?   ?   ?   ?  0.000000      ? 
1 1 1   -4   11    1 o  2018.38  106.819   64.312   6.7269   68.699   9.5157   59.930   9.5110  2078.76  147.141  1938.51  158.065 140.2444 215.9519 
1 1 1   -4   11    3 o  2694.90  172.008  115.801   14.439  115.801   14.439   0.0000   0.0000  2694.90  172.008  ?   ?  0.000000 172.0084 
1 1 1   -4   11    5 o  478.022  137.169   3.6940   2.1604   3.6940   2.1604   0.0000   0.0000  478.022  137.169  ?   ?  0.000000 137.1691 
1 1 1   -4   11    7 o  1160.21  137.431   21.571   4.8957   21.571   4.8957   0.0000   0.0000  1160.21  137.431  ?   ?  0.000000 137.4314 
1 1 1   -4   11    9 o  1471.57  141.708   34.588   6.4490   34.588   6.4490   0.0000   0.0000  1471.57  141.708  ?   ?  0.000000 141.7081 
1 1 1   -4   11   13 o  950.413   95.619   14.372   2.8070   14.969   3.9883   13.786   3.9512  962.538  136.125  921.851  141.398 40.68646 196.2741 
1 1 1   -4   11   15 o  1792.21  148.065   51.530   8.2348   51.530   8.2348   0.0000   0.0000  1792.21  148.065  ?   ?  0.000000 148.0654 
1 1 1   -4   11   17 o  3045.59  128.622  147.676   12.266  156.070   17.351  139.291   17.342  3102.03  179.404  2923.53  190.484 178.4961 261.6675 
1 1 1   -4   11   21 o  2010.04  154.667   65.896   9.6599   65.896   9.6599   0.0000   0.0000  2010.04  154.667  ?   ?  0.000000 154.6667 
1 1 1   -4   11   23 o  1832.05  103.953   53.688   5.9388   48.362   8.3466   59.150   8.4518  1715.17  157.160  1905.80  142.664 -190.6293 212.2549 
1 1 1   -4   11   31 o  1174.61  146.798   23.373   5.2813   0.0000   0.0000   23.373   5.2813  ?   ?   1174.61  146.798 0.000000 146.7979 
1 1 1   -4   11   35 o  618.794  158.425   6.7236   3.0828   0.0000   0.0000   6.7236   3.0828  ?   ?   618.794  158.425 0.000000 158.4250 
1 1 1   -4   11   39 o  2176.80  168.047   82.519   11.366   0.0000   0.0000   82.519   11.366  ?   ?   2176.80  168.047 0.000000 168.0471 
1 1 1   -4   11   41 o  1641.76  105.632   44.437   5.4014   42.546   7.6392   46.328   7.6383  1558.43  158.764  1634.87  150.913 -76.44263 219.0453 
1 1 1   -4   11   43 o  2981.62  134.313  151.813   12.540  138.507   17.720  165.162   17.748  2681.55  212.787  2982.79  191.024 -301.2363 285.9519 
1 1 1   -4   11   45 o  1369.57  152.510   33.596   6.4292   33.596   6.4292   0.0000   0.0000  1369.57  152.510  ?   ?  0.000000 152.5096 
1 1 1   -4   11   47 o  2202.36  119.471   84.504   8.2080   84.014   11.589   84.998   11.627  2066.72  180.896  2080.21  180.290 -13.48364 255.3972 
1 1 1   -4   11   49 o  930.480  109.796   15.572   3.1374   14.008   4.3133   17.330   4.5718  805.306  175.970  912.596  166.109 -107.2903 241.9866 
1 1 1   -4   11   51 o  447.602  131.850   4.2246   1.9728   2.6033   2.6076   6.3950   3.0170  362.137  147.081  511.276  165.294 -149.1385 221.2576 
1 1 1   -4   11   53 o  957.149  174.032   23.852   5.0237   36.323   12.498   21.448   5.4865  525.874  253.606  810.004  213.352 -284.1299 331.4144 
1 1 1   -4   11   55 o  280.635  130.850   1.0099   2.8181 -10.8752   12.276   1.6710   2.8954  ?   ?   295.423  135.945 0.000000 135.9450 
1 1 1   -4   11   57 o  554.242  200.659   16.089   4.4796   44.540   13.238   12.410   4.7604  ?   ?   424.246  186.270 0.000000 186.2701 
1 1 1   -4   11   59 o  408.643  181.577   15.420   4.6543   26.041   14.477   14.196   4.9152  ?   ?   366.444  171.499 0.000000 171.4991 
1 1 1   -4   12    2 o  5036.06  181.399  403.827   28.605  412.208   40.450  395.442   40.458  5039.80  257.177  4932.08  262.920 107.7231 367.7859 
1 1 1   -4   12    4 o  2603.52  118.241  106.907   9.6393  105.988   13.627  107.827   13.637  2576.96  169.829  2599.73  168.432 -22.77344 239.1887 
1 1 1   -4   12    6 o  1618.35  100.824   41.390   5.0838   44.849   7.1866   37.926   7.1926  1678.26  137.979  1539.66  151.141 138.6006 204.6499 
1 1 1   -4   12    8 o  2099.86  155.087   70.376   10.125   0.0000   0.0000   70.376   10.125  ?   ?   2099.86  155.087 0.000000 155.0874 
1 1 1   -4   12   14 o  1380.60  141.383   30.669   6.0258   30.669   6.0258   0.0000   0.0000  1380.60  141.383  ?   ?  0.000000 141.3835 
1 1 1   -4   12   16 o  1670.28  101.933   44.320   5.3056   42.947   7.5062   45.692   7.5004  1630.88  148.619  1684.23  143.593 -53.35425 206.6563 
1 1 1   -4   12   20 o  724.286  101.134   8.4880   2.2311   9.1131   3.2061   7.9010   3.1066  740.301  143.492  687.039  148.721 53.26178 206.6588 
1 1 1   -4   12   22 o  1735.89  148.802   49.158   8.0100   49.158   8.0100   0.0000   0.0000  1735.89  148.802  ?   ?  0.000000 148.8020 
1 1 1   -4   12   24 o  842.151  144.245   11.804   3.6669   11.804   3.6669   0.0000   0.0000  842.151  144.245  ?   ?  0.000000 144.2454 
1 1 1   -4   12   26 o  1523.80  149.983   38.371   7.0635   0.0000   0.0000   38.371   7.0635  ?   ?   1523.80  149.983 0.000000 149.9826 
1 1 1   -4   12   28 o  1174.37  144.404   23.011   5.1982   23.011   5.1982   0.0000   0.0000  1174.37  144.404  ?   ?  0.000000 144.4043 
1 1 1   -4   12   30 o  668.099  108.318   7.3901   2.1884   3.5626   2.9621   11.990   3.2472  473.997  163.943  847.829  126.162 -373.8318 206.8677 
1 1 1   -4   12   34 o  627.036  163.847   6.8742   3.2526   0.0000   0.0000   6.8742   3.2526  ?   ?   627.036  163.847 0.000000 163.8467 
1 1 1   -4   12   36 o  1376.03  151.363   31.998   6.4139   0.0000   0.0000   31.998   6.4139  ?   ?   1376.03  151.363 0.000000 151.3627 
1 1 1   -4   12   38 o  811.466  163.904   11.563   4.0212   0.0000   0.0000   11.563   4.0212  ?   ?   811.466  163.904 0.000000 163.9039 
1 1 1   -4   12   42 o  1813.64  162.087   57.802   9.1079   0.0000   0.0000   57.802   9.1079  ?   ?   1813.64  162.087 0.000000 162.0873 
1 1 1   -4   12   46 o  871.745  171.575   14.511   4.5166   0.0000   0.0000   14.511   4.5166  ?   ?   871.745  171.575 0.000000 171.5753 
1 1 1   -4   12   48 o  1852.23  135.516   63.727   7.8051   68.055   13.469   61.538   9.5771  1555.52  287.097  1721.26  180.373 -165.7373 339.0566 
1 1 1   -4   12   50 o  1370.76  134.794   37.210   5.7108   61.301   11.800   29.840   6.5260  1341.09  289.476  1115.17  193.934 225.9254 348.4347 
1 1 1   -4   12   52 o  850.039  180.983   18.478   4.6694   43.139   12.412   14.412   5.0397  672.130  297.689  659.374  213.684 12.75641 366.4419 
1 1 1   -4   12   54 o  546.258  268.613   69.861   16.041   69.861   16.041   0.0000   0.0000  546.258  268.613  ?   ?  0.000000 268.6133 
1 1 1   -4   12   56 o  475.858  192.506   11.679   4.4481  -3.0847   13.433   13.497   4.7141  ?   ?   502.876  199.969 0.000000 199.9695 
1 1 1   -4   12   58 o  588.994  260.411   57.228   9.4575   0.0000   0.0000   57.228   9.4575  ?   ?   588.994  260.411 0.000000 260.4114 
1 1 1   -4   13    1 o  3829.76  120.629  231.605   14.466  222.370   17.712  250.106   25.069  3743.55  151.100  3943.91  203.694 -200.3508 253.6190 
1 1 1   -4   13    3 o  1309.61   79.109   27.050   3.2288   28.374   3.9747   24.479   5.5366  1339.26   95.405  1234.29  146.089 104.9698 174.4823 
1 1 1   -4   13    5 o  921.657   97.872   13.526   2.7813   13.376   3.9312   13.678   3.9356  907.942  143.008  918.719  141.336 -10.77673 201.0648 
1 1 1   -4   13    7 o  1977.55  106.663   61.869   6.5804   65.002   9.3089   58.739   9.3032  2017.57  148.392  1915.24  156.496 102.3293 215.6647 
1 1 1   -4   13    9 o  2120.06  156.488   72.005   10.315   72.005   10.315   0.0000   0.0000  2120.06  156.488  ?   ?  0.000000 156.4884 
1 1 1   -4   13   11 o  916.564   97.374   13.402   2.7518   14.724   3.8824   12.068   3.9010  953.852  133.658  857.932  150.711 95.91931 201.4403 
1 1 1   -4   13   13 o  733.979  101.533   8.6738   2.2710   9.3253   3.2698   8.0667   3.1565  752.414  144.033  697.731  149.010 54.68353 207.2425 
1 1 1   -4   13   15 f  1285.32  141.984   26.733   5.6190   26.733   5.6190   0.0000   0.0000  1285.32  141.984  ?   ?  0.000000 141.9841 
1 1 1   -4   13   23 o  2328.49  167.098   89.247   12.102   0.0000   0.0000   89.247   12.102  ?   ?   2328.49  167.098 0.000000 167.0978 
1 1 1   -4   13   25 o  420.182  125.191   2.8919   1.7705   3.1878   2.2488   2.4094   2.8717  445.607  142.568  428.272  159.694 17.33405 214.0743 
1 1 1   -4   13   27 o  1075.80  147.409   19.334   4.8350   19.334   4.8350   0.0000   0.0000  1075.80  147.409  ?   ?  0.000000 147.4087 
1 1 1   -4   13   29 o  711.698  113.512   8.3758   2.4446   8.2933   3.2861   8.4781   3.6583  694.239  155.077  697.510  169.225 -3.271729 229.5340 
1 1 1   -4   13   31 o  832.695  152.040   11.806   3.8182   11.806   3.8182   0.0000   0.0000  832.695  152.040  ?   ?  0.000000 152.0395 
1 1 1   -4   13   33 o  1271.47  147.116   26.999   5.7489   26.999   5.7489   0.0000   0.0000  1271.47  147.116  ?   ?  0.000000 147.1157 
1 1 1   -4   13   35 o  1569.96  150.405   41.236   7.3033   41.236   7.3033   0.0000   0.0000  1569.96  150.405  ?   ?  0.000000 150.4050 
1 1 1   -4   13   37 o  901.495  108.256   13.342   2.9947   12.377   4.0733   14.477   4.4180  845.880  159.641  916.369  159.782 -70.48816 225.8663 
1 1 1   -4   13   41 o  1428.88  157.469   35.360   6.9284   0.0000   0.0000   35.360   6.9284  ?   ?   1428.88  157.469 0.000000 157.4685 
1 1 1   -4   13   43 o  2479.39  134.361  104.337   10.392  105.863   16.138  103.257   13.584  2347.21  222.220  2389.45  182.943 -42.24463 287.8364 
1 1 1   -4   13   45 o  1129.39  144.813   22.654   5.0032   33.329   11.107   19.937   5.6040  1156.89  303.008  1026.30  180.998 130.5972 352.9507 
1 1 1   -4   13   47 o  968.051  155.788   17.926   4.5621   39.202   10.716   13.216   5.0418  1196.12  289.274  773.359  204.918 422.7598 354.5013 
1 1 1   -4   13   49 o  854.682  337.470   41.484   13.338   41.484   13.338   0.0000   0.0000  854.682  337.470  ?   ?  0.000000 337.4698 
1 1 1   -4   13   51 o  1000.99  372.024   76.251   15.560   76.251   15.560   0.0000   0.0000  1000.99  372.024  ?   ?  0.000000 372.0236 
1 1 1   -4   13   53 o  419.395  211.645   16.315   13.172   16.315   13.172   0.0000   0.0000  419.395  211.645  ?   ?  0.000000 211.6451 
1 1 1   -4   13   55 o  456.384  193.977   10.339   4.8400   0.0000   0.0000   10.339   4.8400  ?   ?   456.384  193.977 0.000000 193.9769 
1 1 1   -4   13   57 o  275.080  134.926   1.0119   3.9678   0.0000   0.0000   1.0119   3.9678  ?   ?   275.080  134.926 0.000000 134.9263 
1 1 1   -4   14    2 o  1303.04   81.756   26.814   3.3188   26.758   4.0404   26.932   5.8190  1298.85  100.118  1293.78  146.204 5.072754 177.1982 
1 1 1   -4   14    4 o  2415.87   94.472   91.979   7.1465   87.611   8.7492  100.736   12.388  2350.31  119.275  2508.65  158.519 -158.3413 198.3806 
1 1 1   -4   14    6 o  623.120   90.821   6.2438   1.7199   6.9061   2.1671   5.1165   2.8273  652.419  109.990  558.320  155.801 94.09973 190.7137 
1 1 1   -4   14    8 o  395.576  129.296   2.3927   1.8435   2.3927   1.8435   0.0000   0.0000  395.576  129.296  ?   ?  0.000000 129.2961 
1 1 1   -4   14   10 o  509.192  109.974   4.2588   1.7022   4.7862   2.2445   3.5450   2.6113  538.133  133.779  476.689  153.745 61.44461 203.8001 
1 1 1   -4   14   12 o  1328.46   98.804   28.047   4.0806   31.194   5.7625   24.883   5.7791  1393.15  133.742  1237.85  152.312 155.3018 202.6963 
1 1 1   -4   14   14 o  781.340  145.547   10.072   3.4299   0.0000   0.0000   10.072   3.4299  ?   ?   781.340  145.547 0.000000 145.5467 
1 1 1   -4   14   16 o  468.171  143.480   3.5271   2.3023   0.0000   0.0000   3.5271   2.3023  ?   ?   468.171  143.480 0.000000 143.4800 
1 1 1   -4   14   18 f  1297.20   98.567   26.815   3.9737   29.862   5.6726   23.880   5.5682  1359.31  135.061  1209.48  150.265 149.8286 202.0426 
1 1 1   -4   14   20 o  585.362  154.053   5.7407   2.8620   5.7407   2.8620   0.0000   0.0000  585.362  154.053  ?   ?  0.000000 154.0530 
1 1 1   -4   14   26 o  2484.94  172.277  103.214   13.322  103.214   13.322   0.0000   0.0000  2484.94  172.277  ?   ?  0.000000 172.2769 
1 1 1   -4   14   28 o  1063.78  150.244   18.930   4.8653   18.930   4.8653   0.0000   0.0000  1063.78  150.244  ?   ?  0.000000 150.2441 
1 1 1   -4   14   30 o  1531.72  104.559   37.796   4.9849   37.237   6.9558   38.387   7.1475  1498.27  150.291  1520.34  152.184 -22.07813 213.8862 
1 1 1   -4   14   34 o  1479.41   87.408   35.003   4.0311   37.008   5.1262   31.756   6.5253  1512.65  108.959  1378.88  153.750 133.7715 188.4438 
1 1 1   -4   14   36 o  2476.27  127.374  100.424   9.8429  100.424   9.8429   0.0000   0.0000  2476.27  127.374  ?   ?  0.000000 127.3743 
1 1 1   -4   14   38 o  3124.95  106.067  158.157   10.379  156.350   12.885  161.496   17.514  3076.97  133.731  3053.31  184.050 23.65649 227.5048 
1 1 1   -4   14   40 f  2881.26  124.130  136.860   11.199  136.860   11.199   0.0000   0.0000  2881.26  124.130  ?   ?  0.000000 124.1304 
1 1 1   -4   14   42 o  839.078  145.552   12.206   3.6855   12.206   3.6855   0.0000   0.0000  839.078  145.552  ?   ?  0.000000 145.5523 
1 1 1   -4   14   44 o  2285.90   97.871   85.873   7.0053   86.118   8.8956   85.474   11.367  2250.75  126.737  2178.95  167.890 71.80444 210.3546 
1 1 1   -4   14   46 o  1268.94  146.796   29.513   5.7251   48.633   12.278   24.201   6.4718  1367.06  295.441  1088.70  197.100 278.3496 355.1533 
1 1 1   -4   14   48 o  675.689  292.147   20.504   11.335   20.504   11.335   0.0000   0.0000  675.689  292.147  ?   ?  0.000000 292.1468 
1 1 1   -4   14   54 o  846.104  259.988   32.791   7.5537   0.0000   0.0000   32.791   7.5537  ?   ?   846.104  259.988 0.000000 259.9877 
1 1 1   -4   14   56 o  ?   ?  -17.4338   12.457 -17.4338   12.457   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -4   15    1 o  1713.56   86.904   46.373   4.6476   44.379   5.7046   50.308   8.0150  1671.93  109.572  1771.50  145.786 -99.56921 182.3725 
1 1 1   -4   15    3 o  905.148   85.120   13.016   2.3842   12.620   2.9714   13.731   3.9949  886.951  109.301  918.287  143.641 -31.33600 180.4979 
1 1 1   -4   15    5 o  1808.56   85.686   51.529   4.8524   49.591   5.9915   55.222   8.2722  1767.66  108.777  1856.71  143.398 -89.04785 179.9868 
1 1 1   -4   15    7 o  832.144  105.548   11.117   2.6884   14.877   3.7440   7.1160   3.8626  959.839  127.745  654.743  181.895 305.0966 222.2715 
1 1 1   -4   15    9 f  865.385  100.943   11.991   2.6839   12.791   3.7899   11.187   3.8013  885.305  141.479  823.988  152.961 61.31744 208.3590 
1 1 1   -4   15   11 o  610.715  110.929   6.0866   2.0432   5.4398   2.8698   6.7514   2.9096  573.265  155.799  637.496  148.517 -64.23138 215.2460 
1 1 1   -4   15   13 o  229.248   95.842   0.1504   1.1507  -0.0343   1.6009   0.3478   1.6552  259.872  111.033  279.970  115.816 -20.09805 160.4424 
1 1 1   -4   15   15 o  1039.46  110.371   17.326   3.5374   21.695   6.1103   15.123   4.3384  1146.09  175.882  960.768  149.036 185.3246 230.5345 
1 1 1   -4   15   17 o  740.093  122.093   8.9449   2.7307   15.747   5.6609   6.8823   3.1174  966.073  193.878  641.311  156.598 324.7616 249.2220 
1 1 1   -4   15   19 o  654.665  106.130   6.9762   2.1011   6.3258   2.7620   7.8696   3.2369  615.146  145.648  685.332  154.529 -70.18622 212.3495 
1 1 1   -4   15   21 o  804.577   98.118   10.428   2.4207   10.799   3.1585   9.9003   3.7685  811.177  128.644  766.759  162.036 44.41821 206.8935 
1 1 1   -4   15   23 o  1794.46  120.040   51.901   6.7060   42.719   10.208   58.873   8.8948  1580.32  211.596  1896.28  151.054 -315.9628 259.9809 
1 1 1   -4   15   25 o  1281.52  111.523   26.508   4.4305   34.353   7.5744   22.428   5.4625  1432.58  172.311  1162.12  153.900 270.4651 231.0331 
1 1 1   -4   15   27 o  1677.57  188.007   47.560   9.7059   47.560   9.7059   0.0000   0.0000  1677.57  188.007  ?   ?  0.000000 188.0065 
1 1 1   -4   15   29 o  592.409  156.240   5.9547   2.9398   5.9547   2.9398   0.0000   0.0000  592.409  156.240  ?   ?  0.000000 156.2398 
1 1 1   -4   15   31 o  2112.84  123.398   72.179   8.1283   72.179   8.1283   0.0000   0.0000  2112.84  123.398  ?   ?  0.000000 123.3982 
1 1 1   -4   15   33 o  2934.83  127.826  139.481   11.747  139.481   11.747   0.0000   0.0000  2934.83  127.826  ?   ?  0.000000 127.8264 
1 1 1   -4   15   35 o  1916.28   92.903   58.676   5.5745   59.487   6.9741   57.240   9.2766  1915.08  116.861  1849.45  161.816 65.63123 199.6022 
1 1 1   -4   15   37 o  1933.94   95.576   59.997   5.7878   58.984   7.3096   61.700   9.4761  1898.77  123.617  1915.41  159.446 -16.63989 201.7526 
1 1 1   -4   15   39 o  589.818  157.861   6.0577   2.9730   6.0577   2.9730   0.0000   0.0000  589.818  157.861  ?   ?  0.000000 157.8607 
1 1 1   -4   15   41 o  1290.49  100.799   27.148   4.0408   26.895   5.1591   27.551   6.4994  1266.90  131.990  1256.86  169.466 10.03918 214.8026 
1 1 1   -4   15   43 o  1132.31  103.260   21.203   3.6209   24.797   4.6530   15.686   5.7654  1211.10  124.469  901.792  208.364 309.3071 242.7100 
1 1 1   -4   15   45 o  1594.43  135.785   44.898   6.7146   44.898   6.7146   0.0000   0.0000  1594.43  135.785  ?   ?  0.000000 135.7850 
1 1 1   -4   15   47 o  700.234  183.479   10.444   4.0714   10.444   4.0714   0.0000   0.0000  700.234  183.479  ?   ?  0.000000 183.4790 
1 1 1   -4   15   49 o  447.237  166.239   4.2852   3.1070   4.2852   3.1070   0.0000   0.0000  447.237  166.239  ?   ?  0.000000 166.2386 
1 1 1   -4   15   51 f  797.874  173.501   14.882   4.2111   14.882   4.2111   0.0000   0.0000  797.874  173.501  ?   ?  0.000000 173.5014 
1 1 1   -4   15   53 o  1242.40  195.605   42.292   7.3580   77.495   15.543   32.124   8.3533  809.581  345.933  812.262  275.472 -2.681152 442.2149 
1 1 1   -4   15   55 o  475.240  239.645   61.601   16.707   61.601   16.707   0.0000   0.0000  475.240  239.645  ?   ?  0.000000 239.6454 
1 1 1   -4   16    2 o  1770.04  155.283   50.392   8.5195   0.0000   0.0000   50.392   8.5195  ?   ?   1770.04  155.283 0.000000 155.2825 
1 1 1   -4   16    4 o  1899.52  109.557   57.243   6.4887   62.087   9.2034   52.456   9.1496  1967.34  150.543  1803.32  163.823 164.0142 222.4882 
1 1 1   -4   16    6 o  1834.85  108.077   53.415   6.1820   58.209   8.7861   48.715   8.6998  1904.87  148.477  1737.60  161.756 167.2694 219.5686 
1 1 1   -4   16    8 o  485.102  150.882   3.7439   2.5353   6.5813   4.9972   2.7604   2.9421  646.610  212.953  451.193  162.731 195.4173 268.0114 
1 1 1   -4   16   10 o  889.516   89.874   12.604   2.4689   14.611   3.1572   9.4440   3.9612  955.176  107.423  752.153  171.941 203.0225 202.7398 
1 1 1   -4   16   12 o  451.364  118.731   3.3499   1.7006   4.0857   2.2464   2.3622   2.6027  498.818  138.765  421.000  152.869 77.81808 206.4576 
1 1 1   -4   16   14 o  460.471  193.479   0.7333   4.7262   0.7333   4.7262   0.0000   0.0000  460.471  193.479  ?   ?  0.000000 193.4787 
1 1 1   -4   16   16 o  558.686  114.728   5.1361   1.9398   4.0125   2.6479   6.4379   2.8500  499.157  154.021  621.378  148.500 -122.2207 213.9499 
1 1 1   -4   16   18 o  406.546  153.887   1.9730   2.6879   18.343   5.6193  -2.8838   3.0608  1048.62  177.469  289.978  135.592 758.6456 223.3400 
1 1 1   -4   16   20 o  1047.08  122.637   17.764   3.9447   17.764   3.9447   0.0000   0.0000  1047.08  122.637  ?   ?  0.000000 122.6371 
1 1 1   -4   16   22 o  1802.24  116.793   52.162   6.5554   50.890   10.032   53.111   8.6600  1746.93  186.274  1801.68  155.015 -54.75391 242.3379 
1 1 1   -4   16   24 o  1398.06  112.002   31.424   4.8619   38.175   8.0710   27.579   6.0911  1515.94  173.136  1294.31  153.271 221.6316 231.2311 
1 1 1   -4   16   26 o  1840.55   93.168   53.925   5.3520   58.890   6.7404   45.453   8.8042  1916.40  112.824  1656.40  172.269 260.0063 205.9269 
1 1 1   -4   16   28 o  665.301  147.924   7.4377   3.0018   14.219   6.6353   5.6927   3.3659  897.569  233.770  583.302  172.335 314.2672 290.4268 
1 1 1   -4   16   30 o  1890.69  108.670   57.260   6.4064   60.524   9.0972   54.048   9.0234  1923.51  152.286  1812.70  160.637 110.8046 221.3492 
1 1 1   -4   16   32 o  1787.97   94.620   51.019   5.2785   52.711   6.6870   48.222   8.5980  1807.69  118.800  1706.80  162.855 100.8944 201.5821 
1 1 1   -4   16   34 o  2230.21  123.589   80.596   8.5969   80.596   8.5969   0.0000   0.0000  2230.21  123.589  ?   ?  0.000000 123.5886 
1 1 1   -4   16   36 o  639.561  160.734   7.0441   3.2151   7.0441   3.2151   0.0000   0.0000  639.561  160.734  ?   ?  0.000000 160.7339 
1 1 1   -4   16   38 o  2215.63  125.394   80.239   8.6638   80.239   8.6638   0.0000   0.0000  2215.63  125.394  ?   ?  0.000000 125.3942 
1 1 1   -4   16   40 o  3002.11  133.435  148.915   12.543  148.915   12.543   0.0000   0.0000  3002.11  133.435  ?   ?  0.000000 133.4346 
1 1 1   -4   16   42 o  1801.33  114.243   53.712   6.4104   53.780   8.8000   53.635   9.3571  1755.88  161.877  1739.89  174.088 15.99207 237.7200 
1 1 1   -4   16   44 o  539.878  159.116   5.4103   2.8725   6.9246   3.5081   2.3295   5.0038  601.295  175.451  463.889  197.201 137.4065 263.9535 
1 1 1   -4   16   46 o  1100.09  170.365   23.627   5.6787   23.627   5.6787   0.0000   0.0000  1100.09  170.365  ?   ?  0.000000 170.3648 
1 1 1   -4   16   48 o  346.019  146.270   1.3648   2.7277   1.3648   2.7277   0.0000   0.0000  346.019  146.270  ?   ?  0.000000 146.2701 
1 1 1   -4   16   50 o  498.207  176.433   5.9475   3.4431   5.9475   3.4431   0.0000   0.0000  498.207  176.433  ?   ?  0.000000 176.4329 
1 1 1   -4   16   52 o  326.204  143.021   1.4353   2.7977   1.4353   2.7977   0.0000   0.0000  326.204  143.021  ?   ?  0.000000 143.0208 
1 1 1   -4   16   54 o  348.433  151.129   2.7872   3.0526   2.7872   3.0526   0.0000   0.0000  348.433  151.129  ?   ?  0.000000 151.1292 
1 1 1   -4   17    1 o  1256.67  154.411   25.555   5.9481   0.0000   0.0000   25.555   5.9481  ?   ?   1256.67  154.411 0.000000 154.4111 
1 1 1   -4   17    3 o  2078.16  112.115   68.499   7.2686   79.884   10.687   58.699   9.9150  2232.47  153.820  1907.75  167.681 324.7145 227.5468 
1 1 1   -4   17    5 o  397.071  149.628   1.8611   2.5341   4.1478   4.9097   1.0307   2.9586  564.667  209.153  386.672  156.799 177.9945 261.4018 
1 1 1   -4   17    7 o  1227.06  191.975   24.836   7.1344   24.836   7.1344   0.0000   0.0000  1227.06  191.975  ?   ?  0.000000 191.9753 
1 1 1   -4   17    9 o  996.563   98.921   15.835   3.0460   17.254   3.9294   13.697   4.8218  1035.71  123.604  908.506  175.854 127.2033 214.9478 
1 1 1   -4   17   11 o  596.157  127.582   5.8593   2.3096   7.9240   3.0957   3.2672   3.4686  691.734  147.433  488.935  176.639 202.7986 230.0817 
1 1 1   -4   17   13 o  941.370  121.027   14.302   3.4848   18.420   6.1229   12.329   4.2383  1049.86  193.380  862.609  162.883 187.2520 252.8368 
1 1 1   -4   17   15 o  1041.39   89.701   17.256   2.8965   16.226   3.7342   18.812   4.5891  1002.79  121.398  1076.04  139.484 -73.25250 184.9139 
1 1 1   -4   17   17 o  650.339  108.130   6.8894   2.1246   6.4313   2.8533   7.4595   3.1830  620.399  148.795  667.515  155.222 -47.11523 215.0204 
1 1 1   -4   17   19 o  585.536  161.118   5.7305   3.0469   17.263   6.2491   2.1340   3.4898  1006.04  205.324  445.940  173.640 560.1025 268.9035 
1 1 1   -4   17   21 o  660.782  118.734   7.1702   2.3664   4.9061   2.9891   10.972   3.8734  545.538  162.690  810.373  158.327 -264.8348 227.0142 
1 1 1   -4   17   23 o  804.025  154.845   10.778   3.7570   7.1085   6.7788   12.405   4.5136  685.177  247.027  858.321  173.898 -173.1444 302.0981 
1 1 1   -4   17   25 o  1291.03   95.218   26.554   3.8221   29.899   4.9080   21.399   6.0924  1364.90  115.936  1133.34  177.503 231.5654 212.0107 
1 1 1   -4   17   27 o  1872.28  117.160   56.130   6.8340   62.372   10.710   51.844   8.8755  1946.83  177.652  1781.61  160.832 165.2163 239.6398 
1 1 1   -4   17   29 o  380.449  136.343   2.0039   2.0620   0.8366   2.8811   3.2297   2.9525  373.101  153.412  467.923  163.572 -94.82257 224.2566 
1 1 1   -4   17   31 o  1733.68  108.442   48.147   5.8573   53.171   8.3094   43.184   8.2578  1804.93  148.337  1617.40  165.380 187.5366 222.1583 
1 1 1   -4   17   33 o  809.879  116.516   10.724   2.8697   6.9102   3.8854   15.301   4.2567  636.388  184.346  960.202  146.191 -323.8135 235.2768 
1 1 1   -4   17   35 o  944.273  110.277   14.485   3.1992   13.744   4.2018   15.509   4.9347  904.439  153.880  954.859  171.342 -50.41980 230.2982 
1 1 1   -4   17   37 o  1436.40  100.400   33.196   4.4873   34.591   5.8412   31.187   7.0094  1453.62  129.694  1359.82  168.206 93.79651 212.4002 
1 1 1   -4   17   39 o  772.497  184.591   10.579   4.4041   10.579   4.4041   0.0000   0.0000  772.497  184.591  ?   ?  0.000000 184.5908 
1 1 1   -4   17   41 o  695.400  185.017   8.8411   4.0992   8.8411   4.0992   0.0000   0.0000  695.400  185.017  ?   ?  0.000000 185.0169 
1 1 1   -4   17   43 o  856.046  163.331   13.367   4.2183   13.367   4.2183   0.0000   0.0000  856.046  163.331  ?   ?  0.000000 163.3305 
1 1 1   -4   17   45 o  290.282  132.756  -1.0556   2.7033  -1.0556   2.7033   0.0000   0.0000  290.282  132.756  ?   ?  0.000000 132.7559 
1 1 1   -4   17   47 o  464.578  173.539   4.2265   3.3942   4.2265   3.3942   0.0000   0.0000  464.578  173.539  ?   ?  0.000000 173.5391 
1 1 1   -4   17   49 o  963.494  166.045   19.349   4.8286   19.349   4.8286   0.0000   0.0000  963.494  166.045  ?   ?  0.000000 166.0454 
1 1 1   -4   17   51 o  961.270  186.323   21.889   5.4058   21.889   5.4058   0.0000   0.0000  961.270  186.323  ?   ?  0.000000 186.3232 
1 1 1   -4   17   53 o  583.700  190.749   9.9702   4.0124   9.9702   4.0124   0.0000   0.0000  583.700  190.749  ?   ?  0.000000 190.7494 
1 1 1   -4   18    2 o  1419.58  114.289   32.088   5.0372   43.361   7.8224   24.102   6.5839  1641.50  153.989  1213.03  178.693 428.4760 235.8893 
1 1 1   -4   18    4 o  794.799  113.606   10.192   2.7469   14.117   3.5488   4.3262   4.3384  935.698  124.193  554.326  197.860 381.3727 233.6077 
1 1 1   -4   18    6 o  454.098  161.473   2.8710   2.8868   2.8710   2.8868   0.0000   0.0000  454.098  161.473  ?   ?  0.000000 161.4726 
1 1 1   -4   18    8 o  1746.31  114.932   48.512   6.2495   49.038   9.3636   48.090   8.3922  1738.23  174.386  1726.98  156.905 11.24805 234.5841 
1 1 1   -4   18   10 o  832.934  147.946   11.399   3.7173   6.6250   6.3770   13.856   4.5749  672.495  239.902  915.784  165.637 -243.2892 291.5278 
1 1 1   -4   18   12 o  1938.28  118.619   59.874   7.1646   57.374   10.763   61.864   9.6008  1873.44  185.932  1957.23  158.004 -83.79443 243.9998 
1 1 1   -4   18   14 o  1189.67   96.591   22.524   3.5671   23.412   4.6440   21.248   5.5708  1206.65  124.711  1138.96  160.666 67.69067 203.3874 
1 1 1   -4   18   16 o  894.214  133.427   13.032   3.6216   16.284   6.8014   11.746   4.2787  973.825  227.205  838.875  168.737 134.9498 283.0091 
1 1 1   -4   18   18 o  1543.69  116.413   38.096   5.5856   47.554   8.6898   31.438   7.2914  1709.19  164.398  1384.12  171.941 325.0632 237.8870 
1 1 1   -4   18   20 o  610.628  168.863   6.2164   3.3371   0.7267   6.2365   8.4188   3.9502  519.153  220.409  707.027  178.425 -187.8742 283.5761 
1 1 1   -4   18   22 o  913.448  134.244   13.593   3.7251   13.593   3.7251   0.0000   0.0000  913.448  134.244  ?   ?  0.000000 134.2438 
1 1 1   -4   18   24 o  1823.27  125.646   53.221   7.1295   44.506   11.138   59.271   9.2797  1627.22  224.579  1913.37  156.252 -286.1475 273.5878 
1 1 1   -4   18   26 o  1511.60   98.382   36.336   4.6313   34.900   5.9096   38.621   7.4558  1473.00  129.440  1540.86  156.713 -67.85901 203.2575 
1 1 1   -4   18   28 o  1587.57  129.845   40.579   6.3982   31.765   10.561   45.690   8.0420  1348.38  259.558  1675.69  155.025 -327.3053 302.3297 
1 1 1   -4   18   30 o  543.177  179.087   4.6823   3.5338   5.4654   8.1249   4.4996   3.9245  670.820  263.860  544.074  188.675 126.7460 324.3772 
1 1 1   -4   18   32 o  2307.44  170.895   87.691   12.260   0.0000   0.0000   87.691   12.260  ?   ?   2307.44  170.895 0.000000 170.8946 
1 1 1   -4   18   34 o  1124.74  115.278   20.468   4.0026   18.897   5.7245   21.970   5.5985  1056.65  179.437  1149.38  159.887 -92.73169 240.3362 
1 1 1   -4   18   36 o  166.330   82.854  -4.3684   1.7195  -5.1382   2.4257  -3.5910   2.4377  209.419  103.262  233.428  112.434 -24.00896 152.6579 
1 1 1   -4   18   38 o  2076.70   98.068   69.142   6.3770   75.736   8.1481   58.719   10.245  2157.22  121.117  1857.77  178.303 299.4446 215.5486 
1 1 1   -4   18   40 o  1315.07  140.005   29.148   5.6765   35.079   11.162   27.079   6.5927  1318.55  279.057  1243.94  174.020 74.61047 328.8710 
1 1 1   -4   18   42 f  2144.83  102.901   75.662   6.9108   82.720   8.8402   64.569   11.082  2210.61  128.264  1868.05  192.204 342.5618 231.0714 
1 1 1   -4   18   44 o  480.840  179.416   4.0352   3.6260   4.0352   3.6260   0.0000   0.0000  480.840  179.416  ?   ?  0.000000 179.4162 
1 1 1   -4   18   46 o  756.820  191.103   11.963   4.5296   11.963   4.5296   0.0000   0.0000  756.820  191.103  ?   ?  0.000000 191.1027 
1 1 1   -4   18   48 o  736.676  190.290   11.987   4.4204   11.987   4.4204   0.0000   0.0000  736.676  190.290  ?   ?  0.000000 190.2901 
1 1 1   -4   18   50 o  432.270  173.490   3.9251   3.5817   3.9251   3.5817   0.0000   0.0000  432.270  173.490  ?   ?  0.000000 173.4898 
1 1 1   -4   18   52 f  981.897  210.912   25.852   6.2911   25.852   6.2911   0.0000   0.0000  981.897  210.912  ?   ?  0.000000 210.9116 
1 1 1   -4   19    1 o  299.451  140.849  -3.5628   3.3867  -3.5628   3.3867   0.0000   0.0000  299.451  140.849  ?   ?  0.000000 140.8494 
1 1 1   -4   19    3 o  855.942  155.395   12.047   4.0115   12.582   6.1614   11.653   5.2850  862.244  225.606  832.105  204.333 30.13885 304.3846 
1 1 1   -4   19    5 o  256.730  121.057  -2.7967   2.5305  -2.7967   2.5305   0.0000   0.0000  256.730  121.057  ?   ?  0.000000 121.0565 
1 1 1   -4   19    7 o  1365.76   94.730   29.573   4.0261   31.659   5.0901   26.086   6.5802  1408.97  116.415  1264.15  170.592 144.8281 206.5287 
1 1 1   -4   19    9 o  996.681  103.880   15.869   3.1943   18.691   4.1478   11.758   5.0075  1078.06  125.207  836.363  194.829 241.6923 231.5929 
1 1 1   -4   19   11 o  577.898  141.599   5.5341   2.5422   8.4537   3.4445   2.0411   3.7676  713.122  158.379  457.080  179.714 256.0419 239.5433 
1 1 1   -4   19   13 o  739.043  159.732   9.0781   3.5886   13.551   6.6759   7.2605   4.2557  891.179  235.638  662.279  193.244 228.9003 304.7434 
1 1 1   -4   19   15 o  853.557  152.979   11.990   3.9385   3.3613   7.0809   15.855   4.7392  607.391  243.877  982.891  159.450 -375.5001 291.3764 
1 1 1   -4   19   17 o  689.113  173.938   7.9359   3.7535   1.0958   6.5339   11.305   4.5857  540.542  227.326  821.683  182.932 -281.1418 291.7898 
1 1 1   -4   19   19 o  2155.35  121.992   73.957   8.1994   73.600   12.207   74.249   11.068  2127.51  185.088  2144.62  166.108 -17.11572 248.6956 
1 1 1   -4   19   21 o  634.891  179.787   6.6788   3.7362   2.7326   7.1495   8.1613   4.3822  595.800  242.937  698.912  193.591 -103.1123 310.6376 
1 1 1   -4   19   23 o  2054.80  125.800   67.365   8.0551   62.031   12.340   71.325   10.633  1941.04  206.189  2101.52  162.857 -160.4794 262.7472 
1 1 1   -4   19   25 f  1078.39  108.678   18.613   3.6197   18.095   4.6727   19.390   5.7239  1054.14  145.436  1083.24  174.696 -29.09875 227.3114 
1 1 1   -4   19   27 f  1588.73   98.905   40.115   4.8958   37.059   6.1996   45.178   7.9802  1517.94  131.741  1669.23  154.430 -151.2896 202.9890 
1 1 1   -4   19   29 o  719.810  151.079   8.6408   3.2966   11.143   4.5698   5.9252   4.7604  811.241  184.115  614.433  207.957 196.8076 277.7486 
1 1 1   -4   19   31 o  2103.12  117.892   70.803   7.7323   76.569   10.921   65.009   10.949  2166.57  162.163  1987.34  177.827 179.2319 240.6641 
1 1 1   -4   19   33 o  805.174  147.831   10.788   3.5898   9.9863   4.8944   11.722   5.2810  761.462  201.965  823.542  205.466 -62.08044 288.1080 
1 1 1   -4   19   35 o  2456.93  139.477   98.091   10.686   98.091   10.686   0.0000   0.0000  2456.93  139.477  ?   ?  0.000000 139.4775 
1 1 1   -4   19   37 o  1124.88  114.162   20.590   3.9654   22.395   5.1451   17.949   6.2232  1160.89  144.684  1009.50  203.895 151.3834 250.0133 
1 1 1   -4   19   39 f  455.762  181.372   2.3863   3.8807  -1.6461   10.048   3.0933   4.2072  563.377  256.987  487.785  190.455 75.59174 319.8682 
1 1 1   -4   19   41 o  613.234  159.279   6.7596   3.0859   7.5200   4.0023   5.6449   4.8459  636.119  187.915  569.102  208.294 67.01685 280.5326 
1 1 1   -4   19   43 o  1065.17  118.903   19.334   3.8981   21.446   5.0676   16.273   6.1005  1096.00  151.733  892.502  219.755 203.5000 267.0490 
1 1 1   -4   19   45 o  1548.04  112.142   40.978   5.3990   45.359   7.1044   34.989   8.3064  1586.03  144.644  1303.11  210.766 282.9135 255.6252 
1 1 1   -4   19   47 o  892.293  137.954   14.699   3.7301   17.108   4.8848   11.330   5.7771  922.914  175.444  678.367  229.092 244.5480 288.5545 
1 1 1   -4   19   49 o  557.221  169.140   6.6639   3.2098   2.2340   4.1584   13.193   5.0487  405.164  176.064  739.213  208.876 -334.0486 273.1808 
1 1 1   -4   19   51 o  754.598  207.047   14.757   5.0399   14.757   5.0399   0.0000   0.0000  754.598  207.047  ?   ?  0.000000 207.0467 
1 1 1   -4   20    2 o  769.897  164.588   9.8168   3.8475   9.8168   3.8475   0.0000   0.0000  769.897  164.588  ?   ?  0.000000 164.5879 
1 1 1   -4   20    4 o  387.384  158.335   0.9043   3.0462   0.9043   3.0462   0.0000   0.0000  387.384  158.335  ?   ?  0.000000 158.3351 
1 1 1   -4   20    6 o  1210.71  128.660   23.491   4.8028   23.491   4.8028   0.0000   0.0000  1210.71  128.660  ?   ?  0.000000 128.6602 
1 1 1   -4   20    8 f  561.813  161.621   5.1576   2.9958   6.4794   3.6218   2.2939   5.3310  627.152  176.811  526.674  211.558 100.4777 275.7151 
1 1 1   -4   20   10 o  974.928  158.170   15.530   4.6630   10.950   6.8938   19.392   6.3312  813.347  248.098  1082.42  193.920 -269.0709 314.8928 
1 1 1   -4   20   12 o  910.651  121.791   13.354   3.3858   14.701   4.1815   10.790   5.7700  951.123  144.988  802.672  222.071 148.4509 265.2116 
1 1 1   -4   20   14 o  315.060  134.180   0.0122   2.3244   0.0232   3.1999  -0.0001   3.3821  368.896  157.279  378.374  161.517 -9.478058 225.4430 
1 1 1   -4   20   16 o  1547.41   97.442   37.903   4.6972   40.063   5.8868   34.117   7.7929  1586.82  119.352  1449.72  175.227 137.0979 212.0123 
1 1 1   -4   20   18 o  712.114  181.113   8.4475   4.0478   5.7003   7.0945   9.7734   4.9288  667.187  250.565  764.504  202.627 -97.31689 322.2434 
1 1 1   -4   20   20 o  1444.45  128.905   33.353   5.7690   38.152   9.0990   30.127   7.4602  1526.79  194.761  1358.82  179.749 167.9724 265.0313 
1 1 1   -4   20   22 o  632.880  183.680   6.5937   3.8541   8.3891   7.2489   5.8861   4.5506  739.996  256.436  614.457  203.255 125.5389 327.2182 
1 1 1   -4   20   24 o  630.724  190.392   6.5117   4.0753   6.0748   8.0793   6.6608   4.7198  695.852  265.976  644.457  206.577 51.39484 336.7746 
1 1 1   -4   20   26 f  1006.68  139.050   16.465   4.2661   21.072   6.2220   12.377   5.8605  1128.29  182.333  852.651  218.506 275.6368 284.5879 
1 1 1   -4   20   28 o  1879.04  168.561   57.432   9.8122   0.0000   0.0000   57.432   9.8122  ?   ?   1879.04  168.561 0.000000 168.5612 
1 1 1   -4   20   30 o  2325.59  131.066   86.681   9.5053   85.709   14.520   87.410   12.574  2274.44  206.117  2314.83  174.767 -40.38989 270.2365 
1 1 1   -4   20   32 o  1920.88  134.592   59.451   8.0443   54.387   13.112   62.508   10.187  1782.79  241.055  1954.72  168.066 -171.9314 293.8602 
1 1 1   -4   20   34 o  1472.07  121.187   34.958   5.5364   45.437   7.7085   23.794   7.9567  1667.56  149.207  1169.41  225.468 498.1459 270.3672 
1 1 1   -4   20   36 o  850.566  138.864   12.060   3.5708   10.853   4.6168   13.858   5.6332  788.241  189.409  885.312  206.924 -97.07147 280.5231 
1 1 1   -4   20   38 o  838.347  146.712   11.971   3.7110   12.038   4.8473   11.875   5.7684  819.505  192.221  800.358  222.258 19.14758 293.8500 
1 1 1   -4   20   40 o  1002.38  143.156   17.224   4.3656   16.230   5.8523   18.472   6.5551  931.436  206.112  986.065  218.089 -54.62830 300.0751 
1 1 1   -4   20   42 o  1650.78  111.446   45.414   5.7269   45.838   7.2954   44.734   9.2446  1625.41  144.858  1547.25  195.154 78.15784 243.0416 
1 1 1   -4   20   44 o  892.009  333.190   24.470   12.512   24.470   12.512   0.0000   0.0000  892.009  333.190  ?   ?  0.000000 333.1904 
1 1 1   -4   20   46 o  309.820  141.846  -1.0689   3.0978  -5.3320   3.9284   5.9418   5.0377  282.623  137.680  541.472  209.238 -258.8482 250.4727 
1 1 1   -4   20   48 o  780.565  163.833   12.130   3.8767   4.8786   4.9414   23.737   6.2518  492.673  201.550  1053.36  196.781 -560.6842 281.6824 
1 1 1   -4   20   50 o  700.849  236.236   14.195   6.1429   42.287   15.095   8.6194   6.7248  803.442  342.054  542.256  229.470 261.1860 411.8949 
1 1 1   -4   21    1 o  1289.73  102.420   26.367   4.1021   27.200   5.0841   24.815   6.9440  1306.04  125.878  1233.52  185.527 72.51538 224.1996 
1 1 1   -4   21    3 o  1149.43  218.519   21.926   7.5774   21.926   7.5774   0.0000   0.0000  1149.43  218.519  ?   ?  0.000000 218.5193 
1 1 1   -4   21    5 o  461.779  160.528   3.0486   2.8417   5.7016   3.6588  -0.9847   4.5113  595.511  180.542  414.295  181.630 181.2158 256.0954 
1 1 1   -4   21    7 o  1701.52  120.079   45.940   6.3566   45.940   6.3566   0.0000   0.0000  1701.52  120.079  ?   ?  0.000000 120.0788 
1 1 1   -4   21    9 o  1566.27  124.047   38.998   6.0340   38.998   6.0340   0.0000   0.0000  1566.27  124.047  ?   ?  0.000000 124.0469 
1 1 1   -4   21   11 o  886.062  157.546   12.834   4.2109   12.834   4.2109   0.0000   0.0000  886.062  157.546  ?   ?  0.000000 157.5463 
1 1 1   -4   21   13 o  2321.73  102.110   84.938   7.4233   84.924   9.1015   84.966   12.830  2314.33  126.070  2300.22  179.551 14.11206 219.3901 
1 1 1   -4   21   15 o  1727.36   98.859   47.156   5.3249   48.853   6.7519   44.363   8.6606  1753.69  123.751  1660.20  168.953 93.49133 209.4263 
1 1 1   -4   21   17 o  2198.43   98.700   76.159   6.7943   79.548   8.5348   70.294   11.226  2239.76  122.158  2091.48  172.975 148.2761 211.7615 
1 1 1   -4   21   19 f  1632.96  124.272   42.441   6.3066   59.997   9.8980   30.443   8.1826  1932.34  165.173  1362.80  197.508 569.5356 257.4715 
1 1 1   -4   21   21 o  408.294  165.194   1.1872   3.2759  -0.5411   4.8082   2.6845   4.4754  437.000  189.607  506.133  196.760 -69.13248 273.2495 
1 1 1   -4   21   23 o  1102.19  195.946   20.151   6.5148   0.0000   0.0000   20.151   6.5148  ?   ?   1102.19  195.946 0.000000 195.9462 
1 1 1   -4   21   25 o  735.274  219.740   8.9661   5.4486   0.0000   0.0000   8.9661   5.4486  ?   ?   735.274  219.740 0.000000 219.7400 
1 1 1   -4   21   27 o  2398.39  134.641   91.891   10.071   86.468   15.462   95.886   13.271  2289.57  218.319  2433.52  175.341 -143.9534 280.0136 
1 1 1   -4   21   29 o  505.621  195.253   2.8652   4.3845   1.9904   9.3315   3.1130   4.9669  643.888  271.273  532.956  207.256 110.9322 341.3857 
1 1 1   -4   21   31 o  1372.02  146.621   30.560   6.2015   34.301   11.123   28.873   7.4704  1404.30  262.605  1319.11  186.027 85.18921 321.8185 
1 1 1   -4   21   33 o  495.475  195.690   2.5580   4.4861   6.9570   9.8034   1.3929   5.0454  734.285  289.513  485.070  201.559 249.2148 352.7655 
1 1 1   -4   21   35 o  1120.94  127.695   20.561   4.4020   20.985   5.8281   19.997   6.7169  1113.61  172.734  1069.41  208.080 44.20508 270.4334 
1 1 1   -4   21   37 o  446.111  168.750   2.6539   3.2309   1.5384   4.1387   4.3942   5.1696  443.846  183.335  556.022  212.702 -112.1757 280.8091 
1 1 1   -4   21   39 o  458.096  174.447   2.9134   3.4674   8.1555   4.4612  -5.0848   5.5106  667.746  198.670  372.592  176.571 295.1541 265.7951 
1 1 1   -4   21   41 o  740.129  166.042   9.8812   3.7534   6.8874   4.7715   14.741   6.0790  610.120  208.190  866.971  222.740 -256.8507 304.8874 
1 1 1   -4   21   43 o  536.663  211.167   4.7858   5.2056   5.5304   11.964   4.6119   5.7815  632.230  285.211  540.835  219.234 91.39569 359.7345 
1 1 1   -4   21   45 o  642.971  187.062   8.2297   3.9930   6.1329   5.1025   11.543   6.4138  559.940  212.005  711.833  241.382 -151.8925 321.2650 
1 1 1   -4   21   47 o  683.831  186.743   9.7009   4.1113   9.5271   5.2128   9.9868   6.6873  646.080  217.620  635.260  242.180 10.82001 325.5912 
1 1 1   -4   22    2 o  740.631  179.691   9.0667   4.1247   9.0667   4.1247   0.0000   0.0000  740.631  179.691  ?   ?  0.000000 179.6912 
1 1 1   -4   22    4 o  585.338  165.310   5.5807   3.1631   8.1800   4.0227   1.3704   5.1197  703.985  181.368  498.032  204.611 205.9526 273.4227 
1 1 1   -4   22    6 o  827.974  171.706   11.281   4.3056   14.833   6.8677   8.9815   5.5266  942.434  233.839  743.000  221.138 199.4338 321.8427 
1 1 1   -4   22    8 o  828.610  170.045   11.293   4.2641   11.293   4.2641   0.0000   0.0000  828.610  170.045  ?   ?  0.000000 170.0448 
1 1 1   -4   22   10 o  1363.27  133.512   29.639   5.6261   39.263   8.6188   22.493   7.4267  1560.83  179.624  1168.47  210.738 392.3634 276.9028 
1 1 1   -4   22   12 o  1422.53  130.337   32.231   5.7410   32.231   5.7410   0.0000   0.0000  1422.53  130.337  ?   ?  0.000000 130.3369 
1 1 1   -4   22   14 o  1456.68  132.776   33.820   5.9897   33.820   5.9897   0.0000   0.0000  1456.68  132.776  ?   ?  0.000000 132.7759 
1 1 1   -4   22   16 o  869.852  210.598   12.629   5.6748   12.629   5.6748   0.0000   0.0000  869.852  210.598  ?   ?  0.000000 210.5977 
1 1 1   -4   22   18 o  593.078  173.225   5.7194   3.4182   9.3661   5.1052   2.7563   4.6018  751.831  209.204  514.242  199.629 237.5899 289.1681 
1 1 1   -4   22   20 o  279.661  130.865  -2.8205   2.8602  -8.1623   4.7239   0.2711   3.5937  312.463  151.938  397.591  167.972 -85.12811 226.4943 
1 1 1   -4   22   22 o  1012.33  158.779   16.704   4.8675   7.4486   8.7365   20.871   5.8616  747.745  278.595  1130.98  170.841 -383.2352 326.8060 
1 1 1   -4   22   24 f  1246.48  151.642   25.095   5.7967   30.772   9.4877   21.714   7.3223  1357.80  231.456  1141.44  212.696 216.3655 314.3427 
1 1 1   -4   22   26 o  1590.33  143.243   40.578   7.0566   34.294   11.625   44.246   8.8798  1417.10  271.865  1651.95  174.301 -234.8462 322.9416 
1 1 1   -4   22   28 o  1479.12  146.296   35.264   6.6868   51.160   11.593   27.339   8.1857  1758.31  215.051  1279.79  211.666 478.5172 301.7437 
1 1 1   -4   22   30 o  2812.81  141.621  127.006   12.433  121.635   18.565  131.374   16.743  2705.26  221.096  2833.43  189.811 -128.1628 291.3965 
1 1 1   -4   22   32 o  931.028  194.855   14.798   5.4982   8.2739   10.046   17.588   6.5695  766.588  295.684  1009.55  214.441 -242.9670 365.2583 
1 1 1   -4   22   34 o  871.737  209.302   13.362   5.6410   3.7182   10.995   16.807   6.5719  688.720  292.535  974.758  220.477 -286.0380 366.3153 
1 1 1   -4   22   36 o  423.541  186.540  -0.5392   4.8072   13.951   10.733  -4.1755   5.3766  856.951  310.548  385.583  180.102 471.3670 358.9943 
1 1 1   -4   22   38 o  1157.45  180.272   23.428   6.3208   37.610   11.780   17.694   7.4904  1378.05  282.489  959.342  247.657 418.7059 375.6776 
1 1 1   -4   22   40 o  525.542  192.925   4.4482   4.1616   3.3290   5.7140   5.7126   6.0732  527.961  216.446  594.653  229.753 -66.69202 315.6509 
1 1 1   -4   22   42 o  818.433  216.104   13.159   5.6199   13.159   5.6199   0.0000   0.0000  818.433  216.104  ?   ?  0.000000 216.1041 
1 1 1   -4   22   44 o  1085.93  211.628   23.352   6.9374   15.950   13.679   25.916   8.0494  760.666  324.768  1114.49  237.901 -353.8262 402.5801 
1 1 1   -4   22   46 o  457.924  187.486   3.0602   4.2802   6.4163   5.5062  -2.0641   6.8039  564.503  218.581  429.013  201.098 135.4904 297.0154 
1 1 1   -4   23    1 o  959.882  131.279   14.797   3.8423   18.033   4.8173   9.1387   6.3701  1057.94  149.592  758.647  239.655 299.2941 282.5109 
1 1 1   -4   23    3 o  502.195  168.461   3.7564   3.1236   5.5759   3.8990   0.4962   5.2192  595.494  187.420  481.753  202.917 113.7415 276.2272 
1 1 1   -4   23    5 o  1654.85  102.005   43.234   5.2599   46.685   6.5220   36.814   8.8959  1716.89  122.114  1509.46  192.604 207.4197 228.0526 
1 1 1   -4   23    7 o  382.311  157.125   0.7461   3.0205   0.8901   3.7455   0.4782   5.1080  424.115  174.715  476.361  200.699 -52.24661 266.0934 
1 1 1   -4   23    9 o  1272.34  144.474   25.911   5.6538   26.359   8.9799   25.616   7.2772  1262.24  235.877  1254.91  191.244 7.328491 303.6646 
1 1 1   -4   23   11 o  839.221  176.736   11.601   4.4975   11.601   4.4975   0.0000   0.0000  839.221  176.736  ?   ?  0.000000 176.7359 
1 1 1   -4   23   13 o  1611.35  174.712   41.734   8.6740   41.734   8.6740   0.0000   0.0000  1611.35  174.712  ?   ?  0.000000 174.7123 
1 1 1   -4   23   15 o  659.455  187.407   7.1123   4.0521   2.0130   5.5642   12.871   5.9128  531.091  215.147  878.902  216.314 -347.8109 305.0904 
1 1 1   -4   23   17 f  773.333  201.808   9.9234   4.9386   9.9234   4.9386   0.0000   0.0000  773.333  201.808  ?   ?  0.000000 201.8084 
1 1 1   -4   23   19 o  1057.42  171.176   18.233   5.4740   18.233   5.4740   0.0000   0.0000  1057.42  171.176  ?   ?  0.000000 171.1763 
1 1 1   -4   23   21 o  1379.28  149.253   30.529   6.3432   30.529   6.3432   0.0000   0.0000  1379.28  149.253  ?   ?  0.000000 149.2532 
1 1 1   -4   23   23 o  1100.24  274.470   20.646   9.4246   20.646   9.4246   0.0000   0.0000  1100.24  274.470  ?   ?  0.000000 274.4698 
1 1 1   -4   23   25 o  910.541  296.252   13.615   9.6822   13.615   9.6822   0.0000   0.0000  910.541  296.252  ?   ?  0.000000 296.2523 
1 1 1   -4   23   27 o  1595.76  142.817   40.896   7.0607   42.739   12.377   40.007   8.5967  1589.28  257.532  1567.29  178.348 21.98584 313.2587 
1 1 1   -4   23   29 o  1532.19  120.192   37.566   5.7201   36.722   7.3509   38.862   9.1075  1502.87  158.603  1532.94  194.087 -30.07056 250.6488 
1 1 1   -4   23   31 o  799.601  216.701   11.046   5.5611   18.754   10.065   7.6590   6.6718  1016.21  297.381  697.894  245.765 318.3132 385.7926 
1 1 1   -4   23   33 o  851.214  180.958   12.412   4.6746   15.489   6.3683   8.8160   6.8835  937.393  220.632  725.669  249.980 211.7244 333.4191 
1 1 1   -4   23   35 o  1056.85  239.115   20.320   7.7281   0.0000   0.0000   20.320   7.7281  ?   ?   1056.85  239.115 0.000000 239.1153 
1 1 1   -4   23   37 o  859.426  225.387   13.617   6.1402   2.5318   11.979   17.567   7.1512  667.832  294.281  971.027  237.225 -303.1954 377.9905 
1 1 1   -4   23   39 o  555.099  220.001   4.2003   5.6883  -1.3142   11.386   6.0343   6.5664  594.722  272.160  618.136  238.880 -23.41321 362.1250 
1 1 1   -4   23   41 o  616.462  278.876   1.7064   11.532   1.7064   11.532   0.0000   0.0000  616.462  278.876  ?   ?  0.000000 278.8759 
1 1 1   -4   23   43 o  820.828  200.507   12.954   5.1093   18.254   6.7755   5.9689   7.7792  952.180  229.864  605.936  250.904 346.2445 340.2795 
1 1 1   -4   23   45 o  956.066  204.427   18.150   5.9345   20.589   8.4066   15.728   8.3788  936.147  271.155  803.507  275.854 132.6397 386.8082 
1 1 1   -4   24    2 o  377.149  158.025   0.3664   3.1385   4.8739   3.9803  -7.0427   5.1031  569.713  190.169  346.274  165.721 223.4394 252.2448 
1 1 1   -4   24    4 o  888.163  143.806   12.763   3.8626   13.487   4.8241   11.469   6.4475  907.497  176.120  835.317  236.051 72.18036 294.5137 
1 1 1   -4   24    6 o  1586.46  104.225   39.747   5.1487   46.707   6.4163   27.161   8.6279  1718.09  120.022  1287.04  222.117 431.0533 252.4702 
1 1 1   -4   24    8 o  815.628  236.619   10.886   6.3970   0.0000   0.0000   10.886   6.3970  ?   ?   815.628  236.619 0.000000 236.6187 
1 1 1   -4   24   10 o  680.385  191.221   7.5638   4.2431   8.1995   5.8814   6.8738   6.1274  721.993  230.514  684.439  235.847 37.55402 329.7888 
1 1 1   -4   24   12 o  1570.37  110.958   39.009   5.4209   40.371   6.6311   36.265   9.4126  1593.99  134.102  1494.66  206.645 99.33496 246.3447 
1 1 1   -4   24   14 o  1202.95  170.399   23.392   6.2390   32.963   9.6631   16.550   8.1701  1418.51  225.071  994.744  259.558 423.7637 343.5511 
1 1 1   -4   24   16 o  1246.96  124.771   24.763   4.8063   26.505   5.9837   21.596   8.0691  1285.53  151.564  1140.12  233.870 145.4104 278.6878 
1 1 1   -4   24   18 f  446.006  179.523   1.4759   3.8474  -1.8298   5.0026   6.2621   6.0194  421.775  187.784  662.302  233.416 -240.5268 299.5765 
1 1 1   -4   24   20 o  1133.59  134.509   20.594   4.6813   26.305   6.0553   12.110   7.3803  1279.03  154.314  857.533  255.621 421.4928 298.5879 
1 1 1   -4   24   22 o  490.068  184.283   2.8729   3.8399   3.6608   5.1638   1.8984   5.7431  560.391  213.011  533.878  217.718 26.51306 304.5890 
1 1 1   -4   24   24 o  1062.44  193.314   18.667   6.1942   18.667   6.1942   0.0000   0.0000  1062.44  193.314  ?   ?  0.000000 193.3139 
1 1 1   -4   24   26 o  1000.45  301.452   17.248   10.223   17.248   10.223   0.0000   0.0000  1000.45  301.452  ?   ?  0.000000 301.4519 
1 1 1   -4   24   28 o  1356.73  281.231   32.251   11.555   32.251   11.555   0.0000   0.0000  1356.73  281.231  ?   ?  0.000000 281.2306 
1 1 1   -4   24   30 o  323.894  151.223  -3.4048   3.7841  -9.7794   5.6758   1.6959   5.0771  338.607  165.071  495.361  203.663 -156.7537 262.1587 
1 1 1   -4   24   32 o  568.599  210.843   4.5326   4.9921   13.621   10.440   1.8384   5.6841  880.381  307.592  517.334  214.365 363.0472 374.9204 
1 1 1   -4   24   34 o  784.862  199.801   10.790   4.9230   6.6140   6.7948   15.405   7.1427  660.106  245.742  921.745  243.745 -261.6386 346.1231 
1 1 1   -4   24   36 o  572.837  238.646   2.8826   7.0992   0.0000   0.0000   2.8826   7.0992  ?   ?   572.837  238.646 0.000000 238.6458 
1 1 1   -4   24   38 o  344.239  162.365  -4.2753   4.5579  -5.0085   6.0644  -3.3236   6.9099  400.448  188.393  455.024  209.619 -54.57657 281.8369 
1 1 1   -4   24   40 o  1072.44  356.775   27.594   14.014   27.594   14.014   0.0000   0.0000  1072.44  356.775  ?   ?  0.000000 356.7747 
1 1 1   -4   24   42 o  490.016  238.864 -12.6895   11.878 -12.6895   11.878   0.0000   0.0000  490.016  238.864  ?   ?  0.000000 238.8636 
1 1 1   -4   25    1 o  406.428  179.957  -1.4864   4.5326  -5.9030   6.9480   1.7857   5.9804  447.420  207.547  543.544  221.972 -96.12375 303.8865 
1 1 1   -4   25    3 o  470.810  188.327   1.7388   4.2051   1.5591   5.8514   1.9307   6.0473  533.290  218.878  549.406  223.656 -16.11664 312.9375 
1 1 1   -4   25    5 o  1039.03  157.363   17.425   4.9595   17.165   6.7488   17.731   7.3126  1019.73  217.970  1034.66  231.499 -14.92792 317.9663 
1 1 1   -4   25    7 o  516.961  214.530   1.1094   5.7050   0.0000   0.0000   1.1094   5.7050  ?   ?   516.961  214.530 0.000000 214.5301 
1 1 1   -4   25    9 o  504.738  182.811   3.3475   3.7187   1.5320   4.8269   5.9986   5.8328  491.304  199.890  652.326  229.785 -161.0219 304.5603 
1 1 1   -4   25   11 o  807.192  170.789   10.696   4.1820   10.751   5.0076   10.570   7.6031  806.868  199.360  818.686  262.165 -11.81854 329.3554 
1 1 1   -4   25   13 o  659.712  190.010   7.0669   4.1385   7.7432   5.0378   5.6634   7.2574  695.393  212.081  678.086  253.668 17.30713 330.6442 
1 1 1   -4   25   15 o  972.868  152.334   15.313   4.4882   19.385   5.5184   7.3557   7.7144  1094.34  166.275  731.436  263.548 362.9001 311.6170 
1 1 1   -4   25   17 o  615.204  194.241   5.9561   4.1850   2.3159   5.2205   12.503   7.0009  526.632  210.114  869.586  246.056 -342.9536 323.5611 
1 1 1   -4   25   19 o  484.537  189.915   2.2572   4.1957   3.8775   5.3446  -0.3448   6.7731  573.597  217.024  526.709  226.783 46.88800 313.8952 
1 1 1   -4   25   21 o  1037.67  294.081   18.251   9.9923   18.251   9.9923   0.0000   0.0000  1037.67  294.081  ?   ?  0.000000 294.0805 
1 1 1   -4   25   23 o  1282.45  132.753   26.350   5.2538   26.811   6.7904   25.662   8.2927  1283.72  173.363  1241.34  221.471 42.38782 281.2545 
1 1 1   -4   25   25 o  1619.20  120.912   41.802   6.0862   46.574   7.7594   34.173   9.8116  1702.53  146.992  1429.99  226.684 272.5417 270.1710 
1 1 1   -4   25   27 o  1316.98  289.915   30.544   11.632   30.544   11.632   0.0000   0.0000  1316.98  289.915  ?   ?  0.000000 289.9146 
1 1 1   -4   25   29 o  1326.11  307.795   31.859   12.535   31.859   12.535   0.0000   0.0000  1326.11  307.795  ?   ?  0.000000 307.7946 
1 1 1   -4   25   31 o  745.909  249.051   9.3030   6.8268   9.3030   6.8268   0.0000   0.0000  745.909  249.051  ?   ?  0.000000 249.0514 
1 1 1   -4   25   33 f  945.746  337.436   16.393   12.617   16.393   12.617   0.0000   0.0000  945.746  337.436  ?   ?  0.000000 337.4357 
1 1 1   -4   25   35 o  660.222  209.700   7.4762   4.8721   12.650   7.0202   2.6682   6.7673  834.439  249.435  563.982  233.814 270.4562 341.8872 
1 1 1   -4   25   37 o  1040.27  243.228   20.006   7.7810   0.0000   0.0000   20.006   7.7810  ?   ?   1040.27  243.228 0.000000 243.2276 
1 1 1   -4   25   39 o  463.531  210.464  -2.0308   6.6405  -2.0308   6.6405   0.0000   0.0000  463.531  210.464  ?   ?  0.000000 210.4641 
1 1 1   -4   25   41 o  434.898  201.951  -3.5027   6.6043 -35.5363   14.199   5.3414   7.4605  436.056  220.015  611.766  248.660 -175.7097 332.0210 
1 1 1   -4   26    2 o  478.521  216.657  -3.8279   6.9771   0.0000   0.0000  -3.8279   6.9771  ?   ?   478.521  216.657 0.000000 216.6574 
1 1 1   -4   26    4 o  738.395  219.306   8.7891   5.4397   10.860   8.3206   7.2431   7.1887  837.939  274.730  719.632  254.924 118.3063 374.7836 
1 1 1   -4   26    6 o  999.468  190.367   16.337   5.7401   19.010   9.0715   14.552   7.4128  1068.78  270.754  937.971  248.444 130.8101 367.4678 
1 1 1   -4   26    8 o  625.081  192.124   6.1957   4.1246   6.8657   5.2826   5.1491   6.6016  669.178  218.879  648.486  242.065 20.69202 326.3491 
1 1 1   -4   26   10 o  411.361  174.726   0.0815   3.9223  -0.9527   5.1151   1.5575   6.1108  445.960  194.510  543.052  223.373 -97.09198 296.1916 
1 1 1   -4   26   12 o  719.383  195.060   8.4914   4.5044   9.3174   5.5558   6.9069   7.6950  756.969  220.775  720.640  262.672 36.32861 343.1302 
1 1 1   -4   26   14 o  946.255  164.999   14.576   4.7111   17.139   5.6769   8.9079   8.4434  1024.14  183.780  785.826  276.502 238.3088 332.0067 
1 1 1   -4   26   16 o  495.142  193.072   2.4274   4.3192   0.6703   5.2748   6.0027   7.5243  487.802  204.652  691.781  258.388 -203.9789 329.6163 
1 1 1   -4   26   18 o  575.842  201.084   4.7591   4.4613   0.8607   5.3750   13.393   7.9989  495.681  207.175  899.407  265.647 -403.7254 336.8827 
1 1 1   -4   26   20 o  577.060  204.860   4.6847   4.6448   8.3963   5.9135  -1.2930   7.5046  725.147  231.101  536.054  234.654 189.0931 329.3479 
1 1 1   -4   26   22 o  1093.95  207.479   19.915   6.8470   38.074   11.235   9.1864   8.6359  1509.04  246.269  786.822  279.336 722.2219 372.3940 
1 1 1   -4   26   24 o  481.541  197.907   1.3967   4.7919  -1.2386   5.9996   6.0399   7.9637  474.580  208.724  694.060  264.358 -219.4798 336.8244 
1 1 1   -4   26   26 o  840.787  245.392   12.018   6.8617   12.018   6.8617   0.0000   0.0000  840.787  245.392  ?   ?  0.000000 245.3921 
1 1 1   -4   26   28 o  987.378  242.820   16.908   7.4551   16.908   7.4551   0.0000   0.0000  987.378  242.820  ?   ?  0.000000 242.8199 
1 1 1   -4   26   30 o  766.544  242.214   9.9541   6.5066   14.961   11.525   7.6115   7.8831  930.899  323.299  718.483  265.241 212.4158 418.1812 
1 1 1   -4   26   32 o  574.408  213.090   4.5923   5.1002   4.8143   7.0430   4.3476   7.3955  628.479  246.135  626.445  250.038 2.034790 350.8578 
1 1 1   -4   26   34 o  513.967  246.836 -13.2719   11.543 -13.2719   11.543   0.0000   0.0000  513.967  246.836  ?   ?  0.000000 246.8362 
1 1 1   -4   26   36 f  734.834  262.035   9.1491   7.6073   9.1491   7.6073   0.0000   0.0000  734.834  262.035  ?   ?  0.000000 262.0346 
1 1 1   -4   27    1 o  739.799  192.713   8.9924   4.5087   4.9437   5.2446   20.460   8.8264  605.438  217.393  1109.48  258.810 -504.0428 337.9973 
1 1 1   -4   27    3 o  377.283  168.713  -1.7554   4.0858  -4.5862   4.9751   4.1092   7.1608  374.019  174.213  638.651  248.718 -264.6320 303.6619 
1 1 1   -4   27    5 o  591.931  223.884   4.0571   5.6866  -3.7593   7.9543   12.228   8.1328  518.765  233.425  873.097  270.016 -354.3317 356.9259 
1 1 1   -4   27    7 o  604.549  223.620   4.5877   5.6087   0.9131   8.7349   7.1654   7.3161  622.688  262.407  719.560  256.930 -96.87134 367.2469 
1 1 1   -4   27    9 f  800.120  218.141   10.533   5.6154   22.402   8.8562   2.5528   7.2618  1161.19  250.900  605.570  245.623 555.6144 351.1147 
1 1 1   -4   27   11 o  447.939  200.009  -2.2795   5.7192  -3.4166   8.8487  -1.4637   7.4952  556.173  248.527  536.205  234.619 19.96814 341.7773 
1 1 1   -4   27   13 o  456.472  191.717   0.5224   4.6373  -3.8899   5.5865   10.300   8.3162  414.257  189.963  819.046  274.874 -404.7891 334.1283 
1 1 1   -4   27   15 o  430.667  184.458  -0.1382   4.4379  -5.5614   5.5624   9.3608   7.3616  387.896  181.826  777.690  258.579 -389.7940 316.1073 
1 1 1   -4   27   17 o  648.671  202.341   6.7084   4.5559   6.8973   5.4049   6.2448   8.4675  669.033  221.524  718.255  272.827 -49.22162 351.4360 
1 1 1   -4   27   19 o  710.367  212.723   8.2337   5.1024   6.9254   6.2751   10.786   8.7656  685.158  238.526  832.442  282.189 -147.2847 369.4930 
1 1 1   -4   27   21 o  562.640  212.210   3.8508   5.0999  -2.4462   6.5569   13.494   8.1140  478.256  213.806  897.641  268.127 -419.3852 342.9365 
1 1 1   -4   27   23 o  581.531  262.870  -4.4334   10.223  -4.4334   10.223   0.0000   0.0000  581.531  262.870  ?   ?  0.000000 262.8697 
1 1 1   -4   27   25 o  854.851  210.472   12.359   5.5962   12.219   7.0934   12.590   9.1073  849.834  249.920  873.335  287.478 -23.50104 380.9245 
1 1 1   -4   27   27 o  706.608  227.159   8.1366   5.7040   8.4594   7.3691   7.6542   9.0092  739.321  258.420  748.218  282.089 -8.896790 382.5640 
1 1 1   -4   27   29 o  563.928  234.613   1.8877   6.8479  -0.9758   11.347   3.5280   8.5881  650.541  286.552  648.209  265.504 2.331726 390.6461 
1 1 1   -4   27   31 o  884.730  336.324   12.099   12.874   12.099   12.874   0.0000   0.0000  884.730  336.324  ?   ?  0.000000 336.3239 
1 1 1   -4   27   35 o  607.386  260.892   1.5721   8.9233   0.0000   0.0000   1.5721   8.9233  ?   ?   607.386  260.892 0.000000 260.8916 
1 1 1   -4   28    2 o  638.348  227.212   5.6314   5.7172   5.6314   5.7172   0.0000   0.0000  638.348  227.212  ?   ?  0.000000 227.2117 
1 1 1   -4   28    4 o  424.493  185.034  -0.8414   4.6226  -1.1612   5.4304  -0.0001   8.8085  456.130  199.640  608.716  260.272 -152.5862 328.0209 
1 1 1   -4   28    6 o  887.522  184.894   12.950   4.9715   12.756   5.9269   13.409   9.1314  877.554  216.929  913.430  286.711 -35.87659 359.5297 
1 1 1   -4   28    8 o  879.224  190.658   12.745   5.0977   10.497   6.1308   17.780   9.1763  801.093  231.423  1031.83  277.834 -230.7350 361.5916 
1 1 1   -4   28   10 o  473.137  195.973   0.9846   4.7479   0.7806   5.8565   1.3758   8.1097  514.660  215.766  608.817  254.471 -94.15710 333.6321 
1 1 1   -4   28   12 o  428.328  188.947  -1.3888   4.9514  -5.4152   5.9755   7.4318   8.8443  409.679  190.857  756.751  280.634 -347.0728 339.3844 
1 1 1   -4   28   14 o  1047.48  224.111   18.250   7.1284   18.027   10.867   18.419   9.4443  1039.14  310.274  1045.84  281.970 -6.702759 419.2575 
1 1 1   -4   28   16 o  747.019  254.219   8.4670   7.1144   6.8530   10.959   9.6426   9.3530  788.500  307.521  815.894  290.592 -27.39331 423.0987 
1 1 1   -4   28   18 o  784.213  249.333   9.8819   6.8865  -6.2262   11.176   19.741   8.7435  594.968  271.257  1080.10  261.354 -485.1340 376.6781 
1 1 1   -4   28   20 o  503.032  207.352   1.3895   5.2795  -2.7775   6.6306   8.6071   8.7266  476.406  213.847  776.275  280.217 -299.8689 352.4937 
1 1 1   -4   28   22 o  1093.42  179.697   19.631   5.9386   21.105   7.3645   16.890   10.042  1124.12  217.085  996.736  298.407 127.3807 369.0155 
1 1 1   -4   28   24 o  597.326  224.403   4.4983   5.6912   2.1323   7.1753   8.5116   9.3451  585.683  241.612  780.452  288.658 -194.7682 376.4301 
1 1 1   -4   28   26 o  833.764  222.443   11.783   5.9148   17.744   7.3778   1.0599   9.8957  1019.60  235.790  647.233  276.281 372.3632 363.2195 
1 1 1   -4   28   28 o  455.181  203.349  -2.0227   5.9202  -6.7483   7.8434   4.2340   9.0251  465.397  217.432  676.799  274.065 -211.4014 349.8401 
1 1 1   -4   29    1 o  926.643  241.527   14.255   7.0794   17.959   9.1347   8.6848   11.202  1037.32  276.287  835.772  314.666 201.5507 418.7473 
1 1 1   -4   29    3 o  669.655  239.197   6.1932   6.3415   6.1932   6.3415   0.0000   0.0000  669.655  239.197  ?   ?  0.000000 239.1965 
1 1 1   -4   29    5 o  918.292  228.261   14.001   6.5351   14.001   6.5351   0.0000   0.0000  918.292  228.261  ?   ?  0.000000 228.2611 
1 1 1   -4   29    7 o  443.044  214.107 -14.1501   9.0216 -14.1501   9.0216   0.0000   0.0000  443.044  214.107  ?   ?  0.000000 214.1075 
1 1 1   -4   29    9 o  797.551  203.221   10.521   5.0896   14.288   6.4482   4.2966   8.2894  927.162  224.502  673.592  266.018 253.5704 348.0904 
1 1 1   -4   29   11 o  532.416  208.858   2.7192   5.0779  -0.8173   6.4629   8.4241   8.2085  506.373  219.767  768.137  272.375 -261.7636 349.9793 
1 1 1   -4   29   13 o  754.810  218.870   9.3233   5.4745   6.8347   6.7470   14.119   9.3662  695.323  246.900  930.931  290.077 -235.6082 380.9251 
1 1 1   -4   29   15 o  648.239  206.777   6.6099   4.7333   4.3428   5.4883   13.192   9.3515  591.551  220.732  905.310  290.839 -313.7588 365.1164 
1 1 1   -4   29   17 o  468.600  194.843   0.8999   4.7192   0.0188   5.5924   3.0795   8.7955  485.798  207.541  660.202  269.355 -174.4034 340.0369 
1 1 1   -4   29   19 o  625.152  250.385   3.3866   7.4436 -11.5910   11.689   13.603   9.6541  555.435  261.381  915.301  295.660 -359.8657 394.6326 
1 1 1   -4   29   21 f  817.894  262.420   10.806   7.6151  -8.9086   12.169   23.496   9.7630  595.351  275.639  1174.68  270.953 -579.3269 386.5125 
1 1 1   -4   29   23 o  684.784  256.188   6.0796   7.4026   0.9512   11.725   9.4784   9.5454  701.591  300.142  809.083  292.914 -107.4915 419.3854 
1 1 1   -4   29   25 o  597.558  239.986   3.1289   6.8585   0.4757   9.7258   5.7536   9.6732  635.579  272.668  728.902  287.523 -93.32300 396.2536 
1 1 1   -4   29   27 o  685.150  249.405   6.6496   6.9340   10.458   10.068   3.2136   9.5634  833.068  300.947  674.898  278.723 158.1697 410.1891 
1 1 1   -4   29   29 o  565.297  244.699  -0.1401   7.9707   10.463   13.390  -5.9601   9.9199  877.944  340.602  548.300  252.058 329.6436 423.7251 
1 1 1   -4   30    2 o  472.465  212.719  -3.1876   6.6173   5.9589   8.6266 -16.2638   10.315  720.326  274.954  472.764  228.587 247.5624 357.5639 
1 1 1   -4   30    4 o  894.008  258.921   13.124   7.6655   13.300   10.446   12.918   11.284  925.207  308.039  927.449  320.028 -2.242188 444.1915 
1 1 1   -4   30    6 o  535.918  216.381   2.0759   5.6081   2.9923   6.6068  -0.2869   10.608  593.411  236.493  661.249  284.255 -67.83734 369.7700 
1 1 1   -4   30    8 o  485.319  214.609  -1.9194   6.4258  -1.9194   6.4258   0.0000   0.0000  485.319  214.609  ?   ?  0.000000 214.6093 
1 1 1   -4   30   10 o  548.721  230.911   0.7515   6.7486   0.7515   6.7486   0.0000   0.0000  548.721  230.911  ?   ?  0.000000 230.9114 
1 1 1   -4   30   12 o  742.163  256.127   8.1389   7.2278   8.1389   7.2278   0.0000   0.0000  742.163  256.127  ?   ?  0.000000 256.1270 
1 1 1   -4   30   14 o  688.269  209.305   7.6197   4.9120   2.0850   6.0597   18.224   8.3877  551.737  224.164  1042.39  258.295 -490.6552 342.0030 
1 1 1   -4   30   16 o  746.535  211.749   9.1600   5.1783   6.5258   6.1815   15.358   9.4820  673.603  236.613  963.484  290.316 -289.8812 374.5250 
1 1 1   -4   30   18 o  634.359  220.371   5.8652   5.3549   5.5311   6.3530   6.6849   9.9517  648.447  238.319  762.662  294.261 -114.2148 378.6624 
1 1 1   -4   30   20 o  542.609  230.035   0.5199   6.7776  -1.0354   9.2882   2.2912   9.9121  603.123  262.609  677.092  282.027 -73.96875 385.3605 
1 1 1   -4   30   22 o  591.928  243.946   2.0791   7.3057  -6.0039   10.351   10.104   10.313  569.652  260.231  839.027  304.355 -269.3747 400.4398 
1 1 1   -4   30   24 o  817.957  306.130   9.0409   10.572   0.0000   0.0000   9.0409   10.572  ?   ?   817.957  306.130 0.000000 306.1301 
1 1 1   -4   30   26 o  547.070  240.708  -1.5072   7.9867   2.7465   13.136  -4.0020   10.060  760.200  321.150  581.624  262.033 178.5754 414.4857 
1 1 1   -4   31    1 o  358.409  172.183  -8.2103   5.6266 -11.4308   6.5078   1.3261   11.198  365.770  177.969  704.776  297.062 -339.0054 346.2931 
1 1 1   -4   31    3 o  750.680  312.401   2.5915   12.147   0.0000   0.0000   2.5915   12.147  ?   ?   750.680  312.401 0.000000 312.4006 
1 1 1   -4   31    5 o  821.182  229.974   11.071   6.1486   8.2267   7.1305   19.316   12.141  744.657  254.503  1083.60  328.963 -338.9415 415.9184 
1 1 1   -4   31    7 o  362.832  172.925  -7.0554   5.4360   4.3695   9.8350 -12.0809   6.5229  719.053  287.875  360.348  175.954 358.7047 337.3893 
1 1 1   -4   31    9 o  488.164  201.412   1.1578   4.9872   2.3988   7.1784  -0.0001   6.9338  599.181  243.770  541.381  231.186 57.79993 335.9628 
1 1 1   -4   31   11 o  398.899  181.412  -2.9919   4.9594   2.3891   7.0268  -8.3328   7.0006  593.558  241.299  419.181  198.756 174.3772 312.6165 
1 1 1   -4   31   13 o  783.681  241.634   9.8704   6.5185   9.8704   6.5185   0.0000   0.0000  783.681  241.634  ?   ?  0.000000 241.6338 
1 1 1   -4   31   15 o  573.080  242.704   0.5611   7.5324   0.5611   7.5324   0.0000   0.0000  573.080  242.704  ?   ?  0.000000 242.7044 
1 1 1   -4   31   17 o  566.701  240.932   0.3716   7.4706   0.3716   7.4706   0.0000   0.0000  566.701  240.932  ?   ?  0.000000 240.9323 
1 1 1   -4   31   19 o  584.160  233.958   2.8458   6.4986   7.0010   8.9999  -1.6810   9.3937  748.346  281.985  598.154  262.167 150.1927 385.0291 
1 1 1   -4   31   21 o  818.529  239.502   11.063   6.5289   12.152   8.4402   9.4396   10.302  866.464  276.089  826.881  303.546 39.58313 410.3233 
1 1 1   -4   32    2 o  872.499  281.721   11.951   8.7659   16.721   11.378   4.9837   13.751  1018.75  320.082  829.103  337.358 189.6428 465.0406 
1 1 1   -4   32    4 o  805.896  277.894   9.5599   8.5077   1.1165   11.660   19.172   12.441  715.345  302.409  1083.77  333.762 -368.4290 450.3872 
1 1 1   -4   32    6 o  574.904  216.836   3.8662   5.3246   12.717   7.3077  -6.1505   7.7743  880.742  252.148  478.655  221.153 402.0868 335.3917 
1 1 1   -4   32    8 o  527.900  211.267   2.2091   5.2949  -2.8053   7.4337   7.3731   7.5437  512.528  228.497  729.922  260.868 -217.3936 346.7892 
1 1 1   -4   32   10 o  630.049  223.604   5.5107   5.5332  -5.8303   7.6289   18.099   8.0374  476.589  219.804  1042.85  249.484 -566.2616 332.5001 
1 1 1   -4   32   12 o  627.781  235.377   4.7722   6.2554  -0.4019   10.334   7.7641   7.8586  651.218  280.262  745.949  266.293 -94.73102 386.5988 
1 1 1   -4   32   14 o  462.306  199.935  -0.5796   5.3115 -13.9683   8.0212   9.8756   7.0882  406.055  197.572  790.962  253.115 -384.9065 321.0953 
1 1 1   -3    0    9 o  108.337   65.131   0.1812   0.3990   0.1812   0.3990   0.1812   0.3990  108.337   65.131  108.337   65.131 -0.000000 0.000000 
1 1 1   -3    0   11 o  363.542  100.388   2.4905   0.9883   2.4905   0.9883   2.4905   0.9883  363.542  100.388  363.542  100.388 -0.000000 0.000000 
1 1 1   -3    0   13 o  299.064  114.951   1.9086   1.0187   1.9086   1.0187   1.9086   1.0187  299.064  114.951  299.064  114.951 -0.000000 0.000000 
1 1 1   -3    0   15 o  525.166  107.518   4.8297   1.5630   4.8297   1.5630   4.8297   1.5630  525.166  107.518  525.166  107.518 -0.000000 0.000000 
1 1 1   -3    0   17 o  463.919  115.374   3.9417   1.4503   3.9417   1.4503   3.9417   1.4503  463.919  115.374  463.919  115.374 -0.000000 0.000000 
1 1 1   -3    0   21 o  2248.47  159.970   80.989   11.132   80.989   11.132   80.989   11.132  2248.47  159.970  2248.47  159.970 -0.000000 0.000000 
1 1 1   -3    0   23 o  4285.05  230.589  295.352   30.735  295.352   30.735  295.352   30.735  4285.05  230.589  4285.05  230.589 -0.000000 0.000000 
1 1 1   -3    0   25 o  2410.00  165.146   93.247   12.328   93.247   12.328   93.247   12.328  2410.00  165.146  2410.00  165.146 -0.000000 0.000000 
1 1 1   -3    0   27 o  1942.69  153.392   60.954   9.1971   60.954   9.1971   60.954   9.1971  1942.69  153.392  1942.69  153.392 -0.000000 0.000000 
1 1 1   -3    0   29 o  983.937  149.126   16.379   4.2820   16.379   4.2820   16.379   4.2820  983.937  149.126  983.937  149.126 -0.000000 0.000000 
1 1 1   -3    0   31 o  468.659  189.710   4.8803   2.7230   4.8803   2.7230   4.8803   2.7230  468.659  189.710  468.659  189.710 -0.000000 0.000000 
1 1 1   -3    0   33 o  395.398  184.270   3.6659   2.5383   3.6659   2.5383   3.6659   2.5383  395.398  184.270  395.398  184.270 -0.000000 0.000000 
1 1 1   -3    0   35 o  967.603  160.790   16.131   4.4671   16.131   4.4671   16.131   4.4671  967.603  160.790  967.603  160.790 -0.000000 0.000000 
1 1 1   -3    0   37 o  2231.33  164.279   81.477   11.335   81.477   11.335   81.477   11.335  2231.33  164.279  2231.33  164.279 -0.000000 0.000000 
1 1 1   -3    0   39 o  3990.84  226.865  265.138   28.140  265.138   28.140  265.138   28.140  3990.84  226.865  3990.84  226.865 -0.000000 0.000000 
1 1 1   -3    0   41 o  2375.14  168.490   91.876   12.386   91.876   12.386   91.876   12.386  2375.14  168.490  2375.14  168.490 -0.000000 0.000000 
1 1 1   -3    0   47 o  3156.52  194.363  163.008   19.044  163.008   19.044  163.008   19.044  3156.52  194.363  3156.52  194.363 -0.000000 0.000000 
1 1 1   -3    0   49 o  884.674  189.737   14.125   4.6148   14.125   4.6148   14.125   4.6148  884.674  189.737  884.674  189.737 -0.000000 0.000000 
1 1 1   -3    0   51 o  1515.18  159.913   38.050   7.3936   38.050   7.3936   38.050   7.3936  1515.18  159.913  1515.18  159.913 -0.000000 0.000000 
1 1 1   -3    0   53 o  1287.35  164.462   28.088   6.3338   28.088   6.3338   28.088   6.3338  1287.35  164.462  1287.35  164.462 -0.000000 0.000000 
1 1 1   -3    0   55 o  1122.61  180.261   22.161   5.8465   22.161   5.8465   22.161   5.8465  1122.61  180.261  1122.61  180.261 -0.000000 0.000000 
1 1 1   -3    0   59 o  835.688  229.461   14.112   5.1919   14.112   5.1919   14.112   5.1919  835.688  229.461  835.688  229.461 -0.000000 0.000000 
1 1 1   -3    0   61 o  2269.18  178.899   88.437   12.530   88.437   12.530   88.437   12.530  2269.18  178.899  2269.18  178.899 -0.000000 0.000000 
1 1 1   -3    1   10 o  6309.19  216.298  629.709   42.731  605.198   60.431  654.221   60.431  6142.12  315.273  6399.71  301.566 -257.5869 436.2790 
1 1 1   -3    1   12 o  4017.56  152.102  254.279   19.134  254.279   19.134   0.0000   0.0000  4017.56  152.102  ?   ?  0.000000 152.1021 
1 1 1   -3    1   14 o  2297.89  110.565   83.038   7.9554   83.038   7.9554   0.0000   0.0000  2297.89  110.565  ?   ?  0.000000 110.5650 
1 1 1   -3    1   16 o  6738.64  187.647  723.844   39.594  740.538   48.497  690.472   68.568  6786.99  228.202  6443.10  341.081 343.8921 410.3809 
1 1 1   -3    1   18 o  7458.92  258.787  911.645   60.441  911.645   60.441   0.0000   0.0000  7458.92  258.787  ?   ?  0.000000 258.7869 
1 1 1   -3    1   20 o  1643.54  100.291   42.804   5.1366   40.368   7.2660   45.238   7.2626  1584.61  148.157  1680.68  139.259 -96.06140 203.3310 
1 1 1   -3    1   22 o  1135.80   94.545   20.507   3.3319   20.762   4.7248   20.254   4.6994  1133.98  135.765  1119.55  136.908 14.43176 192.8102 
1 1 1   -3    1   24 o  3253.29  194.771  173.637   19.750   0.0000   0.0000  173.637   19.750  ?   ?   3253.29  194.771 0.000000 194.7707 
1 1 1   -3    1   26 o  568.891  138.517   5.4254   2.4444   0.0000   0.0000   5.4254   2.4444  ?   ?   568.891  138.517 0.000000 138.5171 
1 1 1   -3    1   28 o  1454.61  144.049   34.997   6.4748   0.0000   0.0000   34.997   6.4748  ?   ?   1454.61  144.049 0.000000 144.0487 
1 1 1   -3    1   30 o  2848.15  189.915  141.175   16.840   0.0000   0.0000  141.175   16.840  ?   ?   2848.15  189.915 0.000000 189.9154 
1 1 1   -3    1   32 o  3128.71  206.149  176.473   20.083   0.0000   0.0000  176.473   20.083  ?   ?   3128.71  206.149 0.000000 206.1488 
1 1 1   -3    1   34 o  1491.89  152.123   38.529   7.0069   0.0000   0.0000   38.529   7.0069  ?   ?   1491.89  152.123 0.000000 152.1230 
1 1 1   -3    1   36 f  1995.43  168.459   72.189   10.427   0.0000   0.0000   72.189   10.427  ?   ?   1995.43  168.459 0.000000 168.4586 
1 1 1   -3    1   38 o  396.476  147.570   2.4581   2.4500   0.0000   0.0000   2.4581   2.4500  ?   ?   396.476  147.570 0.000000 147.5701 
1 1 1   -3    1   40 o  2034.66  173.596   77.214   10.954   0.0000   0.0000   77.214   10.954  ?   ?   2034.66  173.596 0.000000 173.5964 
1 1 1   -3    1   42 o  1419.13  160.395   36.872   7.0023   0.0000   0.0000   36.872   7.0023  ?   ?   1419.13  160.395 0.000000 160.3949 
1 1 1   -3    1   44 o  1395.64  163.366   36.520   7.0041   0.0000   0.0000   36.520   7.0041  ?   ?   1395.64  163.366 0.000000 163.3657 
1 1 1   -3    1   50 o  2481.78  266.171  176.499   20.361  176.499   20.361   0.0000   0.0000  2481.78  266.171  ?   ?  0.000000 266.1708 
1 1 1   -3    1   52 o  593.533  151.885   7.9669   2.8345   6.5409   4.2171   9.1420   3.8282  469.674  188.339  577.280  186.150 -107.6058 264.8080 
1 1 1   -3    1   54 o  1199.44  132.538   33.074   4.8946   34.323   7.0689   31.924   6.7840  893.725  245.201  869.521  240.879 24.20435 343.7240 
1 1 1   -3    1   56 o  684.047  297.693   83.504   11.924   83.504   11.924   0.0000   0.0000  684.047  297.693  ?   ?  0.000000 297.6926 
1 1 1   -3    1   58 o  427.853  214.960   93.550   12.781   0.0000   0.0000   93.550   12.781  ?   ?   427.853  214.960 0.000000 214.9596 
1 1 1   -3    1   60 o  283.784  133.522   6.5152   3.0477   7.2051   4.5332   5.9463   4.1170  248.592  125.291  245.954  123.360 2.638306 175.8286 
1 1 1   -3    1   62 o  292.337  139.827   13.493   3.6214   15.293   5.2349   11.841   5.0150  ?   ?   ?   ?  0.000000      ? 
1 1 1   -3    2    9 o  415.172   71.665   2.7788   0.8980   5.4899   1.2983   0.2924   1.2433  587.440   72.095  245.653  100.867 341.7869 123.9836 
1 1 1   -3    2   11 o  1259.16   46.712   24.836   1.8417   52.230   2.6702  -0.0222   2.5436  1825.99   46.701  329.877  140.425 1496.116 147.9869 
1 1 1   -3    2   13 o  1170.26   55.822   21.463   2.0455   44.151   2.9458   0.3363   2.8426  1678.46   56.050  359.560  150.505 1318.897 160.6027 
1 1 1   -3    2   15 o  592.607   67.868   5.5813   1.2367   11.822   1.7924  -0.0890   1.7085  865.560   66.644  267.347  114.476 598.2132 132.4622 
1 1 1   -3    2   17 o  3461.70  198.734  192.806   21.451  192.806   21.451   0.0000   0.0000  3461.70  198.734  ?   ?  0.000000 198.7345 
1 1 1   -3    2   19 o  889.721   91.708   12.606   2.5183   13.148   3.5903   12.081   3.5333  901.277  131.058  862.271  135.318 39.00568 188.3804 
1 1 1   -3    2   21 o  2130.60  108.574   71.998   7.2194   73.025   10.218   70.974   10.201  2132.04  154.101  2101.01  156.179 31.02637 219.4063 
1 1 1   -3    2   23 o  226.145   84.952   0.5945   0.8156   0.9454   1.2834   0.3567   1.0564  283.666  106.563  231.697   93.785 51.96815 141.9557 
1 1 1   -3    2   25 o  512.975  102.322   4.3223   1.5859   2.2295   2.2730   6.3074   2.2138  400.282  143.182  618.892  118.552 -218.6098 185.8914 
1 1 1   -3    2   27 o  133.618   61.421  -0.4407   0.5889  -0.0985   0.9836  -0.6319   0.7352  199.563   86.171  145.716   67.565 53.84737 109.5016 
1 1 1   -3    2   29 o  1893.55  155.088   60.095   9.1148   0.0000   0.0000   60.095   9.1148  ?   ?   1893.55  155.088 0.000000 155.0879 
1 1 1   -3    2   31 o  1870.20  156.191   59.392   9.0629   0.0000   0.0000   59.392   9.0629  ?   ?   1870.20  156.191 0.000000 156.1905 
1 1 1   -3    2   33 o  1154.44  145.876   22.820   5.1555   0.0000   0.0000   22.820   5.1555  ?   ?   1154.44  145.876 0.000000 145.8764 
1 1 1   -3    2   35 f  524.176  154.712   4.9238   2.7139   0.0000   0.0000   4.9238   2.7139  ?   ?   524.176  154.712 0.000000 154.7122 
1 1 1   -3    2   37 o  2453.78  188.694  114.426   14.387   0.0000   0.0000  114.426   14.387  ?   ?   2453.78  188.694 0.000000 188.6939 
1 1 1   -3    2   39 o  358.496  138.521   1.7586   2.2078   0.0000   0.0000   1.7586   2.2078  ?   ?   358.496  138.521 0.000000 138.5211 
1 1 1   -3    2   41 o  1633.62  160.167   48.532   8.0876   0.0000   0.0000   48.532   8.0876  ?   ?   1633.62  160.167 0.000000 160.1674 
1 1 1   -3    2   43 o  3598.80  293.669  317.344   32.804   0.0000   0.0000  317.344   32.804  ?   ?   3598.80  293.669 0.000000 293.6693 
1 1 1   -3    2   45 o  2073.78  182.140   84.795   11.707   0.0000   0.0000   84.795   11.707  ?   ?   2073.78  182.140 0.000000 182.1398 
1 1 1   -3    2   47 o  898.352  171.214   16.145   4.6403   0.0000   0.0000   16.145   4.6403  ?   ?   898.352  171.214 0.000000 171.2136 
1 1 1   -3    2   55 o  899.805  343.759  102.376   13.492   0.0000   0.0000  102.376   13.492  ?   ?   899.805  343.759 0.000000 343.7590 
1 1 1   -3    2   57 o  233.673  114.409  -0.0001   2.8136   0.0000   0.0000  -0.0001   2.8136  ?   ?   233.673  114.409 0.000000 114.4085 
1 1 1   -3    2   59 o  389.111  186.407   29.687   6.4926   0.0000   0.0000   29.687   6.4926  ?   ?   389.111  186.407 0.000000 186.4073 
1 1 1   -3    2   61 o  ?   ?    59.508   9.5476   0.0000   0.0000   59.508   9.5476  ?   ?   ?   ?  0.000000      ? 
1 1 1   -3    3    8 o  463.296   68.191   3.4359   0.9597   6.7504   1.3895   0.4129   1.3270  652.666   69.038  258.784  104.986 393.8824 125.6513 
1 1 1   -3    3   10 o  1172.86   56.247   21.553   2.0657   43.506   2.9538   0.5409   2.8899  1666.33   56.612  369.273  152.918 1297.059 163.0603 
1 1 1   -3    3   12 o  985.648   50.205   15.261   1.5443   31.919   2.2385   0.1315   2.1334  1427.30   50.087  307.446  129.627 1119.856 138.9675 
1 1 1   -3    3   14 o  1144.47   53.030   20.530   1.9004   42.819   2.7477   0.0903   2.6313  1652.81   53.091  338.513  143.410 1314.295 152.9221 
1 1 1   -3    3   16 o  5364.52  276.908  471.289   46.355  471.289   46.355   0.0000   0.0000  5364.52  276.908  ?   ?  0.000000 276.9080 
1 1 1   -3    3   18 o  1422.08   59.313   31.744   2.6411   65.522   3.8016   0.2284   3.6720  2043.09   59.424  400.103  169.454 1642.991 179.5710 
1 1 1   -3    3   20 o  1068.10   86.114   18.087   2.8556   25.623   4.0664   10.755   4.0109  1269.55  103.186  805.795  164.529 463.7556 194.2095 
1 1 1   -3    3   22 o  2087.26  107.925   69.158   7.0296   68.513   9.9530   69.800   9.9296  2062.46  155.256  2082.55  153.351 -20.08203 218.2225 
1 1 1   -3    3   24 o  1269.56   95.621   25.656   3.7733   25.006   5.3537   26.298   5.3190  1241.66  140.152  1275.16  135.279 -33.50659 194.7892 
1 1 1   -3    3   26 o  1486.01   98.175   35.289   4.5424   36.687   6.4429   33.907   6.4051  1500.46  138.702  1439.85  143.997 60.60901 199.9329 
1 1 1   -3    3   28 o  1068.86   95.891   18.416   3.1752   16.608   4.4921   20.220   4.4887  994.821  148.775  1106.75  132.139 -111.9257 198.9844 
1 1 1   -3    3   30 o  729.338   98.508   8.7105   2.1921   8.7900   3.0879   8.6298   3.1124  716.896  142.580  709.219  145.044 7.676697 203.3884 
1 1 1   -3    3   32 o  1225.81  144.342   25.494   5.4341   0.0000   0.0000   25.494   5.4341  ?   ?   1225.81  144.342 0.000000 144.3423 
1 1 1   -3    3   34 o  2381.97  176.759  100.955   13.090   0.0000   0.0000  100.955   13.090  ?   ?   2381.97  176.759 0.000000 176.7587 
1 1 1   -3    3   36 o  822.821  153.201   12.195   3.8019   0.0000   0.0000   12.195   3.8019  ?   ?   822.821  153.201 0.000000 153.2013 
1 1 1   -3    3   38 o  1599.53  157.821   46.350   7.8015   0.0000   0.0000   46.350   7.8015  ?   ?   1599.53  157.821 0.000000 157.8214 
1 1 1   -3    3   40 o  1797.41  162.819   58.757   9.0642   0.0000   0.0000   58.757   9.0642  ?   ?   1797.41  162.819 0.000000 162.8194 
1 1 1   -3    3   42 o  2597.06  197.837  131.189   15.967   0.0000   0.0000  131.189   15.967  ?   ?   2597.06  197.837 0.000000 197.8371 
1 1 1   -3    3   44 o  2025.52  176.004   78.491   11.052   0.0000   0.0000   78.491   11.052  ?   ?   2025.52  176.004 0.000000 176.0037 
1 1 1   -3    3   46 o  612.024  170.669   7.5497   3.3938   0.0000   0.0000   7.5497   3.3938  ?   ?   612.024  170.669 0.000000 170.6685 
1 1 1   -3    3   48 o  1146.01  164.163   25.935   5.7226   0.0000   0.0000   25.935   5.7226  ?   ?   1146.01  164.163 0.000000 164.1632 
1 1 1   -3    3   50 o  425.066  159.523   3.6441   2.8746   0.0000   0.0000   3.6441   2.8746  ?   ?   425.066  159.523 0.000000 159.5226 
1 1 1   -3    3   52 o  1764.20  239.476   96.878   12.887   0.0000   0.0000   96.878   12.887  ?   ?   1764.20  239.476 0.000000 239.4756 
1 1 1   -3    3   60 f  347.663  174.708   49.738   8.4672   0.0000   0.0000   49.738   8.4672  ?   ?   347.663  174.708 0.000000 174.7081 
1 1 1   -3    3   62 o  200.129  101.536   3.0062   3.3229   0.0000   0.0000   3.0062   3.3229  ?   ?   200.129  101.536 0.000000 101.5365 
1 1 1   -3    4    3 o  4370.69   33.074  299.141   4.5264  620.255   6.5754   9.9137   6.2404  6293.56   33.366  787.242  235.140 5506.321 237.4957 
1 1 1   -3    4    5 o  3702.48  127.902  215.305   14.828  293.684   20.983  137.119   20.957  4320.98  155.085  2935.64  229.823 1385.338 277.2545 
1 1 1   -3    4    7 o  3131.84  113.272  153.982   11.108  214.729   15.723   93.452   15.695  3696.18  135.855  2423.23  208.890 1272.951 249.1823 
1 1 1   -3    4    9 o  2583.23   35.325  104.507   2.8574  220.767   4.1490  -0.3832   3.9409  3754.55   35.291  401.278  172.882 3353.272 176.4472 
1 1 1   -3    4   11 o  454.062   75.481   3.3197   1.0355   6.8782   1.5028   0.1026   1.4289  658.122   74.219  252.473  106.249 405.6488 129.6043 
1 1 1   -3    4   13 f  1815.22   47.977   51.634   2.7270  106.467   3.9259   0.5162   3.7906  2606.55   48.102  416.116  173.956 2190.431 180.4839 
1 1 1   -3    4   15 o  1913.93  148.432   58.359   8.8259   58.359   8.8259   0.0000   0.0000  1913.93  148.432  ?   ?  0.000000 148.4323 
1 1 1   -3    4   17 o  1134.97   58.180   20.268   2.0607   40.928   2.9740   1.1877   2.8580  1614.90   58.813  387.552  155.175 1227.348 165.9464 
1 1 1   -3    4   19 o  1109.10   59.313   19.367   2.0524   41.136   2.9788  -0.3057   2.8318  1618.72   58.770  337.597  145.994 1281.128 157.3790 
1 1 1   -3    4   21 o  436.782   89.599   3.1174   1.1843   4.9744   1.7186   1.4380   1.6343  552.320  103.168  332.624  121.082 219.6957 159.0738 
1 1 1   -3    4   23 o  759.783  134.013   9.4742   3.0717   0.0000   0.0000   9.4742   3.0717  ?   ?   759.783  134.013 0.000000 134.0127 
1 1 1   -3    4   25 o  2256.60  110.914   81.212   7.8371   83.951   11.095   78.484   11.072  2268.74  157.143  2190.21  162.607 78.53809 226.1305 
1 1 1   -3    4   27 o  833.326   94.393   11.211   2.4196   11.295   3.4326   11.128   3.4112  822.993  138.093  816.690  138.331 6.302490 195.4613 
1 1 1   -3    4   29 o  3363.56  140.501  186.755   14.798  187.529   20.937  185.983   20.917  3271.78  205.411  3256.96  206.169 14.82300 291.0316 
1 1 1   -3    4   31 o  1118.03   95.779   20.277   3.3207   23.474   4.7079   17.112   4.6844  1187.62  128.657  998.882  154.777 188.7365 201.2679 
1 1 1   -3    4   33 o  2327.22  115.519   89.126   8.4180   93.126   11.913   85.138   11.897  2316.57  165.318  2203.38  173.844 113.1931 239.8997 
1 1 1   -3    4   35 o  749.869  100.910   9.3769   2.3092   8.7524   3.2539   10.010   3.2777  698.106  153.075  752.961  144.273 -54.85455 210.3486 
1 1 1   -3    4   37 o  2410.44  184.765  109.086   13.839   0.0000   0.0000  109.086   13.839  ?   ?   2410.44  184.765 0.000000 184.7653 
1 1 1   -3    4   39 o  831.580  152.385   12.524   3.8217   0.0000   0.0000   12.524   3.8217  ?   ?   831.580  152.385 0.000000 152.3846 
1 1 1   -3    4   41 o  1083.12  150.283   20.986   4.9595   0.0000   0.0000   20.986   4.9595  ?   ?   1083.12  150.283 0.000000 150.2826 
1 1 1   -3    4   43 o  2900.83  218.513  172.237   19.702   0.0000   0.0000  172.237   19.702  ?   ?   2900.83  218.513 0.000000 218.5131 
1 1 1   -3    4   45 o  1192.67  156.031   26.550   5.6873   0.0000   0.0000   26.550   5.6873  ?   ?   1192.67  156.031 0.000000 156.0311 
1 1 1   -3    4   47 o  879.398  163.664   15.115   4.3408   0.0000   0.0000   15.115   4.3408  ?   ?   879.398  163.664 0.000000 163.6644 
1 1 1   -3    4   49 o  1451.29  168.540   42.764   7.5164   0.0000   0.0000   42.764   7.5164  ?   ?   1451.29  168.540 0.000000 168.5402 
1 1 1   -3    4   51 o  1784.46  203.608   79.371   11.173   0.0000   0.0000   79.371   11.173  ?   ?   1784.46  203.608 0.000000 203.6084 
1 1 1   -3    4   53 o  1289.09  446.208  195.934   21.945   0.0000   0.0000  195.934   21.945  ?   ?   1289.09  446.208 0.000000 446.2084 
1 1 1   -3    5    4 o  3077.88  127.707  148.816   12.308  147.626   17.406  150.006   17.406  3054.83  182.807  3079.69  181.300 -24.86133 257.4650 
1 1 1   -3    5    6 o  1924.91  103.658   58.316   6.2248   59.583   8.8048   57.051   8.8017  1940.83  145.952  1898.46  149.267 42.37085 208.7640 
1 1 1   -3    5    8 o  2239.23  156.254   79.365   10.887   79.365   10.887   0.0000   0.0000  2239.23  156.254  ?   ?  0.000000 156.2543 
1 1 1   -3    5   10 o  882.388   90.621   12.349   2.4683   12.399   3.4991   12.300   3.4824  878.047  131.299  874.476  131.227 3.570862 185.6338 
1 1 1   -3    5   12 f  3284.69  132.508  170.099   13.629  178.616   19.278  161.590   19.270  3350.16  184.486  3183.16  194.258 166.9939 267.9019 
1 1 1   -3    5   14 o  1356.04   95.547   29.068   4.0311   28.109   5.7091   30.022   5.6926  1326.09  139.588  1371.95  134.231 -45.86853 193.6561 
1 1 1   -3    5   16 o  2883.29  123.223  131.459   11.125  136.796   15.741  126.132   15.725  2922.48  172.778  2803.13  180.113 119.3513 249.5855 
1 1 1   -3    5   18 o  1336.85   93.668   28.301   3.8962   31.566   5.5251   25.071   5.4951  1405.91  126.874  1248.05  143.208 157.8655 191.3255 
1 1 1   -3    5   20 o  828.360   89.314   10.939   2.2800   13.332   3.2549   8.6324   3.1947  910.352  116.886  723.584  146.037 186.7679 187.0537 
1 1 1   -3    5   22 o  1945.47  150.284   60.961   9.0839   0.0000   0.0000   60.961   9.0839  ?   ?   1945.47  150.284 0.000000 150.2836 
1 1 1   -3    5   24 o  742.891   93.244   8.8746   2.1212   7.9476   3.0143   9.7840   2.9857  690.705  144.036  772.400  127.925 -81.69568 192.6428 
1 1 1   -3    5   26 o  1382.33   97.072   30.596   4.1750   29.898   5.9119   31.290   5.8969  1349.57  142.031  1382.64  138.052 -33.07458 198.0681 
1 1 1   -3    5   28 o  2739.26  123.474  121.977   10.591  121.384   14.989  122.567   14.966  2673.01  180.136  2687.52  178.865 -14.51123 253.8531 
1 1 1   -3    5   30 o  2072.94  109.549   69.828   7.0854   69.801   10.036   69.855   10.004  2032.27  158.985  2033.64  158.355 -1.375854 224.3936 
1 1 1   -3    5   32 o  2383.67  115.535   93.080   8.6234   98.353   12.214   87.839   12.177  2393.07  163.985  2248.31  174.330 144.7563 239.3364 
1 1 1   -3    5   34 f  1002.05   96.516   16.485   2.9909   16.538   4.2469   16.432   4.2128  977.980  142.901  975.271  142.132 2.709351 201.5493 
1 1 1   -3    5   36 o  2100.57  113.097   73.949   7.4114   69.801   10.488   78.087   10.474  1957.40  172.903  2089.51  161.340 -132.1168 236.4866 
1 1 1   -3    5   38 o  827.105   98.924   11.426   2.5112   13.556   3.5592   9.3147   3.5435  881.015  133.176  709.350  162.961 171.6644 210.4567 
1 1 1   -3    5   40 o  2347.45  180.450  101.826   13.162   0.0000   0.0000  101.826   13.162  ?   ?   2347.45  180.450 0.000000 180.4496 
1 1 1   -3    5   42 o  771.455  153.814   10.852   3.5852   0.0000   0.0000   10.852   3.5852  ?   ?   771.455  153.814 0.000000 153.8139 
1 1 1   -3    5   44 o  1942.82  170.027   71.012   10.239   0.0000   0.0000   71.012   10.239  ?   ?   1942.82  170.027 0.000000 170.0270 
1 1 1   -3    5   46 o  1597.71  162.835   48.559   8.0325   0.0000   0.0000   48.559   8.0325  ?   ?   1597.71  162.835 0.000000 162.8345 
1 1 1   -3    5   48 o  2398.56  208.010  125.765   15.468   0.0000   0.0000  125.765   15.468  ?   ?   2398.56  208.010 0.000000 208.0099 
1 1 1   -3    5   50 o  1892.40  193.973   81.402   11.332   0.0000   0.0000   81.402   11.332  ?   ?   1892.40  193.973 0.000000 193.9734 
1 1 1   -3    5   52 o  1126.10  188.758   32.557   6.4203   0.0000   0.0000   32.557   6.4203  ?   ?   1126.10  188.758 0.000000 188.7576 
1 1 1   -3    5   56 o  699.031  242.946   32.088   6.5085   0.0000   0.0000   32.088   6.5085  ?   ?   699.031  242.946 0.000000 242.9456 
1 1 1   -3    5   58 o  216.706  105.533  -0.0005   2.3024   0.0000   0.0000  -0.0005   2.3024  ?   ?   216.706  105.533 0.000000 105.5327 
1 1 1   -3    5   60 f  ?   ?   171.084   19.731   0.0000   0.0000  171.084   19.731  ?   ?   ?   ?  0.000000      ? 
1 1 1   -3    6    1 o  1132.32  133.217   20.428   4.6330   20.428   4.6330   0.0000   0.0000  1132.32  133.217  ?   ?  0.000000 133.2172 
1 1 1   -3    6    3 o  4549.28  165.739  326.061   23.609  342.090   33.389  310.034   33.388  4646.43  229.495  4413.94  242.501 232.4937 333.8785 
1 1 1   -3    6    5 o  1469.88   96.653   34.050   4.4237   33.199   6.2572   34.900   6.2550  1446.04  139.942  1483.48  136.176 -37.43420 195.2636 
1 1 1   -3    6    7 o  3134.08  129.223  154.494   12.681  155.766   17.935  153.221   17.934  3134.42  183.535  3108.28  185.100 26.13721 260.6664 
1 1 1   -3    6    9 o  1974.39  104.811   61.427   6.4565   59.552   9.1305   63.303   9.1312  1937.03  151.749  1998.27  146.966 -61.23486 211.2508 
1 1 1   -3    6   11 o  581.383  131.479   5.5405   2.3374   5.5405   2.3374   0.0000   0.0000  581.383  131.479  ?   ?  0.000000 131.4787 
1 1 1   -3    6   13 o  1467.31  138.664   34.340   6.2954   34.340   6.2954   0.0000   0.0000  1467.31  138.664  ?   ?  0.000000 138.6639 
1 1 1   -3    6   15 o  2510.09  115.797   99.487   9.1013   93.666   12.875  105.300   12.867  2417.73  171.179  2567.49  160.860 -149.7676 234.9008 
1 1 1   -3    6   17 o  2256.10  110.227   80.384   7.7869   79.613   11.018   81.152   11.006  2229.61  158.862  2251.71  157.086 -22.09692 223.4123 
1 1 1   -3    6   19 o  2619.85  117.423  108.646   9.6327  114.044   13.632  103.263   13.614  2665.57  164.120  2532.62  172.697 132.9465 238.2421 
1 1 1   -3    6   21 o  864.331  133.641   12.160   3.5002   0.0000   0.0000   12.160   3.5002  ?   ?   864.331  133.641 0.000000 133.6413 
1 1 1   -3    6   23 o  1883.42  104.552   56.463   6.1417   54.847   8.6994   58.069   8.6720  1839.35  152.418  1895.04  147.303 -55.68738 211.9656 
1 1 1   -3    6   25 o  1042.41   95.024   17.416   3.0676   15.039   4.3591   19.747   4.3176  950.912  151.482  1100.82  127.625 -149.9116 198.0778 
1 1 1   -3    6   27 o  803.950   94.547   10.459   2.3346   9.6836   3.3161   11.221   3.2874  757.203  145.142  821.124  132.358 -63.92126 196.4307 
1 1 1   -3    6   29 o  1168.71   95.573   22.050   3.4669   20.931   4.9042   23.168   4.9017  1117.82  143.421  1181.04  134.969 -63.21436 196.9420 
1 1 1   -3    6   31 o  2398.65  116.405   93.945   8.7429   84.579   12.366  103.306   12.363  2208.07  180.431  2465.47  161.022 -257.3997 241.8334 
1 1 1   -3    6   33 o  3293.30  141.674  183.058   14.610  177.886   20.675  188.215   20.647  3101.74  214.191  3207.54  206.674 -105.8035 297.6434 
1 1 1   -3    6   35 o  1380.26  100.358   31.426   4.3077   30.392   6.1289   32.436   6.0558  1316.02  151.497  1367.20  143.602 -51.17883 208.7407 
1 1 1   -3    6   37 o  261.943   96.373   0.9333   1.0393   0.8975   1.4772   0.9684   1.4625  285.988  112.502  288.832  112.424 -2.843292 159.0462 
1 1 1   -3    6   39 o  3561.25  153.446  222.521   17.111  221.644   24.210  223.396   24.188  3322.42  234.210  3340.14  232.720 -17.72827 330.1714 
1 1 1   -3    6   41 o  1023.97   98.454   17.401   3.1178   16.191   4.4233   18.595   4.3953  950.747  153.837  1030.74  139.790 -79.98907 207.8636 
1 1 1   -3    6   43 f  2079.73  172.292   80.386   11.119   0.0000   0.0000   80.386   11.119  ?   ?   2079.73  172.292 0.000000 172.2918 
1 1 1   -3    6   45 o  857.214  151.047   13.601   3.9062   0.0000   0.0000   13.601   3.9062  ?   ?   857.214  151.047 0.000000 151.0468 
1 1 1   -3    6   47 o  1863.33  172.247   67.795   9.9361   0.0000   0.0000   67.795   9.9361  ?   ?   1863.33  172.247 0.000000 172.2468 
1 1 1   -3    6   49 o  750.838  164.183   11.492   3.7525   0.0000   0.0000   11.492   3.7525  ?   ?   750.838  164.183 0.000000 164.1828 
1 1 1   -3    6   51 o  2191.58  394.478  242.647   26.075   0.0000   0.0000  242.647   26.075  ?   ?   2191.58  394.478 0.000000 394.4777 
1 1 1   -3    6   55 o  1008.53  289.342   63.558   9.6134   0.0000   0.0000   63.558   9.6134  ?   ?   1008.53  289.342 0.000000 289.3423 
1 1 1   -3    6   57 o  337.203  148.803   5.4531   3.0736   0.0000   0.0000   5.4531   3.0736  ?   ?   337.203  148.803 0.000000 148.8035 
1 1 1   -3    6   59 o  387.998  197.072   95.839   12.770   0.0000   0.0000   95.839   12.770  ?   ?   387.998  197.072 0.000000 197.0724 
1 1 1   -3    6   61 o  235.702  116.138   4.3486   3.0501   0.0000   0.0000   4.3486   3.0501  ?   ?   235.702  116.138 0.000000 116.1385 
1 1 1   -3    7    2 f  1466.27  138.367   34.137   6.2776   0.0000   0.0000   34.137   6.2776  ?   ?   1466.27  138.367 0.000000 138.3666 
1 1 1   -3    7    4 o  2247.06  156.966   80.006   10.975   0.0000   0.0000   80.006   10.975  ?   ?   2247.06  156.966 0.000000 156.9660 
1 1 1   -3    7    6 o  1569.19  140.417   39.101   6.8265   0.0000   0.0000   39.101   6.8265  ?   ?   1569.19  140.417 0.000000 140.4169 
1 1 1   -3    7    8 o  2570.88  116.522  104.007   9.3801  104.575   13.265  103.440   13.266  2566.00  165.984  2551.77  166.948 14.23950 235.4192 
1 1 1   -3    7   12 o  766.427  133.937   9.5487   3.0973   9.5487   3.0973   0.0000   0.0000  766.427  133.937  ?   ?  0.000000 133.9372 
1 1 1   -3    7   14 o  1002.66  133.358   16.184   4.0830   16.184   4.0830   0.0000   0.0000  1002.66  133.358  ?   ?  0.000000 133.3582 
1 1 1   -3    7   16 o  1774.75  101.993   49.823   5.6441   48.456   7.9874   51.187   7.9766  1740.31  147.979  1790.11  143.511 -49.80176 206.1390 
1 1 1   -3    7   18 o  4565.29  168.041  333.359   24.022  342.530   33.978  324.194   33.965  4573.84  238.068  4443.66  245.053 130.1787 341.6540 
1 1 1   -3    7   20 o  1360.53  137.736   29.766   5.7870   0.0000   0.0000   29.766   5.7870  ?   ?   1360.53  137.736 0.000000 137.7365 
1 1 1   -3    7   22 o  2060.61  107.365   67.557   6.9035   68.081   9.7736   67.035   9.7526  2051.85  153.228  2035.56  154.153 16.29260 217.3525 
1 1 1   -3    7   24 o  487.142   99.304   3.9069   1.4634   3.1323   2.0714   4.6788   2.0676  440.522  136.276  529.571  126.438 -89.04926 185.8969 
1 1 1   -3    7   26 o  2854.23  125.933  131.830   11.255  128.755   15.928  134.896   15.906  2764.32  185.085  2834.97  180.117 -70.64893 258.2608 
1 1 1   -3    7   28 o  1029.63   95.309   17.111   3.0379   14.381   4.3095   19.807   4.2832  920.646  154.998  1096.28  127.135 -175.6373 200.4688 
1 1 1   -3    7   30 o  1771.23  104.604   50.834   5.7757   46.230   8.1817   55.409   8.1547  1651.99  160.180  1822.52  144.069 -170.5314 215.4383 
1 1 1   -3    7   32 o  1421.70  100.223   32.905   4.4330   29.530   6.2917   36.233   6.2471  1311.40  156.298  1468.14  137.493 -156.7405 208.1666 
1 1 1   -3    7   34 o  1301.34   99.137   27.801   4.0093   26.501   5.6983   29.076   5.6420  1234.42  150.541  1301.53  140.679 -67.10645 206.0415 
1 1 1   -3    7   36 o  1158.57   98.519   22.152   3.5401   21.122   5.0307   23.163   4.9826  1095.19  150.688  1155.46  140.616 -60.26453 206.1060 
1 1 1   -3    7   38 o  1584.90  104.145   41.528   5.1396   34.760   7.2849   48.236   7.2522  1389.34  171.068  1674.25  139.609 -284.9048 220.8055 
1 1 1   -3    7   40 o  2549.46  122.052  109.215   9.7434   97.130   13.773  121.321   13.785  2283.59  194.470  2601.38  170.176 -317.7915 258.4153 
1 1 1   -3    7   42 o  1810.28  107.245   54.739   6.0521   55.244   8.5716   54.236   8.5463  1757.04  157.469  1739.24  158.675 17.80408 223.5487 
1 1 1   -3    7   44 o  854.364  100.094   12.301   2.6270   13.682   3.7233   10.932   3.7070  873.233  140.972  764.944  159.914 108.2888 213.1802 
1 1 1   -3    7   46 o  2366.25  191.888  111.835   14.095   0.0000   0.0000  111.835   14.095  ?   ?   2366.25  191.888 0.000000 191.8881 
1 1 1   -3    7   48 o  2017.12  181.648   82.618   11.350   0.0000   0.0000   82.618   11.350  ?   ?   2017.12  181.648 0.000000 181.6477 
1 1 1   -3    7   50 o  2024.22  205.023   97.923   12.816   0.0000   0.0000   97.923   12.816  ?   ?   2024.22  205.023 0.000000 205.0234 
1 1 1   -3    7   54 o  470.885  169.964   7.3852   3.2104   0.0000   0.0000   7.3852   3.2104  ?   ?   470.885  169.964 0.000000 169.9641 
1 1 1   -3    7   56 o  975.685  223.898   41.800   6.6953   28.966   13.031   46.403   7.8041  ?   ?   834.774  265.427 0.000000 265.4274 
1 1 1   -3    7   58 o  415.742  171.465   10.741   3.6127   12.149   11.535   10.588   3.8041  ?   ?   392.287  169.428 0.000000 169.4284 
1 1 1   -3    7   60 o  470.222  211.298   39.238   6.4921   35.151   14.441   40.273   7.2679  ?   ?   387.116  188.290 0.000000 188.2899 
1 1 1   -3    8    1 o  4577.69  167.299  331.336   23.980  332.988   33.912  329.682   33.915  4560.25  238.317  4536.96  239.581 23.28857 337.9264 
1 1 1   -3    8    3 o  2875.65  176.813  131.418   15.844   0.0000   0.0000  131.418   15.844  ?   ?   2875.65  176.813 0.000000 176.8132 
1 1 1   -3    8    5 o  2099.09  153.346   69.973   10.009   0.0000   0.0000   69.973   10.009  ?   ?   2099.09  153.346 0.000000 153.3456 
1 1 1   -3    8    7 o  3785.58  209.584  229.259   24.746   0.0000   0.0000  229.259   24.746  ?   ?   3785.58  209.584 0.000000 209.5836 
1 1 1   -3    8   11 o  2608.25  117.432  107.319   9.5907  101.888   13.560  112.755   13.566  2524.81  172.557  2659.24  163.722 -134.4351 237.8670 
1 1 1   -3    8   13 o  1531.40  140.702   37.457   6.6715   37.457   6.6715   0.0000   0.0000  1531.40  140.702  ?   ?  0.000000 140.7021 
1 1 1   -3    8   15 f  4008.85  152.099  255.413   19.093  241.975   26.996  268.861   27.006  3862.56  224.172  4079.41  212.149 -216.8442 308.6428 
1 1 1   -3    8   17 o  2076.48  107.470   68.257   6.9638   65.711   9.8491   70.803   9.8474  2024.77  156.563  2104.01  150.464 -79.24048 217.1435 
1 1 1   -3    8   21 o  1439.60  139.898   33.459   6.2266   0.0000   0.0000   33.459   6.2266  ?   ?   1439.60  139.898 0.000000 139.8980 
1 1 1   -3    8   23 o  1508.40   99.132   36.307   4.6561   33.169   6.5955   39.424   6.5740  1424.07  150.175  1559.50  135.986 -135.4287 202.5950 
1 1 1   -3    8   25 o  1313.23   97.141   27.644   3.9661   25.989   5.6238   29.281   5.5942  1255.03  145.824  1337.51  135.443 -82.48401 199.0216 
1 1 1   -3    8   27 o  1285.52   96.429   26.569   3.8532   24.883   5.4510   28.254   5.4477  1223.87  145.063  1310.04  134.724 -86.16394 197.9741 
1 1 1   -3    8   29 o  835.433   95.282   11.324   2.4479   9.1984   3.4703   13.430   3.4535  730.933  156.358  899.756  126.039 -168.8225 200.8321 
1 1 1   -3    8   31 o  736.586   98.759   8.8985   2.2205   8.9751   3.2156   8.8286   3.0699  721.407  147.332  717.667  141.639 3.740051 204.3736 
1 1 1   -3    8   33 o  404.865  107.777   2.7798   1.3905   1.8656   2.0207   3.6020   1.9164  363.633  134.281  457.630  128.473 -93.99719 185.8408 
1 1 1   -3    8   35 o  1392.69  100.701   31.901   4.3619   27.620   6.1875   36.130   6.1498  1249.45  161.965  1454.09  136.673 -204.6378 211.9249 
1 1 1   -3    8   37 o  1902.70  108.705   59.844   6.4496   55.126   9.1370   64.529   9.1053  1763.82  167.443  1928.53  152.014 -164.7097 226.1538 
1 1 1   -3    8   39 o  740.285  103.126   9.1349   2.3255   5.9759   3.3246   12.161   3.2542  572.888  171.744  843.907  127.092 -271.0184 213.6547 
1 1 1   -3    8   41 o  1413.36  101.677   33.032   4.4698   31.467   6.3439   34.574   6.2987  1334.43  154.694  1408.92  144.836 -74.49500 211.9143 
1 1 1   -3    8   43 o  2482.17  121.700  104.810   9.4589   90.719   13.371  118.925   13.382  2165.37  199.451  2549.52  168.584 -384.1489 261.1538 
1 1 1   -3    8   45 o  1223.11  100.530   25.136   3.8161   23.817   5.3721   26.480   5.4217  1140.37  154.418  1212.22  145.758 -71.85547 212.3447 
1 1 1   -3    8   47 o  826.060  153.796   12.868   3.8317   12.868   3.8317   0.0000   0.0000  826.060  153.796  ?   ?  0.000000 153.7962 
1 1 1   -3    8   49 o  295.970  125.409   0.7163   2.0127   0.0000   0.0000   0.7163   2.0127  ?   ?   295.970  125.409 0.000000 125.4093 
1 1 1   -3    8   53 o  1594.20  139.738   57.949   6.9051   82.412   12.982   48.296   8.1544  1111.27  340.724  1203.07  224.727 -91.80383 408.1609 
1 1 1   -3    8   55 o  787.724  190.600   21.005   4.6503   19.353   11.448   21.331   5.0892  ?   ?   721.433  211.555 0.000000 211.5555 
1 1 1   -3    8   57 o  373.487  155.840   6.4626   3.0340   2.3352   11.672   6.7617   3.1420  ?   ?   375.368  157.739 0.000000 157.7394 
1 1 1   -3    8   59 o  633.640  257.721   57.820   8.0208   49.503   15.889   60.664   9.2916  ?   ?   461.154  221.469 0.000000 221.4686 
1 1 1   -3    9    2 o  1990.93  105.734   62.534   6.5679   66.987   9.2909   58.086   9.2859  2054.03  145.395  1909.75  156.665 144.2767 213.7375 
1 1 1   -3    9    4 o  1301.52  137.197   27.035   5.5071   27.035   5.5071   0.0000   0.0000  1301.52  137.197  ?   ?  0.000000 137.1969 
1 1 1   -3    9    6 f  2151.50  108.750   73.066   7.3026   74.890   10.328   71.243   10.327  2169.74  152.993  2115.08  157.053 54.66089 219.2544 
1 1 1   -3    9    8 o  2953.23  125.584  137.656   11.613  140.841   16.423  134.471   16.424  2970.29  177.389  2900.73  181.740 69.56201 253.9614 
1 1 1   -3    9   10 o  4408.26  235.482  314.314   32.387   0.0000   0.0000  314.314   32.387  ?   ?   4408.26  235.482 0.000000 235.4822 
1 1 1   -3    9   14 o  566.431  136.119   5.2836   2.3843   0.0000   0.0000   5.2836   2.3843  ?   ?   566.431  136.119 0.000000 136.1192 
1 1 1   -3    9   18 o  2096.23  108.015   69.665   7.0658   69.681   9.9898   69.650   9.9953  2083.09  154.251  2082.58  154.376 0.5053711 218.2326 
1 1 1   -3    9   20 o  2536.84  168.756  104.378   13.329   0.0000   0.0000  104.378   13.329  ?   ?   2536.84  168.756 0.000000 168.7556 
1 1 1   -3    9   24 o  1118.22  138.348   20.540   4.7408   20.540   4.7408   0.0000   0.0000  1118.22  138.348  ?   ?  0.000000 138.3479 
1 1 1   -3    9   26 o  1724.60  148.546   49.070   7.9434   49.070   7.9434   0.0000   0.0000  1724.60  148.546  ?   ?  0.000000 148.5457 
1 1 1   -3    9   28 o  337.460  106.443   1.8159   1.2570   0.9431   1.8115   2.6264   1.7457  313.952  124.239  402.024  125.226 -88.07202 176.3998 
1 1 1   -3    9   30 o  920.576   96.767   13.767   2.7476   12.040   3.8940   15.480   3.8774  837.539  154.163  962.545  132.135 -125.0064 203.0414 
1 1 1   -3    9   32 o  1051.34   98.430   18.053   3.2026   16.011   4.5758   20.014   4.4839  959.498  157.789  1088.88  134.359 -129.3790 207.2432 
1 1 1   -3    9   34 o  867.023   99.619   12.389   2.6554   10.790   3.8050   13.908   3.7075  778.198  161.443  901.277  135.572 -123.0787 210.8166 
1 1 1   -3    9   36 o  459.739  110.316   3.6046   1.5678   5.2045   2.2351   2.0549   2.1997  547.116  131.987  378.918  140.067 168.1986 192.4560 
1 1 1   -3    9   38 o  372.199  111.547   2.3161   1.4026   2.6300   2.0056   2.0156   1.9622  402.326  134.988  368.661  132.907 33.66428 189.4360 
1 1 1   -3    9   40 o  1541.25  102.753   39.099   4.9305   35.844   6.9804   42.340   6.9652  1428.66  158.722  1568.97  143.359 -140.3096 213.8796 
1 1 1   -3    9   42 o  2711.89  128.096  125.022   10.877  117.773   15.398  132.244   15.368  2493.60  198.857  2674.46  184.645 -180.8562 271.3633 
1 1 1   -3    9   44 o  580.815  113.830   5.8477   1.9962   3.1449   2.8426   8.4770   2.8038  436.029  159.542  690.530  134.507 -254.5009 208.6761 
1 1 1   -3    9   46 o  1219.57  100.783   25.052   3.8142   23.287   5.3625   26.859   5.4262  1122.52  156.851  1219.37  144.955 -96.85620 213.5748 
1 1 1   -3    9   48 o  1844.97   99.066   58.139   5.7021   55.035   7.2806   63.065   9.1707  1734.43  135.124  1795.97  164.918 -61.53357 213.2054 
1 1 1   -3    9   50 o  1780.72  102.134   56.807   5.6711   54.555   7.3107   60.211   8.9863  1649.61  142.947  1640.65  177.766 8.960083 228.1116 
1 1 1   -3    9   52 f  545.247  168.928   7.8557   3.1816   16.674   9.9994   6.8624   3.3560  475.081  228.557  492.098  174.195 -17.01669 287.3710 
1 1 1   -3    9   54 o  710.914  188.512   16.059   4.2647   12.465   11.242   16.663   4.6093  368.451  186.917  685.666  201.411 -317.2148 274.7805 
1 1 1   -3    9   56 o  688.549  196.412   18.824   4.4423   28.741   11.654   17.138   4.8051  ?   ?   566.743  207.418 0.000000 207.4178 
1 1 1   -3    9   58 o  1556.23  205.499  109.059   9.7689  169.926   17.449   81.272   11.790  492.673  247.989  490.731  238.941 1.942322 344.3712 
1 1 1   -3    9   60 o  442.028  190.827   22.056   4.8214   48.368   13.644   18.302   5.1539  ?   ?   343.917  165.107 0.000000 165.1065 
1 1 1   -3   10    1 o  4029.73  220.320  260.902   27.695  260.902   27.695   0.0000   0.0000  4029.73  220.320  ?   ?  0.000000 220.3195 
1 1 1   -3   10    3 o  3205.55  131.577  162.230   13.207  157.484   18.670  166.984   18.684  3138.39  190.894  3233.91  185.289 -95.51270 266.0309 
1 1 1   -3   10    5 o  4707.46  171.605  352.013   25.295  351.408   35.768  352.618   35.776  4662.34  245.877  4670.61  245.489 -8.271973 347.4481 
1 1 1   -3   10    7 o  424.454  130.433   2.8439   1.9012   2.8439   1.9012   0.0000   0.0000  424.454  130.433  ?   ?  0.000000 130.4328 
1 1 1   -3   10    9 o  1226.86   95.304   23.820   3.6325   24.476   5.1414   23.167   5.1327  1237.22  134.901  1202.53  138.864 34.69067 193.6018 
1 1 1   -3   10   13 o  2021.57  106.503   64.612   6.7179   67.492   9.5079   61.741   9.4933  2056.96  148.619  1965.14  155.549 91.81299 215.1351 
1 1 1   -3   10   15 o  2613.35  169.829  109.575   13.822   0.0000   0.0000  109.575   13.822  ?   ?   2613.35  169.829 0.000000 169.8286 
1 1 1   -3   10   17 o  2701.87  173.321  117.735   14.586   0.0000   0.0000  117.735   14.586  ?   ?   2701.87  173.321 0.000000 173.3211 
1 1 1   -3   10   25 o  904.105  141.670   13.582   3.8789   13.582   3.8789   0.0000   0.0000  904.105  141.670  ?   ?  0.000000 141.6698 
1 1 1   -3   10   27 o  516.549  141.305   4.5082   2.3516   4.5082   2.3516   0.0000   0.0000  516.549  141.305  ?   ?  0.000000 141.3045 
1 1 1   -3   10   29 o  264.009  100.916   0.7919   1.1631   0.6502   1.5207   0.9916   1.8054  281.104  112.966  315.241  124.257 -34.13684 167.9321 
1 1 1   -3   10   31 o  472.787  112.469   3.7839   1.6408   4.4028   2.2857   3.1259   2.3568  505.822  139.698  438.643  146.332 67.17871 202.3084 
1 1 1   -3   10   33 o  1964.37  108.856   63.253   6.6695   61.513   9.4366   64.990   9.4276  1887.73  161.191  1946.27  156.008 -58.53723 224.3232 
1 1 1   -3   10   35 o  547.968  112.443   5.0821   1.8646   3.0128   2.6522   7.1047   2.6221  437.935  154.875  641.863  134.754 -203.9276 205.2918 
1 1 1   -3   10   37 o  3717.00  154.809  235.499   18.018  218.044   25.491  252.926   25.471  3378.55  242.571  3695.45  221.140 -316.8940 328.2433 
1 1 1   -3   10   39 o  1376.69   99.921   31.006   4.2780   27.968   6.0395   34.065   6.0605  1269.86  155.113  1416.25  138.434 -146.3942 207.9042 
1 1 1   -3   10   41 o  1762.53  157.268   54.526   8.5883   54.526   8.5883   0.0000   0.0000  1762.53  157.268  ?   ?  0.000000 157.2682 
1 1 1   -3   10   43 o  2631.03  125.568  117.533   10.345  111.183   14.628  123.886   14.632  2427.87  194.036  2590.38  181.538 -162.5112 265.7183 
1 1 1   -3   10   45 o  594.848  105.930   6.0596   1.9007   5.5037   2.5870   6.7117   2.8019  547.521  147.560  604.321  149.011 -56.79956 209.7096 
1 1 1   -3   10   47 o  2301.85   99.321   89.342   7.1587   87.358   9.0999   92.565   11.596  2214.30  131.842  2193.83  170.134 20.46533 215.2392 
1 1 1   -3   10   49 o  1158.39   93.474   23.229   3.3616   23.369   4.4926   23.051   5.0673  1112.49  131.511  1070.43  155.750 42.06396 203.8465 
1 1 1   -3   10   51 o  1951.17  101.799   70.219   6.1980   71.423   7.9943   68.405   9.8132  1852.57  138.821  1630.09  196.198 222.4844 240.3430 
1 1 1   -3   10   53 o  999.374  104.950   19.695   3.2351   18.192   4.3048   21.645   4.9038  834.838  170.444  884.925  183.015 -50.08704 250.0912 
1 1 1   -3   10   55 o  927.930  205.477   30.539   5.8128   22.139   13.387   32.491   6.4528  ?   ?   865.619  232.943 0.000000 232.9430 
1 1 1   -3   10   57 o  1254.61  219.609   69.095   8.3130   85.517   15.905   62.923   9.7510  ?   ?   697.242  283.940 0.000000 283.9401 
1 1 1   -3   10   59 o  307.255  143.641   6.3408   3.4320   17.453   13.241   5.5406   3.5534  ?   ?   290.091  138.685 0.000000 138.6854 
1 1 1   -3   11    2 o  4099.02  156.202  266.153   20.049  266.153   20.049   0.0000   0.0000  4099.02  156.202  ?   ?  0.000000 156.2024 
1 1 1   -3   11    4 o  3758.82  145.070  223.485   17.074  223.485   17.074   0.0000   0.0000  3758.82  145.070  ?   ?  0.000000 145.0705 
1 1 1   -3   11    6 o  1634.87  147.142   42.634   7.4518   42.634   7.4518   0.0000   0.0000  1634.87  147.142  ?   ?  0.000000 147.1421 
1 1 1   -3   11    8 o  3293.70  134.043  171.471   13.824  169.926   19.548  173.018   19.554  3257.12  192.520  3287.38  190.780 -30.26416 271.0368 
1 1 1   -3   11   12 o  1483.03   98.290   34.796   4.5384   37.008   6.4379   32.611   6.3989  1522.51  136.490  1426.55  145.280 95.96387 199.3382 
1 1 1   -3   11   14 o  1388.52  139.932   30.920   6.0010   0.0000   0.0000   30.920   6.0010  ?   ?   1388.52  139.932 0.000000 139.9322 
1 1 1   -3   11   16 o  2148.37  156.804   74.251   10.475   0.0000   0.0000   74.251   10.475  ?   ?   2148.37  156.804 0.000000 156.8040 
1 1 1   -3   11   18 o  1382.55  140.447   30.892   5.9957   0.0000   0.0000   30.892   5.9957  ?   ?   1382.55  140.447 0.000000 140.4474 
1 1 1   -3   11   20 o  831.827  142.540   11.427   3.5791   11.427   3.5791   0.0000   0.0000  831.827  142.540  ?   ?  0.000000 142.5401 
1 1 1   -3   11   22 o  1961.92  155.126   62.982   9.4521   0.0000   0.0000   62.982   9.4521  ?   ?   1961.92  155.126 0.000000 155.1265 
1 1 1   -3   11   24 o  1949.83  155.492   62.487   9.4145   0.0000   0.0000   62.487   9.4145  ?   ?   1949.83  155.492 0.000000 155.4916 
1 1 1   -3   11   32 o  1742.28  153.012   51.554   8.2630   51.554   8.2630   0.0000   0.0000  1742.28  153.012  ?   ?  0.000000 153.0122 
1 1 1   -3   11   34 o  490.958  146.791   4.1242   2.4311   4.1242   2.4311   0.0000   0.0000  490.958  146.791  ?   ?  0.000000 146.7912 
1 1 1   -3   11   36 o  1422.87  101.122   32.919   4.4760   30.339   6.2948   35.558   6.3658  1334.20  153.472  1453.92  141.627 -119.7208 208.8345 
1 1 1   -3   11   38 o  1371.77  109.931   30.911   4.6822   30.911   4.6822   0.0000   0.0000  1371.77  109.931  ?   ?  0.000000 109.9307 
1 1 1   -3   11   40 o  1093.26   94.822   19.540   3.2139   17.712   4.2235   22.055   4.9535  1018.42  135.828  1133.21  142.767 -114.7956 197.0575 
1 1 1   -3   11   42 o  1613.55   88.383   42.389   4.4485   43.400   5.7512   40.883   7.0187  1611.91  114.695  1533.01  148.059 78.90344 187.2871 
1 1 1   -3   11   44 o  1546.50   94.452   39.371   4.5518   38.643   5.9141   40.428   7.1294  1503.15  126.838  1509.61  152.936 -6.457520 198.6884 
1 1 1   -3   11   46 o  937.250   97.231   14.758   2.8120   16.426   3.7571   12.633   4.2401  967.129  127.145  810.784  172.324 156.3448 214.1531 
1 1 1   -3   11   48 o  1831.03   95.533   57.315   5.4583   65.339   7.0862   45.609   8.5590  1911.86  118.959  1463.30  191.385 448.5599 225.3435 
1 1 1   -3   11   50 o  1042.41  151.435   22.723   4.7983   22.723   4.7983   0.0000   0.0000  1042.41  151.435  ?   ?  0.000000 151.4349 
1 1 1   -3   11   52 o  1645.59  101.254   51.158   5.1920   52.253   6.7945   49.622   8.0492  1541.56  142.369  1345.63  196.856 195.9337 242.9427 
1 1 1   -3   11   54 o  1470.44  105.026   43.720   4.8039   46.925   6.3105   39.304   7.4083  1380.77  148.279  998.690  239.904 382.0787 282.0296 
1 1 1   -3   11   56 o  260.049  123.265   0.6118   2.6886  -1.9599   11.741   0.7541   2.7620  ?   ?   263.858  125.031 0.000000 125.0313 
1 1 1   -3   11   58 o  903.361  265.779   58.451   8.0206   62.074   16.160   57.266   9.2388  ?   ?   582.899  257.567 0.000000 257.5667 
1 1 1   -3   12    1 o  2162.83   89.244   73.531   6.0439   73.751   7.3884   73.087   10.508  2161.14  109.539  2141.61  157.811 19.52856 192.1017 
1 1 1   -3   12    3 o  3357.30  110.837  177.575   11.652  172.203   14.267  188.336   20.192  3300.47  138.048  3432.45  188.595 -131.9731 233.7204 
1 1 1   -3   12    5 o  682.425   85.165   7.4315   1.7802   7.8552   2.1831   6.5906   3.0758  699.050  102.804  632.404  156.237 66.64551 187.0256 
1 1 1   -3   12    7 o  2149.01  112.128   73.005   7.5190   73.005   7.5190   0.0000   0.0000  2149.01  112.128  ?   ?  0.000000 112.1277 
1 1 1   -3   12    9 o  805.028  103.586   10.377   2.5505   10.377   2.5505   0.0000   0.0000  805.028  103.586  ?   ?  0.000000 103.5856 
1 1 1   -3   12   11 o  1806.64  152.646   52.267   8.5544   52.267   8.5544   0.0000   0.0000  1806.64  152.646  ?   ?  0.000000 152.6459 
1 1 1   -3   12   13 o  2939.76  183.875  139.488   16.841  139.488   16.841   0.0000   0.0000  2939.76  183.875  ?   ?  0.000000 183.8753 
1 1 1   -3   12   15 o  1064.01   81.967   17.944   2.7099   17.824   3.3754   18.162   4.5450  1056.63  103.344  1058.23  140.648 -1.600952 174.5334 
1 1 1   -3   12   17 o  1110.16  101.110   19.679   3.4762   25.869   5.8269   16.259   4.3315  1260.73  150.585  998.019  142.665 262.7065 207.4347 
1 1 1   -3   12   19 o  918.468   86.131   13.454   2.4482   14.108   3.1720   12.490   3.8500  935.388  110.430  869.665  146.596 65.72260 183.5351 
1 1 1   -3   12   21 o  882.063  101.191   12.525   2.7443   13.606   3.8105   11.360   3.9556  909.707  138.110  823.417  159.178 86.28979 210.7415 
1 1 1   -3   12   25 o  2418.85   98.195   93.317   7.4373   90.702   9.1846   98.298   12.675  2368.71  124.265  2435.61  167.212 -66.90332 208.3308 
1 1 1   -3   12   29 o  548.736  146.380   5.1681   2.5616   12.699   5.7712   3.3205   2.8586  831.889  218.676  461.840  160.978 370.0488 271.5385 
1 1 1   -3   12   31 o  1662.20  189.326   48.292   9.6781   48.292   9.6781   0.0000   0.0000  1662.20  189.326  ?   ?  0.000000 189.3260 
1 1 1   -3   12   33 o  631.028  235.248   6.4969   6.2311   6.4969   6.2311   0.0000   0.0000  631.028  235.248  ?   ?  0.000000 235.2477 
1 1 1   -3   12   35 o  1449.77  116.258   34.409   5.2333   37.679   8.7995   32.620   6.5096  1461.08  197.392  1390.28  152.009 70.80017 249.1392 
1 1 1   -3   12   37 o  1317.69  221.254   31.901   8.8054   31.901   8.8054   0.0000   0.0000  1317.69  221.254  ?   ?  0.000000 221.2538 
1 1 1   -3   12   39 o  587.685  115.105   5.8422   2.0424   6.0919   2.7123   5.5152   3.1038  589.613  147.329  558.597  165.600 31.01599 221.6513 
1 1 1   -3   12   41 o  2130.10  124.845   75.911   8.2907   75.911   8.2907   0.0000   0.0000  2130.10  124.845  ?   ?  0.000000 124.8454 
1 1 1   -3   12   43 o  2551.27  100.674  106.826   8.0425  112.726   10.112   96.667   13.269  2589.07  124.729  2298.77  185.928 290.2959 223.8896 
1 1 1   -3   12   45 o  1011.60  132.297   17.878   4.0902   17.878   4.0902   0.0000   0.0000  1011.60  132.297  ?   ?  0.000000 132.2973 
1 1 1   -3   12   47 o  393.503  126.461   2.7774   1.7679   1.8189   2.2187   4.4444   2.9260  353.947  138.278  478.548  163.032 -124.6004 213.7755 
1 1 1   -3   12   49 o  404.886  144.079   3.2440   2.2988   3.2440   2.2988   0.0000   0.0000  404.886  144.079  ?   ?  0.000000 144.0795 
1 1 1   -3   12   51 o  561.606  133.120   6.5975   2.3052   8.1141   2.9342   4.1515   3.7262  595.180  155.667  410.322  172.069 184.8588 232.0344 
1 1 1   -3   12   53 o  1742.09  107.325   59.946   5.8260   65.864   7.5685   51.340   9.1271  1692.78  144.161  1142.90  260.797 549.8732 297.9888 
1 1 1   -3   12   55 o  1100.87  190.427   38.128   6.3266   56.154   14.350   33.779   7.0486  469.964  234.917  824.852  250.705 -354.8878 343.5679 
1 1 1   -3   12   57 o  1051.70  124.651   27.321   4.0250   26.462   5.2290   28.569   6.3054  785.174  208.994  631.743  236.423 153.4307 315.5539 
1 1 1   -3   13    2 f  3813.79  119.501  229.581   14.271  214.409   17.464  260.069   24.757  3676.52  151.704  4031.56  196.110 -355.0432 247.9379 
1 1 1   -3   13    4 o  421.968  102.872   2.9168   1.3469   3.6969   1.5985   1.0065   2.5013  474.867  109.710  362.071  145.099 112.7963 181.9062 
1 1 1   -3   13    6 o  949.333   82.408   14.275   2.4253   14.394   2.9698   14.038   4.2025  950.493  101.348  929.246  149.499 21.24750 180.6142 
1 1 1   -3   13    8 o  417.473  100.048   2.8571   1.2908   3.0775   1.6128   2.4645   2.1527  433.940  116.324  410.235  139.840 23.70468 181.8970 
1 1 1   -3   13   10 f  351.358  103.104   1.9812   1.2084   1.9845   1.5279   1.9757   1.9749  360.763  117.698  377.748  133.637 -16.98474 178.0776 
1 1 1   -3   13   12 o  3177.16  133.501  160.529   13.281  160.529   13.281   0.0000   0.0000  3177.16  133.501  ?   ?  0.000000 133.5011 
1 1 1   -3   13   14 o  2029.19  110.412   65.450   6.9891   65.450   6.9891   0.0000   0.0000  2029.19  110.412  ?   ?  0.000000 110.4124 
1 1 1   -3   13   18 o  915.466  144.997   13.780   4.0179   13.780   4.0179   0.0000   0.0000  915.466  144.997  ?   ?  0.000000 144.9971 
1 1 1   -3   13   20 o  491.444  117.866   4.0064   1.7904   5.2944   2.4810   2.6067   2.5863  562.868  141.051  429.165  152.812 133.7023 207.9591 
1 1 1   -3   13   22 o  1248.39  105.837   24.999   4.0982   32.327   6.7019   20.622   5.1794  1402.96  155.157  1118.46  151.815 284.4917 217.0748 
1 1 1   -3   13   24 o  868.800   93.206   12.135   2.4960   11.209   3.2251   13.517   3.9414  824.772  129.114  902.249  144.381 -77.47668 193.6909 
1 1 1   -3   13   26 o  2939.42  102.515  138.368   9.4356  138.324   11.637  138.454   16.121  2921.36  127.218  2869.44  180.335 51.91528 220.6925 
1 1 1   -3   13   28 o  1874.98  155.520   58.696   9.0482   58.696   9.0482   0.0000   0.0000  1874.98  155.520  ?   ?  0.000000 155.5200 
1 1 1   -3   13   30 o  239.249  102.293   0.0056   1.3606  -0.0767   1.6560   0.1765   2.3865  259.913  112.023  318.952  135.902 -59.03918 176.1207 
1 1 1   -3   13   32 o  1113.04   91.141   19.931   3.1486   18.694   4.0232   21.888   5.0579  1066.14  122.758  1144.71  144.317 -78.57361 189.4649 
1 1 1   -3   13   34 o  1518.60  202.091   40.396   9.3711   40.396   9.3711   0.0000   0.0000  1518.60  202.091  ?   ?  0.000000 202.0914 
1 1 1   -3   13   36 o  2666.03  122.061  116.014   10.190  133.061   15.290  102.395   13.667  2790.57  175.889  2442.10  179.990 348.4639 251.6612 
1 1 1   -3   13   38 o  1748.59  204.035   54.813   10.961   54.813   10.961   0.0000   0.0000  1748.59  204.035  ?   ?  0.000000 204.0350 
1 1 1   -3   13   40 o  590.297  251.757   3.7249   8.2038   3.7249   8.2038   0.0000   0.0000  590.297  251.757  ?   ?  0.000000 251.7566 
1 1 1   -3   13   42 f  1618.62  129.637   44.125   6.5153   39.846   11.210   46.307   8.0065  1393.62  266.595  1630.42  158.846 -236.8008 310.3305 
1 1 1   -3   13   44 o  2973.84  101.846  145.922   9.4837  168.283   11.937  107.651   15.617  3161.24  120.592  2353.19  214.286 808.0444 245.8883 
1 1 1   -3   13   46 o  1001.30  104.662   17.098   3.2330   19.100   4.1931   14.162   5.0769  1034.57  132.479  826.660  198.613 207.9086 238.7426 
1 1 1   -3   13   48 o  459.247  147.846   4.2106   2.4156   4.2106   2.4156   0.0000   0.0000  459.247  147.846  ?   ?  0.000000 147.8462 
1 1 1   -3   13   50 o  811.636  168.080   14.740   4.1311   14.740   4.1311   0.0000   0.0000  811.636  168.080  ?   ?  0.000000 168.0801 
1 1 1   -3   13   52 o  956.162  119.160   18.315   3.4902   22.114   4.4576   12.297   5.6108  998.646  146.945  552.701  218.672 445.9450 263.4585 
1 1 1   -3   13   54 o  725.016  208.070   18.257   4.9706   46.350   13.125   13.553   5.3707  527.894  255.896  531.159  212.702 -3.265869 332.7538 
1 1 1   -3   13   56 o  265.120  120.584   1.0713   2.1918   1.0713   2.1918   0.0000   0.0000  265.120  120.584  ?   ?  0.000000 120.5840 
1 1 1   -3   14    1 o  1609.90   83.774   40.884   4.2084   39.480   5.1226   43.799   7.3813  1578.67  104.216  1654.76  143.889 -76.08716 177.6652 
1 1 1   -3   14    3 o  2384.75   93.040   89.581   6.9475   86.203   8.4979   96.391   12.065  2335.39  116.207  2455.01  157.784 -119.6169 195.9593 
1 1 1   -3   14    5 o  1392.16  102.424   30.739   4.4335   25.311   6.2604   36.201   6.2796  1249.14  164.021  1504.80  134.695 -255.6644 212.2392 
1 1 1   -3   14    7 o  1199.23   81.767   22.738   3.0521   21.229   3.7243   25.824   5.3259  1154.97  104.100  1268.11  136.265 -113.1421 171.4789 
1 1 1   -3   14    9 o  993.437   89.017   15.678   2.7397   14.203   3.4182   18.327   4.5813  939.641  118.834  1064.18  140.954 -124.5369 184.3625 
1 1 1   -3   14   11 o  496.940  115.054   4.0686   1.7550   4.4786   2.3985   3.5962   2.5747  521.532  142.723  478.209  152.499 43.32297 208.8678 
1 1 1   -3   14   13 o  1189.43   97.913   22.516   3.6143   25.662   5.1122   19.372   5.1105  1262.63  131.221  1089.09  154.167 173.5410 202.4509 
1 1 1   -3   14   15 o  1865.14  151.098   56.200   8.7486   0.0000   0.0000   56.200   8.7486  ?   ?   1865.14  151.098 0.000000 151.0981 
1 1 1   -3   14   17 o  2068.52  110.314   68.159   7.1193   73.533   10.565   63.690   9.6354  2129.20  159.627  1982.15  156.518 147.0490 223.5595 
1 1 1   -3   14   19 o  535.112  138.918   4.7668   2.3481   4.7668   2.3481   0.0000   0.0000  535.112  138.918  ?   ?  0.000000 138.9181 
1 1 1   -3   14   21 o  1233.98  196.984   25.722   7.3553   25.722   7.3553   0.0000   0.0000  1233.98  196.984  ?   ?  0.000000 196.9839 
1 1 1   -3   14   23 o  2196.51  178.354   80.107   12.161   80.107   12.161   0.0000   0.0000  2196.51  178.354  ?   ?  0.000000 178.3541 
1 1 1   -3   14   25 o  909.534  125.101   13.586   3.4685   12.330   6.2067   14.156   4.1826  829.427  230.625  919.682  150.445 -90.25592 275.3575 
1 1 1   -3   14   27 o  2028.70  112.505   66.446   7.1187   73.396   10.782   61.076   9.4780  2096.42  165.605  1915.83  159.442 180.5828 229.8848 
1 1 1   -3   14   29 o  782.071  109.864   10.013   2.6162   10.399   3.6592   9.6085   3.7420  782.021  154.911  747.810  164.296 34.21039 225.8110 
1 1 1   -3   14   31 o  2090.95  121.043   70.878   7.8911   69.610   12.023   71.837   10.459  2020.67  192.343  2077.37  162.073 -56.70227 251.5221 
1 1 1   -3   14   33 o  3489.84  109.109  195.875   11.923  197.283   14.724  193.192   20.322  3477.74  135.206  3367.15  193.557 110.5903 236.1042 
1 1 1   -3   14   35 o  1458.80  117.010   34.670   5.2999   34.670   5.2999   0.0000   0.0000  1458.80  117.010  ?   ?  0.000000 117.0099 
1 1 1   -3   14   37 o  2934.96  107.967  139.423   9.9222  136.738   12.303  144.418   16.783  2878.54  136.493  2890.71  186.405 -12.17383 231.0349 
1 1 1   -3   14   39 o  1229.79  126.942   25.143   4.8179   25.143   4.8179   0.0000   0.0000  1229.79  126.942  ?   ?  0.000000 126.9417 
1 1 1   -3   14   41 o  2252.92  218.180   93.804   15.199   93.804   15.199   0.0000   0.0000  2252.92  218.180  ?   ?  0.000000 218.1799 
1 1 1   -3   14   43 o  1632.61  135.171   45.443   6.8479   40.891   11.930   47.679   8.3628  1369.94  287.294  1640.68  165.021 -270.7415 331.3153 
1 1 1   -3   14   45 o  1805.32  259.907   73.071   14.269   73.071   14.269   0.0000   0.0000  1805.32  259.907  ?   ?  0.000000 259.9070 
1 1 1   -3   14   47 o  1515.89  320.643   69.974   14.744   69.974   14.744   0.0000   0.0000  1515.89  320.643  ?   ?  0.000000 320.6427 
1 1 1   -3   14   49 o  385.177  193.908 -10.3642   10.689 -10.3642   10.689   0.0000   0.0000  385.177  193.908  ?   ?  0.000000 193.9079 
1 1 1   -3   14   51 o  591.257  147.464   7.6653   2.7209   7.8538   3.2568   7.2296   4.9510  564.635  170.147  478.815  199.370 85.82086 262.1041 
1 1 1   -3   14   55 o  869.285  137.530   17.857   3.6189   19.092   4.4855   15.554   6.1252  794.508  183.932  496.657  214.748 297.8506 282.7502 
1 1 1   -3   15    2 f  1294.61   83.591   26.496   3.3705   25.387   4.0882   28.849   5.9553  1263.69  104.249  1338.88  144.334 -75.19360 178.0456 
1 1 1   -3   15    4 o  2078.83   87.859   68.089   5.7190   66.346   7.0425   71.465   9.8003  2045.44  110.366  2112.27  149.132 -66.83618 185.5288 
1 1 1   -3   15    6 o  1781.71   82.979   49.993   4.6294   48.971   5.7075   51.957   7.9149  1757.46  104.180  1801.10  141.481 -43.63953 175.6996 
1 1 1   -3   15    8 o  926.800  103.185   13.739   2.9436   12.978   3.9666   14.672   4.3917  890.732  147.370  946.802  153.380 -56.07098 212.7048 
1 1 1   -3   15   10 o  867.697  101.678   12.060   2.7102   9.5980   3.6534   15.074   4.0415  760.539  158.549  963.380  137.913 -202.8406 210.1372 
1 1 1   -3   15   12 o  346.765  112.354   1.8485   1.3933   0.2977   1.7588   4.4617   2.2832  285.560  118.860  519.765  137.981 -234.2049 182.1166 
1 1 1   -3   15   14 o  1628.65  102.068   42.143   5.1788   53.540   7.9635   33.791   6.8174  1825.31  140.408  1443.87  153.126 381.4366 207.7546 
1 1 1   -3   15   16 o  610.326  101.596   6.0528   1.8733   6.1220   2.4809   5.9611   2.8573  607.704  133.984  597.894  152.223 9.809509 202.7893 
1 1 1   -3   15   18 o  2163.41  111.916   74.616   7.5554   81.594   11.204   68.797   10.232  2241.68  160.685  2057.82  160.052 183.8662 226.7961 
1 1 1   -3   15   20 o  1360.03  116.756   29.723   4.9239   26.478   7.7033   31.964   6.4027  1250.85  203.686  1400.06  148.307 -149.2094 251.9581 
1 1 1   -3   15   22 o  1206.96  113.593   23.484   4.2425   30.007   6.9382   19.589   5.3617  1344.29  168.533  1084.68  162.897 259.6198 234.3905 
1 1 1   -3   15   24 o  819.147  125.539   11.038   3.1174   11.038   3.1174   0.0000   0.0000  819.147  125.539  ?   ?  0.000000 125.5394 
1 1 1   -3   15   26 o  691.043  233.865   8.0421   6.0204   8.0421   6.0204   0.0000   0.0000  691.043  233.865  ?   ?  0.000000 233.8654 
1 1 1   -3   15   28 o  1123.30  220.184   22.165   7.4677   22.165   7.4677   0.0000   0.0000  1123.30  220.184  ?   ?  0.000000 220.1841 
1 1 1   -3   15   30 o  1175.58  151.456   22.900   5.4454   22.900   5.4454   0.0000   0.0000  1175.58  151.456  ?   ?  0.000000 151.4556 
1 1 1   -3   15   32 o  2954.11  102.060  139.492   9.4405  151.510   11.732  117.414   15.902  3065.09  122.238  2634.89  194.101 430.2024 229.3845 
1 1 1   -3   15   34 o  1565.74   90.554   39.213   4.4206   39.059   5.6555   39.455   7.0876  1551.64  117.268  1543.58  148.473 8.061401 189.1986 
1 1 1   -3   15   36 o  612.158  128.786   6.3228   2.3904   7.2412   3.0716   4.9124   3.8065  648.750  153.584  547.589  185.955 101.1606 241.1789 
1 1 1   -3   15   38 o  3828.69  165.811  247.557   19.878  231.241   28.754  262.493   27.512  3505.33  263.905  3808.33  231.814 -302.9995 351.2595 
1 1 1   -3   15   40 o  2748.91  130.017  124.781   11.191  124.781   11.191   0.0000   0.0000  2748.91  130.017  ?   ?  0.000000 130.0169 
1 1 1   -3   15   42 o  1013.04  135.419   17.488   4.1881   17.488   4.1881   0.0000   0.0000  1013.04  135.419  ?   ?  0.000000 135.4185 
1 1 1   -3   15   44 o  1206.94  132.245   25.289   4.9160   25.289   4.9160   0.0000   0.0000  1206.94  132.245  ?   ?  0.000000 132.2453 
1 1 1   -3   15   52 o  461.771  229.735   16.684   13.050   16.684   13.050   0.0000   0.0000  461.771  229.735  ?   ?  0.000000 229.7349 
1 1 1   -3   15   54 o  ?   ?    1.5582   13.298   1.5582   13.298   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -3   16    1 o  1910.73  166.379   58.875   9.8551   58.875   9.8551   0.0000   0.0000  1910.73  166.379  ?   ?  0.000000 166.3794 
1 1 1   -3   16    3 o  2953.23  127.887  138.403   11.826  145.565   16.765  131.310   16.685  3004.52  179.010  2848.78  188.103 155.7349 259.6673 
1 1 1   -3   16    5 o  2634.27  121.077  109.989   9.9871  120.848   14.148   99.202   14.100  2742.10  165.551  2476.19  183.154 265.9038 246.8853 
1 1 1   -3   16    7 o  634.747  153.212   6.6876   3.0104   6.6876   3.0104   0.0000   0.0000  634.747  153.212  ?   ?  0.000000 153.2119 
1 1 1   -3   16    9 o  814.702   93.456   10.607   2.3410   8.5217   2.9251   14.321   3.9042  720.801  134.550  939.268  136.761 -218.4679 191.8520 
1 1 1   -3   16   11 o  1359.81   86.703   29.270   3.6725   28.385   4.5808   30.863   6.1444  1334.40  110.630  1383.58  143.934 -49.18176 181.5375 
1 1 1   -3   16   13 o  453.220  152.485   3.0985   2.5593   2.9241   5.2440   3.1530   2.9323  537.516  211.803  466.860  163.022 70.65610 267.2767 
1 1 1   -3   16   15 o  1627.40   85.944   41.912   4.3640   43.280   5.4759   39.530   7.2245  1649.15  106.614  1563.47  149.388 85.67944 183.5303 
1 1 1   -3   16   17 o  1150.33   87.188   21.024   3.1171   21.134   3.9772   20.849   5.0189  1147.94  112.079  1131.15  145.040 16.78442 183.2982 
1 1 1   -3   16   19 f  1359.62   89.047   29.379   3.7701   26.236   4.7040   35.024   6.3040  1276.89  119.022  1470.35  138.558 -193.4568 182.6594 
1 1 1   -3   16   21 o  1249.37  122.397   25.223   4.7268   22.321   7.8221   26.893   5.9324  1132.68  228.430  1280.46  150.857 -147.7773 273.7478 
1 1 1   -3   16   23 o  1078.20   93.432   18.594   3.1232   18.935   3.9485   18.024   5.1046  1081.28  118.564  1040.02  162.025 41.25793 200.7724 
1 1 1   -3   16   25 o  546.557  132.582   4.9987   2.2458   6.5099   2.9585   2.9438   3.4498  620.986  153.118  471.061  175.154 149.9254 232.6455 
1 1 1   -3   16   27 o  1807.19  115.209   52.424   6.4854   61.100   10.245   46.621   8.3778  1923.63  171.897  1684.16  160.820 239.4727 235.3970 
1 1 1   -3   16   29 o  2235.98  122.979   80.447   8.5772   80.447   8.5772   0.0000   0.0000  2235.98  122.979  ?   ?  0.000000 122.9788 
1 1 1   -3   16   31 o  2291.69  128.828   84.883   9.2070   84.883   9.2070   0.0000   0.0000  2291.69  128.828  ?   ?  0.000000 128.8276 
1 1 1   -3   16   33 o  4785.00  182.634  382.338   27.364  382.338   27.364   0.0000   0.0000  4785.00  182.634  ?   ?  0.000000 182.6340 
1 1 1   -3   16   35 o  1256.07  115.088   25.627   4.4762   25.627   4.4762   0.0000   0.0000  1256.07  115.088  ?   ?  0.000000 115.0881 
1 1 1   -3   16   37 o  1998.27   95.123   63.928   5.9519   63.191   7.5536   65.134   9.6664  1968.70  123.152  1974.23  157.685 -5.520630 200.0775 
1 1 1   -3   16   39 o  705.672  122.707   8.3338   2.6129   4.5010   3.4736   13.329   3.9656  523.461  177.638  885.609  148.244 -362.1479 231.3686 
1 1 1   -3   16   41 o  359.716  135.925   1.6925   2.0948   3.8103   2.7501  -1.2345   3.2331  477.161  158.016  326.914  147.798 150.2469 216.3635 
1 1 1   -3   16   43 o  1298.02  109.370   28.152   4.4039   24.261   6.0417   32.562   6.4326  1153.04  172.652  1356.45  154.190 -203.4073 231.4803 
1 1 1   -3   16   45 o  905.865  174.796   15.923   4.7784   15.923   4.7784   0.0000   0.0000  905.865  174.796  ?   ?  0.000000 174.7957 
1 1 1   -3   16   47 o  823.953  126.340   12.408   3.1556   14.668   3.9304   8.3094   5.2933  873.838  148.986  582.442  216.885 291.3954 263.1273 
1 1 1   -3   16   49 o  898.842  174.893   17.546   4.7452   17.546   4.7452   0.0000   0.0000  898.842  174.893  ?   ?  0.000000 174.8931 
1 1 1   -3   16   51 o  401.150  203.179  -4.8436   12.923  -4.8436   12.923   0.0000   0.0000  401.150  203.179  ?   ?  0.000000 203.1793 
1 1 1   -3   16   53 o  569.154  276.902   50.748   15.745   50.748   15.745   0.0000   0.0000  569.154  276.902  ?   ?  0.000000 276.9016 
1 1 1   -3   17    2 o  698.893  180.152   8.1384   3.9674   0.0000   0.0000   8.1384   3.9674  ?   ?   698.893  180.152 0.000000 180.1522 
1 1 1   -3   17    4 o  1602.26  109.695   40.771   5.4703   49.637   8.2334   33.764   7.3194  1758.20  151.019  1443.92  164.843 314.2811 223.5618 
1 1 1   -3   17    6 o  2011.91  169.393   65.313   10.572   65.313   10.572   0.0000   0.0000  2011.91  169.393  ?   ?  0.000000 169.3925 
1 1 1   -3   17    8 o  1758.29   91.681   48.885   5.0301   51.477   6.2864   44.271   8.3866  1800.13  112.083  1654.86  164.008 145.2720 198.6488 
1 1 1   -3   17   10 o  1479.30   91.368   34.651   4.2115   37.949   5.3206   29.118   6.8915  1544.41  110.759  1336.87  168.365 207.5376 201.5295 
1 1 1   -3   17   12 o  824.339   98.492   10.888   2.4919   8.9738   3.0925   14.432   4.2080  738.701  138.794  939.470  147.939 -200.7687 202.8535 
1 1 1   -3   17   14 o  1192.84   87.705   22.578   3.2529   19.903   4.0641   27.348   5.4264  1113.19  118.412  1302.44  135.018 -189.2465 179.5861 
1 1 1   -3   17   16 f  759.886  106.367   9.3321   2.4615   8.3556   3.1159   10.953   4.0147  709.498  145.148  810.056  163.907 -100.5578 218.9367 
1 1 1   -3   17   18 o  1107.45   90.034   19.528   3.0951   18.232   3.8537   21.884   5.1951  1063.44  117.703  1157.80  146.581 -94.36035 187.9893 
1 1 1   -3   17   20 o  673.524  118.334   7.4395   2.4046   5.8171   3.0042   10.332   4.0112  589.325  159.090  783.315  168.537 -193.9896 231.7635 
1 1 1   -3   17   22 o  272.249  116.154   0.0046   1.7475   0.6769   2.1220  -1.4123   3.0804  324.302  132.305  322.001  145.040 2.300385 196.3193 
1 1 1   -3   17   24 o  2744.27  101.781  119.579   8.7460  122.970   10.839  113.249   14.808  2773.16  124.820  2625.74  181.209 147.4233 220.0381 
1 1 1   -3   17   26 o  2752.74  134.163  121.550   11.564  106.957   16.853  134.535   15.897  2527.84  214.955  2865.24  178.076 -337.3933 279.1353 
1 1 1   -3   17   28 o  1015.26  104.694   16.555   3.2805   15.820   4.2351   17.658   5.1870  981.988  141.844  1030.31  166.455 -48.32141 218.6935 
1 1 1   -3   17   30 o  1910.88  119.759   58.666   7.1295   64.137   11.219   54.959   9.2338  1964.99  184.499  1829.62  162.880 135.3766 246.1095 
1 1 1   -3   17   32 o  1408.55  131.961   32.266   5.7523   25.816   9.7628   35.695   7.1194  1192.07  268.056  1471.15  156.974 -279.0707 310.6362 
1 1 1   -3   17   34 o  316.726  139.204  -0.5333   2.6647  -0.5333   2.6647   0.0000   0.0000  316.726  139.204  ?   ?  0.000000 139.2045 
1 1 1   -3   17   36 o  957.179  143.746   15.267   4.1752   15.267   4.1752   0.0000   0.0000  957.179  143.746  ?   ?  0.000000 143.7461 
1 1 1   -3   17   38 o  1279.04  156.775   27.519   6.1474   27.519   6.1474   0.0000   0.0000  1279.04  156.775  ?   ?  0.000000 156.7753 
1 1 1   -3   17   40 o  747.786  180.687   10.014   4.1836   10.014   4.1836   0.0000   0.0000  747.786  180.687  ?   ?  0.000000 180.6870 
1 1 1   -3   17   42 o  1469.76  162.490   38.210   7.3530   38.210   7.3530   0.0000   0.0000  1469.76  162.490  ?   ?  0.000000 162.4900 
1 1 1   -3   17   44 o  614.991  145.595   6.9386   2.7603   7.0380   3.6708   6.8092   4.1872  599.516  180.632  584.281  195.049 15.23468 265.8422 
1 1 1   -3   17   46 o  421.275  149.628   3.2000   2.4781   3.7937   3.2084   2.3219   3.9017  453.201  168.834  418.050  175.731 35.15164 243.6933 
1 1 1   -3   17   48 o  1187.27  114.880   25.315   4.2174   27.800   5.5517   21.922   6.4852  1190.01  152.498  951.179  221.820 238.8289 269.1841 
1 1 1   -3   17   50 o  429.078  153.888   3.9000   2.6273   7.0203   3.2453  -2.0353   4.4758  552.464  170.520  324.063  155.120 228.4007 230.5195 
1 1 1   -3   17   52 o  1506.80  115.540   43.709   5.4098   43.982   7.0131   43.309   8.5012  1388.68  164.480  1209.10  232.992 179.5728 285.1995 
1 1 1   -3   18    1 o  1833.88  113.439   53.398   6.4820   57.504   9.5036   49.826   8.8638  1889.99  162.158  1758.18  162.854 131.8121 229.8189 
1 1 1   -3   18    3 o  1187.08   95.013   22.364   3.5021   23.642   4.4270   20.226   5.7250  1216.50  117.689  1111.80  169.840 104.7042 206.6312 
1 1 1   -3   18    5 o  279.655  128.411  -1.8438   2.5644  -1.8438   2.5644   0.0000   0.0000  279.655  128.411  ?   ?  0.000000 128.4106 
1 1 1   -3   18    7 o  435.572  157.828   2.5361   2.7722  -2.7225   4.9550   4.9319   3.3446  400.246  181.758  555.287  173.393 -155.0415 251.1989 
1 1 1   -3   18    9 o  356.069  147.073   0.6192   2.6634  -2.9583   4.9905   2.0439   3.1494  397.520  181.247  431.133  165.758 -33.61380 245.6136 
1 1 1   -3   18   11 o  936.048  135.405   14.236   3.8534   15.419   6.5271   13.603   4.7742  951.602  222.955  904.451  174.902 47.15094 283.3717 
1 1 1   -3   18   13 o  608.250  136.199   6.1304   2.5295   4.1771   3.3659   8.6647   3.8340  521.847  174.875  718.907  172.519 -197.0594 245.6502 
1 1 1   -3   18   15 o  274.958  120.436  -0.4323   1.9796  -6.8567   2.8171   5.8355   2.7825  216.299  107.467  591.905  149.955 -375.6063 184.4878 
1 1 1   -3   18   17 o  1291.77   91.964   26.509   3.6955   26.518   4.5287   26.490   6.3933  1287.16  113.526  1271.57  164.423 15.58154 199.8074 
1 1 1   -3   18   19 o  755.366  109.202   9.2355   2.5079   8.7281   3.0399   10.317   4.4378  727.185  138.564  781.603  184.322 -54.41815 230.5961 
1 1 1   -3   18   21 o  1040.89   98.323   17.297   3.1667   15.528   3.9483   20.487   5.3018  977.838  132.352  1118.81  155.547 -140.9697 204.2351 
1 1 1   -3   18   23 o  2901.82  133.662  134.497   12.145  130.437   17.643  138.154   16.744  2816.35  201.388  2909.78  184.729 -93.42871 273.2797 
1 1 1   -3   18   25 o  1463.64   95.664   34.037   4.3602   36.874   5.5060   29.266   7.1402  1518.40  116.699  1333.38  175.262 185.0186 210.5597 
1 1 1   -3   18   27 o  1574.58  123.444   39.784   6.0375   43.880   9.8481   37.318   7.6421  1624.73  197.649  1510.62  164.207 114.1034 256.9612 
1 1 1   -3   18   29 o  1477.59  130.468   35.242   5.9744   27.460   9.9225   39.667   7.4827  1247.07  262.414  1558.84  155.370 -311.7666 304.9604 
1 1 1   -3   18   31 o  323.343  137.882   0.0695   2.4601   6.0396   3.3790  -6.6638   3.5885  599.585  171.394  264.961  129.617 334.6236 214.8868 
1 1 1   -3   18   33 o  1268.18  141.689   26.325   5.5303   18.209   9.9610   29.941   6.6492  991.390  297.298  1345.27  161.051 -353.8837 338.1176 
1 1 1   -3   18   35 o  2616.04  124.398  110.270   10.190  115.472   14.362  104.996   14.460  2635.99  175.000  2504.00  185.746 131.9973 255.1992 
1 1 1   -3   18   37 o  2312.72  120.783   86.701   8.7164   97.160   12.253   75.986   12.402  2415.46  162.957  2112.87  189.470 302.5872 249.9078 
1 1 1   -3   18   39 o  1143.29  138.712   21.889   4.8641   21.889   4.8641   0.0000   0.0000  1143.29  138.712  ?   ?  0.000000 138.7117 
1 1 1   -3   18   41 o  823.281  303.902   15.360   10.348   15.360   10.348   0.0000   0.0000  823.281  303.902  ?   ?  0.000000 303.9020 
1 1 1   -3   18   43 o  275.779  128.930  -2.0800   2.7653  -2.0800   2.7653   0.0000   0.0000  275.779  128.930  ?   ?  0.000000 128.9301 
1 1 1   -3   18   45 o  634.384  186.292   8.2111   3.9438   8.2111   3.9438   0.0000   0.0000  634.384  186.292  ?   ?  0.000000 186.2920 
1 1 1   -3   18   47 o  324.540  145.650  -0.1067   3.0744  -0.1067   3.0744   0.0000   0.0000  324.540  145.650  ?   ?  0.000000 145.6505 
1 1 1   -3   18   49 o  405.930  157.463   3.0992   2.8615   5.1579   3.6432  -0.2157   4.6230  481.899  179.836  364.268  169.089 117.6306 246.8442 
1 1 1   -3   18   51 f  531.798  213.372   8.8155   5.4160   0.0000   0.0000   8.8155   5.4160  ?   ?   531.798  213.372 0.000000 213.3717 
1 1 1   -3   19    2 o  1603.34   94.474   40.687   4.7220   44.056   5.8606   34.451   7.9726  1664.84  113.092  1453.96  178.892 210.8806 211.6416 
1 1 1   -3   19    4 o  593.437  173.145   5.7687   3.4166   5.7687   3.4166   0.0000   0.0000  593.437  173.145  ?   ?  0.000000 173.1447 
1 1 1   -3   19    6 o  939.746  106.683   14.137   3.0836   15.255   3.9699   12.436   4.8962  970.806  134.182  862.599  186.689 108.2076 229.9079 
1 1 1   -3   19    8 o  2676.15   99.743  113.124   8.3581  120.435   10.318   99.173   14.254  2755.96  119.567  2472.76  185.444 283.1956 220.6486 
1 1 1   -3   19   10 o  764.852  121.644   9.5032   2.8157   7.3993   3.7184   12.331   4.3112  666.107  175.732  863.124  165.540 -197.0165 241.4233 
1 1 1   -3   19   12 o  1857.90  114.389   54.908   6.6223   64.791   9.9498   47.048   8.8731  2004.36  159.864  1703.18  168.592 301.1794 232.3354 
1 1 1   -3   19   14 o  286.653  130.537  -1.5783   2.5786   3.5647   5.2284  -3.2313   2.9641  555.403  213.565  278.115  131.103 277.2882 250.5952 
1 1 1   -3   19   16 o  1102.61  136.359   19.646   4.6075   18.929   7.2914   20.123   5.9448  1055.68  227.302  1104.60  177.919 -48.92090 288.6542 
1 1 1   -3   19   18 o  1620.07   96.388   41.590   4.8675   44.956   6.0976   35.676   8.0815  1680.04  116.633  1478.16  178.197 201.8835 212.9730 
1 1 1   -3   19   20 o  741.638  133.494   9.0089   2.9861   9.2108   3.8106   8.6878   4.8065  743.246  167.721  720.930  203.840 22.31567 263.9718 
1 1 1   -3   19   22 o  2020.20   96.190   64.461   6.0847   63.947   7.5944   65.384   10.169  2003.35  121.641  2012.18  162.784 -8.835083 203.2125 
1 1 1   -3   19   24 f  1140.81  136.012   21.033   4.7628   24.648   8.0108   19.057   5.9234  1209.22  219.661  1071.69  183.091 137.5314 285.9602 
1 1 1   -3   19   26 o  1640.38   99.463   42.743   5.0847   44.357   6.4310   40.050   8.3049  1664.59  124.279  1565.31  172.293 99.27698 212.4386 
1 1 1   -3   19   28 o  1465.66  131.807   34.606   5.9844   40.251   10.125   31.575   7.4188  1548.15  214.646  1384.68  175.015 163.4655 276.9532 
1 1 1   -3   19   30 o  1328.00  118.288   28.339   4.8673   30.097   6.8746   26.572   6.8922  1352.79  165.760  1264.98  179.000 87.80872 243.9617 
1 1 1   -3   19   32 o  3727.81  220.702  233.752   25.647   0.0000   0.0000  233.752   25.647  ?   ?   3727.81  220.702 0.000000 220.7025 
1 1 1   -3   19   34 o  1050.16  117.580   17.866   3.8000   14.723   4.9896   22.206   5.8638  932.260  177.408  1154.25  167.103 -221.9898 243.7146 
1 1 1   -3   19   36 o  740.298  146.224   9.2309   3.2693   10.578   4.2270   7.2249   5.1577  783.531  176.523  654.449  216.384 129.0820 279.2533 
1 1 1   -3   19   38 o  2902.90  120.389  137.200   10.943  127.406   13.607  155.133   18.412  2755.42  158.376  2986.11  198.040 -230.6875 253.5798 
1 1 1   -3   19   40 o  1779.91  105.646   51.857   5.8616   50.382   7.4920   54.185   9.4117  1726.61  139.775  1757.29  173.301 -30.68298 222.6437 
1 1 1   -3   19   42 o  1837.71  106.723   56.048   6.1147   49.773   7.8128   65.967   9.8236  1686.54  149.493  1921.57  164.862 -235.0360 222.5479 
1 1 1   -3   19   44 o  703.457  165.498   9.3658   3.5845   12.563   4.6657   4.7599   5.5997  797.217  189.661  528.160  215.138 269.0566 286.8023 
1 1 1   -3   19   46 o  1129.43  189.972   25.859   6.4799   25.859   6.4799   0.0000   0.0000  1129.43  189.972  ?   ?  0.000000 189.9717 
1 1 1   -3   19   48 o  1348.42  137.936   33.963   5.7420   33.963   5.7420   0.0000   0.0000  1348.42  137.936  ?   ?  0.000000 137.9358 
1 1 1   -3   19   50 o  605.277  286.488   23.805   14.420   23.805   14.420   0.0000   0.0000  605.277  286.488  ?   ?  0.000000 286.4882 
1 1 1   -3   20    1 o  759.177  156.234   9.5149   3.5901   9.5149   3.5901   0.0000   0.0000  759.177  156.234  ?   ?  0.000000 156.2339 
1 1 1   -3   20    3 o  2319.68  120.363   85.401   8.7125   85.401   8.7125   0.0000   0.0000  2319.68  120.363  ?   ?  0.000000 120.3629 
1 1 1   -3   20    5 o  274.498  129.045  -2.9919   2.8366  -2.9919   2.8366   0.0000   0.0000  274.498  129.045  ?   ?  0.000000 129.0451 
1 1 1   -3   20    7 o  455.481  172.020   2.4529   3.3539   2.2363   5.9328   2.5546   4.0660  546.764  221.927  486.674  188.003 60.08997 290.8550 
1 1 1   -3   20    9 o  938.375  152.944   14.377   4.3391   17.357   6.9057   12.432   5.5777  1015.12  223.321  860.118  209.126 155.0059 305.9511 
1 1 1   -3   20   11 o  643.347  231.947   5.8088   5.9764   5.8088   5.9764   0.0000   0.0000  643.347  231.947  ?   ?  0.000000 231.9474 
1 1 1   -3   20   13 o  1351.94   97.080   28.966   4.0823   31.598   5.2462   24.926   6.4997  1407.98  120.144  1236.79  172.533 171.1992 210.2430 
1 1 1   -3   20   15 o  492.428  156.783   3.8010   2.7222   3.5055   3.4143   4.3165   4.5098  497.956  175.764  559.537  201.518 -61.58170 267.3993 
1 1 1   -3   20   17 o  1462.45  125.101   34.123   5.6736   40.632   8.7027   29.312   7.4823  1582.47  178.765  1339.84  183.143 242.6323 255.9266 
1 1 1   -3   20   19 o  1567.62  127.227   39.210   6.1912   40.224   9.7851   38.533   7.9950  1565.44  204.512  1543.24  168.173 22.20276 264.7781 
1 1 1   -3   20   21 o  465.924  181.476   2.2336   3.8127  -6.4263   6.9549   5.9544   4.5588  436.150  204.084  617.439  203.399 -181.2884 288.1350 
1 1 1   -3   20   23 f  1248.78  108.469   24.853   4.1993   24.841   5.3522   24.873   6.7729  1241.23  140.164  1230.46  181.214 10.77441 229.0952 
1 1 1   -3   20   25 o  873.112  209.076   12.916   5.6404   0.0000   0.0000   12.916   5.6404  ?   ?   873.112  209.076 0.000000 209.0762 
1 1 1   -3   20   27 o  629.554  179.143   6.5885   3.7002   8.8255   5.4316   4.6514   5.0543  727.227  219.864  581.399  212.737 145.8283 305.9366 
1 1 1   -3   20   29 o  1199.97  187.031   23.940   6.7984   0.0000   0.0000   23.940   6.7984  ?   ?   1199.97  187.031 0.000000 187.0307 
1 1 1   -3   20   31 o  2094.80  100.984   69.595   6.6239   72.005   8.3305   65.453   10.923  2119.67  126.081  1998.59  176.343 121.0737 216.7796 
1 1 1   -3   20   33 o  852.993  152.791   12.107   3.9311   14.832   5.4061   9.0501   5.7264  933.129  191.443  729.619  226.728 203.5095 296.7427 
1 1 1   -3   20   35 o  2187.99  137.705   77.909   9.3862   67.547   14.737   84.981   12.175  1958.32  245.738  2260.96  173.294 -302.6390 300.6959 
1 1 1   -3   20   37 o  625.476  218.259   6.5538   5.2556   0.0000   0.0000   6.5538   5.2556  ?   ?   625.476  218.259 0.000000 218.2593 
1 1 1   -3   20   39 o  1261.36  117.696   26.290   4.5949   33.503   5.9433   15.573   7.2444  1413.19  135.989  888.331  249.927 524.8615 284.5285 
1 1 1   -3   20   41 o  998.907  134.075   17.085   4.0878   17.717   5.2693   16.131   6.4782  988.118  176.794  899.714  229.282 88.40356 289.5279 
1 1 1   -3   20   43 o  1407.99  148.958   35.087   6.4675   35.087   6.4675   0.0000   0.0000  1407.99  148.958  ?   ?  0.000000 148.9580 
1 1 1   -3   20   45 o  683.337  219.137   10.202   5.3107   23.270   12.892   7.5320   5.8282  824.871  329.823  594.628  226.232 230.2427 399.9558 
1 1 1   -3   20   47 o  485.528  175.939   4.6218   3.4450   6.9947   4.2684   0.1880   5.8346  568.472  196.790  421.575  193.620 146.8969 276.0707 
1 1 1   -3   20   49 o  523.928  214.754   6.7075   5.6237   5.8066   14.011   6.8805   6.1400  522.787  255.823  525.641  220.677 -2.853333 337.8515 
1 1 1   -3   21    2 o  1751.79  119.861   48.684   6.5352   48.684   6.5352   0.0000   0.0000  1751.79  119.861  ?   ?  0.000000 119.8610 
1 1 1   -3   21    4 o  862.454  122.014   11.977   3.2031   18.208   4.1171   2.4221   5.0983  1066.15  125.747  523.350  208.006 542.7982 243.0615 
1 1 1   -3   21    6 o  1204.08  135.158   23.226   5.0078   23.226   5.0078   0.0000   0.0000  1204.08  135.158  ?   ?  0.000000 135.1584 
1 1 1   -3   21    8 o  316.682  144.760  -2.1344   3.2093  -2.1344   3.2093   0.0000   0.0000  316.682  144.760  ?   ?  0.000000 144.7605 
1 1 1   -3   21   10 o  2465.76  187.111   97.732   14.339   97.732   14.339   0.0000   0.0000  2465.76  187.111  ?   ?  0.000000 187.1111 
1 1 1   -3   21   12 f  312.536  137.075  -0.6167   2.5718  -1.7700   3.2475   1.3234   4.2120  326.984  147.951  457.053  186.427 -130.0688 238.0005 
1 1 1   -3   21   14 o  1566.46  123.704   39.020   6.0183   39.020   6.0183   0.0000   0.0000  1566.46  123.704  ?   ?  0.000000 123.7044 
1 1 1   -3   21   16 o  1125.51  111.338   20.183   3.8724   19.221   4.8484   21.878   6.4353  1091.30  145.511  1156.14  183.922 -64.84680 234.5223 
1 1 1   -3   21   18 o  779.682  142.725   9.9419   3.3561   10.988   4.2793   8.2701   5.4091  814.616  173.105  713.919  220.111 100.6970 280.0253 
1 1 1   -3   21   20 o  1516.51  103.200   36.453   4.8714   33.611   6.1458   41.258   7.9898  1448.97  137.086  1600.30  161.663 -151.3304 211.9613 
1 1 1   -3   21   22 o  828.908  215.912   11.563   5.6598   0.0000   0.0000   11.563   5.6598  ?   ?   828.908  215.912 0.000000 215.9119 
1 1 1   -3   21   24 f  1808.36  172.614   52.945   9.6554   0.0000   0.0000   52.945   9.6554  ?   ?   1808.36  172.614 0.000000 172.6139 
1 1 1   -3   21   26 o  1629.54  136.938   42.575   6.9225   37.458   11.206   45.733   8.8028  1487.85  249.366  1679.03  169.767 -191.1764 301.6685 
1 1 1   -3   21   28 o  2275.01  133.232   82.734   9.4495   75.412   14.226   88.515   12.641  2136.34  215.617  2336.78  174.010 -200.4412 277.0740 
1 1 1   -3   21   30 o  2124.97  127.459   72.241   8.4417   93.157   13.174   57.670   10.996  2391.21  177.208  1872.79  190.147 518.4175 259.9200 
1 1 1   -3   21   32 o  1626.19  109.893   42.271   5.5629   39.311   7.0718   47.075   9.0098  1555.39  146.944  1692.11  172.458 -136.7242 226.5707 
1 1 1   -3   21   34 o  1382.68  192.664   32.406   8.1147   0.0000   0.0000   32.406   8.1147  ?   ?   1382.68  192.664 0.000000 192.6636 
1 1 1   -3   21   36 o  728.429  209.632   9.4603   5.0392   12.930   10.396   8.3947   5.7613  836.171  305.231  692.239  228.687 143.9323 381.3967 
1 1 1   -3   21   38 o  911.111  202.414   15.089   5.6246   10.572   10.990   16.693   6.5470  765.953  305.093  945.258  224.527 -179.3055 378.8066 
1 1 1   -3   21   40 o  543.903  182.670   5.1614   3.6728   4.2084   4.7049   6.6481   5.8765  526.707  202.576  615.278  228.638 -88.57178 305.4708 
1 1 1   -3   21   42 o  490.757  197.324   3.3277   4.6428   3.3277   4.6428   0.0000   0.0000  490.757  197.324  ?   ?  0.000000 197.3245 
1 1 1   -3   21   44 o  390.834  165.456   1.2315   3.4983  -0.1334   4.3265   3.8093   5.9457  389.341  173.894  516.958  217.100 -127.6161 278.1573 
1 1 1   -3   21   46 f  824.879  168.050   13.080   4.1932   6.0677   5.2963   24.857   6.8641  548.697  213.840  1095.06  207.786 -546.3615 298.1657 
1 1 1   -3   21   48 o  606.694  233.119   9.3745   6.2269   0.0000   14.767   11.402   6.8673  521.710  256.769  647.939  245.799 -126.2288 355.4541 
1 1 1   -3   22    1 o  967.622  125.184   15.012   3.7040   18.830   4.5427   7.4374   6.3979  1083.35  136.974  705.518  241.074 377.8333 277.2697 
1 1 1   -3   22    3 o  955.470  123.190   14.633   3.5998   13.868   4.5045   15.984   5.9882  922.185  161.903  983.537  201.223 -61.35175 258.2701 
1 1 1   -3   22    5 o  653.336  188.217   6.9541   4.0603   7.5629   6.4763   6.5597   5.2118  710.628  242.547  655.133  217.560 55.49548 325.8242 
1 1 1   -3   22    7 o  1372.82  103.180   29.829   4.4029   33.252   5.4736   23.555   7.4109  1446.93  121.949  1198.23  204.884 248.7015 238.4301 
1 1 1   -3   22    9 o  783.018  184.751   10.150   4.4566   8.1509   7.1812   11.403   5.6835  740.186  255.308  828.404  216.646 -88.21820 334.8401 
1 1 1   -3   22   11 o  488.376  184.656   2.7726   3.8676   2.7726   3.8676   0.0000   0.0000  488.376  184.656  ?   ?  0.000000 184.6565 
1 1 1   -3   22   13 o  998.379  160.419   16.206   4.8451   16.206   4.8451   0.0000   0.0000  998.379  160.419  ?   ?  0.000000 160.4185 
1 1 1   -3   22   15 o  1395.85  133.867   31.095   5.7792   31.095   5.7792   0.0000   0.0000  1395.85  133.867  ?   ?  0.000000 133.8665 
1 1 1   -3   22   17 o  271.793  129.742  -4.1086   3.0856   0.6145   3.9514 -11.4889   4.9394  425.339  177.691  290.995  144.184 134.3438 228.8304 
1 1 1   -3   22   19 o  577.920  215.094   4.2258   5.2050   4.2258   5.2050   0.0000   0.0000  577.920  215.094  ?   ?  0.000000 215.0939 
1 1 1   -3   22   21 o  723.101  164.672   8.6629   3.6451   7.6087   4.8561   10.023   5.5166  684.176  208.123  776.171  218.000 -91.99542 301.3955 
1 1 1   -3   22   23 o  565.238  177.347   5.0811   3.4942  -0.3448   4.4882   13.430   5.5673  426.439  184.107  895.639  203.182 -469.1997 274.1867 
1 1 1   -3   22   25 o  782.929  170.118   10.180   4.0513   6.7076   5.3024   15.050   6.2795  657.300  219.492  945.169  216.790 -287.8683 308.5038 
1 1 1   -3   22   27 o  1304.08  156.950   27.569   6.2802   17.635   10.105   33.820   8.0163  1010.13  298.648  1438.40  182.058 -428.2655 349.7656 
1 1 1   -3   22   29 o  1717.72  141.926   47.465   7.5653   41.577   11.868   51.496   9.8189  1563.30  250.932  1776.06  178.999 -212.7594 308.2326 
1 1 1   -3   22   31 o  1096.28  186.469   20.145   6.1718   11.552   10.807   24.304   7.5184  851.908  311.170  1197.81  208.004 -345.8978 374.2893 
1 1 1   -3   22   33 o  790.848  218.514   10.947   5.5908   14.419   10.422   9.5441   6.6248  896.480  307.660  746.769  245.155 149.7104 393.3901 
1 1 1   -3   22   35 o  736.604  240.187   9.6025   6.3630   0.0000   0.0000   9.6025   6.3630  ?   ?   736.604  240.187 0.000000 240.1869 
1 1 1   -3   22   37 o  392.852  170.301   0.0362   3.8720  -2.3043   5.1128   3.1836   5.9291  401.167  183.121  542.102  221.158 -140.9352 287.1311 
1 1 1   -3   22   39 o  1108.54  140.010   20.785   4.7515   19.325   6.0559   23.124   7.6638  1034.70  194.046  1107.03  228.658 -72.32104 299.8971 
1 1 1   -3   22   41 o  515.827  206.749   3.6459   5.0792   3.6459   5.0792   0.0000   0.0000  515.827  206.749  ?   ?  0.000000 206.7486 
1 1 1   -3   22   43 o  892.083  166.872   14.501   4.4899   13.299   5.6133   16.637   7.4812  814.208  216.448  872.563  256.678 -58.35455 335.7578 
1 1 1   -3   22   45 o  479.306  188.879   3.7014   4.1705   6.0026   5.1890  -0.4973   7.0091  559.195  213.296  460.950  211.893 98.24539 300.6553 
1 1 1   -3   23    2 o  1363.45  108.330   29.435   4.5868   34.154   5.7043   20.801   7.7154  1466.73  125.410  1120.87  227.600 345.8633 259.8640 
1 1 1   -3   23    4 o  1113.84  115.036   19.741   3.9543   21.676   4.8636   15.968   6.7920  1164.20  135.980  980.069  225.946 184.1270 263.7089 
1 1 1   -3   23    6 o  508.282  169.307   3.8787   3.1554   4.7754   4.0280   2.4544   5.0768  566.604  191.294  525.215  207.940 41.38989 282.5461 
1 1 1   -3   23    8 o  899.615  169.348   13.244   4.5953   10.371   7.0666   15.348   6.0490  804.482  252.173  962.999  206.782 -158.5169 326.1139 
1 1 1   -3   23   10 o  556.464  171.072   4.9173   3.2700   4.6002   4.0807   5.4863   5.4663  561.004  192.517  626.096  222.244 -65.09161 294.0325 
1 1 1   -3   23   12 o  1215.97  135.627   23.640   5.0760   19.880   6.8034   28.361   7.6235  1098.69  205.307  1321.55  189.663 -222.8533 279.5050 
1 1 1   -3   23   14 o  556.087  188.245   4.5986   3.9007   11.463   5.0905  -5.1653   6.0711  831.048  198.371  417.154  193.684 413.8939 277.2445 
1 1 1   -3   23   16 o  2433.08  179.299   94.774   13.564   94.774   13.564   0.0000   0.0000  2433.08  179.299  ?   ?  0.000000 179.2992 
1 1 1   -3   23   18 o  1109.91  158.465   19.938   5.3509   19.938   5.3509   0.0000   0.0000  1109.91  158.465  ?   ?  0.000000 158.4654 
1 1 1   -3   23   20 o  504.108  198.085   2.4381   4.5747   2.4381   4.5747   0.0000   0.0000  504.108  198.085  ?   ?  0.000000 198.0854 
1 1 1   -3   23   22 o  1097.49  268.086   20.466   9.1338   20.466   9.1338   0.0000   0.0000  1097.49  268.086  ?   ?  0.000000 268.0861 
1 1 1   -3   23   24 o  852.073  205.788   12.158   5.4287   12.158   5.4287   0.0000   0.0000  852.073  205.788  ?   ?  0.000000 205.7878 
1 1 1   -3   23   26 o  393.981  168.221   0.0206   3.6704   3.3426   4.8779  -4.3147   5.5725  539.267  206.538  404.154  186.908 135.1139 278.5549 
1 1 1   -3   23   28 o  643.133  224.271   6.2291   5.5486   1.5611   10.277   8.1499   6.5921  663.987  282.443  719.690  244.711 -55.70233 373.7079 
1 1 1   -3   23   30 o  1304.96  132.325   27.521   5.3322   28.390   7.0065   26.326   8.2198  1310.80  175.080  1243.65  219.082 67.14795 280.4464 
1 1 1   -3   23   32 o  439.619  182.670   1.0843   4.1440  -1.9604   5.7424   4.3932   5.9862  443.109  198.947  590.303  228.093 -147.1945 302.6654 
1 1 1   -3   23   34 o  862.912  222.483   13.297   6.0500   3.7534   11.211   17.218   7.1861  690.285  294.352  976.418  237.353 -286.1329 378.1259 
1 1 1   -3   23   36 o  606.326  227.775   5.5617   5.8635   24.835   11.554  -1.1236   6.8048  1104.54  317.297  488.563  218.156 615.9730 385.0577 
1 1 1   -3   23   38 o  1079.79  208.133   21.093   6.7820   24.197   12.429   19.776   8.0929  1047.87  335.159  1010.85  255.545 37.01733 421.4672 
1 1 1   -3   23   40 o  573.779  264.022  -1.6088   10.919  -1.6088   10.919   0.0000   0.0000  573.779  264.022  ?   ?  0.000000 264.0221 
1 1 1   -3   23   42 o  458.564  192.531   1.9079   4.6742   0.8568   6.2787   3.2147   7.0009  484.072  213.194  545.857  232.679 -61.78482 315.5810 
1 1 1   -3   23   44 o  409.538  177.758   0.7890   4.2291   0.6856   5.2966   0.9707   7.0242  442.495  195.299  493.570  220.928 -51.07495 294.8739 
1 1 1   -3   24    1 o  1158.66  147.973   21.535   5.2459   21.535   5.2459   0.0000   0.0000  1158.66  147.973  ?   ?  0.000000 147.9734 
1 1 1   -3   24    3 o  717.303  170.058   8.4716   3.7615   6.0119   4.5512   13.773   6.6815  624.621  203.108  910.948  233.236 -286.3264 309.2764 
1 1 1   -3   24    5 o  1181.41  121.602   22.210   4.4341   25.674   5.4402   15.355   7.6534  1268.17  139.296  960.686  251.481 307.4797 287.4817 
1 1 1   -3   24    7 o  575.869  222.301   3.5175   5.6818   0.0000   0.0000   3.5175   5.6818  ?   ?   575.869  222.301 0.000000 222.3012 
1 1 1   -3   24    9 o  392.757  167.512  -0.0343   3.6322  -4.9006   5.0980   4.9829   5.1764  374.953  175.216  603.586  216.055 -228.6339 278.1733 
1 1 1   -3   24   11 o  481.752  181.917   2.6878   3.7506   4.3119   5.2620   1.0106   5.3473  585.071  216.563  499.265  207.482 85.80557 299.9144 
1 1 1   -3   24   13 o  1354.79  114.112   29.105   4.7958   30.592   5.8851   26.167   8.2743  1385.34  137.484  1262.79  217.084 122.5499 256.9579 
1 1 1   -3   24   15 o  325.997  148.722  -2.1799   3.3662  -0.9719   4.1803  -4.4079   5.6773  398.591  174.790  410.363  189.385 -11.77200 257.7170 
1 1 1   -3   24   17 o  233.936  116.209  -8.0597   3.2883  -6.4464   3.9134 -11.9348   6.0650  289.310  140.114  340.625  167.024 -51.31519 218.0111 
1 1 1   -3   24   19 o  358.395  157.705  -0.9095   3.4289   1.7102   4.1319  -6.7041   6.1452  465.416  186.499  399.893  188.588 65.52338 265.2307 
1 1 1   -3   24   21 o  526.327  204.970   2.8262   4.8632   2.8262   4.8632   0.0000   0.0000  526.327  204.970  ?   ?  0.000000 204.9702 
1 1 1   -3   24   23 o  1012.95  287.143   17.429   9.5252   17.429   9.5252   0.0000   0.0000  1012.95  287.143  ?   ?  0.000000 287.1429 
1 1 1   -3   24   25 o  783.068  218.228   10.268   5.5507   10.268   5.5507   0.0000   0.0000  783.068  218.228  ?   ?  0.000000 218.2276 
1 1 1   -3   24   27 o  914.516  224.415   14.270   6.3782   14.270   6.3782   0.0000   0.0000  914.516  224.415  ?   ?  0.000000 224.4151 
1 1 1   -3   24   29 o  780.681  293.703   8.8111   9.7558   8.8111   9.7558   0.0000   0.0000  780.681  293.703  ?   ?  0.000000 293.7028 
1 1 1   -3   24   31 o  1094.37  155.511   19.785   5.1791   26.030   6.7880   11.086   8.0118  1248.43  178.745  805.646  269.799 442.7872 323.6372 
1 1 1   -3   24   33 o  698.308  206.154   8.4262   4.8183   10.592   6.6228   5.9910   7.0230  776.304  244.255  651.332  248.213 124.9716 348.2385 
1 1 1   -3   24   35 o  634.575  211.054   6.7931   4.9041   6.1694   6.6969   7.5142   7.2014  642.722  242.992  685.566  253.430 -42.84332 351.1010 
1 1 1   -3   24   37 o  513.670  214.905   2.0322   5.7916  -5.3769   10.961   4.9022   6.8217  554.721  258.448  606.294  240.724 -51.57349 353.1899 
1 1 1   -3   24   39 o  847.419  322.161   14.748   11.813   14.748   11.813   0.0000   0.0000  847.419  322.161  ?   ?  0.000000 322.1613 
1 1 1   -3   24   41 o  484.756  212.418   0.7007   6.1638   0.0000   12.662   0.9183   7.0564  620.289  285.010  514.085  226.224 106.2044 363.8795 
1 1 1   -3   24   43 f  415.800  194.074  -3.2471   6.2251  -0.7046   13.084  -3.9910   7.0773  598.518  280.017  434.149  204.014 164.3692 346.4554 
1 1 1   -3   25    2 o  855.816  209.597   12.100   5.5721   13.526   7.7220   10.552   8.0482  907.387  259.000  824.887  270.184 82.50012 374.2731 
1 1 1   -3   25    4 o  558.552  200.225   4.2114   4.4472   5.6750   5.6383   1.8019   7.2347  638.018  225.794  589.089  242.765 48.92889 331.5386 
1 1 1   -3   25    6 o  487.863  218.946  -3.1123   6.9469   0.0000   0.0000  -3.1123   6.9469  ?   ?   487.863  218.946 0.000000 218.9459 
1 1 1   -3   25    8 o  606.563  184.927   5.8544   3.8308   5.5889   4.6143   6.4434   6.8720  610.969  204.751  689.715  248.711 -78.74573 322.1494 
1 1 1   -3   25   10 o  596.185  186.152   5.5955   3.8550   5.8091   4.7523   5.1844   6.5922  621.636  207.792  648.537  241.929 -26.90039 318.9158 
1 1 1   -3   25   12 o  572.085  186.169   5.0201   3.8235   4.0155   4.6018   7.2597   6.8708  556.287  203.075  711.833  249.490 -155.5456 321.6903 
1 1 1   -3   25   14 o  264.212  129.196  -6.7870   3.5540  -9.1345   4.2842  -1.6060   6.3646  279.866  137.850  488.254  214.853 -208.3883 255.2731 
1 1 1   -3   25   16 o  661.143  191.153   7.1048   4.1812   8.5221   5.1064   4.2213   7.2836  723.762  211.822  642.704  250.690 81.05792 328.1978 
1 1 1   -3   25   18 o  1020.81  138.742   16.762   4.3199   15.736   5.1233   19.286   8.0352  981.470  173.030  1073.83  244.456 -92.35760 299.4967 
1 1 1   -3   25   20 o  344.040  155.880  -2.0239   3.6191  -3.2301   4.3501   0.6880   6.5226  362.031  166.609  536.986  226.547 -174.9553 281.2156 
1 1 1   -3   25   22 o  690.684  199.879   7.8405   4.5698   8.0266   5.6969   7.5047   7.6529  709.396  226.909  728.037  262.473 -18.64136 346.9579 
1 1 1   -3   25   24 o  504.593  213.061   0.6691   5.7770  -7.6243   9.6832   5.2523   7.1984  525.513  244.198  657.725  251.139 -132.2115 350.2905 
1 1 1   -3   25   26 o  452.168  198.007  -0.8926   5.3480  -0.8926   5.3480   0.0000   0.0000  452.168  198.007  ?   ?  0.000000 198.0067 
1 1 1   -3   25   28 o  765.166  239.600   9.8277   6.3813   9.8277   6.3813   0.0000   0.0000  765.166  239.600  ?   ?  0.000000 239.6000 
1 1 1   -3   25   30 o  810.203  313.714   9.3031   11.342   9.3031   11.342   0.0000   0.0000  810.203  313.714  ?   ?  0.000000 313.7136 
1 1 1   -3   25   32 o  712.947  250.412   8.2297   6.9234   8.2297   6.9234   0.0000   0.0000  712.947  250.412  ?   ?  0.000000 250.4121 
1 1 1   -3   25   34 o  930.468  193.788   14.992   5.4627   13.499   7.1950   17.024   8.3934  863.451  251.074  960.142  268.628 -96.69110 367.6937 
1 1 1   -3   25   36 o  711.415  266.599   8.1792   8.0230   0.0000   0.0000   8.1792   8.0230  ?   ?   711.415  266.599 0.000000 266.5991 
1 1 1   -3   25   38 o  635.075  287.612  -0.6672   12.304  -0.6672   12.304   0.0000   0.0000  635.075  287.612  ?   ?  0.000000 287.6115 
1 1 1   -3   25   40 o  834.159  335.101   14.165   13.376   14.165   13.376   0.0000   0.0000  834.159  335.101  ?   ?  0.000000 335.1006 
1 1 1   -3   26    1 o  822.602  280.299   10.086   8.6490   0.0000   0.0000   10.086   8.6490  ?   ?   822.602  280.299 0.000000 280.2989 
1 1 1   -3   26    3 o  679.967  226.967   6.9627   5.6697   8.0012   7.7739   5.7825   8.2870  752.233  265.246  709.454  269.803 42.77942 378.3506 
1 1 1   -3   26    5 o  590.445  218.717   4.3340   5.3693   2.0046   7.2701   7.1291   7.9638  595.146  244.085  733.828  267.260 -138.6821 361.9474 
1 1 1   -3   26    7 o  796.006  181.255   10.422   4.4166   10.206   5.3029   10.911   7.9796  788.024  210.794  834.458  268.721 -46.43414 341.5340 
1 1 1   -3   26    9 o  841.284  218.224   11.681   5.7975   24.249   8.1446  -1.2279   8.2542  1216.06  222.077  569.343  247.730 646.7162 332.6992 
1 1 1   -3   26   11 o  1291.69  129.625   26.542   5.1721   29.894   6.3621   20.009   8.8819  1367.97  151.047  1095.44  262.395 272.5269 302.7644 
1 1 1   -3   26   13 o  617.396  193.659   6.0006   4.1668   5.4544   5.1286   7.0614   7.1472  617.885  215.606  712.117  253.981 -94.23236 333.1555 
1 1 1   -3   26   15 o  1114.85  151.286   20.003   5.1448   19.602   6.2754   20.826   8.9849  1095.27  189.861  1115.17  261.793 -19.89978 323.3922 
1 1 1   -3   26   17 o  477.643  183.713   2.4457   3.8696   3.9964   4.5959  -1.3304   7.1719  554.206  202.850  524.627  229.530 29.57977 306.3197 
1 1 1   -3   26   19 o  638.007  191.954   6.5782   4.1475   4.5196   4.9460   11.456   7.6129  580.403  210.737  838.934  261.539 -258.5302 335.8763 
1 1 1   -3   26   21 o  563.085  197.723   4.5497   4.3163   1.4752   5.2492   10.969   7.5848  503.769  207.099  821.837  261.710 -318.0680 333.7398 
1 1 1   -3   26   23 o  829.320  197.847   11.534   5.0659   11.079   6.3151   12.355   8.4846  813.234  234.860  865.510  276.923 -52.27600 363.1053 
1 1 1   -3   26   25 o  548.452  223.967   2.1743   6.0880   7.2015   9.6945  -1.0992   7.8230  755.209  290.700  545.958  239.269 209.2505 376.5056 
1 1 1   -3   26   27 o  503.219  203.631   2.0329   4.9786   7.1419   6.1727  -7.4767   8.4215  681.273  236.605  478.185  224.014 203.0873 325.8289 
1 1 1   -3   26   29 o  825.669  242.740   11.741   6.6925   4.1445   11.024   16.175   8.4223  717.055  297.941  957.748  269.489 -240.6930 401.7378 
1 1 1   -3   26   31 o  755.612  250.371   9.5763   6.9038   28.778   11.684  -0.7250   8.5576  1253.07  301.444  567.334  249.404 685.7336 391.2427 
1 1 1   -3   26   33 o  756.322  263.954   9.5281   7.6867   9.5281   7.6867   0.0000   0.0000  756.322  263.954  ?   ?  0.000000 263.9542 
1 1 1   -3   26   35 o  454.383  211.270  -5.0228   7.2652  -5.0228   7.2652   0.0000   0.0000  454.383  211.270  ?   ?  0.000000 211.2704 
1 1 1   -3   27    2 o  699.049  236.789   7.2606   6.1720   4.6812   8.2306   10.574   9.3292  682.908  266.457  845.723  291.038 -162.8156 394.5910 
1 1 1   -3   27    4 o  461.375  191.553   0.8300   4.5515   2.1072   5.3253  -2.6320   8.7676  526.776  211.499  566.181  250.509 -39.40540 327.8517 
1 1 1   -3   27    6 o  521.272  217.762   0.8862   5.9342   1.4951   8.2490   0.2330   8.5432  617.628  257.271  604.492  257.339 13.13568 363.8840 
1 1 1   -3   27    8 o  665.741  230.106   6.4286   5.8349   1.7551   8.1439   11.358   8.3640  618.738  256.503  850.806  275.236 -232.0680 376.2297 
1 1 1   -3   27   10 o  782.001  208.553   10.075   5.2005   12.190   9.1969   9.0806   6.3053  882.367  288.812  756.933  238.357 125.4332 374.4684 
1 1 1   -3   27   12 o  948.456  161.099   14.622   4.6133   14.551   5.8266   14.741   7.5523  938.240  204.134  941.346  251.455 -3.106384 323.8831 
1 1 1   -3   27   14 o  596.749  202.117   5.3003   4.4968   6.9348   5.7669   2.7648   7.1825  678.410  228.892  605.929  244.798 72.48053 335.1382 
1 1 1   -3   27   16 o  444.395  180.519   1.3053   3.9289  -3.1087   4.5910   13.383   7.5942  377.165  172.679  897.525  257.071 -520.3604 309.6833 
1 1 1   -3   27   18 o  589.693  194.729   5.3348   4.1775   0.3831   4.9083   18.349   7.9573  463.995  196.180  1043.69  247.280 -579.6985 315.6487 
1 1 1   -3   27   20 o  716.792  195.558   8.5207   4.5111   9.3641   5.3042   6.3157   8.5763  751.965  214.663  719.355  274.255 32.60944 348.2756 
1 1 1   -3   27   22 o  940.795  189.588   14.715   5.3920   13.073   6.6182   17.958   9.2990  879.813  235.552  1023.30  281.430 -143.4874 366.9980 
1 1 1   -3   27   24 o  1166.15  164.638   22.188   5.8445   25.890   7.3077   15.616   9.7361  1252.87  192.428  957.584  295.318 295.2897 352.4788 
1 1 1   -3   27   26 o  630.055  244.293   4.5969   6.8850   10.493   11.381   1.1934   8.6466  850.997  317.798  611.212  259.511 239.7849 410.2948 
1 1 1   -3   27   28 o  1073.13  184.801   19.191   5.9857   21.657   7.4394   14.664   10.080  1129.54  218.239  924.847  302.337 204.6902 372.8752 
1 1 1   -3   27   30 o  877.528  258.253   13.418   7.5718   4.3595   12.572   18.574   9.4851  753.093  315.949  1019.55  285.675 -266.4544 425.9501 
1 1 1   -3   27   32 o  947.115  248.377   15.875   7.4569   37.030   11.893   2.1711   9.5722  1442.77  273.258  642.837  272.999 799.9286 386.2622 
1 1 1   -3   27   34 o  646.589  241.238   6.0796   6.5550  -1.7581   9.4927   13.223   9.0625  575.566  257.287  861.871  286.917 -286.3052 385.3803 
1 1 1   -3   27   36 o  616.050  242.212   4.8516   6.8436   10.958   10.406   0.1976   9.0846  807.524  303.425  586.109  257.330 221.4151 397.8507 
1 1 1   -3   28    1 o  1157.71  271.629   22.380   9.6771   22.380   9.6771   0.0000   0.0000  1157.71  271.629  ?   ?  0.000000 271.6289 
1 1 1   -3   28    3 o  1310.50  139.080   27.378   5.6199   22.937   6.6675   38.274   10.444  1189.37  185.046  1534.19  224.013 -344.8243 290.5576 
1 1 1   -3   28    5 o  855.987  191.810   12.081   5.0137   11.314   5.7760   14.427   10.098  827.886  219.316  949.416  301.925 -121.5299 373.1730 
1 1 1   -3   28    7 o  687.001  208.882   7.5602   4.8924   13.387   5.6973  -8.8030   9.5477  899.631  206.604  514.526  240.220 385.1054 316.8449 
1 1 1   -3   28    9 o  722.475  216.258   8.4309   5.2742   11.203   9.3304   7.1292   6.3938  858.067  291.136  697.687  240.890 160.3799 377.8731 
1 1 1   -3   28   11 o  963.548  156.539   15.060   4.5609   15.613   6.2581   14.433   6.6608  970.791  211.827  931.159  229.838 39.63275 312.5639 
1 1 1   -3   28   13 o  778.540  220.277   9.9734   5.6110   11.589   9.7797   9.1808   6.8507  871.553  298.053  765.347  249.206 106.2059 388.5088 
1 1 1   -3   28   15 o  1026.58  206.354   17.440   6.4031   12.948   10.788   19.884   7.9562  915.339  313.038  1090.44  239.562 -175.1042 394.1861 
1 1 1   -3   28   17 o  1133.14  144.687   20.663   5.0165   19.688   6.1883   22.533   8.5674  1095.92  187.045  1159.70  243.677 -63.77197 307.1878 
1 1 1   -3   28   19 o  670.071  202.195   7.2855   4.5969   6.5053   5.4512   9.2066   8.5533  655.771  222.531  788.907  278.219 -133.1362 356.2669 
1 1 1   -3   28   21 o  1067.41  168.778   18.613   5.4535   17.729   6.6563   20.420   9.5116  1029.94  213.410  1092.16  277.554 -62.21960 350.1140 
1 1 1   -3   28   23 o  809.397  208.506   11.002   5.3169   8.8319   6.6173   14.954   8.9310  744.983  245.039  939.758  281.438 -194.7752 373.1645 
1 1 1   -3   28   25 o  554.619  218.609   3.0783   5.5880   4.0073   7.0671   1.5287   9.1277  622.934  245.747  633.873  267.741 -10.93909 363.4237 
1 1 1   -3   28   27 o  446.311  197.679  -1.4731   5.4734  -0.6010   6.8292  -3.0395   9.1526  517.585  225.272  561.263  251.639 -43.67761 337.7416 
1 1 1   -3   28   29 o  903.038  308.970   13.635   10.509   0.0000   0.0000   13.635   10.509  ?   ?   903.038  308.970 0.000000 308.9704 
1 1 1   -3   28   31 o  737.643  285.923   7.1284   9.4293   0.0000   0.0000   7.1284   9.4293  ?   ?   737.643  285.923 0.000000 285.9231 
1 1 1   -3   28   33 o  531.409  230.866  -0.0672   7.1466  -4.1605   10.509   3.4549   9.7479  578.931  263.591  668.504  279.169 -89.57269 383.9472 
1 1 1   -3   29    2 o  701.038  240.741   7.2329   6.3817   7.2329   6.3817   0.0000   0.0000  701.038  240.741  ?   ?  0.000000 240.7412 
1 1 1   -3   29    4 o  581.355  256.943  -2.5545   9.1992  -2.5545   9.1992   0.0000   0.0000  581.355  256.943  ?   ?  0.000000 256.9430 
1 1 1   -3   29    6 o  534.602  217.163   1.9102   5.6859   1.9102   5.6859   0.0000   0.0000  534.602  217.163  ?   ?  0.000000 217.1635 
1 1 1   -3   29    8 o  400.987  175.648  -0.9499   4.2112  -3.8240   5.9669   1.9023   5.9442  433.233  197.784  543.960  221.625 -110.7275 297.0457 
1 1 1   -3   29   10 o  904.680  176.285   13.421   4.8143   18.144   6.4437   7.4547   7.2430  1049.90  203.352  723.795  255.940 326.1084 326.8905 
1 1 1   -3   29   12 o  621.740  201.469   5.9927   4.4801   0.1223   6.3661   11.753   6.3059  520.663  221.909  842.577  231.764 -321.9146 320.8708 
1 1 1   -3   29   14 o  260.435  127.829  -7.2237   3.5803  -1.5413   4.6329 -15.6494   5.6415  409.330  181.556  292.260  146.268 117.0696 233.1455 
1 1 1   -3   29   16 o  607.839  195.275   5.7733   4.2157   9.6995   5.5693   0.5052   6.4512  767.710  220.222  530.802  224.695 236.9080 314.6198 
1 1 1   -3   29   18 o  784.881  229.385   10.145   5.9922  -0.2769   10.518   15.154   7.2912  653.592  282.005  949.628  243.920 -296.0353 372.8585 
1 1 1   -3   29   20 o  638.557  236.054   5.3304   6.2478  -7.7015   11.319   11.041   7.4928  582.100  268.205  824.179  259.869 -242.0790 373.4517 
1 1 1   -3   29   22 o  772.840  244.023   9.6863   6.6051   17.637   11.816   6.0723   7.9660  1024.77  326.678  698.667  264.807 326.1013 420.5253 
1 1 1   -3   29   24 o  661.638  238.267   6.1919   6.3045   4.7740   9.7016   7.2283   8.2946  711.571  285.549  731.542  271.676 -19.97162 394.1392 
1 1 1   -3   29   26 o  590.563  254.658   0.0011   8.5664   0.0000   0.0000   0.0011   8.5664  ?   ?   590.563  254.658 0.000000 254.6583 
1 1 1   -3   29   28 o  613.937  239.374   4.2183   6.6389  -4.0674   9.7286   11.440   9.0823  566.500  256.223  841.275  287.230 -274.7749 384.9042 
1 1 1   -3   29   30 o  699.949  264.534   6.5937   7.9351   23.669   13.191  -3.0893   9.9333  1139.87  342.186  582.825  261.670 557.0475 430.7691 
1 1 1   -3   30    1 o  619.258  281.001  -6.3444   11.815   0.0000   0.0000  -6.3444   11.815  ?   ?   619.258  281.001 0.000000 281.0012 
1 1 1   -3   30    3 o  587.992  244.045   1.5203   7.3845   4.1374   9.6512  -2.1753   11.469  709.487  284.773  660.779  289.647 48.70807 406.1912 
1 1 1   -3   30    5 o  974.607  205.796   15.669   6.0833   13.752   7.0884   21.027   11.851  910.905  243.733  1121.78  321.086 -210.8789 403.1158 
1 1 1   -3   30    7 f  775.025  242.735   9.5656   6.5490   9.5656   6.5490   0.0000   0.0000  775.025  242.735  ?   ?  0.000000 242.7349 
1 1 1   -3   30    9 o  601.067  234.450   3.6336   6.3705   3.6336   6.3705   0.0000   0.0000  601.067  234.450  ?   ?  0.000000 234.4496 
1 1 1   -3   30   11 o  672.264  245.764   5.9674   6.7433   5.9674   6.7433   0.0000   0.0000  672.264  245.764  ?   ?  0.000000 245.7639 
1 1 1   -3   30   13 o  791.308  199.424   10.367   4.9395   15.601   6.8057   4.5405   7.1803  967.836  228.274  646.933  249.856 320.9030 338.4331 
1 1 1   -3   30   15 o  488.491  192.094   2.2337   4.3052  -2.3561   5.5871   8.9424   6.7547  439.729  196.917  756.631  247.507 -316.9025 316.2843 
1 1 1   -3   30   17 o  679.682  201.166   7.5050   4.5829   10.531   6.0120   3.3077   7.0808  799.100  228.683  613.725  244.754 185.3752 334.9630 
1 1 1   -3   30   19 o  871.302  187.577   12.572   4.9661   17.845   6.6056   5.7169   7.5314  1036.84  210.649  682.565  257.777 354.2729 332.8990 
1 1 1   -3   30   21 o  519.292  205.992   2.4284   4.9910  -6.1654   7.5308   9.1596   6.6649  465.241  215.906  759.021  245.710 -293.7800 327.0915 
1 1 1   -3   30   23 o  647.816  255.108   4.2675   7.6032   0.0000   0.0000   4.2675   7.6032  ?   ?   647.816  255.108 0.000000 255.1084 
1 1 1   -3   30   25 o  659.711  244.229   5.7912   6.6929   0.9613   11.589   8.2085   8.1984  696.920  298.274  753.737  271.678 -56.81616 403.4551 
1 1 1   -3   31    2 o  751.613  307.221   3.7358   11.469   0.0000   0.0000   3.7358   11.469  ?   ?   751.613  307.221 0.000000 307.2206 
1 1 1   -3   31    4 o  589.831  229.995   3.4650   6.1292   3.6132   7.0416   3.0018   12.450  622.618  245.405  764.993  317.143 -142.3751 401.0027 
1 1 1   -3   31    6 o  577.928  211.513   4.3110   4.9968   3.2759   6.7439   5.5708   7.4402  605.082  239.630  681.029  256.435 -75.94647 350.9724 
1 1 1   -3   31    8 o  684.793  242.225   6.5959   6.4880   25.636   10.895  -3.8675   8.0763  1236.58  286.912  521.257  234.816 715.3207 370.7520 
1 1 1   -3   31   10 o  435.545  189.998  -0.9071   4.8823  -2.8763   7.0065   0.9516   6.8071  493.609  220.818  555.369  232.715 -61.75964 320.8061 
1 1 1   -3   31   12 o  498.720  220.768  -2.0813   6.8175  -2.0813   6.8175   0.0000   0.0000  498.720  220.768  ?   ?  0.000000 220.7681 
1 1 1   -3   31   14 o  528.170  219.682   1.1332   6.0018   1.1332   6.0018   0.0000   0.0000  528.170  219.682  ?   ?  0.000000 219.6816 
1 1 1   -3   31   16 o  374.017  181.373 -10.9603   6.6098 -10.9603   6.6098   0.0000   0.0000  374.017  181.373  ?   ?  0.000000 181.3728 
1 1 1   -3   31   18 o  1218.26  167.705   23.993   6.2278   42.611   8.9249   6.3234   8.6945  1627.34  178.053  726.727  276.360 900.6182 328.7524 
1 1 1   -3   31   20 o  571.228  212.478   4.0914   5.0777   5.7508   6.6610   1.7896   7.8452  661.943  243.915  605.644  251.471 56.29865 350.3316 
1 1 1   -3   31   22 o  400.862  181.666  -2.6833   4.9186  -2.1175   6.9403  -3.2543   6.9718  500.533  222.101  483.528  217.961 17.00519 311.1849 
1 1 1   -3   32    1 o  739.339  273.987   6.9328   8.4275   10.730   10.589   0.3707   13.920  870.075  309.263  766.244  327.396 103.8303 450.3687 
1 1 1   -3   32    3 o  735.381  266.310   7.2710   7.8911   4.9642   9.7517   11.647   13.431  729.724  288.419  937.696  346.208 -207.9726 450.6056 
1 1 1   -3   32    5 o  528.240  209.369   2.4176   5.1521   4.9319   7.1124  -0.3582   7.4733  657.022  249.930  555.778  238.740 101.2438 345.6329 
1 1 1   -3   32    7 o  376.146  176.651  -5.5256   5.2926  -0.9739   7.2965 -10.5797   7.6887  537.910  233.482  424.525  203.235 113.3847 309.5455 
1 1 1   -3   32    9 o  878.635  242.122   12.728   6.8748   6.0450   12.006   15.988   8.3856  804.813  319.417  981.605  266.135 -176.7912 415.7581 
1 1 1   -3   32   11 o  672.110  260.098   4.8025   7.7931   0.0000   0.0000   4.8025   7.7931  ?   ?   672.110  260.098 0.000000 260.0977 
1 1 1   -3   32   13 o  382.363  177.914  -4.6486   5.1673 -13.0093   7.3812   3.3873   7.2364  388.527  189.152  622.815  247.728 -234.2882 311.6846 
1 1 1   -3   32   15 o  579.845  223.387   3.6183   5.7285   12.496   7.8740  -6.3635   8.3495  875.818  264.706  497.588  229.651 378.2297 350.4409 
1 1 1   -2    0   10 o  4936.25   14.686  381.507   2.2699  381.507   2.2699  381.507   2.2699  4936.25   14.686  4936.25   14.686 -0.000000 0.000000 
1 1 1   -2    0   12 o  122.124   71.677   0.2688   0.4622   0.2688   0.4622   0.2688   0.4622  122.124   71.677  122.124   71.677 -0.000000 0.000000 
1 1 1   -2    0   14 o  223.764  119.056   1.1272   1.1289   1.1272   1.1289   1.1272   1.1289  223.764  119.056  223.764  119.056 -0.000000 0.000000 
1 1 1   -2    0   16 o  1066.27  138.984   18.754   4.4224   18.754   4.4224   18.754   4.4224  1066.27  138.984  1066.27  138.984 -0.000000 0.000000 
1 1 1   -2    0   20 o  1384.63  141.083   31.122   5.9713   31.122   5.9713   31.122   5.9713  1384.63  141.083  1384.63  141.083 -0.000000 0.000000 
1 1 1   -2    0   48 o  1310.30  161.264   28.660   6.3476   28.660   6.3476   28.660   6.3476  1310.30  161.264  1310.30  161.264 -0.000000 0.000000 
1 1 1   -2    0   50 o  2738.98  181.867  122.738   15.440  122.738   15.440  122.738   15.440  2738.98  181.867  2738.98  181.867 -0.000000 0.000000 
1 1 1   -2    0   52 o  1563.12  159.600   40.607   7.6250   40.607   7.6250   40.607   7.6250  1563.12  159.600  1563.12  159.600 -0.000000 0.000000 
1 1 1   -2    0   54 o  771.117  217.909   11.824   4.5564   11.824   4.5564   11.824   4.5564  771.117  217.909  771.117  217.909 -0.000000 0.000000 
1 1 1   -2    0   56 o  2162.56  171.021   78.641   11.414   78.641   11.414   78.641   11.414  2162.56  171.021  2162.56  171.021 -0.000000 0.000000 
1 1 1   -2    0   58 o  885.580  213.264   15.142   5.1278   15.142   5.1278   15.142   5.1278  885.580  213.264  885.580  213.264 -0.000000 0.000000 
1 1 1   -2    0   60 o  336.980  202.003   2.3580   3.8161   2.3580   3.8161   2.3580   3.8161  336.980  202.003  336.980  202.003 -0.000000 0.000000 
1 1 1   -2    0   62 o  1384.64  176.477   33.763   7.3123   33.763   7.3123   33.763   7.3123  1384.64  176.477  1384.64  176.477 -0.000000 0.000000 
1 1 1   -2    1    9 o  2321.91   20.131   84.414   1.4636  214.856   2.3365   0.1810   1.8776  3704.35   20.144  291.229  122.136 3413.120 123.7859 
1 1 1   -2    1   11 o  926.896   44.353   13.457   1.2873   28.806   1.8833  -0.0000   1.7635  1356.10   44.353  275.481  117.088 1080.619 125.2069 
1 1 1   -2    1   13 o  1676.76   35.173   44.035   1.8467   97.506   2.7475  -0.0278   2.4941  2495.10   35.167  326.290  138.978 2168.812 143.3584 
1 1 1   -2    1   15 o  249.215   80.110   0.9478   0.7094   1.5081   1.0917   0.5383   0.9334  312.700   99.258  232.688   90.023 80.01222 134.0008 
1 1 1   -2    1   17 f  2819.64  175.826  127.283   15.446  127.283   15.446   0.0000   0.0000  2819.64  175.826  ?   ?  0.000000 175.8260 
1 1 1   -2    1   19 o  3491.99  201.055  197.592   21.891   0.0000   0.0000  197.592   21.891  ?   ?   3491.99  201.055 0.000000 201.0555 
1 1 1   -2    1   21 o  1977.78  151.564   62.844   9.3148   0.0000   0.0000   62.844   9.3148  ?   ?   1977.78  151.564 0.000000 151.5639 
1 1 1   -2    1   23 o  1882.36  149.814   57.130   8.7572   0.0000   0.0000   57.130   8.7572  ?   ?   1882.36  149.814 0.000000 149.8143 
1 1 1   -2    1   25 o  1418.17  140.882   32.646   6.1733   0.0000   0.0000   32.646   6.1733  ?   ?   1418.17  140.882 0.000000 140.8816 
1 1 1   -2    1   27 o  1327.41  140.908   28.964   5.7672   0.0000   0.0000   28.964   5.7672  ?   ?   1327.41  140.908 0.000000 140.9085 
1 1 1   -2    1   29 o  3478.92  216.597  214.308   23.478   0.0000   0.0000  214.308   23.478  ?   ?   3478.92  216.597 0.000000 216.5972 
1 1 1   -2    1   31 o  1659.43  151.717   46.660   7.7961   0.0000   0.0000   46.660   7.7961  ?   ?   1659.43  151.717 0.000000 151.7171 
1 1 1   -2    1   33 o  1394.97  148.541   33.341   6.3884   0.0000   0.0000   33.341   6.3884  ?   ?   1394.97  148.541 0.000000 148.5408 
1 1 1   -2    1   35 o  2760.26  197.809  142.329   16.983   0.0000   0.0000  142.329   16.983  ?   ?   2760.26  197.809 0.000000 197.8089 
1 1 1   -2    1   37 o  1397.06  154.849   35.194   6.6600   0.0000   0.0000   35.194   6.6600  ?   ?   1397.06  154.849 0.000000 154.8486 
1 1 1   -2    1   39 o  1866.98  167.232   64.381   9.6727   0.0000   0.0000   64.381   9.6727  ?   ?   1866.98  167.232 0.000000 167.2319 
1 1 1   -2    1   41 o  1170.97  156.555   24.916   5.5965   0.0000   0.0000   24.916   5.5965  ?   ?   1170.97  156.555 0.000000 156.5547 
1 1 1   -2    1   43 o  975.657  162.939   17.769   4.8023   0.0000   0.0000   17.769   4.8023  ?   ?   975.657  162.939 0.000000 162.9392 
1 1 1   -2    1   45 o  431.856  160.428   3.2684   2.8928   0.0000   0.0000   3.2684   2.8928  ?   ?   431.856  160.428 0.000000 160.4276 
1 1 1   -2    1   53 o  337.041  150.384   2.4148   3.2270   0.0000   0.0000   2.4148   3.2270  ?   ?   337.041  150.384 0.000000 150.3837 
1 1 1   -2    1   55 o  888.501  310.682   71.256   10.652   0.0000   0.0000   71.256   10.652  ?   ?   888.501  310.682 0.000000 310.6818 
1 1 1   -2    1   57 o  307.441  146.193   5.6752   3.8402   0.0000   0.0000   5.6752   3.8402  ?   ?   307.441  146.193 0.000000 146.1925 
1 1 1   -2    1   59 o  378.411  187.452   46.160   8.3299   0.0000   0.0000   46.160   8.3299  ?   ?   378.411  187.452 0.000000 187.4515 
1 1 1   -2    1   61 o  427.092  211.242  112.356   10.430  111.506   14.862  113.181   14.640  ?   ?   ?   ?  0.000000      ? 
1 1 1   -2    2   10 o  1648.91   26.069   42.574   1.3460   96.080   2.0201  -0.1446   1.8050  2477.08   26.045  273.287  117.360 2203.792 120.2155 
1 1 1   -2    2   12 o  773.607   47.512   9.4110   1.1453   19.983   1.6689   0.0000   1.5747  1129.40   47.193  260.300  110.639 869.0947 120.2835 
1 1 1   -2    2   14 o  366.074   65.922   2.1660   0.7279   4.5446   1.1020   0.3253   0.9694  534.094   67.394  222.528   89.923 311.5658 112.3746 
1 1 1   -2    2   16 o  6801.64  344.133  772.209   73.054  772.209   73.054   0.0000   0.0000  6801.64  344.133  ?   ?  0.000000 344.1333 
1 1 1   -2    2   18 o  2362.36   34.861   87.450   2.5787  194.685   3.8521   0.3693   3.4713  3524.78   34.902  393.651  165.630 3131.127 169.2668 
1 1 1   -2    2   20 o  1452.43   49.620   33.096   2.2566   70.932   3.3111   0.2764   3.0838  2126.29   49.731  369.330  155.792 1756.961 163.5370 
1 1 1   -2    2   22 o  744.303   94.053   8.8831   2.1431   7.4871   3.0513   10.242   3.0107  671.650  148.984  793.557  125.323 -121.9079 194.6844 
1 1 1   -2    2   24 o  647.620  135.355   6.9510   2.6564   0.0000   0.0000   6.9510   2.6564  ?   ?   647.620  135.355 0.000000 135.3552 
1 1 1   -2    2   26 o  1681.76  146.191   46.202   7.6218   0.0000   0.0000   46.202   7.6218  ?   ?   1681.76  146.191 0.000000 146.1909 
1 1 1   -2    2   28 o  587.296  145.227   5.8849   2.6557   0.0000   0.0000   5.8849   2.6557  ?   ?   587.296  145.227 0.000000 145.2269 
1 1 1   -2    2   30 o  1755.90  152.268   51.982   8.2891   0.0000   0.0000   51.982   8.2891  ?   ?   1755.90  152.268 0.000000 152.2678 
1 1 1   -2    2   32 o  1225.29  144.888   25.513   5.4513   0.0000   0.0000   25.513   5.4513  ?   ?   1225.29  144.888 0.000000 144.8883 
1 1 1   -2    2   34 o  3284.46  221.511  205.049   22.648   0.0000   0.0000  205.049   22.648  ?   ?   3284.46  221.511 0.000000 221.5111 
1 1 1   -2    2   36 o  1680.26  158.007   50.543   8.2156   0.0000   0.0000   50.543   8.2156  ?   ?   1680.26  158.007 0.000000 158.0070 
1 1 1   -2    2   38 o  959.289  153.370   16.727   4.4517   0.0000   0.0000   16.727   4.4517  ?   ?   959.289  153.370 0.000000 153.3704 
1 1 1   -2    2   40 o  1356.39  154.006   33.143   6.4250   0.0000   0.0000   33.143   6.4250  ?   ?   1356.39  154.006 0.000000 154.0064 
1 1 1   -2    2   42 o  2061.85  174.090   79.411   11.134   0.0000   0.0000   79.411   11.134  ?   ?   2061.85  174.090 0.000000 174.0901 
1 1 1   -2    2   44 o  1656.23  164.789   51.557   8.4326   0.0000   0.0000   51.557   8.4326  ?   ?   1656.23  164.789 0.000000 164.7889 
1 1 1   -2    2   46 o  2020.78  182.977   82.120   11.452   0.0000   0.0000   82.120   11.452  ?   ?   2020.78  182.977 0.000000 182.9771 
1 1 1   -2    2   48 o  1071.26  168.613   23.023   5.4690   0.0000   0.0000   23.023   5.4690  ?   ?   1071.26  168.613 0.000000 168.6135 
1 1 1   -2    2   50 o  1448.30  177.445   45.511   7.8788   0.0000   0.0000   45.511   7.8788  ?   ?   1448.30  177.445 0.000000 177.4453 
1 1 1   -2    2   58 o  447.651  205.037   30.065   6.4822   0.0000   0.0000   30.065   6.4822  ?   ?   447.651  205.037 0.000000 205.0371 
1 1 1   -2    2   60 o  267.451  130.876   7.4171   3.6671  -7.5167   10.323   9.5740   3.9231  ?   ?   283.046  137.821 0.000000 137.8206 
1 1 1   -2    2   62 o  ?   ?    63.933   10.008   0.0000   0.0000   63.933   10.008  ?   ?   ?   ?  0.000000      ? 
1 1 1   -2    3    7 o  7186.81   9.9942  808.665   2.2491  4641.39   5.3877  -0.1773   2.4750 17217.74   9.9933  320.589  137.543 16897.15 137.9057 
1 1 1   -2    3    9 o  6185.93   11.683  599.115   2.2629  2166.52   4.3030  -0.0600   2.6605 11763.35   11.682  336.289  143.394 11427.06 143.8695 
1 1 1   -2    3   11 o  1286.44   39.138   25.920   1.5765   54.055   2.2799   0.1434   2.1823  1857.74   39.194  311.351  131.182 1546.387 136.9116 
1 1 1   -2    3   13 o  3514.93   16.526  193.447   1.8189  554.633   3.0795  -0.0791   2.2541  5951.66   16.524  308.338  131.746 5643.320 132.7784 
1 1 1   -2    3   15 o  1397.94  137.107   31.168   5.9243   31.168   5.9243   0.0000   0.0000  1397.94  137.107  ?   ?  0.000000 137.1072 
1 1 1   -2    3   17 o  2771.42   26.157  120.306   2.2699  283.522   3.4856   0.1102   2.9911  4254.53   26.164  359.852  152.702 3894.675 154.9275 
1 1 1   -2    3   19 o  661.045   58.866   6.9144   1.2057   14.586   1.7882   0.5191   1.6327  962.009   59.657  286.323  116.346 675.6855 130.7495 
1 1 1   -2    3   21 o  1032.12   54.161   16.768   1.7443   34.825   2.5537   0.9773   2.3881  1489.41   54.758  353.417  141.726 1135.993 151.9363 
1 1 1   -2    3   23 o  187.464   75.794   0.2333   0.6891   0.0000   0.0000   0.2333   0.6891  ?   ?   187.464   75.794 0.000000 75.79429 
1 1 1   -2    3   25 o  4491.71  166.166  328.747   23.371  367.849   33.067  289.723   33.035  4674.27  225.928  4098.17  258.762 576.1025 343.5128 
1 1 1   -2    3   27 o  3321.07  137.790  179.587   14.329  182.574   20.266  176.600   20.262  3277.12  198.433  3218.21  202.098 58.91772 283.2296 
1 1 1   -2    3   29 o  2255.29  165.486   86.033   11.605   0.0000   0.0000   86.033   11.605  ?   ?   2255.29  165.486 0.000000 165.4855 
1 1 1   -2    3   31 f  1476.21  145.866   36.753   6.6543   0.0000   0.0000   36.753   6.6543  ?   ?   1476.21  145.866 0.000000 145.8661 
1 1 1   -2    3   33 o  931.022  143.799   14.911   4.0571   0.0000   0.0000   14.911   4.0571  ?   ?   931.022  143.799 0.000000 143.7990 
1 1 1   -2    3   35 o  1398.80  149.391   34.252   6.4421   0.0000   0.0000   34.252   6.4421  ?   ?   1398.80  149.391 0.000000 149.3905 
1 1 1   -2    3   37 o  1021.77  150.188   18.742   4.6617   0.0000   0.0000   18.742   4.6617  ?   ?   1021.77  150.188 0.000000 150.1882 
1 1 1   -2    3   39 f  1255.61  151.415   28.296   5.8330   0.0000   0.0000   28.296   5.8330  ?   ?   1255.61  151.415 0.000000 151.4149 
1 1 1   -2    3   41 o  1124.18  151.818   22.714   5.2074   0.0000   0.0000   22.714   5.2074  ?   ?   1124.18  151.818 0.000000 151.8184 
1 1 1   -2    3   43 o  3784.26  327.665  380.928   38.443   0.0000   0.0000  380.928   38.443  ?   ?   3784.26  327.665 0.000000 327.6654 
1 1 1   -2    3   45 o  904.390  160.582   15.562   4.3809   0.0000   0.0000   15.562   4.3809  ?   ?   904.390  160.582 0.000000 160.5819 
1 1 1   -2    3   47 o  875.955  166.288   15.162   4.3942   0.0000   0.0000   15.162   4.3942  ?   ?   875.955  166.288 0.000000 166.2880 
1 1 1   -2    3   49 o  971.777  171.158   19.499   5.0179   0.0000   0.0000   19.499   5.0179  ?   ?   971.777  171.158 0.000000 171.1585 
1 1 1   -2    3   51 o  299.073  131.903   0.6252   2.4117   0.0000   0.0000   0.6252   2.4117  ?   ?   299.073  131.903 0.000000 131.9026 
1 1 1   -2    3   53 o  1368.71  250.222   69.733   10.329   0.0000   0.0000   69.733   10.329  ?   ?   1368.71  250.222 0.000000 250.2218 
1 1 1   -2    3   57 o  ?   ?   101.929   16.269  101.929   16.269   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -2    3   61 o  ?   ?   157.863   18.607   0.0000   0.0000  157.863   18.607  ?   ?   ?   ?  0.000000      ? 
1 1 1   -2    4    6 o  3031.49   27.643  143.901   2.6240  307.458   3.8352  -0.0414   3.5979  4431.15   27.641  391.943  166.931 4039.205 169.2038 
1 1 1   -2    4    8 o  2425.05   30.590   92.092   2.3229  193.617   3.3712   0.3224   3.2051  3516.28   30.619  380.412  159.559 3135.864 162.4700 
1 1 1   -2    4   10 o  1314.11   44.538   27.051   1.8327   55.711   2.6348   0.1901   2.5508  1885.87   44.619  337.226  141.939 1548.646 148.7874 
1 1 1   -2    4   12 o  2490.92   28.968   97.170   2.2594  208.359   3.3109   0.2601   3.0910  3647.54   28.989  371.535  156.308 3276.002 158.9734 
1 1 1   -2    4   14 o  1802.05   36.663   50.874   2.0688  106.613   3.0029   0.5179   2.8542  2608.70   36.762  365.521  151.717 2243.177 156.1069 
1 1 1   -2    4   16 f  805.759   52.268   10.225   1.3116   21.363   1.9147   0.3753   1.8004  1167.14   52.390  292.552  120.887 874.5870 131.7511 
1 1 1   -2    4   18 o  1634.91   35.041   41.887   1.7939   91.773   2.6633   0.4590   2.4270  2419.97   35.147  337.020  139.897 2082.949 144.2443 
1 1 1   -2    4   20 o  516.768   70.151   4.2745   1.1058   8.1941   1.6287   0.9228   1.5061  718.113   73.468  297.315  114.542 420.7973 136.0789 
1 1 1   -2    4   22 o   53.701   26.306  -0.2960   0.1493   0.0000   0.0000  -0.2960   0.1493  ?   ?    53.701   26.306 0.000000 26.30559 
1 1 1   -2    4   24 o  1055.85   65.879   17.620   2.1672   34.922   3.1286   1.6589   3.0049  1489.14   67.096  408.584  160.543 1080.552 173.9995 
1 1 1   -2    4   26 o  2039.30   51.350   65.429   3.2790  137.118   4.7670   1.0500   4.5174  2952.12   51.569  452.654  189.621 2499.462 196.5081 
1 1 1   -2    4   28 o  826.980   94.344   11.077   2.3993   10.372   3.4127   11.767   3.3738  783.008  144.517  839.687  132.730 -56.67914 196.2206 
1 1 1   -2    4   30 o  1753.17  103.634   49.831   5.6638   49.779   8.0160   49.883   8.0038  1720.36  150.315  1722.49  149.890 -2.125488 212.2769 
1 1 1   -2    4   32 o  2063.42  161.511   73.102   10.352   0.0000   0.0000   73.102   10.352  ?   ?   2063.42  161.511 0.000000 161.5111 
1 1 1   -2    4   34 o  754.536  146.129   9.9924   3.3278   0.0000   0.0000   9.9924   3.3278  ?   ?   754.536  146.129 0.000000 146.1286 
1 1 1   -2    4   36 o  2626.66  193.372  130.346   15.792   0.0000   0.0000  130.346   15.792  ?   ?   2626.66  193.372 0.000000 193.3718 
1 1 1   -2    4   38 o  571.367  151.111   5.9953   2.7450   0.0000   0.0000   5.9953   2.7450  ?   ?   571.367  151.111 0.000000 151.1113 
1 1 1   -2    4   40 o  2022.96  168.532   74.587   10.578   0.0000   0.0000   74.587   10.578  ?   ?   2022.96  168.532 0.000000 168.5321 
1 1 1   -2    4   42 o  654.413  157.336   7.9525   3.1843   0.0000   0.0000   7.9525   3.1843  ?   ?   654.413  157.336 0.000000 157.3361 
1 1 1   -2    4   44 o  890.232  157.090   14.780   4.2189   0.0000   0.0000   14.780   4.2189  ?   ?   890.232  157.090 0.000000 157.0903 
1 1 1   -2    4   46 o  561.317  162.321   6.2194   3.0148   0.0000   0.0000   6.2194   3.0148  ?   ?   561.317  162.321 0.000000 162.3211 
1 1 1   -2    4   48 o  1537.17  167.128   46.870   7.9147   0.0000   0.0000   46.870   7.9147  ?   ?   1537.17  167.128 0.000000 167.1279 
1 1 1   -2    4   50 o  2557.43  294.583  209.871   23.159   0.0000   0.0000  209.871   23.159  ?   ?   2557.43  294.583 0.000000 294.5832 
1 1 1   -2    4   52 o  1168.15  193.809   36.118   6.8406   0.0000   0.0000   36.118   6.8406  ?   ?   1168.15  193.809 0.000000 193.8090 
1 1 1   -2    4   56 o  474.460  188.806   12.654   4.2053   0.0000   0.0000   12.654   4.2053  ?   ?   474.460  188.806 0.000000 188.8063 
1 1 1   -2    4   58 f  478.728  229.130   63.904   9.7598   0.0000   0.0000   63.904   9.7598  ?   ?   478.728  229.130 0.000000 229.1300 
1 1 1   -2    5    1 o  4321.58  227.828  296.094   30.721   0.0000   0.0000  296.094   30.721  ?   ?   4321.58  227.828 0.000000 227.8283 
1 1 1   -2    5    3 o  4515.23  164.721  320.887   23.289  324.382   32.935  317.392   32.935  4521.87  233.403  4472.10  236.034 49.77588 331.9472 
1 1 1   -2    5    5 o  1534.26  138.839   37.302   6.5978   0.0000   0.0000   37.302   6.5978  ?   ?   1534.26  138.839 0.000000 138.8394 
1 1 1   -2    5    7 o  4316.28  227.926  295.951   30.696  295.951   30.696   0.0000   0.0000  4316.28  227.926  ?   ?  0.000000 227.9260 
1 1 1   -2    5    9 o  1372.91   83.822   29.676   3.5862   46.375   5.0851   13.154   5.0582  1716.34   94.989  896.101  186.344 820.2423 209.1580 
1 1 1   -2    5   11 o  1528.63  139.029   37.129   6.5819   37.129   6.5819   0.0000   0.0000  1528.63  139.029  ?   ?  0.000000 139.0295 
1 1 1   -2    5   13 f  2866.43  176.408  130.953   15.757  130.953   15.757   0.0000   0.0000  2866.43  176.408  ?   ?  0.000000 176.4085 
1 1 1   -2    5   15 o  2427.32   35.361   92.313   2.6876  195.024   3.9119   0.4916   3.6988  3528.08   35.411  409.535  171.571 3118.549 175.1870 
1 1 1   -2    5   17 o  506.476   68.637   4.1027   1.0605   8.3211   1.5643   0.5153   1.4426  724.441   69.824  272.240  109.805 452.2018 130.1258 
1 1 1   -2    5   19 o  473.854   73.551   3.6131   1.0559   7.1511   1.5608   0.6268   1.4339  670.096   75.712  277.035  110.249 393.0609 133.7430 
1 1 1   -2    5   21 o  169.806   69.241   0.1646   0.5808   0.0000   0.0000   0.1646   0.5808  ?   ?   169.806   69.241 0.000000 69.24146 
1 1 1   -2    5   23 o  925.280   57.955   13.509   1.6706   28.386   2.4256   0.0827   2.3044  1343.86   57.642  314.834  133.830 1029.030 145.7160 
1 1 1   -2    5   25 o  683.646   69.573   7.4503   1.4686   14.830   2.1464   0.9552   2.0137  966.608   71.422  328.490  130.673 638.1176 148.9174 
1 1 1   -2    5   27 o  617.863   68.367   6.1114   1.3005   14.437   1.9254  -0.8740   1.7637  953.580   64.868  241.919  109.285 711.6605 127.0872 
1 1 1   -2    5   29 o  914.999   70.137   13.362   1.9942   28.020   2.8981   0.1803   2.7483  1326.99   69.995  339.723  145.322 987.2628 161.3006 
1 1 1   -2    5   31 o  1945.04  107.591   61.602   6.5272   58.662   9.2430   64.527   9.2189  1854.84  160.734  1954.30  151.842 -99.46582 221.1134 
1 1 1   -2    5   33 o  1999.54  108.802   65.664   6.7865   66.754   9.6150   64.581   9.5803  1967.08  157.421  1931.98  159.800 35.10242 224.3151 
1 1 1   -2    5   35 o  2473.22  120.752  102.704   9.3513   97.212   13.232  108.185   13.218  2299.46  185.346  2448.37  173.534 -148.9077 253.9033 
1 1 1   -2    5   37 o  481.772  139.704   4.1443   2.2304   0.0000   0.0000   4.1443   2.2304  ?   ?   481.772  139.704 0.000000 139.7038 
1 1 1   -2    5   39 o  3134.19  222.926  195.358   21.735   0.0000   0.0000  195.358   21.735  ?   ?   3134.19  222.926 0.000000 222.9257 
1 1 1   -2    5   41 o  1508.88  152.220   40.485   7.0936   0.0000   0.0000   40.485   7.0936  ?   ?   1508.88  152.220 0.000000 152.2197 
1 1 1   -2    5   43 o  890.970  150.252   14.436   4.0427   0.0000   0.0000   14.436   4.0427  ?   ?   890.970  150.252 0.000000 150.2523 
1 1 1   -2    5   45 o  1154.04  153.138   24.686   5.3971   0.0000   0.0000   24.686   5.3971  ?   ?   1154.04  153.138 0.000000 153.1381 
1 1 1   -2    5   47 o  3261.53  311.179  302.187   31.394   0.0000   0.0000  302.187   31.394  ?   ?   3261.53  311.179 0.000000 311.1787 
1 1 1   -2    5   49 o  1884.53  184.715   75.701   10.760   0.0000   0.0000   75.701   10.760  ?   ?   1884.53  184.715 0.000000 184.7151 
1 1 1   -2    5   51 o  2136.61  405.467  243.146   26.134   0.0000   0.0000  243.146   26.134  ?   ?   2136.61  405.467 0.000000 405.4675 
1 1 1   -2    5   55 o  1562.97  199.904   87.135   9.5592   82.139   15.474   90.218   12.156  481.130  241.006  943.524  331.789 -462.3934 410.0831 
1 1 1   -2    5   57 o  734.573  209.208   26.595   5.0441   34.156   11.104   24.630   5.6620  ?   ?   541.589  217.858 0.000000 217.8582 
1 1 1   -2    5   59 o  593.870  240.543   46.802   6.9542   45.358   13.661   47.308   8.0794  ?   ?   421.588  203.459 0.000000 203.4590 
1 1 1   -2    5   61 o  422.895  203.327   64.122   7.8838   79.533   14.822   58.043   9.3099  ?   ?   ?   ?  0.000000      ? 
1 1 1   -2    6    2 o 10501.49  347.185  1771.64  114.164  1755.44  161.450  1787.85  161.454 10313.51  499.937 10413.39  495.154 -99.88281 703.6439 
1 1 1   -2    6    4 o  6724.86  228.705  716.489   48.159  716.825   68.106  716.153   68.108  6686.19  325.302  6682.98  325.471 3.215820 460.1662 
1 1 1   -2    6    6 o  4801.21  172.731  363.632   25.968  357.048   36.722  370.218   36.727  4732.30  248.690  4820.58  244.111 -88.27588 348.4780 
1 1 1   -2    6    8 o  3811.66  146.258  228.922   17.456  230.671   24.687  227.173   24.687  3808.43  207.798  3778.88  209.455 29.54810 295.0450 
1 1 1   -2    6   10 o  4211.57  225.270  283.629   29.600   0.0000   0.0000  283.629   29.600  ?   ?   4211.57  225.270 0.000000 225.2699 
1 1 1   -2    6   12 o  1087.55  132.852   18.941   4.4301   18.941   4.4301   0.0000   0.0000  1087.55  132.852  ?   ?  0.000000 132.8521 
1 1 1   -2    6   14 o  3099.50  185.042  153.924   17.877  153.924   17.877   0.0000   0.0000  3099.50  185.042  ?   ?  0.000000 185.0420 
1 1 1   -2    6   16 o  828.625   79.851   10.896   2.0462   16.956   2.9268   5.1021   2.8618  1033.74   91.361  558.441  157.072 475.3002 181.7103 
1 1 1   -2    6   18 o  1568.89   51.748   38.615   2.5421   81.871   3.6650  -1.4956   3.5292  2284.49   51.234  349.425  156.489 1935.070 164.6622 
1 1 1   -2    6   20 o  200.421   79.002   0.3516   0.7298   0.0000   0.0000   0.3516   0.7298  ?   ?   200.421   79.002 0.000000 79.00227 
1 1 1   -2    6   22 o  825.619   65.650   10.789   1.6832   21.876   2.4393   0.7121   2.3255  1177.38   66.436  338.976  138.423 838.4010 153.5407 
1 1 1   -2    6   24 o  985.612   59.379   15.345   1.8240   32.597   2.6639   0.1180   2.5027  1439.13   59.116  327.651  139.378 1111.480 151.3970 
1 1 1   -2    6   26 o  2129.33   44.003   71.269   2.9339  153.312   4.3061   0.1892   4.0081  3123.05   44.034  407.435  174.924 2715.612 180.3812 
1 1 1   -2    6   28 o  717.787   75.724   8.2717   1.6763   17.912   2.4199  -0.6212   2.3242  1059.87   73.367  290.397  128.709 769.4691 148.1512 
1 1 1   -2    6   30 o  1711.12   63.987   46.395   3.4284   94.546   4.9322   1.3791   4.7689  2442.47   64.490  461.171  194.092 1981.294 204.5251 
1 1 1   -2    6   32 o  1293.61   94.334   27.154   3.7948   31.885   5.4100   22.573   5.3243  1383.75  126.249  1147.24  151.953 236.5156 197.5565 
1 1 1   -2    6   34 o  1079.20   95.715   19.112   3.2009   18.848   4.5479   19.371   4.5058  1043.49  142.945  1060.70  139.010 -17.20959 199.3918 
1 1 1   -2    6   36 o  934.073   96.027   14.439   2.7686   14.565   3.9530   14.317   3.8789  909.625  143.548  902.862  141.883 6.763733 201.8339 
1 1 1   -2    6   38 f  1747.53  105.627   50.718   5.7527   47.324   8.1428   54.100   8.1283  1626.93  161.995  1756.39  149.208 -129.4618 220.2396 
1 1 1   -2    6   40 o  951.276  143.386   15.899   4.1384   0.0000   0.0000   15.899   4.1384  ?   ?   951.276  143.386 0.000000 143.3857 
1 1 1   -2    6   42 o  1249.90  146.891   27.720   5.6393   0.0000   0.0000   27.720   5.6393  ?   ?   1249.90  146.891 0.000000 146.8910 
1 1 1   -2    6   44 o  3193.78  246.067  224.975   24.418   0.0000   0.0000  224.975   24.418  ?   ?   3193.78  246.067 0.000000 246.0673 
1 1 1   -2    6   46 o  2640.82  211.875  147.250   17.373   0.0000   0.0000  147.250   17.373  ?   ?   2640.82  211.875 0.000000 211.8748 
1 1 1   -2    6   50 o  530.734  162.676   6.1945   2.9595   0.0000   0.0000   6.1945   2.9595  ?   ?   530.734  162.676 0.000000 162.6764 
1 1 1   -2    6   52 o  1043.56  351.587   74.165   13.606   74.165   13.606   0.0000   0.0000  1043.56  351.587  ?   ?  0.000000 351.5872 
1 1 1   -2    6   54 o  450.629  159.645   6.3308   2.8193   16.343   9.3342   5.3257   2.9575  394.470  195.927  402.561  158.922 -8.090942 252.2766 
1 1 1   -2    6   56 f  1177.57  200.508   53.187   7.1284   55.638   13.111   52.158   8.4935  399.331  202.507  784.500  277.182 -385.1695 343.2770 
1 1 1   -2    6   58 o  654.898  218.946   28.458   5.2762   32.471   11.973   27.491   5.8776  ?   ?   503.525  213.881 0.000000 213.8811 
1 1 1   -2    6   60 o  479.628  221.465   56.925   7.7783   54.638   15.050   57.759   9.0860  ?   ?   355.170  178.799 0.000000 178.7988 
1 1 1   -2    7    1 o  5069.55  258.849  410.420   40.953   0.0000   0.0000  410.420   40.953  ?   ?   5069.55  258.849 0.000000 258.8493 
1 1 1   -2    7    3 o  5421.03  190.678  464.676   32.367  465.338   45.772  464.013   45.776  5391.05  272.026  5383.16  272.456 7.890625 385.0069 
1 1 1   -2    7    5 o  3112.02  128.654  152.373   12.537  146.902   17.727  157.848   17.732  3041.78  187.023  3154.99  180.242 -113.2141 259.7404 
1 1 1   -2    7    7 o  1873.90  147.141   55.712   8.5642   0.0000   0.0000   55.712   8.5642  ?   ?   1873.90  147.141 0.000000 147.1407 
1 1 1   -2    7    9 o  2500.35  114.914   98.406   8.9968  101.563   12.725   95.251   12.722  2528.55  161.560  2447.17  167.025 81.39063 232.3769 
1 1 1   -2    7   11 o  2445.82  113.491   94.245   8.6917  100.172   12.296   88.326   12.288  2509.61  157.269  2353.33  167.852 156.2744 230.0173 
1 1 1   -2    7   13 o  897.251  133.648   13.006   3.6403   13.006   3.6403   0.0000   0.0000  897.251  133.648  ?   ?  0.000000 133.6478 
1 1 1   -2    7   15 o  4618.15  245.385  347.968   35.357  347.968   35.357   0.0000   0.0000  4618.15  245.385  ?   ?  0.000000 245.3854 
1 1 1   -2    7   17 o  1349.58   95.924   28.847   4.0272   27.138   5.7038   30.545   5.6870  1299.67  142.492  1381.85  133.079 -82.17346 194.9719 
1 1 1   -2    7   19 o  1118.41   93.935   19.864   3.2592   17.682   4.6181   22.029   4.6003  1044.13  145.179  1171.64  127.450 -127.5116 193.1849 
1 1 1   -2    7   21 o  621.898   96.082   6.2520   1.8107   5.3062   2.5945   7.1502   2.5283  565.428  145.648  659.650  127.012 -94.22235 193.2498 
1 1 1   -2    7   23 o  1520.80   98.742   36.856   4.6767   35.955   6.6335   37.746   6.5942  1487.39  144.243  1526.06  139.544 -38.66199 200.6953 
1 1 1   -2    7   25 o  735.900  134.829   9.0186   2.9924   0.0000   0.0000   9.0186   2.9924  ?   ?   735.900  134.829 0.000000 134.8293 
1 1 1   -2    7   27 o  219.085   80.032   0.6206   0.7149   3.4118   1.1326  -1.2282   0.9218  456.502   82.258  148.398   70.859 308.1040 108.5696 
1 1 1   -2    7   29 o  1302.13   69.820   26.971   2.8364   52.302   4.0839   3.3655   3.9423  1815.08   71.857  492.892  186.416 1322.188 199.7854 
1 1 1   -2    7   31 o  1249.77   79.705   25.049   3.1029   42.423   4.4543   8.6702   4.3248  1623.80   87.933  691.844  192.564 931.9526 211.6916 
1 1 1   -2    7   33 o  1646.25  100.800   44.316   5.1710   47.698   7.3522   41.005   7.2743  1674.42  141.554  1541.93  152.670 132.4829 208.1964 
1 1 1   -2    7   35 o  527.094  104.368   4.7140   1.6616   4.3693   2.4365   5.0137   2.2719  496.697  146.589  533.051  135.746 -36.35425 199.7883 
1 1 1   -2    7   37 o  869.751   95.563   12.496   2.5597   14.432   3.6653   10.653   3.5762  915.345  131.670  771.858  153.371 143.4868 202.1377 
1 1 1   -2    7   39 o  1531.94  101.777   38.703   4.8543   34.487   6.8654   42.918   6.8647  1395.52  160.006  1578.57  140.345 -183.0531 212.8347 
1 1 1   -2    7   41 o  497.591  106.981   4.2439   1.6173   2.6636   2.2704   5.8718   2.3043  405.920  143.321  577.479  130.507 -171.5592 193.8376 
1 1 1   -2    7   43 o  2752.11  204.438  148.982   17.492   0.0000   0.0000  148.982   17.492  ?   ?   2752.11  204.438 0.000000 204.4375 
1 1 1   -2    7   45 o  1129.17  148.404   23.243   5.1200   0.0000   0.0000   23.243   5.1200  ?   ?   1129.17  148.404 0.000000 148.4039 
1 1 1   -2    7   47 o  889.081  134.669   14.367   3.6317   13.960   8.4616   14.459   4.0209  697.296  270.695  875.986  152.109 -178.6903 310.5043 
1 1 1   -2    7   49 o  1018.71  139.103   19.756   4.3212   15.580   9.3228   20.899   4.8766  645.770  271.558  1024.52  157.020 -378.7495 313.6859 
1 1 1   -2    7   51 o  1064.96  144.969   23.893   4.7086   23.326   10.062   24.051   5.3280  610.606  269.354  1015.93  173.732 -405.3201 320.5221 
1 1 1   -2    7   53 o  813.056  161.588   16.779   3.9689   25.554   10.397   15.282   4.2940  482.779  232.455  710.828  189.477 -228.0490 299.8949 
1 1 1   -2    7   55 o  425.625  159.690   6.4052   2.8802   10.133   10.531   6.1038   2.9944  ?   ?   406.409  160.080 0.000000 160.0800 
1 1 1   -2    7   57 o  175.166   85.291  -1.1738   1.5024   12.057   11.199  -1.4163   1.5161  ?   ?   171.361   83.918 0.000000 83.91770 
1 1 1   -2    7   59 o  962.542  260.909   73.292   8.0606  104.050   15.113   61.063   9.5292  ?   ?   418.431  206.002 0.000000 206.0016 
1 1 1   -2    8    2 o  1971.38  105.183   61.248   6.4693   63.789   9.1728   58.734   9.1255  2005.81  147.073  1923.27  152.789 82.53503 212.0727 
1 1 1   -2    8    4 o  1856.86  104.448   54.364   6.0482   52.270   8.5914   56.422   8.5161  1813.28  152.738  1885.69  145.350 -72.41638 210.8442 
1 1 1   -2    8    6 o  5609.33  284.344  509.665   49.780   0.0000   0.0000  509.665   49.780  ?   ?   5609.33  284.344 0.000000 284.3441 
1 1 1   -2    8    8 o  4241.85  158.362  284.884   21.034  289.991   29.745  279.775   29.748  4250.44  224.289  4172.75  228.545 77.69287 320.2166 
1 1 1   -2    8   10 o  1361.57   95.745   29.304   4.0560   30.145   5.7504   28.471   5.7219  1374.66  135.350  1334.89  138.927 39.76794 193.9595 
1 1 1   -2    8   12 o  751.888  136.154   9.2149   3.0875   9.2149   3.0875   0.0000   0.0000  751.888  136.154  ?   ?  0.000000 136.1545 
1 1 1   -2    8   16 o  945.802  134.009   14.449   3.8577   14.449   3.8577   0.0000   0.0000  945.802  134.009  ?   ?  0.000000 134.0086 
1 1 1   -2    8   18 o  3115.22  129.202  153.976   12.603  144.882   17.818  163.081   17.829  2992.85  191.129  3181.73  179.690 -188.8835 262.3336 
1 1 1   -2    8   20 o  3340.59  196.490  182.010   20.463  182.010   20.463   0.0000   0.0000  3340.59  196.490  ?   ?  0.000000 196.4901 
1 1 1   -2    8   22 o  1954.05  105.242   60.837   6.4156   62.922   9.0819   58.761   9.0643  1970.77  148.258  1901.85  153.517 68.92126 213.4195 
1 1 1   -2    8   24 o  715.599  138.675   8.5478   2.9951   8.5478   2.9951   0.0000   0.0000  715.599  138.675  ?   ?  0.000000 138.6754 
1 1 1   -2    8   26 o  255.549   91.822   0.8845   0.9358   1.4735   1.3512   0.3414   1.2973  318.208  110.689  250.075  102.900 68.13371 151.1305 
1 1 1   -2    8   28 o  1382.72   97.951   30.792   4.2135   28.337   5.9682   33.231   5.9494  1302.70  148.993  1419.17  135.529 -116.4669 201.4126 
1 1 1   -2    8   30 o  1834.53  106.194   54.600   6.0741   49.704   8.6103   59.450   8.5700  1710.51  162.719  1885.60  146.294 -175.0962 218.8140 
1 1 1   -2    8   32 o  706.668   95.854   8.2113   2.0663   9.8644   2.9551   6.6300   2.8903  762.569  128.314  614.217  151.277 148.3528 198.3664 
1 1 1   -2    8   34 o  1125.15   97.261   20.770   3.3929   19.744   4.8363   21.765   4.7612  1065.32  149.066  1127.09  137.779 -61.76733 202.9870 
1 1 1   -2    8   36 o  522.476  106.600   4.6356   1.6849   3.7240   2.4603   5.4408   2.3122  464.716  149.167  557.084  134.155 -92.36823 200.6198 
1 1 1   -2    8   38 o  1850.85  108.414   56.566   6.2557   49.592   8.8705   63.466   8.8234  1668.75  172.239  1918.97  147.984 -250.2233 227.0803 
1 1 1   -2    8   40 o  1688.38  105.628   47.129   5.5562   39.750   7.8758   54.440   7.8396  1486.91  172.354  1778.06  141.993 -291.1464 223.3109 
1 1 1   -2    8   42 o  1724.60   83.582   48.345   4.5136   52.145   5.8221   42.620   7.1456  1769.28  105.572  1554.12  148.650 215.1538 182.3250 
1 1 1   -2    8   44 o  1598.93   89.140   42.144   4.4452   41.370   5.7352   43.308   7.0349  1554.47  118.725  1557.59  145.942 -3.117065 188.1349 
1 1 1   -2    8   46 o  1610.68  132.419   45.936   6.6193   34.085   11.034   52.600   8.2736  1115.16  306.500  1682.57  158.920 -567.4132 345.2505 
1 1 1   -2    8   48 o  1791.40  133.510   58.650   7.4352   51.172   12.184   63.087   9.3854  1342.77  297.599  1781.35  170.340 -438.5742 342.9005 
1 1 1   -2    8   50 o  2116.47  141.683   89.542   9.3354   90.522   14.912   88.910   11.972  1607.11  307.524  1905.66  203.790 -298.5452 368.9186 
1 1 1   -2    8   52 o  321.219  130.415   1.9898   2.0494   3.1870   9.3393   1.9293   2.1006  381.784  190.642  319.471  131.133 62.31305 231.3876 
1 1 1   -2    8   54 o  1294.04  161.036   44.872   6.3839   55.007   12.903   41.587   7.3461  540.568  259.957  1034.45  232.458 -493.8811 348.7322 
1 1 1   -2    8   56 o  269.626  119.984   1.6465   2.0396   22.363   10.830   0.8847   2.0767  ?   ?   248.948  114.769 0.000000 114.7690 
1 1 1   -2    8   58 o  385.908  160.095   8.2868   3.1757   14.139   11.439   7.7979   3.3057  ?   ?   360.976  156.919 0.000000 156.9194 
1 1 1   -2    8   60 o  398.887  175.519   17.100   4.2471   25.624   13.128   16.104   4.4885  ?   ?   353.106  164.806 0.000000 164.8063 
1 1 1   -2    9    1 o  2267.35  110.985   80.904   7.8795   76.570   11.140   85.243   11.147  2193.34  163.370  2316.76  154.547 -123.4246 224.8884 
1 1 1   -2    9    3 o  2001.56   84.431   62.916   5.2916   62.743   6.4786   63.262   9.1717  1994.54  104.095  1995.44  147.841 -0.9018555 180.8114 
1 1 1   -2    9    5 o  2828.12  100.470  125.799   8.8972  127.499   10.905  122.413   15.387  2844.02  122.457  2770.75  178.299 73.27075 216.3010 
1 1 1   -2    9    7 o  2604.68  111.415  106.868   9.0869  125.609   12.925   88.551   12.778  2813.75  147.210  2354.41  174.567 459.3457 228.3519 
1 1 1   -2    9    9 o  2268.46  113.246   81.116   8.0440   75.293   11.433   86.824   11.320  2170.11  169.595  2334.90  155.726 -164.7896 230.2455 
1 1 1   -2    9   11 f  2738.70  174.845  119.911   14.916  119.911   14.916   0.0000   0.0000  2738.70  174.845  ?   ?  0.000000 174.8447 
1 1 1   -2    9   13 o  3289.37  134.738  171.261   13.878  169.959   19.699  172.543   19.554  3252.43  194.320  3278.41  191.311 -25.98511 272.6903 
1 1 1   -2    9   15 o  1947.79  104.794   60.007   6.3679   63.153   9.0123   56.870   8.9988  1989.13  145.710  1884.96  153.804 104.1707 211.8662 
1 1 1   -2    9   19 f  2232.36  110.103   78.957   7.6963   76.914   10.880   81.003   10.888  2183.48  160.254  2242.74  156.018 -59.26001 223.6580 
1 1 1   -2    9   21 o  393.569  104.423   2.5465   1.3081   3.3742   1.8455   1.7108   1.8544  452.787  125.708  356.963  129.125 95.82407 180.2103 
1 1 1   -2    9   23 o  779.453  139.027   10.088   3.2687   10.088   3.2687   0.0000   0.0000  779.453  139.027  ?   ?  0.000000 139.0267 
1 1 1   -2    9   25 o  2338.45  112.813   87.831   8.2604   79.922   11.670   95.773   11.694  2189.21  171.611  2410.22  155.788 -221.0042 231.7764 
1 1 1   -2    9   27 o  1935.13  105.835   60.302   6.3886   55.360   9.0227   65.271   9.0471  1821.96  159.768  1988.87  146.300 -166.9120 216.6322 
1 1 1   -2    9   29 o  1775.70  103.703   50.954   5.7410   46.320   8.1136   55.600   8.1243  1659.05  158.097  1830.12  142.906 -171.0624 213.1122 
1 1 1   -2    9   31 o  861.853   88.648   12.048   2.3582   10.728   3.0801   13.917   3.6659  798.170  127.533  908.768  132.743 -110.5981 184.0797 
1 1 1   -2    9   33 o  1648.60  103.718   44.519   5.3268   41.531   7.5562   47.470   7.5105  1548.08  158.099  1668.09  145.241 -120.0117 214.6862 
1 1 1   -2    9   35 o  616.382  102.103   6.3465   1.9017   6.1221   2.7093   6.5644   2.6698  588.533  147.353  611.592  142.119 -23.05920 204.7209 
1 1 1   -2    9   37 o  2640.71  123.988  115.913   10.252  110.092   14.513  121.711   14.485  2476.68  188.560  2623.67  177.352 -146.9824 258.8607 
1 1 1   -2    9   39 o  1463.74   86.831   34.729   3.9620   33.149   5.1422   37.036   6.2151  1410.22  117.522  1476.29  135.978 -66.07007 179.7262 
1 1 1   -2    9   41 o  1507.55   86.549   36.994   4.0684   40.249   5.2861   32.265   6.3722  1555.39  109.229  1354.44  152.928 200.9581 187.9308 
1 1 1   -2    9   43 o  969.485   90.731   15.514   2.7223   14.757   3.6610   16.451   4.0714  920.986  130.607  967.486  138.334 -46.50043 190.2486 
1 1 1   -2    9   45 o  2079.75   91.150   71.336   5.9358   71.094   7.5820   71.720   9.5406  2037.07  119.388  1990.01  154.316 47.06091 195.1076 
1 1 1   -2    9   47 o  511.604  110.828   4.6354   1.7241   3.7379   2.3486   5.6841   2.5389  448.817  145.904  547.860  145.533 -99.04239 206.0767 
1 1 1   -2    9   49 o  805.857  146.205   12.806   3.5534   14.577   9.1377   12.490   3.8570  615.156  264.112  774.704  164.103 -159.5479 310.9417 
1 1 1   -2    9   51 o  2228.88  163.439  113.667   11.327  106.467   17.770  118.594   14.701  1165.16  401.633  1922.61  250.114 -757.4497 473.1448 
1 1 1   -2    9   53 o  931.466  168.322   22.594   4.7287   27.264   11.691   21.680   5.1705  462.445  227.768  836.981  200.015 -374.5360 303.1240 
1 1 1   -2    9   55 o  273.480  123.856   1.3130   2.2819  -1.1958   10.185   1.4456   2.3414  ?   ?   277.750  125.655 0.000000 125.6548 
1 1 1   -2    9   57 o  1234.44  212.583   66.018   7.9205   80.659   14.813   60.155   9.3730  ?   ?   672.679  276.663 0.000000 276.6628 
1 1 1   -2    9   59 o  271.518  128.475   3.8009   2.8957   10.624   12.499   3.4139   2.9767  ?   ?   263.421  126.201 0.000000 126.2007 
1 1 1   -2   10    2 o  2652.52   96.927  110.650   8.0505  105.647   9.8570  120.673   13.952  2588.53  121.612  2754.30  162.489 -165.7693 202.9587 
1 1 1   -2   10    4 o  2414.27   93.702   91.647   7.0836   88.216   8.6716   98.528   12.281  2365.82  117.057  2488.58  158.423 -122.7559 196.9779 
1 1 1   -2   10    6 o  2636.46   96.912  109.337   8.0005  107.964   9.8007  112.081   13.851  2616.64  119.618  2651.91  167.669 -35.26880 205.9641 
1 1 1   -2   10    8 o  2244.61   89.925   79.211   6.3203   80.466   7.7534   76.727   10.912  2260.02  109.562  2193.62  159.964 66.39868 193.8871 
1 1 1   -2   10   10 o  2935.54  127.362  136.116   11.707  136.116   11.707   0.0000   0.0000  2935.54  127.362  ?   ?  0.000000 127.3617 
1 1 1   -2   10   12 o  2387.09  164.716   91.061   12.236   91.061   12.236   0.0000   0.0000  2387.09  164.716  ?   ?  0.000000 164.7163 
1 1 1   -2   10   14 o  1596.14   99.812   40.307   4.9635   42.222   7.1466   38.522   6.8987  1625.35  141.843  1551.56  143.628 73.78699 201.8624 
1 1 1   -2   10   16 o  2703.80  119.171  115.735   10.089  120.495   14.371  111.109   14.168  2738.99  168.379  2627.83  173.156 111.1597 241.5254 
1 1 1   -2   10   18 o  3401.96  141.859  184.854   15.111  173.699   21.473  195.799   21.270  3252.31  212.016  3464.71  196.867 -212.3989 289.3226 
1 1 1   -2   10   20 o  537.813   85.922   4.6822   1.3982   4.4552   1.8043   5.0236   2.2124  519.283  114.082  549.721  130.482 -30.43835 173.3214 
1 1 1   -2   10   22 o  1662.57   83.928   43.875   4.3551   40.344   5.3572   50.757   7.4785  1586.77  108.473  1769.57  136.010 -182.7930 173.9686 
1 1 1   -2   10   24 o  2088.97  112.812   70.148   7.3517   70.148   7.3517   0.0000   0.0000  2088.97  112.812  ?   ?  0.000000 112.8120 
1 1 1   -2   10   26 o  2473.48  119.640   98.694   9.2662   98.694   9.2662   0.0000   0.0000  2473.48  119.640  ?   ?  0.000000 119.6396 
1 1 1   -2   10   28 o  1015.72  104.587   16.750   3.2788   16.750   3.2788   0.0000   0.0000  1015.72  104.587  ?   ?  0.000000 104.5870 
1 1 1   -2   10   30 o  1098.15   96.697   19.554   3.2911   17.562   4.6217   21.604   4.6876  1016.39  149.703  1137.34  134.212 -120.9546 201.0568 
1 1 1   -2   10   32 o  734.460  102.314   8.9101   2.2891   9.8815   3.1872   7.8753   3.2897  758.675  139.298  667.296  159.593 91.37921 211.8348 
1 1 1   -2   10   34 o  486.922  105.864   4.0045   1.5681   4.1954   2.1121   3.7699   2.3406  492.864  133.537  469.722  144.788 23.14249 196.9661 
1 1 1   -2   10   36 o  764.781  120.587   9.8339   2.7920   9.8339   2.7920   0.0000   0.0000  764.781  120.587  ?   ?  0.000000 120.5867 
1 1 1   -2   10   38 o  379.866  128.916   2.2856   1.8295   2.2856   1.8295   0.0000   0.0000  379.866  128.916  ?   ?  0.000000 128.9163 
1 1 1   -2   10   40 o  3213.85  107.967  169.960   10.865  173.612   13.469  163.157   18.385  3206.13  134.164  2978.79  198.237 227.3398 239.3694 
1 1 1   -2   10   42 o  321.961  110.151   1.6236   1.3357   0.3832   1.8472   2.9830   1.9338  286.594  120.717  417.577  132.057 -130.9828 178.9182 
1 1 1   -2   10   44 o  836.671   96.193   11.664   2.4742   13.038   3.3447   10.005   3.6770  866.835  126.994  733.902  164.121 132.9331 207.5164 
1 1 1   -2   10   46 f  1012.64   91.011   17.087   2.8550   16.701   3.8451   17.561   4.2621  972.320  129.515  986.438  142.084 -14.11823 192.2553 
1 1 1   -2   10   48 o  1615.77   94.369   44.539   4.7537   44.478   6.2070   44.626   7.3930  1562.24  128.010  1510.13  158.722 52.11548 203.9098 
1 1 1   -2   10   50 o  265.598  111.236   0.7229   1.5540   0.7229   1.5540   0.0000   0.0000  265.598  111.236  ?   ?  0.000000 111.2364 
1 1 1   -2   10   52 o  1158.11  142.906   29.803   5.0723   44.178   10.919   25.846   5.7279  769.865  304.903  962.144  196.761 -192.2796 362.8781 
1 1 1   -2   10   54 o  1758.89  153.962   79.645   8.3941  108.345   15.097   66.803   10.099  935.492  362.020  1166.55  280.027 -231.0550 457.6830 
1 1 1   -2   10   56 o  1072.62  208.319   44.472   6.7445   45.121   13.810   44.269   7.7289  ?   ?   823.974  264.375 0.000000 264.3748 
1 1 1   -2   10   58 o  1054.57  391.948  233.892   17.271  277.223   26.461  201.729   22.797  ?   ?   ?   ?  0.000000      ? 
1 1 1   -2   11    1 o  2506.28  115.691   98.972   9.0792   98.972   9.0792   0.0000   0.0000  2506.28  115.691  ?   ?  0.000000 115.6909 
1 1 1   -2   11    3 o  1176.56   96.731   21.916   3.5321   21.916   3.5321   0.0000   0.0000  1176.56   96.731  ?   ?  0.000000 96.73109 
1 1 1   -2   11    5 o  3125.23  131.312  154.218   12.850  154.218   12.850   0.0000   0.0000  3125.23  131.312  ?   ?  0.000000 131.3124 
1 1 1   -2   11    7 o  1438.36   81.404   32.604   3.6513   31.188   4.4714   35.439   6.3256  1403.93  102.421  1491.22  137.003 -87.28784 171.0554 
1 1 1   -2   11    9 o  1993.43  154.355   63.389   9.5596   63.389   9.5596   0.0000   0.0000  1993.43  154.355  ?   ?  0.000000 154.3545 
1 1 1   -2   11   11 o  1960.73   84.670   60.450   5.1983   61.960   6.3884   57.490   8.9430  1980.33  103.382  1897.31  151.804 83.02698 183.6638 
1 1 1   -2   11   13 o  2595.37  119.179  106.486   9.6853  104.910   13.782  108.023   13.614  2556.96  173.158  2596.50  168.352 -39.54834 241.5082 
1 1 1   -2   11   15 o  2876.37  181.666  133.550   16.278  133.550   16.278   0.0000   0.0000  2876.37  181.666  ?   ?  0.000000 181.6657 
1 1 1   -2   11   17 o  3283.95  139.473  172.226   14.342  157.515   20.370  186.687   20.196  3095.17  211.441  3385.10  191.322 -289.9255 285.1514 
1 1 1   -2   11   19 o  390.713  114.981   2.4717   1.5010   3.1994   2.6299   2.1202   1.8279  458.572  154.571  378.159  128.859 80.41367 201.2387 
1 1 1   -2   11   21 o  832.949  113.428   11.268   2.8815   13.401   5.1615   10.302   3.4731  885.182  191.764  786.763  146.365 98.41888 241.2383 
1 1 1   -2   11   23 o  1813.68  111.978   52.810   6.3282   51.172   9.4533   54.140   8.5184  1754.80  174.353  1818.34  150.978 -63.54504 230.6364 
1 1 1   -2   11   27 o  1474.34   99.592   34.953   4.5707   32.268   6.4153   37.722   6.5137  1393.67  149.334  1513.48  139.000 -119.8107 204.0139 
1 1 1   -2   11   29 o  306.236  120.367   0.9518   1.6896   0.9518   1.6896   0.0000   0.0000  306.236  120.367  ?   ?  0.000000 120.3673 
1 1 1   -2   11   31 o  1092.16   86.727   19.243   2.9415   20.634   3.7790   17.103   4.6856  1121.90  108.947  997.958  154.972 123.9374 189.4354 
1 1 1   -2   11   33 o  1584.24  107.083   40.968   5.2808   40.968   5.2808   0.0000   0.0000  1584.24  107.083  ?   ?  0.000000 107.0831 
1 1 1   -2   11   35 o  1997.62   87.819   64.045   5.4931   66.281   6.9089   60.204   9.0569  2015.65  109.881  1883.84  154.912 131.8124 189.9250 
1 1 1   -2   11   37 o  919.085   88.045   13.690   2.5028   13.320   3.2876   14.200   3.8600  893.560  120.577  914.153  139.251 -20.59283 184.2000 
1 1 1   -2   11   39 o  672.400  151.639   7.9672   3.1166   7.9672   3.1166   0.0000   0.0000  672.400  151.639  ?   ?  0.000000 151.6392 
1 1 1   -2   11   41 o  3242.02  110.504  173.589   11.218  177.691   13.943  166.063   18.888  3233.93  137.696  2988.32  203.060 245.6079 245.3437 
1 1 1   -2   11   43 o  1547.50  114.200   40.149   5.4946   40.149   5.4946   0.0000   0.0000  1547.50  114.200  ?   ?  0.000000 114.2001 
1 1 1   -2   11   45 o  1727.53  122.118   51.133   6.5632   51.133   6.5632   0.0000   0.0000  1727.53  122.118  ?   ?  0.000000 122.1179 
1 1 1   -2   11   47 o  891.073   95.360   13.488   2.6194   9.6385   3.4789   18.528   3.9803  701.920  161.624  1015.94  127.961 -314.0225 206.1461 
1 1 1   -2   11   49 o  331.704  132.303   1.6997   2.0693   1.6997   2.0693   0.0000   0.0000  331.704  132.303  ?   ?  0.000000 132.3035 
1 1 1   -2   11   51 o  1114.78  100.405   23.022   3.4672   25.606   4.5864   19.577   5.2966  1112.02  134.447  844.798  202.798 267.2258 243.3170 
1 1 1   -2   11   53 o  823.334  112.030   13.785   2.8132   13.104   3.7110   14.706   4.3136  697.651  171.164  691.775  192.234 5.875427 257.3933 
1 1 1   -2   11   55 o  ?   ?    2.8619   11.120   2.8619   11.120   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -2   11   57 o  594.930  216.130   21.604   5.2034   7.6639   12.937   24.295   5.6834  ?   ?   592.080  223.850 0.000000 223.8499 
1 1 1   -2   12    2 o  3445.56  112.224  187.038   12.108  181.312   14.821  198.526   20.995  3386.59  139.761  3524.10  190.970 -137.5115 236.6490 
1 1 1   -2   12    4 o  1522.45   80.887   36.512   3.8422   37.343   4.6946   34.828   6.6866  1537.55   98.022  1476.38  146.578 61.17236 176.3333 
1 1 1   -2   12    6 o  1773.11  102.629   49.662   5.6736   49.662   5.6736   0.0000   0.0000  1773.11  102.629  ?   ?  0.000000 102.6293 
1 1 1   -2   12    8 o  1816.24  106.450   52.157   6.0275   52.157   6.0275   0.0000   0.0000  1816.24  106.450  ?   ?  0.000000 106.4498 
1 1 1   -2   12   10 o  975.583   97.431   15.138   2.9365   15.138   2.9365   0.0000   0.0000  975.583   97.431  ?   ?  0.000000 97.43107 
1 1 1   -2   12   12 o  738.529   80.790   8.6815   1.8378   9.9572   2.2863   6.3524   3.0894  789.377   94.371  619.541  158.582 169.8358 184.5373 
1 1 1   -2   12   14 o  1119.63  101.644   19.963   3.5246   17.523   5.1551   22.106   4.8300  1033.73  164.795  1171.73  134.056 -137.9952 212.4344 
1 1 1   -2   12   16 o  1174.93  101.194   22.005   3.6866   20.587   5.4044   23.239   5.0417  1121.67  158.274  1199.12  136.721 -77.45715 209.1488 
1 1 1   -2   12   18 o  677.719  202.255   7.6977   4.6184   7.6977   4.6184   0.0000   0.0000  677.719  202.255  ?   ?  0.000000 202.2554 
1 1 1   -2   12   20 o  2052.76  156.992   68.702   10.014   0.0000   0.0000   68.702   10.014  ?   ?   2052.76  156.992 0.000000 156.9925 
1 1 1   -2   12   22 o  346.099  130.785   1.4295   1.9394   0.0000   0.0000   1.4295   1.9394  ?   ?   346.099  130.785 0.000000 130.7850 
1 1 1   -2   12   24 o  1338.33  143.541   29.386   5.9214   0.0000   0.0000   29.386   5.9214  ?   ?   1338.33  143.541 0.000000 143.5412 
1 1 1   -2   12   26 o  1446.96  146.480   34.578   6.5453   0.0000   0.0000   34.578   6.5453  ?   ?   1446.96  146.480 0.000000 146.4803 
1 1 1   -2   12   28 o  1533.95  105.039   38.053   5.0148   49.375   8.0109   30.757   6.4307  1720.88  150.171  1353.25  154.534 367.6320 215.4814 
1 1 1   -2   12   30 o  1936.37  182.718   64.825   10.948   64.825   10.948   0.0000   0.0000  1936.37  182.718  ?   ?  0.000000 182.7181 
1 1 1   -2   12   32 o  1859.17   87.444   55.342   5.0905   50.943   6.3745   63.085   8.4576  1765.68  115.942  1947.74  139.600 -182.0699 181.4682 
1 1 1   -2   12   34 o  542.970  135.175   5.0403   2.2893   5.0403   2.2893   0.0000   0.0000  542.970  135.175  ?   ?  0.000000 135.1747 
1 1 1   -2   12   36 f  288.414  118.029   0.5674   1.6953   0.5674   1.6953   0.0000   0.0000  288.414  118.029  ?   ?  0.000000 118.0294 
1 1 1   -2   12   38 o  656.640  145.901   7.4920   2.9220   7.4920   2.9220   0.0000   0.0000  656.640  145.901  ?   ?  0.000000 145.9007 
1 1 1   -2   12   40 o  568.438  151.463   5.7149   2.7446   5.7149   2.7446   0.0000   0.0000  568.438  151.463  ?   ?  0.000000 151.4630 
1 1 1   -2   12   42 o  3302.16  105.612  179.287   10.920  189.123   13.606  161.480   18.307  3351.16  129.662  2955.75  198.962 395.4019 237.4825 
1 1 1   -2   12   44 o  3270.16  102.850  176.859   10.532  191.470   13.156  150.789   17.573  3360.00  125.045  2813.12  200.815 546.8716 236.5649 
1 1 1   -2   12   46 o  1128.26  103.868   21.617   3.6283   25.530   4.7285   16.013   5.6582  1204.08  127.348  869.812  210.106 334.2661 245.6869 
1 1 1   -2   12   48 o  245.501  107.571   0.0243   1.5805   0.0243   1.5805   0.0000   0.0000  245.501  107.571  ?   ?  0.000000 107.5708 
1 1 1   -2   12   50 o  1669.80  135.806   56.021   7.0392   56.021   7.0392   0.0000   0.0000  1669.80  135.806  ?   ?  0.000000 135.8062 
1 1 1   -2   12   52 o  893.844  160.929   18.979   4.3385   18.979   4.3385   0.0000   0.0000  893.844  160.929  ?   ?  0.000000 160.9291 
1 1 1   -2   12   54 o  ?   ?   -6.3557   11.228  -6.3557   11.228   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -2   12   56 o  841.336  198.676   25.842   5.1503   25.842   5.1503   0.0000   0.0000  841.336  198.676  ?   ?  0.000000 198.6765 
1 1 1   -2   13    1 o  2318.94   79.928   84.491   5.8037   84.166   8.1889   84.818   8.2267  2310.37  113.195  2319.29  113.280 -8.919922 160.1420 
1 1 1   -2   13    3 o  3324.05  109.880  174.176   11.437  171.164   13.997  180.225   19.839  3289.27  135.897  3353.76  189.690 -64.49097 233.3455 
1 1 1   -2   13    5 o  940.042   80.816   13.990   2.3557   12.770   2.8522   16.609   4.1783  894.376  103.775  1015.95  134.663 -121.5745 170.0098 
1 1 1   -2   13    7 o  4191.37  158.722  279.519   20.831  277.270   29.491  281.757   29.428  4133.33  228.752  4168.27  226.320 -34.93896 321.7888 
1 1 1   -2   13    9 o  2269.21   90.783   81.097   6.4506   72.622   7.8910   98.168   11.199  2139.82  118.230  2481.35  144.767 -341.5315 186.9111 
1 1 1   -2   13   11 o  1368.18  103.975   29.733   4.4211   29.733   4.4211   0.0000   0.0000  1368.18  103.975  ?   ?  0.000000 103.9749 
1 1 1   -2   13   13 o  1920.07  107.073   58.521   6.4118   58.521   6.4118   0.0000   0.0000  1920.07  107.073  ?   ?  0.000000 107.0726 
1 1 1   -2   13   15 o  710.900  212.284   8.4430   5.0867   8.4430   5.0867   0.0000   0.0000  710.900  212.284  ?   ?  0.000000 212.2840 
1 1 1   -2   13   17 o  1364.34   98.328   29.640   4.1725   28.120   5.9045   31.155   5.8971  1315.54  145.791  1388.15  137.478 -72.61316 200.3875 
1 1 1   -2   13   19 o  991.766  139.997   16.093   4.2267   0.0000   0.0000   16.093   4.2267  ?   ?   991.766  139.997 0.000000 139.9973 
1 1 1   -2   13   21 f  1383.71   85.755   30.419   3.6972   29.382   4.6377   32.228   6.1244  1353.36  110.399  1407.57  140.845 -54.20789 178.9567 
1 1 1   -2   13   23 o  1243.21   88.432   24.639   3.4200   24.490   4.3470   24.879   5.5406  1232.24  113.952  1230.52  146.689 1.716797 185.7494 
1 1 1   -2   13   25 o  825.678   91.632   10.979   2.3291   10.657   3.0510   11.429   3.6058  803.866  125.295  826.609  144.575 -22.74261 191.3132 
1 1 1   -2   13   27 o  1130.93   99.320   20.640   3.4815   19.419   4.9106   21.875   4.9367  1076.72  149.700  1148.14  140.232 -71.41504 205.1221 
1 1 1   -2   13   29 o  1896.31  118.707   58.562   7.0131   54.154   10.740   61.840   9.2601  1764.65  197.763  1923.12  155.095 -158.4702 251.3261 
1 1 1   -2   13   31 o  774.067  131.118   10.030   3.0646   17.299   6.3845   7.8543   3.4933  979.583  214.122  671.954  166.804 307.6296 271.4259 
1 1 1   -2   13   33 o  1764.44  115.841   50.601   6.3646   52.731   10.080   49.188   8.2074  1751.88  186.633  1715.45  154.452 36.42322 242.2547 
1 1 1   -2   13   35 o  1478.97  212.035   38.891   9.5384   38.891   9.5384   0.0000   0.0000  1478.97  212.035  ?   ?  0.000000 212.0351 
1 1 1   -2   13   37 o  2530.43  199.904  113.049   15.710  113.049   15.710   0.0000   0.0000  2530.43  199.904  ?   ?  0.000000 199.9036 
1 1 1   -2   13   39 o  980.004  133.984   16.219   4.0038   16.219   4.0038   0.0000   0.0000  980.004  133.984  ?   ?  0.000000 133.9837 
1 1 1   -2   13   41 o  1075.48  119.818   19.329   3.9664   19.329   3.9664   0.0000   0.0000  1075.48  119.818  ?   ?  0.000000 119.8185 
1 1 1   -2   13   43 o  1868.24  116.574   58.299   6.7854   58.299   6.7854   0.0000   0.0000  1868.24  116.574  ?   ?  0.000000 116.5740 
1 1 1   -2   13   45 o  1296.54   95.032   27.935   3.8312   29.874   4.9928   25.157   5.9748  1316.48  122.526  1161.57  169.244 154.9036 208.9403 
1 1 1   -2   13   47 o  1095.69  125.265   21.692   4.2204   21.692   4.2204   0.0000   0.0000  1095.69  125.265  ?   ?  0.000000 125.2647 
1 1 1   -2   13   49 o  433.784  151.022   3.9465   2.5156   3.9465   2.5156   0.0000   0.0000  433.784  151.022  ?   ?  0.000000 151.0220 
1 1 1   -2   13   51 o  983.225  107.592   18.270   3.2584   19.068   4.1523   16.991   5.2567  943.786  145.158  760.431  212.528 183.3555 257.3697 
1 1 1   -2   13   53 o  241.789  109.229   0.1311   1.7620   0.1311   1.7620   0.0000   0.0000  241.789  109.229  ?   ?  0.000000 109.2288 
1 1 1   -2   13   55 o  764.668  205.463   21.102   5.0247   21.102   5.0247   0.0000   0.0000  764.668  205.463  ?   ?  0.000000 205.4634 
1 1 1   -2   13   57 o  244.639  110.049   0.9692   1.7666   0.9692   1.7666   0.0000   0.0000  244.639  110.049  ?   ?  0.000000 110.0491 
1 1 1   -2   14    2 o  2162.51   77.935   73.519   5.2772   72.980   7.4350   74.066   7.4916  2147.25  110.960  2163.20  110.976 -15.95459 156.9323 
1 1 1   -2   14    4 o  4649.10  171.975  345.449   25.035  331.956   35.419  358.921   35.392  4498.59  252.462  4686.81  241.987 -188.2227 349.7065 
1 1 1   -2   14    6 o  315.042  108.030   1.4323   1.2848   1.0317   1.5202   2.4338   2.4039  304.243  115.593  417.601  147.471 -113.3580 187.3747 
1 1 1   -2   14    8 o  586.622  202.416   5.1157   4.5142   5.1157   4.5142   0.0000   0.0000  586.622  202.416  ?   ?  0.000000 202.4158 
1 1 1   -2   14   10 o  1455.88   82.548   33.491   3.7476   32.230   4.6535   35.819   6.3218  1424.03  105.105  1494.28  136.624 -70.25317 172.3747 
1 1 1   -2   14   12 o  262.048  105.186   0.5135   1.3168   1.7980   1.6368  -1.8436   2.2172  353.036  121.881  253.908  117.591 99.12790 169.3594 
1 1 1   -2   14   14 o  1531.30  148.166   37.910   7.0155   0.0000   0.0000   37.910   7.0155  ?   ?   1531.30  148.166 0.000000 148.1659 
1 1 1   -2   14   16 o  269.793  112.378   0.2611   1.5738   0.2611   1.5738   0.0000   0.0000  269.793  112.378  ?   ?  0.000000 112.3780 
1 1 1   -2   14   18 o  1064.95  100.986   18.140   3.3273   18.140   3.3273   0.0000   0.0000  1064.95  100.986  ?   ?  0.000000 100.9861 
1 1 1   -2   14   20 o  2916.65  134.486  136.575   12.282  136.575   12.282   0.0000   0.0000  2916.65  134.486  ?   ?  0.000000 134.4860 
1 1 1   -2   14   22 o  546.311  154.533   4.9872   2.7618   4.9872   2.7618   0.0000   0.0000  546.311  154.533  ?   ?  0.000000 154.5325 
1 1 1   -2   14   24 o  708.345  102.358   8.1664   2.2044   5.2883   2.8197   12.691   3.5354  559.677  155.384  876.857  132.933 -317.1800 204.4884 
1 1 1   -2   14   26 o  1594.36  108.196   40.978   5.3695   50.762   8.3690   34.133   7.0003  1750.36  154.275  1430.61  158.959 319.7524 221.5145 
1 1 1   -2   14   28 o  1068.89  102.988   18.474   3.4043   20.929   4.7994   15.989   4.8295  1124.27  139.317  969.975  164.915 154.2934 215.8848 
1 1 1   -2   14   30 o  2116.51   92.759   71.475   6.1474   73.876   7.7051   67.269   10.197  2137.92  115.528  2008.52  163.555 129.4008 200.2421 
1 1 1   -2   14   32 o  1502.02   91.138   36.101   4.2661   35.751   5.4545   36.652   6.8463  1483.80  118.385  1487.31  149.012 -3.505859 190.3141 
1 1 1   -2   14   34 o  1465.67   89.407   34.398   4.0836   33.612   5.2419   35.612   6.5130  1437.24  117.505  1466.25  143.706 -29.00964 185.6313 
1 1 1   -2   14   36 o  919.596  129.853   14.081   3.6351   23.633   7.6006   11.248   4.1391  1141.70  220.591  803.706  169.793 337.9967 278.3707 
1 1 1   -2   14   38 f  4255.18  161.549  306.459   21.525  337.831   31.040  277.398   29.875  4297.93  231.498  3850.80  249.100 447.1282 340.0618 
1 1 1   -2   14   40 o  1408.78  157.264   34.039   6.8189   0.0000   0.0000   34.039   6.8189  ?   ?   1408.78  157.264 0.000000 157.2643 
1 1 1   -2   14   42 o  1750.64  234.915   59.212   12.552   59.212   12.552   0.0000   0.0000  1750.64  234.915  ?   ?  0.000000 234.9145 
1 1 1   -2   14   44 o  2218.07  126.763   84.074   8.7675   84.074   8.7675   0.0000   0.0000  2218.07  126.763  ?   ?  0.000000 126.7627 
1 1 1   -2   14   46 o  588.646  163.890   6.8534   3.1322   6.8534   3.1322   0.0000   0.0000  588.646  163.890  ?   ?  0.000000 163.8899 
1 1 1   -2   14   48 o  1078.20  154.036   23.218   5.0526   23.218   5.0526   0.0000   0.0000  1078.20  154.036  ?   ?  0.000000 154.0360 
1 1 1   -2   14   50 o  641.871  156.878   9.0518   3.1264   9.0518   3.1264   0.0000   0.0000  641.871  156.878  ?   ?  0.000000 156.8781 
1 1 1   -2   14   52 o  466.769  160.087   5.5587   2.8215   5.5587   2.8215   0.0000   0.0000  466.769  160.087  ?   ?  0.000000 160.0871 
1 1 1   -2   14   54 o  980.826  204.560   30.182   6.0791   30.182   6.0791   0.0000   0.0000  980.826  204.560  ?   ?  0.000000 204.5597 
1 1 1   -2   14   56 o  1134.44  168.438   37.775   5.8016   37.775   5.8016   0.0000   0.0000  1134.44  168.438  ?   ?  0.000000 168.4382 
1 1 1   -2   15    1 o  2797.34   87.598  123.255   7.6728  125.527   10.834  120.969   10.868  2814.79  122.921  2762.48  125.643 52.31274 175.7719 
1 1 1   -2   15    3 o  1312.60   71.496   27.165   2.9275   28.185   4.1978   26.199   4.0847  1332.47  101.370  1284.22  102.431 48.25818 144.1111 
1 1 1   -2   15    5 o  1914.51   86.162   57.739   5.1652   60.273   6.3721   52.884   8.8203  1950.49  104.717  1813.09  156.909 137.3934 188.6429 
1 1 1   -2   15    7 o  1149.19  142.056   21.340   5.0029   21.340   5.0029   0.0000   0.0000  1149.19  142.056  ?   ?  0.000000 142.0558 
1 1 1   -2   15    9 o  1505.61  150.274   36.562   6.9899   0.0000   0.0000   36.562   6.9899  ?   ?   1505.61  150.274 0.000000 150.2743 
1 1 1   -2   15   11 o  1374.56   98.459   30.008   4.2097   24.830   5.8180   35.698   6.0986  1236.45  153.583  1491.91  131.908 -255.4680 202.4532 
1 1 1   -2   15   13 f  503.254  149.360   4.1174   2.5238   6.7621   4.9825   3.2046   2.9271  650.706  212.558  468.824  162.925 181.8817 267.8164 
1 1 1   -2   15   15 o  1016.41   86.399   16.421   2.7237   18.306   3.4112   13.106   4.5239  1070.34  103.057  887.605  168.943 182.7331 197.8951 
1 1 1   -2   15   17 o  634.373  103.905   6.5417   1.9925   7.0567   2.4899   5.6247   3.3223  654.653  126.041  583.313  170.897 71.33966 212.3488 
1 1 1   -2   15   19 o  860.978   93.969   11.877   2.4922   12.398   3.1005   10.925   4.1894  874.812  116.052  805.602  171.348 69.20972 206.9495 
1 1 1   -2   15   21 o  249.055  125.216 -12.9972   4.3789 -12.9972   4.3789   0.0000   0.0000  249.055  125.216  ?   ?  0.000000 125.2164 
1 1 1   -2   15   23 o  2014.05  117.120   65.258   7.3542   65.258   7.3542   0.0000   0.0000  2014.05  117.120  ?   ?  0.000000 117.1197 
1 1 1   -2   15   25 o  683.027  238.816   7.6582   6.2937   7.6582   6.2937   0.0000   0.0000  683.027  238.816  ?   ?  0.000000 238.8163 
1 1 1   -2   15   27 o  334.149  162.027  -8.1343   5.2723  -8.1343   5.2723   0.0000   0.0000  334.149  162.027  ?   ?  0.000000 162.0275 
1 1 1   -2   15   29 o  1002.77  108.017   16.263   3.3381   16.317   4.6689   16.206   4.7744  988.001  156.104  982.800  160.702 5.200867 224.0390 
1 1 1   -2   15   31 o  1057.49  130.476   18.330   4.2288   18.330   4.2288   0.0000   0.0000  1057.49  130.476  ?   ?  0.000000 130.4762 
1 1 1   -2   15   33 o  4632.23  139.180  349.809   20.188  352.259   24.834  345.035   34.663  4599.95  172.415  4400.40  252.626 199.5493 305.8546 
1 1 1   -2   15   35 o  774.232  104.732   9.7931   2.4739   11.572   3.2612   7.3814   3.7967  834.551  128.954  650.659  180.184 183.8923 221.5749 
1 1 1   -2   15   37 o  3281.87  113.205  174.518   11.633  180.226   14.424  163.897   19.677  3306.52  139.316  3057.66  206.734 248.8606 249.2952 
1 1 1   -2   15   39 o  1452.73   94.272   34.063   4.2651   31.334   5.5300   38.071   6.7009  1374.65  130.019  1507.26  143.721 -132.6068 193.8056 
1 1 1   -2   15   41 o  1425.14  126.667   33.868   5.5936   41.345   10.765   31.103   6.5467  1467.37  242.785  1342.50  158.814 124.8767 290.1148 
1 1 1   -2   15   43 o  603.024  174.645   6.7603   3.4876   0.0000   9.5017   7.8128   3.7492  539.091  247.404  645.289  179.183 -106.1980 305.4755 
1 1 1   -2   15   45 o  1194.62  133.085   25.356   4.8936   54.525   10.790   17.802   5.4908  1607.84  220.102  940.495  192.921 667.3440 292.6830 
1 1 1   -2   15   47 f  565.819  194.011   7.2742   4.1439   0.0000   0.0000   7.2742   4.1439  ?   ?   565.819  194.011 0.000000 194.0109 
1 1 1   -2   15   49 o  1164.15  112.350   24.799   4.0446   19.270   5.4125   31.790   6.0863  901.053  197.305  1230.84  161.842 -329.7914 255.1902 
1 1 1   -2   15   51 o  324.309  138.283   1.5443   2.4740   1.5443   2.4740   0.0000   0.0000  324.309  138.283  ?   ?  0.000000 138.2827 
1 1 1   -2   15   53 f  624.961  172.845   10.411   3.4961   10.411   3.4961   0.0000   0.0000  624.961  172.845  ?   ?  0.000000 172.8448 
1 1 1   -2   15   55 o  314.577  134.340   2.2776   2.3415   2.2776   2.3415   0.0000   0.0000  314.577  134.340  ?   ?  0.000000 134.3402 
1 1 1   -2   16    2 o  1332.09   87.360   28.074   3.6237   24.939   6.4110   29.546   4.3927  1236.74  170.051  1363.88  103.634 -127.1416 199.1414 
1 1 1   -2   16    4 o  262.838  110.358   0.1569   1.5358   0.6277   2.9981  -0.0106   1.7883  375.493  155.645  275.858  117.594 99.63544 195.0736 
1 1 1   -2   16    6 o  997.709  145.330   16.177   4.4069   16.177   4.4069   0.0000   0.0000  997.709  145.330  ?   ?  0.000000 145.3304 
1 1 1   -2   16    8 o  1549.62  100.147   38.081   4.8334   38.081   4.8334   0.0000   0.0000  1549.62  100.147  ?   ?  0.000000 100.1473 
1 1 1   -2   16   10 o  1082.57   83.678   18.574   2.8145   17.043   3.5279   21.255   4.6678  1031.79  110.939  1148.81  132.171 -117.0208 172.5590 
1 1 1   -2   16   12 o  416.905  123.443   2.8026   1.7254   3.3259   2.1106   1.7483   2.9959  454.634  136.967  413.208  160.887 41.42636 211.2928 
1 1 1   -2   16   14 o  430.746  150.359   2.6721   2.4943   11.069   4.7567  -0.5124   2.9294  810.101  190.686  336.824  147.046 473.2769 240.7979 
1 1 1   -2   16   16 o  1784.37  112.008   50.758   6.2265   50.758   6.2265   0.0000   0.0000  1784.37  112.008  ?   ?  0.000000 112.0078 
1 1 1   -2   16   18 o  1152.02   92.040   21.136   3.2924   20.649   4.0657   22.062   5.6116  1132.92  116.257  1158.59  158.865 -25.66980 196.8603 
1 1 1   -2   16   20 o  496.084  123.148   4.0912   1.9040   3.3963   2.2696   5.7427   3.4987  459.218  142.742  587.776  176.178 -128.5579 226.7468 
1 1 1   -2   16   22 o  1061.17  132.488   18.381   4.3064   12.465   7.1911   21.690   5.3772  840.410  252.734  1146.47  153.652 -306.0640 295.7759 
1 1 1   -2   16   24 o  1388.23  118.198   31.078   5.0890   33.510   8.0672   29.470   6.5587  1412.54  186.989  1335.63  160.010 76.90930 246.1055 
1 1 1   -2   16   26 o  3548.45  145.382  203.920   16.154  210.776   23.299  197.574   22.415  3537.87  211.286  3426.50  209.932 111.3630 297.8478 
1 1 1   -2   16   28 o  1135.84  231.624   22.576   7.9587   22.576   7.9587   0.0000   0.0000  1135.84  231.624  ?   ?  0.000000 231.6238 
1 1 1   -2   16   30 o  1772.50  157.788   51.619   8.6658   51.619   8.6658   0.0000   0.0000  1772.50  157.788  ?   ?  0.000000 157.7881 
1 1 1   -2   16   32 o  567.834  237.155   2.3289   7.0357   2.3289   7.0357   0.0000   0.0000  567.834  237.155  ?   ?  0.000000 237.1549 
1 1 1   -2   16   34 o  484.492  168.568   3.6012   3.1338   13.950   7.3256   1.2832   3.4671  871.768  253.297  412.446  168.788 459.3214 304.3829 
1 1 1   -2   16   36 o  1420.35   95.843   32.411   4.2376   30.893   5.4149   34.812   6.8071  1373.23  127.379  1444.84  152.779 -71.60791 198.9147 
1 1 1   -2   16   38 o  893.037  138.899   13.383   3.7578   13.383   3.7578   0.0000   0.0000  893.037  138.899  ?   ?  0.000000 138.8986 
1 1 1   -2   16   40 o  1763.83   95.166   50.265   5.2365   51.602   6.6686   48.114   8.4572  1770.52  121.012  1676.53  163.170 93.99536 203.1460 
1 1 1   -2   16   42 o  907.155  166.341   14.752   4.5508   14.752   4.5508   0.0000   0.0000  907.155  166.341  ?   ?  0.000000 166.3409 
1 1 1   -2   16   44 o  759.094  127.501   10.132   2.9231   6.4344   3.8872   14.945   4.4346  572.711  187.780  895.672  164.169 -322.9604 249.4246 
1 1 1   -2   16   46 o  925.779  189.719   17.811   5.3148   0.0000   0.0000   17.811   5.3148  ?   ?   925.779  189.719 0.000000 189.7191 
1 1 1   -2   16   48 o  1085.83  153.431   23.423   5.0713   56.037   11.836   16.089   5.6126  1381.80  283.073  804.160  217.605 577.6440 357.0469 
1 1 1   -2   16   50 o  851.036  193.675   17.590   5.0450   13.144   12.291   18.490   5.5325  508.253  246.666  841.432  210.508 -333.1783 324.2803 
1 1 1   -2   16   52 o  516.973  252.316   26.287   13.370   26.287   13.370   0.0000   0.0000  516.973  252.316  ?   ?  0.000000 252.3161 
1 1 1   -2   16   54 o  437.835  163.969   5.6109   3.0339   5.6109   3.0339   0.0000   0.0000  437.835  163.969  ?   ?  0.000000 163.9685 
1 1 1   -2   17    1 o  1405.42  106.543   31.378   4.6538   0.0000   0.0000   31.378   4.6538  ?   ?   1405.42  106.543 0.000000 106.5428 
1 1 1   -2   17    3 o  1386.41   89.622   30.411   3.8698   34.841   7.2352   28.636   4.5800  1468.62  159.920  1341.55  109.997 127.0641 194.0971 
1 1 1   -2   17    5 o  670.861  210.240   7.2745   4.9121   7.2745   4.9121   0.0000   0.0000  670.861  210.240  ?   ?  0.000000 210.2395 
1 1 1   -2   17    7 o  946.606   99.951   14.301   2.9178   15.453   3.7637   12.565   4.6193  979.289  125.636  869.866  175.645 109.4232 215.9526 
1 1 1   -2   17    9 o  662.444  121.113   7.1701   2.4196   7.0867   3.2170   7.2788   3.6717  652.802  158.881  661.135  174.726 -8.333557 236.1614 
1 1 1   -2   17   11 o  666.808  136.570   7.3323   2.7556   7.3323   2.7556   0.0000   0.0000  666.808  136.570  ?   ?  0.000000 136.5697 
1 1 1   -2   17   13 f  746.797  102.366   8.9840   2.3307   6.0303   2.9018   14.354   3.9125  602.019  153.473  939.240  137.072 -337.2209 205.7739 
1 1 1   -2   17   15 o  402.184  150.403   1.9943   2.5509  -5.5256   5.2189   4.3548   2.9240  367.750  173.541  520.328  162.067 -152.5769 237.4489 
1 1 1   -2   17   17 o  638.474  116.160   6.6822   2.2367   6.0892   2.6692   8.0806   4.0988  604.194  143.263  691.604  185.461 -87.40997 234.3506 
1 1 1   -2   17   19 o  814.757  108.253   10.733   2.6934   10.103   3.2666   12.069   4.7601  782.529  138.376  843.614  185.271 -61.08466 231.2424 
1 1 1   -2   17   21 o  385.608  128.202   2.2684   1.8096   2.0715   2.0916   2.8544   3.6081  385.357  137.402  475.093  178.638 -89.73651 225.3687 
1 1 1   -2   17   23 o  1458.41  119.626   34.172   5.4148   39.959   8.6840   30.491   6.9261  1553.31  181.993  1360.97  165.963 192.3450 246.3032 
1 1 1   -2   17   25 f  999.778  136.177   16.311   4.1522   20.909   7.1687   13.990   5.0936  1105.65  214.806  909.688  185.116 195.9653 283.5657 
1 1 1   -2   17   27 o  2268.49  168.504   84.145   11.884   0.0000   0.0000   84.145   11.884  ?   ?   2268.49  168.504 0.000000 168.5043 
1 1 1   -2   17   29 o  436.601  146.532   2.9194   2.3633   1.2015   3.0783   5.3855   3.6883  395.205  160.052  574.487  182.452 -179.2816 242.7043 
1 1 1   -2   17   31 o  867.238  154.918   12.572   4.0525   17.633   7.8306   10.721   4.7360  991.651  251.741  788.378  193.328 203.2724 317.4102 
1 1 1   -2   17   33 o  1571.92  120.169   39.941   5.8700   39.941   5.8700   0.0000   0.0000  1571.92  120.169  ?   ?  0.000000 120.1688 
1 1 1   -2   17   35 o  2463.55  174.475  101.406   13.372  101.406   13.372   0.0000   0.0000  2463.55  174.475  ?   ?  0.000000 174.4752 
1 1 1   -2   17   37 o  2254.94  169.866   85.344   11.906   85.344   11.906   0.0000   0.0000  2254.94  169.866  ?   ?  0.000000 169.8657 
1 1 1   -2   17   39 o  1745.30  109.906   49.527   5.9757   43.204   8.2782   56.407   8.6349  1590.28  168.824  1833.03  151.808 -242.7422 227.0406 
1 1 1   -2   17   41 o  762.548  134.697   9.9874   3.0986   7.1223   4.1054   13.780   4.7234  622.563  191.729  872.505  178.897 -249.9423 262.2296 
1 1 1   -2   17   43 o  850.865  123.598   12.492   3.1967   10.317   4.0731   15.981   5.1583  736.064  178.550  914.942  186.380 -178.8784 258.1041 
1 1 1   -2   17   45 o  460.261  154.388   3.9279   2.6235   5.1241   3.2552   1.7104   4.4319  512.798  171.972  421.882  182.542 90.91568 250.7905 
1 1 1   -2   17   47 o  1309.39  108.146   30.013   4.3944   27.222   5.6580   34.255   6.9760  1182.35  156.688  1294.65  176.698 -112.2959 236.1635 
1 1 1   -2   17   49 o  435.948  153.905   3.9182   2.6180   5.5190   3.2194   0.7926   4.4986  496.764  170.966  374.353  171.223 122.4113 241.9645 
1 1 1   -2   17   51 o  857.400  216.598   20.275   5.8170   8.2031   14.073   22.763   6.3883  458.126  229.536  885.283  228.798 -427.1567 324.0914 
1 1 1   -2   17   53 o  ?   ?    3.1702   13.652   3.1702   13.652   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -2   18    2 o  635.242  106.837   6.5454   2.0497   6.0496   3.1512   6.9089   2.6985  604.907  162.783  647.520  137.350 -42.61328 212.9870 
1 1 1   -2   18    4 o  722.770  133.607   8.5517   2.9124   11.030   3.4215   2.0339   5.5491  822.357  137.744  527.451  214.429 294.9060 254.8590 
1 1 1   -2   18    6 o  567.413  159.154   5.2943   2.9424   5.9551   5.2055   4.9841   3.5669  629.753  217.359  561.510  179.539 68.24249 281.9212 
1 1 1   -2   18    8 o  1229.34  117.535   24.161   4.4692   31.616   6.9943   19.016   5.8100  1395.89  163.096  1073.72  179.118 322.1636 242.2474 
1 1 1   -2   18   10 o  636.080  159.073   6.7353   3.1601   11.492   5.5403   4.4416   3.8472  823.928  213.138  544.701  186.928 279.2277 283.4960 
1 1 1   -2   18   12 o  1766.15  112.681   49.659   6.1990   55.655   9.2875   44.842   8.3249  1854.51  161.552  1663.13  161.911 191.3751 228.7224 
1 1 1   -2   18   14 o  1242.85   95.459   24.562   3.6866   27.255   4.7121   20.313   5.9192  1304.87  116.553  1108.18  176.504 196.6970 211.5146 
1 1 1   -2   18   16 o  1016.04   99.976   16.498   3.1395   17.036   3.8455   15.422   5.4369  1027.68  121.878  958.488  187.870 69.18994 223.9405 
1 1 1   -2   18   18 o  1391.80  111.055   30.948   4.7996   30.948   4.7996   0.0000   0.0000  1391.80  111.055  ?   ?  0.000000 111.0551 
1 1 1   -2   18   20 o  167.871   81.959  -2.6326   1.4139  -2.2363   1.5466  -4.6498   3.4892  188.503   90.483  287.136  137.315 -98.63295 164.4464 
1 1 1   -2   18   22 o  805.756  112.306   10.498   2.7565   10.248   3.3397   11.034   4.8823  789.279  140.270  806.946  195.322 -17.66718 240.4710 
1 1 1   -2   18   24 o  1368.33  122.850   30.046   5.2075   38.104   8.2954   24.805   6.6900  1523.83  177.160  1224.75  179.798 299.0789 252.4144 
1 1 1   -2   18   26 o  1850.98  123.230   54.850   7.1014   54.096   10.963   55.396   9.3211  1807.88  196.849  1845.17  163.007 -37.29456 255.5793 
1 1 1   -2   18   28 o  1181.63  102.401   22.322   3.7513   23.157   4.7475   20.935   6.1207  1196.67  128.725  1120.06  180.666 76.60645 221.8341 
1 1 1   -2   18   30 o  1661.15  127.007   44.469   6.5562   40.921   10.286   46.896   8.5082  1551.49  217.734  1691.11  162.683 -139.6173 271.7975 
1 1 1   -2   18   32 o  2809.65  104.027  125.773   9.1520  128.791   11.353  120.175   15.465  2830.50  128.100  2691.45  184.621 139.0542 224.7097 
1 1 1   -2   18   34 o  1899.01  115.076   57.994   6.8104   58.833   9.5058   57.109   9.7620  1888.49  162.330  1856.01  169.858 32.48511 234.9528 
1 1 1   -2   18   36 o  2663.69  124.697  114.654   10.401  102.892   14.620  126.704   14.799  2466.78  190.763  2757.11  172.279 -290.3318 257.0418 
1 1 1   -2   18   38 o  2943.56  195.099  149.594   17.880  149.594   17.880   0.0000   0.0000  2943.56  195.099  ?   ?  0.000000 195.0993 
1 1 1   -2   18   40 o  2183.51  129.381   79.427   8.8065   79.427   8.8065   0.0000   0.0000  2183.51  129.381  ?   ?  0.000000 129.3806 
1 1 1   -2   18   42 o  1500.96  146.288   39.312   6.7880   39.312   6.7880   0.0000   0.0000  1500.96  146.288  ?   ?  0.000000 146.2883 
1 1 1   -2   18   44 f  291.215  135.863  -1.9819   3.0453  -1.9819   3.0453   0.0000   0.0000  291.215  135.863  ?   ?  0.000000 135.8627 
1 1 1   -2   18   46 o  1062.16  119.785   19.940   3.9143   20.677   5.0519   18.832   6.1918  1037.77  160.657  917.052  218.701 120.7203 271.3688 
1 1 1   -2   18   48 o  434.503  159.336   3.6905   2.8376   3.4162   3.4943   4.2216   4.8623  429.335  171.695  464.265  195.720 -34.93024 260.3568 
1 1 1   -2   18   50 o  498.384  202.058   6.5935   4.9119  -8.6483   13.719   8.8347   5.2607  418.232  211.560  553.001  213.785 -134.7686 300.7683 
1 1 1   -2   18   52 o  789.614  150.014   13.503   3.5734   13.458   4.4664   13.584   5.9568  709.443  195.014  606.555  229.208 102.8887 300.9433 
1 1 1   -2   19    1 o  1390.52   85.503   30.569   3.7048   30.289   5.1034   30.882   5.3868  1377.74  119.481  1390.01  125.106 -12.26892 172.9945 
1 1 1   -2   19    3 o  398.662  158.049   1.4070   2.9366   1.4070   2.9366   0.0000   0.0000  398.662  158.049  ?   ?  0.000000 158.0491 
1 1 1   -2   19    5 o  1199.37   95.026   22.834   3.5395   25.516   4.4813   18.386   5.7711  1264.55  114.415  1055.27  181.179 209.2799 214.2813 
1 1 1   -2   19    7 o  1768.43   91.670   49.455   5.0587   56.679   6.3293   36.678   8.4172  1890.14  107.385  1498.47  183.207 391.6647 212.3593 
1 1 1   -2   19    9 o  349.518  139.342   1.0149   2.2943   0.9901   3.0819   1.0458   3.4362  391.332  159.527  410.878  168.079 -19.54675 231.7309 
1 1 1   -2   19   11 o  695.888  160.915   8.0639   3.4364   5.3745   5.7543   9.5547   4.2842  622.750  227.123  754.875  183.123 -132.1252 291.7511 
1 1 1   -2   19   13 o  890.430  140.967   12.939   3.7995   21.211   6.2301   8.0406   4.7943  1133.45  181.675  696.150  205.675 437.3008 274.4231 
1 1 1   -2   19   15 o  1088.85  131.982   19.131   4.4079   27.136   6.9054   13.626   5.7263  1286.82  175.991  897.706  207.819 389.1187 272.3263 
1 1 1   -2   19   17 f  2053.69  120.851   67.162   7.7372   67.162   7.7372   0.0000   0.0000  2053.69  120.851  ?   ?  0.000000 120.8514 
1 1 1   -2   19   19 o  905.532  116.094   13.202   3.2160   16.111   4.0776   8.4150   5.2310  997.716  133.901  713.533  215.774 284.1828 253.9447 
1 1 1   -2   19   21 o  503.032  141.461   4.1481   2.3214   3.9599   2.7409   4.6255   4.3662  499.383  157.136  564.333  198.805 -64.95041 253.4074 
1 1 1   -2   19   23 o  1705.98   96.233   46.122   5.1196   43.745   6.3586   50.504   8.6324  1654.76  123.611  1768.10  157.573 -113.3398 200.2722 
1 1 1   -2   19   25 o  243.973  115.635  -2.8113   2.3650  -3.8684   2.9833  -1.0232   3.8800  267.969  127.821  378.104  167.003 -110.1350 210.3053 
1 1 1   -2   19   27 o  401.524  169.510   0.4046   3.6555   0.4103   7.4018   0.4028   4.2040  553.866  237.748  427.879  181.271 125.9872 298.9704 
1 1 1   -2   19   29 o  1601.16  114.317   41.011   5.6937   42.391   7.8643   39.492   8.2542  1612.84  157.742  1550.08  173.013 62.75867 234.1282 
1 1 1   -2   19   31 o  1872.20  115.243   56.104   6.7231   51.663   9.4009   60.753   9.6186  1772.92  171.484  1929.10  160.698 -156.1830 235.0120 
1 1 1   -2   19   33 f  1895.05  170.033   59.159   9.9822   0.0000   0.0000   59.159   9.9822  ?   ?   1895.05  170.033 0.000000 170.0333 
1 1 1   -2   19   35 o  2347.00  131.260   89.244   9.6077   91.927   14.627   87.208   12.741  2329.34  202.565  2287.12  179.354 42.22681 270.5553 
1 1 1   -2   19   37 o  875.197  189.085   13.435   5.0304   17.820   9.8106   11.870   5.8593  953.467  296.842  808.802  223.790 144.6649 371.7490 
1 1 1   -2   19   39 o  409.352  177.172   0.3013   4.1774   0.7718   9.2787   0.1817   4.6784  573.644  255.546  426.967  186.129 146.6766 316.1457 
1 1 1   -2   19   41 o  278.611  128.199  -1.5307   2.5742  -2.3311   3.1467   0.0890   4.4760  296.307  138.194  408.708  180.003 -112.4007 226.9332 
1 1 1   -2   19   43 o  348.381  153.648  -0.0448   3.2724  -0.0448   3.2724   0.0000   0.0000  348.381  153.648  ?   ?  0.000000 153.6479 
1 1 1   -2   19   45 o  370.330  160.579   0.8035   3.4443   0.8035   3.4443   0.0000   0.0000  370.330  160.579  ?   ?  0.000000 160.5786 
1 1 1   -2   19   47 o  649.930  197.644   9.3921   4.3799   9.3921   4.3799   0.0000   0.0000  649.930  197.644  ?   ?  0.000000 197.6444 
1 1 1   -2   19   49 o  732.266  224.874   14.117   5.6521   30.763   13.239   10.407   6.2503  746.103  319.051  597.687  232.478 148.4155 394.7650 
1 1 1   -2   20    2 o  1133.82  128.947   20.636   4.4965   20.636   4.4965   0.0000   0.0000  1133.82  128.947  ?   ?  0.000000 128.9468 
1 1 1   -2   20    4 o  478.443  162.401   3.4043   2.9033   2.3900   3.3602   6.3918   5.7667  453.465  171.958  656.334  228.650 -202.8693 286.0945 
1 1 1   -2   20    6 o  1616.77  119.675   41.597   6.0155   40.245   8.8739   42.746   8.1826  1573.09  183.609  1628.16  162.678 -55.07642 245.3085 
1 1 1   -2   20    8 o  1032.22  107.120   17.006   3.4119   18.118   4.3053   15.129   5.5942  1060.64  132.525  953.023  194.057 107.6202 234.9915 
1 1 1   -2   20   10 o  1055.40  134.474   17.955   4.3430   19.500   7.0524   17.011   5.5122  1079.11  216.248  1015.70  179.902 63.41150 281.2973 
1 1 1   -2   20   12 o  701.773  145.029   8.1136   3.0815   5.2030   4.5134   10.655   4.2176  590.173  202.469  801.056  173.190 -210.8831 266.4369 
1 1 1   -2   20   14 o  700.674  140.052   8.0674   2.9653   10.979   3.7219   3.0065   4.9066  818.068  150.854  531.142  206.149 286.9264 255.4489 
1 1 1   -2   20   16 o  869.563  163.790   12.453   4.2961   14.101   6.8089   11.362   5.5375  913.007  236.332  822.622  213.221 90.38519 318.3019 
1 1 1   -2   20   18 o  447.379  175.602   1.9382   3.5915  -5.6649   6.0526   6.0701   4.4619  407.318  190.527  620.675  201.054 -213.3569 276.9898 
1 1 1   -2   20   20 o  2010.16  122.653   64.260   7.6832   68.560   11.471   60.762   10.347  2058.71  179.745  1939.87  172.135 118.8417 248.8750 
1 1 1   -2   20   22 o  1299.69  105.737   26.873   4.2658   29.144   5.3919   23.073   6.9745  1348.75  129.255  1180.49  195.527 168.2551 234.3879 
1 1 1   -2   20   24 o  1893.66   99.391   56.818   5.8728   59.801   7.3955   51.725   9.6629  1936.97  122.566  1784.12  175.228 152.8501 213.8400 
1 1 1   -2   20   26 o  1255.14  123.660   25.283   4.7969   24.247   6.6956   26.375   6.8756  1211.93  182.068  1266.20  178.359 -54.27942 254.8737 
1 1 1   -2   20   28 o  1792.32  167.374   52.275   9.2846   52.275   9.2846   0.0000   0.0000  1792.32  167.374  ?   ?  0.000000 167.3738 
1 1 1   -2   20   30 o  1812.96  101.474   52.259   5.7374   59.497   7.2251   39.906   9.4396  1928.99  120.216  1548.77  199.270 380.2286 232.7235 
1 1 1   -2   20   32 o  757.927  226.504   9.8199   5.7893   0.0000   0.0000   9.8199   5.7893  ?   ?   757.927  226.504 0.000000 226.5039 
1 1 1   -2   20   34 o  1269.35  118.261   26.030   4.6463   27.254   5.8966   24.024   7.5464  1287.81  148.978  1180.39  211.961 107.4221 259.0792 
1 1 1   -2   20   36 o  505.072  175.604   3.9730   3.4006   4.4634   4.4328   3.2717   5.3011  546.312  199.329  533.553  212.090 12.75848 291.0576 
1 1 1   -2   20   38 f  1225.86  162.642   25.762   6.0888   23.400   11.053   26.791   7.2957  1048.85  312.857  1227.34  196.465 -178.4918 369.4296 
1 1 1   -2   20   40 o  921.345  144.695   14.659   4.0368   10.267   5.1344   21.770   6.5328  732.715  211.818  1085.38  199.573 -352.6685 291.0264 
1 1 1   -2   20   42 o  1408.74  144.782   34.598   6.2957   34.598   6.2957   0.0000   0.0000  1408.74  144.782  ?   ?  0.000000 144.7823 
1 1 1   -2   20   44 o  965.888  138.798   16.575   4.0772   14.836   5.1265   19.568   6.7261  865.628  193.945  960.498  227.199 -94.86975 298.7203 
1 1 1   -2   20   46 o  1067.71  202.852   23.717   6.5339   53.958   13.445   14.366   7.4762  1393.81  315.417  739.364  260.181 654.4492 408.8790 
1 1 1   -2   20   48 o  521.982  254.029   3.1867   13.278   3.1867   13.278   0.0000   0.0000  521.982  254.029  ?   ?  0.000000 254.0285 
1 1 1   -2   21    1 o  1156.09   99.268   21.203   3.5587   27.190   4.8166   14.007   5.2807  1306.94  119.003  919.735  189.663 387.2012 223.9052 
1 1 1   -2   21    3 o  737.660  131.679   8.8614   2.9299   9.7669   3.8921   7.6771   4.4510  769.003  166.465  684.190  197.052 84.81360 257.9535 
1 1 1   -2   21    5 o  1646.81  100.724   42.879   5.1689   47.896   6.2083   31.543   9.3319  1738.42  114.696  1382.70  223.136 355.7181 250.8880 
1 1 1   -2   21    7 o  1528.70  186.640   37.875   8.7485   37.875   8.7485   0.0000   0.0000  1528.70  186.640  ?   ?  0.000000 186.6403 
1 1 1   -2   21    9 o  464.610  203.511  -1.1243   5.6529  -1.1243   5.6529   0.0000   0.0000  464.610  203.511  ?   ?  0.000000 203.5112 
1 1 1   -2   21   11 o  836.906  128.750   11.326   3.2658   12.990   4.0809   8.3627   5.4464  892.816  151.382  718.768  220.748 174.0480 267.6682 
1 1 1   -2   21   13 o  1146.52  109.998   20.921   3.9005   23.659   4.7975   15.582   6.6993  1216.64  127.845  963.960  225.894 252.6799 259.5617 
1 1 1   -2   21   15 o  665.593  152.763   7.3145   3.1164   5.8645   3.9057   9.8552   5.1700  605.388  187.101  769.909  209.063 -164.5210 280.5605 
1 1 1   -2   21   17 o  566.339  163.837   5.2223   3.0708   8.9232   3.7841  -1.9154   5.2552  733.815  168.272  430.860  192.101 302.9550 255.3784 
1 1 1   -2   21   19 o  550.779  190.547   4.4422   4.0016   8.3444   6.5700   2.1409   5.0454  731.144  244.321  512.625  205.849 218.5193 319.4785 
1 1 1   -2   21   21 o  506.842  203.466   2.1148   4.9277   0.0000   0.0000   2.1148   4.9277  ?   ?   506.842  203.466 0.000000 203.4663 
1 1 1   -2   21   23 o  1481.61  176.837   35.716   8.0419   0.0000   0.0000   35.716   8.0419  ?   ?   1481.61  176.837 0.000000 176.8369 
1 1 1   -2   21   27 o  2206.92  130.834   77.767   9.0008   77.767   9.0008   0.0000   0.0000  2206.92  130.834  ?   ?  0.000000 130.8337 
1 1 1   -2   21   29 o  430.389  184.444   0.0212   4.4418   0.0212   4.4418   0.0000   0.0000  430.389  184.444  ?   ?  0.000000 184.4444 
1 1 1   -2   21   31 o  1811.41  103.777   52.230   5.8617   54.464   7.3235   48.248   9.7782  1842.17  127.750  1710.12  185.585 132.0490 225.3035 
1 1 1   -2   21   33 o  1645.48  123.856   43.657   6.3348   44.447   8.8867   42.842   9.0325  1636.71  176.176  1602.99  183.246 33.72607 254.1988 
1 1 1   -2   21   35 o  797.069  206.567   11.243   5.1977   5.4275   9.3626   13.834   6.2492  679.081  277.576  877.045  226.111 -197.9644 358.0152 
1 1 1   -2   21   37 o  1316.51  116.720   28.370   4.7617   30.581   6.1074   24.944   7.6041  1350.70  146.765  1176.22  214.361 174.4868 259.7895 
1 1 1   -2   21   39 o  297.514  139.260  -2.7133   3.2430  -4.8696   4.1169   0.8127   5.2645  310.737  148.749  460.104  199.016 -149.3672 248.4625 
1 1 1   -2   21   41 o  406.101  178.130   0.1769   4.3441   0.1769   4.3441   0.0000   0.0000  406.101  178.130  ?   ?  0.000000 178.1302 
1 1 1   -2   21   43 o  661.457  180.825   8.3530   3.8525   4.5891   4.7894   15.252   6.4842  523.270  203.511  848.764  235.627 -325.4940 311.3471 
1 1 1   -2   21   45 f  341.454  153.825  -0.5599   3.4664  -1.3873   4.2274   1.1381   6.0557  357.295  164.360  459.023  205.322 -101.7286 263.0042 
1 1 1   -2   21   47 o  678.448  238.799   11.496   6.2982   10.351   13.544   11.812   7.1143  608.640  284.796  669.731  251.034 -61.09070 379.6402 
1 1 1   -2   22    2 o  1532.22  103.530   37.116   4.9380   36.777   5.8371   37.970   9.2603  1522.04  123.544  1530.69  197.835 -8.650146 233.2421 
1 1 1   -2   22    4 o  840.883  153.954   11.541   3.9042   11.096   6.5350   11.788   4.8686  821.635  239.385  844.120  188.913 -22.48499 304.9480 
1 1 1   -2   22    6 o  490.903  166.029   3.5636   3.0343   4.4504   3.6090   1.4250   5.6045  543.240  181.072  518.656  213.697 24.58405 280.0956 
1 1 1   -2   22    8 o  714.544  187.327   8.4313   4.2425   3.9570   6.4612   11.822   5.6250  610.548  236.676  843.214  212.983 -232.6651 318.3981 
1 1 1   -2   22   10 o  1516.90  123.556   36.546   5.8177   36.546   5.8177   0.0000   0.0000  1516.90  123.556  ?   ?  0.000000 123.5560 
1 1 1   -2   22   12 o  256.739  124.186  -4.9531   3.0516  -4.9531   3.0516   0.0000   0.0000  256.739  124.186  ?   ?  0.000000 124.1856 
1 1 1   -2   22   14 o  1155.80  143.161   21.467   5.0703   21.467   5.0703   0.0000   0.0000  1155.80  143.161  ?   ?  0.000000 143.1613 
1 1 1   -2   22   16 o  797.163  172.020   10.501   4.1678   10.085   5.4847   11.070   6.4116  779.894  216.778  817.834  236.782 -37.93939 321.0267 
1 1 1   -2   22   18 o  368.724  158.332  -0.1733   3.2848  -6.0730   4.1663   9.5188   5.3401  307.955  148.003  758.414  215.001 -450.4590 261.0179 
1 1 1   -2   22   20 o  378.174  155.236   0.7788   2.9438   1.9924   3.6091  -1.6338   5.0886  450.610  176.271  428.358  190.122 22.25217 259.2643 
1 1 1   -2   22   22 o  1417.55  110.459   31.924   4.8643   31.869   6.0775   32.022   8.1139  1410.29  139.453  1400.32  189.951 9.964844 235.6449 
1 1 1   -2   22   24 o  1385.64  111.634   30.538   4.8025   31.454   6.0952   29.039   7.7988  1400.01  140.957  1330.47  192.819 69.53723 238.8475 
1 1 1   -2   22   26 o  1707.49  134.447   46.612   7.1301   50.283   11.039   43.984   9.3396  1750.77  205.265  1643.31  184.707 107.4598 276.1343 
1 1 1   -2   22   28 o  1283.73  153.255   26.732   6.0386   29.126   9.8841   25.307   7.6276  1306.22  250.777  1232.16  204.893 74.06262 323.8371 
1 1 1   -2   22   30 o  2318.03  134.802   86.202   9.7421   93.470   15.006   80.907   12.808  2378.48  203.446  2221.55  185.834 156.9263 275.5437 
1 1 1   -2   22   32 o  462.197  181.575   2.2496   3.8431   4.1088   5.1294  -0.1295   5.8024  560.941  212.520  480.715  208.433 80.22580 297.6728 
1 1 1   -2   22   36 o  622.675  271.622   1.9123   9.9776   1.9123   9.9776   0.0000   0.0000  622.675  271.622  ?   ?  0.000000 271.6218 
1 1 1   -2   22   38 o  743.553  302.686   9.3478   11.076   9.3478   11.076   0.0000   0.0000  743.553  302.686  ?   ?  0.000000 302.6859 
1 1 1   -2   22   40 o  1085.53  191.070   21.410   6.2574   21.410   6.2574   0.0000   0.0000  1085.53  191.070  ?   ?  0.000000 191.0702 
1 1 1   -2   22   42 o  673.556  196.177   8.6707   4.3894   13.043   5.5718   1.5185   7.1264  813.256  215.387  513.615  226.620 299.6412 312.6469 
1 1 1   -2   22   44 o  1004.65  156.131   18.234   4.7521   18.851   5.9941   17.189   7.7970  979.561  202.128  862.820  263.977 116.7408 332.4751 
1 1 1   -2   22   46 o  971.009  167.042   17.881   4.8957   14.276   6.1597   24.065   8.0670  793.142  232.791  1014.23  254.443 -221.0911 344.8669 
1 1 1   -2   23    1 o  567.956  177.929   5.0741   3.5186   4.2658   4.0239   7.6996   7.2524  547.498  190.984  730.841  256.314 -183.3431 319.6433 
1 1 1   -2   23    3 o  1062.77  113.907   17.983   3.7315   22.304   4.9222   12.145   5.7219  1181.30  135.522  855.737  214.077 325.5664 253.3678 
1 1 1   -2   23    5 o  726.358  143.423   8.6211   3.1463   11.821   4.1282   4.1867   4.8598  850.471  160.911  569.048  208.544 281.4235 263.4066 
1 1 1   -2   23    7 o  388.516  173.526  -1.7561   4.3083  -9.1889   5.9983   6.1642   6.1919  364.627  175.808  664.280  236.455 -299.6530 294.6510 
1 1 1   -2   23    9 f  1620.58  105.695   41.505   5.3341   39.701   6.4730   45.322   9.4156  1580.63  131.992  1679.12  181.993 -98.49536 224.8187 
1 1 1   -2   23   11 o  249.861  120.631  -4.5085   2.8470  -7.1189   3.3868   1.7791   5.2563  250.071  123.056  513.854  208.775 -263.7837 242.3418 
1 1 1   -2   23   13 o  1435.46  127.615   32.776   5.6762   32.168   7.8020   33.459   8.2734  1410.89  180.758  1437.50  188.337 -26.61646 261.0445 
1 1 1   -2   23   15 o  989.792  211.150   16.267   6.3445   16.267   6.3445   0.0000   0.0000  989.792  211.150  ?   ?  0.000000 211.1496 
1 1 1   -2   23   17 o  526.680  193.400   3.5790   4.1826   3.5790   4.1826   0.0000   0.0000  526.680  193.400  ?   ?  0.000000 193.4003 
1 1 1   -2   23   19 o  1127.48  141.611   20.440   4.8892   20.440   4.8892   0.0000   0.0000  1127.48  141.611  ?   ?  0.000000 141.6112 
1 1 1   -2   23   21 o  1045.27  181.808   17.928   5.7345   14.981   9.0379   19.914   7.4192  946.987  283.008  1092.32  224.421 -145.3303 361.1906 
1 1 1   -2   23   23 o  867.312  160.062   12.342   4.1868   12.472   5.2190   12.107   7.0128  864.793  197.117  852.162  247.896 12.63110 316.7142 
1 1 1   -2   23   25 o  2267.64  135.940   81.925   9.6080   75.954   14.078   87.131   13.146  2156.86  211.152  2323.18  182.171 -166.3188 278.8746 
1 1 1   -2   23   27 o  540.134  188.946   4.2504   3.9398   2.4441   5.1171   6.8800   6.1740  521.133  207.992  676.694  236.539 -155.5612 314.9781 
1 1 1   -2   23   29 o  1545.49  149.925   38.699   7.1640   39.487   11.214   38.157   9.3121  1521.51  243.595  1514.58  201.342 6.926025 316.0335 
1 1 1   -2   23   31 o  411.506  185.391  -2.0632   5.0356 -13.4614   9.5985   2.2651   5.9149  456.816  220.784  537.388  220.253 -80.57175 311.8609 
1 1 1   -2   23   33 o  764.591  298.850   8.5818   10.367   8.5818   10.367   0.0000   0.0000  764.591  298.850  ?   ?  0.000000 298.8505 
1 1 1   -2   23   35 o  712.837  251.170   8.7045   6.9695   0.0000   0.0000   8.7045   6.9695  ?   ?   712.837  251.170 0.000000 251.1701 
1 1 1   -2   23   37 o  1217.18  186.036   25.828   6.8652   23.323   12.060   27.030   8.3502  1045.76  329.683  1216.51  227.579 -170.7485 400.6039 
1 1 1   -2   23   39 o  583.452  267.360  -1.4921   11.039  -1.4921   11.039   0.0000   0.0000  583.452  267.360  ?   ?  0.000000 267.3603 
1 1 1   -2   23   41 o  858.825  183.685   13.470   4.7901   5.5641   6.1772   25.394   7.5864  587.919  230.439  1158.12  217.180 -570.2045 316.6526 
1 1 1   -2   23   43 o  752.554  194.620   10.871   4.6203   7.5770   5.9455   15.892   7.3413  626.305  230.493  858.334  254.735 -232.0285 343.5359 
1 1 1   -2   24    2 o  341.900  151.454  -1.0836   3.2140  -0.3364   3.6554  -3.6293   6.7467  386.215  166.446  470.906  213.144 -84.69061 270.4347 
1 1 1   -2   24    4 o  468.582  167.839   2.9530   3.1243   3.6557   4.0251   1.8879   4.9554  525.715  190.227  505.720  203.677 19.99493 278.6949 
1 1 1   -2   24    6 o  1014.33  180.179   16.790   5.5130   27.555   7.7743   5.9006   7.8191  1302.57  196.740  698.059  262.877 604.5085 328.3457 
1 1 1   -2   24    8 o  892.722  177.869   13.074   4.7974   18.722   6.3152   5.3673   7.3772  1069.00  195.883  673.472  254.936 395.5251 321.5001 
1 1 1   -2   24   10 o  641.659  202.273   6.4849   4.5397   11.598   5.8770  -1.0792   7.1484  837.021  220.980  529.150  230.391 307.8705 319.2373 
1 1 1   -2   24   12 o  2172.32  101.147   74.215   6.8801   79.549   8.5945   64.700   11.480  2243.35  122.818  2009.74  184.486 233.6051 221.6283 
1 1 1   -2   24   14 o  583.269  174.518   5.4611   3.4353   4.8547   4.3123   6.5141   5.6829  576.370  197.898  663.534  227.203 -87.16455 301.3051 
1 1 1   -2   24   16 o  905.530  144.494   13.278   3.9593   14.098   4.9126   11.759   6.6883  927.429  175.596  844.220  241.066 83.20892 298.2392 
1 1 1   -2   24   18 o  984.464  131.320   15.569   3.9471   13.549   4.6922   20.459   7.2998  909.262  171.085  1111.86  217.464 -202.5938 276.6963 
1 1 1   -2   24   20 o  881.217  175.243   12.781   4.6653   12.781   4.6653   0.0000   0.0000  881.217  175.243  ?   ?  0.000000 175.2431 
1 1 1   -2   24   22 o  337.124  156.636  -3.4705   3.9819  -3.4705   3.9819   0.0000   0.0000  337.124  156.636  ?   ?  0.000000 156.6360 
1 1 1   -2   24   24 o  572.866  213.227   4.1807   5.1152   4.1807   5.1152   0.0000   0.0000  572.866  213.227  ?   ?  0.000000 213.2272 
1 1 1   -2   24   26 o  1345.67  168.506   29.498   6.9445   24.819   10.882   32.713   9.0200  1191.01  293.652  1403.34  211.868 -212.3311 362.1040 
1 1 1   -2   24   28 o  377.914  168.626  -1.4397   4.0578   0.1199   5.0713  -4.2152   6.7652  460.119  197.130  454.901  208.764 5.218323 287.1281 
1 1 1   -2   24   30 o  866.796  226.277   13.066   6.2074   10.009   10.427   14.744   7.7255  810.706  303.905  913.553  258.468 -102.8470 398.9536 
1 1 1   -2   24   32 o  720.780  228.845   8.8895   5.8028   8.1832   9.8132   9.2693   7.1956  753.487  291.791  743.921  255.623 9.566650 387.9244 
1 1 1   -2   24   34 o  504.165  195.995   3.0669   4.4406   4.3549   5.9010   1.3852   6.7428  581.111  225.928  537.548  228.725 43.56299 321.4944 
1 1 1   -2   24   36 o  441.122  197.223  -1.2895   5.5805 -11.4108   10.904   2.3026   6.4957  500.660  240.301  543.077  227.434 -42.41757 330.8634 
1 1 1   -2   24   38 o  ?   ?  -20.7533   5.1912 -12.4267   10.697 -23.3183   5.9372  479.911  232.229  ?   ?  0.000000 232.2291 
1 1 1   -2   24   40 o  673.736  242.477   8.2804   6.5283  -6.9070   12.169   14.417   7.7356  551.882  261.786  845.783  263.633 -293.9008 371.5294 
1 1 1   -2   24   42 f  599.326  212.585   6.5115   5.0007   11.938   6.7013  -0.3075   7.5119  765.735  246.224  500.650  225.910 265.0855 334.1584 
1 1 1   -2   25    1 o  933.335  138.852   14.024   3.9344   14.242   5.0941   13.703   6.1937  932.982  180.903  910.031  219.825 22.95087 284.6909 
1 1 1   -2   25    3 o  458.338  190.384   0.8119   4.4992   1.1776   5.7156   0.2160   7.2954  519.052  215.008  559.689  238.024 -40.63721 320.7548 
1 1 1   -2   25    5 o  883.548  191.632   12.849   5.1491   12.143   6.6601   13.899   8.1184  859.213  238.899  920.403  266.428 -61.19067 357.8499 
1 1 1   -2   25    7 o  969.671  259.898   15.599   8.0517   0.0000   0.0000   15.599   8.0517  ?   ?   969.671  259.898 0.000000 259.8984 
1 1 1   -2   25    9 f  536.337  187.417   4.0633   3.8759   5.0336   4.4849   1.2006   7.7033  588.050  201.824  592.915  247.935 -4.864380 319.6945 
1 1 1   -2   25   11 o  747.939  158.352   9.1713   3.5930   14.341   4.8935   3.1242   5.2926  937.307  173.108  552.296  214.175 385.0110 275.3860 
1 1 1   -2   25   13 o  386.923  158.660   0.7954   3.0711   9.3912   4.3166  -8.0155   4.3703  754.571  184.283  296.404  144.574 458.1668 234.2265 
1 1 1   -2   25   15 o  839.475  152.733   11.481   3.8668   13.474   4.9601   8.3933   6.1741  905.798  181.210  732.474  236.425 173.3240 297.8824 
1 1 1   -2   25   17 o  527.005  173.719   4.2174   3.3252   5.5443   4.0480   1.4642   5.8309  596.627  191.318  528.753  217.927 67.87360 289.9907 
1 1 1   -2   25   19 f  575.850  178.209   5.2674   3.5419   10.991   4.2081  -8.6393   6.5595  816.974  170.029  395.510  188.901 421.4640 254.1527 
1 1 1   -2   25   21 f  1309.60  118.092   27.297   4.7905   25.957   5.8074   30.151   8.4744  1270.61  148.783  1355.88  206.094 -85.26465 254.1871 
1 1 1   -2   25   23 o  1254.44  130.155   25.206   5.0380   27.385   6.1686   20.842   8.7308  1302.39  154.259  1106.15  256.979 196.2435 299.7232 
1 1 1   -2   25   25 o  557.413  217.683   3.3067   5.4970   3.3067   5.4970   0.0000   0.0000  557.413  217.683  ?   ?  0.000000 217.6833 
1 1 1   -2   25   27 o  1133.81  289.681   22.768   10.322   22.768   10.322   0.0000   0.0000  1133.81  289.681  ?   ?  0.000000 289.6806 
1 1 1   -2   25   29 o  816.097  230.234   11.486   6.1390   11.486   6.1390   0.0000   0.0000  816.097  230.234  ?   ?  0.000000 230.2344 
1 1 1   -2   25   31 f  854.435  239.755   12.837   6.6759   16.623   11.136   10.713   8.3409  957.894  318.012  798.293  275.162 159.6014 420.5306 
1 1 1   -2   25   33 o  657.432  237.306   6.7277   6.2584   12.043   10.239   3.5575   7.9075  837.663  303.354  617.800  254.106 219.8630 395.7189 
1 1 1   -2   25   35 o  501.991  204.275   2.3192   5.0422   7.3265   6.4448  -5.5823   8.0958  671.446  240.998  475.382  221.695 196.0649 327.4581 
1 1 1   -2   25   37 o  524.225  220.474   1.9465   6.1465   16.903   10.968  -4.9013   7.4213  920.641  315.636  455.803  212.462 464.8381 380.4819 
1 1 1   -2   25   39 o  280.781  140.002 -11.9155   4.9602 -15.6297   6.9021  -7.9483   7.1333  333.253  166.002  406.143  194.784 -72.89093 255.9246 
1 1 1   -2   26    2 o  569.701  228.893   2.4650   6.2419   0.0000   0.0000   2.4650   6.2419  ?   ?   569.701  228.893 0.000000 228.8930 
1 1 1   -2   26    4 o  733.930  225.143   8.5853   5.6673   11.379   7.4039   4.6327   8.8072  841.754  257.188  698.002  274.663 143.7523 376.2784 
1 1 1   -2   26    6 o  1341.49  125.531   28.563   5.2117   30.508   6.1384   23.542   9.8641  1383.97  143.745  1189.31  270.927 194.6552 306.6984 
1 1 1   -2   26    8 o  498.437  188.621   2.8339   4.0376   1.8032   4.6963   5.7548   7.9056  493.519  198.451  698.415  264.020 -204.8957 330.2872 
1 1 1   -2   26   10 o  816.866  159.230   10.897   3.9265   11.711   5.3666   9.9588   5.7599  842.056  205.375  781.265  223.914 60.79083 303.8361 
1 1 1   -2   26   12 o  521.451  180.707   3.8869   3.5997   7.9036   4.9464  -0.6355   5.2485  700.465  209.373  458.584  198.535 241.8808 288.5368 
1 1 1   -2   26   14 o  320.837  146.566  -2.1888   3.2833  -5.2734   4.6683   0.8307   4.6187  347.295  163.961  463.663  192.771 -116.3676 253.0687 
1 1 1   -2   26   16 o  218.285  108.029  -6.3313   2.7426  -7.3954   3.6156  -4.8893   4.2089  260.621  128.028  327.668  154.997 -67.04749 201.0353 
1 1 1   -2   26   18 o  580.295  180.473   5.3430   3.6274  -0.3772   4.6337   14.397   5.8296  434.143  187.251  930.803  205.511 -496.6600 278.0242 
1 1 1   -2   26   20 o  905.809  197.816   13.653   5.4535   32.609   9.7873   5.1176   6.5675  1402.98  230.817  641.213  241.027 761.7696 333.7221 
1 1 1   -2   26   22 o  362.535  159.862  -0.9598   3.5409   0.1668   4.4457  -2.9144   5.8559  436.426  185.710  439.959  198.906 -3.532410 272.1251 
1 1 1   -2   26   24 o  944.146  166.963   14.692   4.7554   18.079   5.9750   8.8399   7.8545  1043.30  189.895  761.266  266.755 282.0369 327.4424 
1 1 1   -2   26   26 o  536.965  202.817   3.5707   4.6627   3.0659   5.9450   4.3775   7.5158  564.016  224.475  641.096  253.263 -77.07971 338.4250 
1 1 1   -2   26   28 o  829.524  230.643   11.814   6.2077   2.4584   10.270   17.200   7.7923  673.433  284.203  993.247  250.567 -319.8143 378.8868 
1 1 1   -2   26   30 o  687.620  291.080   2.8247   10.826   2.8247   10.826   0.0000   0.0000  687.620  291.080  ?   ?  0.000000 291.0802 
1 1 1   -2   26   32 o  1407.42  286.095   35.934   12.178   35.934   12.178   0.0000   0.0000  1407.42  286.095  ?   ?  0.000000 286.0953 
1 1 1   -2   26   34 o  664.236  286.717   2.1158   10.881   2.1158   10.881   0.0000   0.0000  664.236  286.717  ?   ?  0.000000 286.7171 
1 1 1   -2   26   36 o  480.286  211.305  -0.4786   6.1534   0.2505   8.9888  -1.1217   8.4415  581.424  255.604  545.248  243.259 36.17529 352.8571 
1 1 1   -2   26   38 o  666.361  269.426   5.9921   8.7078   0.0000   0.0000   5.9921   8.7078  ?   ?   666.361  269.426 0.000000 269.4258 
1 1 1   -2   27    1 o  677.794  191.402   7.4691   4.2406   4.0589   5.4707   12.603   6.7123  585.528  220.004  875.103  238.460 -289.5749 324.4456 
1 1 1   -2   27    3 o  938.768  175.585   14.376   4.9716   16.450   5.7666   8.3692   9.8125  1003.07  190.566  803.123  296.029 199.9453 352.0630 
1 1 1   -2   27    5 o  998.437  221.664   16.467   6.7493   16.099   9.2108   16.894   9.9184  988.659  283.095  1013.39  294.818 -24.72571 408.7303 
1 1 1   -2   27    7 o  403.325  187.846  -5.2888   5.7822  -1.6867   7.8781  -9.4952   8.5134  547.933  240.123  468.829  221.363 79.10358 326.5899 
1 1 1   -2   27    9 o  533.028  199.174   3.4250   4.4717   15.316   8.4545  -1.1937   5.2691  962.254  269.739  448.111  196.377 514.1434 333.6510 
1 1 1   -2   27   11 o  339.728  153.258  -1.8026   3.4546  -2.4496   4.9152  -1.1709   4.8563  406.494  183.145  428.711  188.186 -22.21738 262.5950 
1 1 1   -2   27   13 o  426.709  184.063  -0.4063   4.4782  -2.7212   8.5825   0.4598   5.2494  556.005  246.837  482.124  203.311 73.88055 319.7876 
1 1 1   -2   27   15 o  491.587  176.671   3.2536   3.4645   4.3540   4.4614   1.5819   5.4989  562.269  200.650  518.342  212.398 43.92664 292.1875 
1 1 1   -2   27   17 o  357.748  157.305  -0.8747   3.4061  -5.4155   4.5164   5.1140   5.1867  336.448  159.562  606.064  216.340 -269.6155 268.8179 
1 1 1   -2   27   19 o  704.831  178.308   8.2392   3.9382   7.7329   5.1063   8.9824   6.1869  692.295  213.930  747.303  236.195 -55.00830 318.6758 
1 1 1   -2   27   21 o  372.706  162.464  -0.6016   3.5638   0.8697   4.6987  -2.5944   5.4685  465.454  194.051  428.018  192.979 37.43622 273.6723 
1 1 1   -2   27   23 o  677.912  189.192   7.6257   4.1688   11.430   5.3821   1.9208   6.5911  824.179  208.419  561.762  231.634 262.4176 311.5973 
1 1 1   -2   27   25 o  576.708  203.897   4.8147   4.5967   6.6032   6.1424   2.5384   6.9299  667.464  235.730  584.739  238.887 82.72504 335.6124 
1 1 1   -2   27   27 o  574.520  208.491   4.6091   4.8402   6.2151   6.5912   2.7293   7.1308  663.343  242.904  592.925  242.289 70.41754 343.0835 
1 1 1   -2   27   29 o  431.561  186.144  -0.1512   4.5794   2.7118   6.3079  -3.3419   6.6590  564.282  228.905  462.645  210.329 101.6367 310.8635 
1 1 1   -2   27   31 o  871.320  236.538   13.250   6.6192   14.020   11.868   12.903   7.9747  911.140  327.037  860.144  267.605 50.99609 422.5703 
1 1 1   -2   27   33 o  616.203  253.502   3.3253   7.8720   0.0000   0.0000   3.3253   7.8720  ?   ?   616.203  253.502 0.000000 253.5023 
1 1 1   -2   28    2 o  532.097  221.260   1.1148   6.0863  -1.0646   7.6110   4.9803   10.136  548.110  238.186  739.274  293.461 -191.1638 377.9575 
1 1 1   -2   28    4 o  444.925  201.700  -3.4093   6.0689  -3.6821   7.7846  -2.9866   9.6905  512.829  230.823  592.579  262.718 -79.75043 349.7139 
1 1 1   -2   28    6 o  618.995  213.068   5.5755   5.0003   5.8449   5.8037   4.7992   9.8503  646.742  229.061  727.636  289.151 -80.89404 368.8860 
1 1 1   -2   28    8 f  589.372  192.776   5.3166   4.0977   2.2331   5.6879   8.6442   5.9085  542.736  218.343  737.380  230.497 -194.6441 317.4941 
1 1 1   -2   28   10 o  679.818  191.807   7.5481   4.2605   2.4736   5.8859   13.133   6.1750  555.541  222.599  889.324  222.342 -333.7830 314.6213 
1 1 1   -2   28   12 o  672.599  217.736   7.0465   5.2337  -3.0664   8.7568   12.666   6.5279  556.851  248.147  873.306  233.994 -316.4552 341.0718 
1 1 1   -2   28   14 o  444.213  191.024  -0.2794   4.7938   4.1102   8.6188  -2.2457   5.7683  677.080  270.027  449.836  200.860 227.2438 336.5398 
1 1 1   -2   28   16 o  778.644  172.908   10.018   4.1059   6.5300   5.2088   15.742   6.6727  653.182  217.525  970.691  224.076 -317.5092 312.2931 
1 1 1   -2   28   18 o  977.224  152.093   15.505   4.5026   20.195   5.9030   8.9811   6.9626  1112.64  175.231  758.187  251.445 354.4501 306.4814 
1 1 1   -2   28   20 o  529.922  187.506   3.9557   3.8881   8.0688   5.1139  -1.6793   5.9856  703.906  213.453  467.934  207.014 235.9720 297.3505 
1 1 1   -2   28   22 o  884.533  209.169   13.136   5.7023   11.068   10.480   14.006   6.7964  859.373  307.441  910.097  236.375 -50.72400 387.8055 
1 1 1   -2   28   24 o  705.881  193.574   8.3049   4.4068   8.3648   6.0004   8.2348   6.4929  721.322  233.101  724.077  242.880 -2.755127 336.6404 
1 1 1   -2   28   26 o  452.521  188.864   0.8496   4.4578  -2.1167   6.8419   3.0377   5.8762  492.496  219.415  562.212  223.357 -69.71609 313.0998 
1 1 1   -2   28   28 o  539.760  202.851   3.6864   4.6514   5.8787   6.8990   1.8594   6.2980  661.169  247.328  546.753  226.025 114.4160 335.0499 
1 1 1   -2   28   30 o  567.039  219.436   3.7560   5.5469   0.2904   9.4760   5.5625   6.8415  616.006  266.728  648.723  245.520 -32.71686 362.5239 
1 1 1   -2   28   32 o  487.987  206.900   0.7411   5.4838  -1.1367   9.7048   1.6219   6.6466  597.059  263.895  548.453  229.893 48.60632 349.9875 
1 1 1   -2   29    1 o  520.367  216.976   0.9739   5.8758   0.9739   5.8758   0.0000   0.0000  520.367  216.976  ?   ?  0.000000 216.9764 
1 1 1   -2   29    3 o  450.883  213.980  -9.7918   8.1496  -9.7918   8.1496   0.0000   0.0000  450.883  213.980  ?   ?  0.000000 213.9803 
1 1 1   -2   29    5 o  1061.32  204.935   18.513   6.5639   18.513   6.5639   0.0000   0.0000  1061.32  204.935  ?   ?  0.000000 204.9351 
1 1 1   -2   29    7 f  749.497  196.301   9.2595   4.6617   9.3417   6.3089   9.1608   6.9183  764.856  238.031  767.357  250.460 -2.501587 345.5272 
1 1 1   -2   29    9 o  352.075  162.429  -3.2752   4.1708  -0.1745   5.8484  -6.4843   5.9498  493.949  211.661  394.368  185.856 99.58078 281.6789 
1 1 1   -2   29   11 o  750.677  197.229   9.3027   4.6962   14.277   6.2345   2.7787   7.1402  926.867  218.400  605.155  244.219 321.7124 327.6303 
1 1 1   -2   29   13 o  414.501  187.641  -2.8343   5.2310   2.5172   9.8539  -4.9341   6.1726  682.443  282.469  425.374  196.720 257.0690 344.2202 
1 1 1   -2   29   15 o  406.311  174.160  -0.1562   3.9617  -6.1483   5.0195   9.7436   6.4518  352.888  167.607  777.035  240.529 -424.1473 293.1663 
1 1 1   -2   29   17 o  311.207  152.209  -9.3623   4.9409  -3.4372   9.1902 -11.7712   5.8598  565.106  252.843  332.372  163.218 232.7345 300.9481 
1 1 1   -2   29   19 o  687.791  229.402   7.2931   5.7923   7.6002   10.307   7.1513   7.0029  786.971  300.504  706.729  251.474 80.24225 391.8442 
1 1 1   -2   29   21 o  423.799  189.423  -2.0096   5.1439   1.1158   9.9481  -3.1501   6.0096  656.145  278.460  443.591  200.938 212.5536 343.3890 
1 1 1   -2   29   23 o  747.117  192.181   9.3148   4.5216   9.4670   6.0261   9.1188   6.8397  759.378  232.029  757.475  249.121 1.902710 340.4394 
1 1 1   -2   29   25 o  569.681  216.260   3.9112   5.3182   3.9531   8.6185   3.8854   6.7583  665.996  268.475  612.033  240.676 53.96344 360.5605 
1 1 1   -2   29   27 o  507.119  209.526   1.4746   5.4079  -8.9686   9.5200   6.4499   6.5710  503.328  236.552  671.766  243.055 -168.4382 339.1646 
1 1 1   -2   29   29 o  668.298  231.770   6.8483   5.9220   32.955   11.617  -2.3170   6.8835  1374.07  279.525  489.326  218.888 884.7460 355.0302 
1 1 1   -2   30    2 o  711.453  256.030   6.9167   7.2784   9.7895   9.2533   2.2555   11.787  823.312  289.477  735.167  306.992 88.14465 421.9493 
1 1 1   -2   30    4 o  483.195  206.390  -0.0623   5.5287  -5.8246   6.2967   19.331   11.552  419.426  195.572  1080.04  319.303 -660.6124 374.4365 
1 1 1   -2   30    6 o  856.162  241.891   12.060   6.7712   12.060   6.7712   0.0000   0.0000  856.162  241.891  ?   ?  0.000000 241.8914 
1 1 1   -2   30    8 o  621.254  236.790   4.3889   6.3921   4.3889   6.3921   0.0000   0.0000  621.254  236.790  ?   ?  0.000000 236.7898 
1 1 1   -2   30   10 o  494.592  216.636  -1.3429   6.4050  -1.3429   6.4050   0.0000   0.0000  494.592  216.636  ?   ?  0.000000 216.6363 
1 1 1   -2   30   12 o  478.114  195.877   1.3027   4.6756   4.5008   6.5123  -2.0996   6.7171  626.972  238.998  493.893  218.859 133.0792 324.0669 
1 1 1   -2   30   14 f  532.854  199.005   3.4625   4.4630   1.0511   5.9671   6.5241   6.7237  524.539  218.681  686.233  246.173 -161.6939 329.2755 
1 1 1   -2   30   16 o  523.597  196.517   3.2930   4.3626   7.6625   5.6907  -2.9355   6.7942  699.928  227.091  482.483  216.529 217.4449 313.7755 
1 1 1   -2   30   18 o  513.313  196.406   2.9315   4.4084  -0.2045   5.6398   7.8569   7.0679  483.147  207.465  728.979  253.182 -245.8320 327.3266 
1 1 1   -2   30   20 o  484.515  199.509   1.2704   4.8813   0.8579   6.7161   1.7322   7.1069  547.110  230.301  579.001  239.789 -31.89124 332.4713 
1 1 1   -2   30   22 o  469.101  212.403  -3.4439   6.7067   0.0000   0.0000  -3.4439   6.7067  ?   ?   469.101  212.403 0.000000 212.4026 
1 1 1   -2   30   24 o  806.368  257.550   10.567   7.3414   0.0000   0.0000   10.567   7.3414  ?   ?   806.368  257.550 0.000000 257.5504 
1 1 1   -2   30   26 f  600.342  230.838   4.1745   6.1083  -0.6283   12.448   5.6978   7.0104  695.650  303.422  663.841  249.122 31.80890 392.5896 
1 1 1   -2   31    1 o  1170.03  344.074   22.795   13.445   0.0000   0.0000   22.795   13.445  ?   ?   1170.03  344.074 0.000000 344.0738 
1 1 1   -2   31    3 o  538.329  219.577   1.7919   5.8431   1.8107   6.6141   1.7252   12.471  567.253  232.749  746.093  313.929 -178.8401 390.7988 
1 1 1   -2   31    5 o  604.098  250.415   1.6668   7.7610  -8.2991   10.015   16.649   12.279  537.257  249.205  1023.68  333.655 -486.4267 416.4479 
1 1 1   -2   31    7 o  435.934  189.503  -0.7599   4.8210  -0.8356   6.5471  -0.6701   7.1253  510.439  221.362  536.391  231.773 -25.95224 320.4996 
1 1 1   -2   31    9 o  1097.39  170.139   19.501   5.6571   22.128   7.5879   16.214   8.4881  1160.37  216.810  987.406  267.777 172.9669 344.5447 
1 1 1   -2   31   11 o  537.340  231.446  -0.4542   7.0598  -0.4542   7.0598   0.0000   0.0000  537.340  231.446  ?   ?  0.000000 231.4464 
1 1 1   -2   31   13 o  441.507  201.079  -3.7375   6.1209  -3.7375   6.1209   0.0000   0.0000  441.507  201.079  ?   ?  0.000000 201.0795 
1 1 1   -2   31   15 o  378.563  182.551  -9.9076   6.4725  -9.9076   6.4725   0.0000   0.0000  378.563  182.551  ?   ?  0.000000 182.5508 
1 1 1   -2   31   17 o  406.760  182.906  -2.2900   4.8744  -2.0345   6.8773  -2.5480   6.9097  500.987  221.755  493.747  220.197 7.240662 312.5093 
1 1 1   -2   31   19 f  674.689  222.773   7.0231   5.4675   6.7904   7.5759   7.2760   7.8986  711.274  260.422  730.646  266.154 -19.37262 372.3677 
1 1 1   -2   31   21 o  564.746  230.710   2.0944   6.4633   15.412   12.436  -2.8338   7.5653  986.174  336.110  513.990  229.729 472.1847 407.1183 
1 1 1   -2   32    2 o  673.011  264.775   4.3050   8.1829   6.4197   10.149   0.3756   13.834  768.924  297.025  764.071  326.423 4.853027 441.3338 
1 1 1   -2   32    4 o  558.567  247.066  -2.5335   8.5220  -7.6254   11.090   4.8087   13.317  582.267  267.243  816.075  332.020 -233.8079 426.2117 
1 1 1   -2   32    6 o  587.915  217.004   4.3545   5.2761   6.6357   6.8788   1.0946   8.2229  695.563  249.051  609.082  255.525 86.48193 356.8185 
1 1 1   -2   32    8 o  454.141  198.041  -0.9729   5.3003   6.1203   7.1310  -9.7289   7.9228  687.509  252.518  442.802  210.390 244.7074 328.6776 
1 1 1   -2   32   10 o  749.312  248.240   8.5927   6.7869   8.6518   10.642   8.5523   8.8113  824.614  307.431  785.424  281.805 39.18909 417.0466 
1 1 1   -2   32   12 f  541.602  220.762   1.8533   5.9014   6.4797   8.3226  -2.8248   8.3691  724.658  271.538  547.572  243.390 177.0863 364.6523 
1 1 1   -2   32   14 o  318.887  156.105 -10.1030   5.2320  -3.7977   7.2026 -17.1470   7.6129  487.163  220.390  365.085  180.556 122.0784 284.9069 
1 1 1   -2   33    1 f  512.427  222.405  -0.9327   6.6196  -4.5761   7.5882   10.668   13.540  492.869  224.245  922.786  346.238 -429.9170 412.5127 
1 1 1   -1    0   55 o  2932.97  205.035  146.921   18.619  146.921   18.619  146.921   18.619  2932.97  205.035  2932.97  205.035 -0.000000 0.000000 
1 1 1   -1    0   57 o  480.331  285.090   5.7862   7.4589   5.7862   7.4589   5.7862   7.4589  480.331  285.090  480.331  285.090 -0.000000 0.000000 
1 1 1   -1    0   59 o  1923.94  111.383   60.197   6.6586   60.197   6.6586   60.197   6.6586  1923.94  111.383  1923.94  111.383 -0.000000 0.000000 
1 1 1   -1    0   61 o  944.558  166.272   16.030   4.4625   16.030   4.4625   16.030   4.4625  944.558  166.272  944.558  166.272 -0.000000 0.000000 
1 1 1   -1    1   10 o  4154.38  221.596  273.915   28.722  273.915   28.722   0.0000   0.0000  4154.38  221.596  ?   ?  0.000000 221.5965 
1 1 1   -1    1   12 o  996.586   32.990   15.554   1.0295   34.409   1.5323   0.0428   1.3898  1482.28   33.014  246.500  104.316 1235.779 109.4162 
1 1 1   -1    1   14 o  162.285   64.613   0.2066   0.4927   0.0000   0.0000   0.2066   0.4927  ?   ?   162.285   64.613 0.000000 64.61317 
1 1 1   -1    1   18 f  207.879   81.113   0.4080   0.7627   0.0000   0.0000   0.4080   0.7627  ?   ?   207.879   81.113 0.000000 81.11287 
1 1 1   -1    1   20 o  238.716   90.978   0.6210   0.9436   0.0000   0.0000   0.6210   0.9436  ?   ?   238.716   90.978 0.000000 90.97827 
1 1 1   -1    1   22 o  1035.05  134.515   17.341   4.2566   0.0000   0.0000   17.341   4.2566  ?   ?   1035.05  134.515 0.000000 134.5153 
1 1 1   -1    1   24 o  669.268  136.922   7.4224   2.7727   0.0000   0.0000   7.4224   2.7727  ?   ?   669.268  136.922 0.000000 136.9224 
1 1 1   -1    1   42 o  3601.54  285.155  307.138   31.895   0.0000   0.0000  307.138   31.895  ?   ?   3601.54  285.155 0.000000 285.1555 
1 1 1   -1    1   44 o  1276.81  161.190   30.583   6.3008   0.0000   0.0000   30.583   6.3008  ?   ?   1276.81  161.190 0.000000 161.1901 
1 1 1   -1    1   46 o  1309.42  165.380   33.281   6.6295   0.0000   0.0000   33.281   6.6295  ?   ?   1309.42  165.380 0.000000 165.3803 
1 1 1   -1    1   48 o  2012.69  191.560   86.332   11.927   0.0000   0.0000   86.332   11.927  ?   ?   2012.69  191.560 0.000000 191.5596 
1 1 1   -1    1   54 o  510.395  194.341   11.394   4.3030   0.0000   0.0000   11.394   4.3030  ?   ?   510.395  194.341 0.000000 194.3411 
1 1 1   -1    1   56 o  470.986  231.987   67.914   12.133   67.914   12.133   0.0000   0.0000  470.986  231.987  ?   ?  0.000000 231.9870 
1 1 1   -1    1   58 o  783.049  242.995   46.340   6.5801   45.255   10.819   46.977   8.2895  ?   ?   443.968  212.132 0.000000 212.1315 
1 1 1   -1    1   60 o  1012.29  166.349   45.373   5.0896   68.657   10.272   37.796   5.8594  ?   ?   492.219  211.416 0.000000 211.4163 
1 1 1   -1    2    9 o  2964.91  178.415  139.046   16.487  139.046   16.487   0.0000   0.0000  2964.91  178.415  ?   ?  0.000000 178.4146 
1 1 1   -1    2   11 o  2028.27  150.318   65.123   9.4788   65.123   9.4788   0.0000   0.0000  2028.27  150.318  ?   ?  0.000000 150.3184 
1 1 1   -1    2   13 o  2948.21  178.538  137.990   16.404  137.990   16.404   0.0000   0.0000  2948.21  178.538  ?   ?  0.000000 178.5382 
1 1 1   -1    2   15 o  477.704   42.065   3.6034   0.6228   8.8349   0.9769   0.0207   0.8084  749.731   41.777  187.750   79.512 561.9811 89.81921 
1 1 1   -1    2   17 o  2668.23   21.070  111.495   1.7603  294.296   2.8584  -0.1964   2.2343  4334.97   21.058  302.251  130.196 4032.719 131.8880 
1 1 1   -1    2   19 o  258.041   92.458   0.8875   0.9482   0.0000   0.0000   0.8875   0.9482  ?   ?   258.041   92.458 0.000000 92.45832 
1 1 1   -1    2   21 o  172.365   70.450   0.1620   0.6031   0.0000   0.0000   0.1620   0.6031  ?   ?   172.365   70.450 0.000000 70.44976 
1 1 1   -1    2   23 o  181.216   74.775   0.1460   0.6875   0.0000   0.0000   0.1460   0.6875  ?   ?   181.216   74.775 0.000000 74.77534 
1 1 1   -1    2   25 o  3225.58  195.206  172.581   19.623   0.0000   0.0000  172.581   19.623  ?   ?   3225.58  195.206 0.000000 195.2060 
1 1 1   -1    2   27 o  2131.39  159.572   75.313   10.572   0.0000   0.0000   75.313   10.572  ?   ?   2131.39  159.572 0.000000 159.5723 
1 1 1   -1    2   29 o  2676.90  181.213  122.964   15.100   0.0000   0.0000  122.964   15.100  ?   ?   2676.90  181.213 0.000000 181.2131 
1 1 1   -1    2   31 o  2112.72  163.307   76.379   10.720   0.0000   0.0000   76.379   10.720  ?   ?   2112.72  163.307 0.000000 163.3065 
1 1 1   -1    2   33 f  2478.26  179.200  108.713   13.812   0.0000   0.0000  108.713   13.812  ?   ?   2478.26  179.200 0.000000 179.1999 
1 1 1   -1    2   35 o  2141.75  170.996   82.676   11.372   0.0000   0.0000   82.676   11.372  ?   ?   2141.75  170.996 0.000000 170.9957 
1 1 1   -1    2   37 o  1717.18  160.481   53.547   8.5289   0.0000   0.0000   53.547   8.5289  ?   ?   1717.18  160.481 0.000000 160.4810 
1 1 1   -1    2   39 o  927.296  156.372   15.693   4.3789   0.0000   0.0000   15.693   4.3789  ?   ?   927.296  156.372 0.000000 156.3719 
1 1 1   -1    2   41 o  521.240  160.579   5.0365   2.8795   0.0000   0.0000   5.0365   2.8795  ?   ?   521.240  160.579 0.000000 160.5791 
1 1 1   -1    2   43 o  1736.92  165.219   56.104   8.8775   0.0000   0.0000   56.104   8.8775  ?   ?   1736.92  165.219 0.000000 165.2186 
1 1 1   -1    2   45 o  1076.50  161.763   22.072   5.2841   0.0000   0.0000   22.072   5.2841  ?   ?   1076.50  161.763 0.000000 161.7633 
1 1 1   -1    2   47 o  344.870  143.183   1.3415   2.5431   0.0000   0.0000   1.3415   2.5431  ?   ?   344.870  143.183 0.000000 143.1831 
1 1 1   -1    2   49 o  1344.91  171.329   37.455   7.0512   0.0000   0.0000   37.455   7.0512  ?   ?   1344.91  171.329 0.000000 171.3290 
1 1 1   -1    2   51 o  1277.88  123.251   31.698   4.8706   46.264   8.2230   23.826   6.0451  1357.39  199.411  951.985  208.560 405.4069 288.5515 
1 1 1   -1    2   53 o  801.801  297.632   45.775   9.9531   45.775   9.9531   0.0000   0.0000  801.801  297.632  ?   ?  0.000000 297.6323 
1 1 1   -1    2   55 o  318.587  160.299   6.2027   7.2522   6.2027   7.2522   0.0000   0.0000  318.587  160.299  ?   ?  0.000000 160.2988 
1 1 1   -1    2   59 o  772.391  244.797   51.890   6.6422   69.224   11.205   42.500   8.2474  ?   ?   352.654  176.546 0.000000 176.5461 
1 1 1   -1    2   61 o  511.681  210.639   39.147   5.4394   41.872   12.248   38.478   6.0709  ?   ?   374.820  179.744 0.000000 179.7437 
1 1 1   -1    3    8 o  3380.58  192.668  180.870   20.310  180.870   20.310   0.0000   0.0000  3380.58  192.668  ?   ?  0.000000 192.6682 
1 1 1   -1    3   10 o  3555.40  199.182  200.410   22.085  200.410   22.085   0.0000   0.0000  3555.40  199.182  ?   ?  0.000000 199.1825 
1 1 1   -1    3   12 o  2399.77  160.884   91.273   12.019   91.273   12.019   0.0000   0.0000  2399.77  160.884  ?   ?  0.000000 160.8844 
1 1 1   -1    3   14 o  2706.22  170.935  116.531   14.410  116.531   14.410   0.0000   0.0000  2706.22  170.935  ?   ?  0.000000 170.9347 
1 1 1   -1    3   16 o  1525.31   23.853   36.437   1.1393   87.218   1.7617  -0.0626   1.4936  2359.87   23.841  250.489  107.141 2109.377 109.7610 
1 1 1   -1    3   18 o  255.609   56.198   1.0655   0.4375   3.4602   0.7741  -0.0586   0.5304  466.504   53.994  147.058   63.390 319.4460 83.26836 
1 1 1   -1    3   20 o  1067.85   37.899   17.875   1.2672   39.802   1.9055   0.4887   1.6968  1593.45   38.191  289.505  118.233 1303.941 124.2479 
1 1 1   -1    3   22 o  119.073   51.125  -0.0273   0.3424   0.0000   0.0000  -0.0273   0.3424  ?   ?   119.073   51.125 0.000000 51.12544 
1 1 1   -1    3   24 o  ?   ?   -0.6512   0.1466   0.0000   0.0000  -0.6512   0.1466  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1    3   26 o  269.288  100.946   0.8726   1.1504   0.0000   0.0000   0.8726   1.1504  ?   ?   269.288  100.946 0.000000 100.9458 
1 1 1   -1    3   28 o  924.080  137.290   14.261   3.8518   0.0000   0.0000   14.261   3.8518  ?   ?   924.080  137.290 0.000000 137.2899 
1 1 1   -1    3   30 o  1232.63  141.244   25.505   5.3532   0.0000   0.0000   25.505   5.3532  ?   ?   1232.63  141.244 0.000000 141.2440 
1 1 1   -1    3   32 o  2839.11  192.099  143.301   16.977   0.0000   0.0000  143.301   16.977  ?   ?   2839.11  192.099 0.000000 192.0987 
1 1 1   -1    3   34 o  584.048  148.015   6.0697   2.7103   0.0000   0.0000   6.0697   2.7103  ?   ?   584.048  148.015 0.000000 148.0146 
1 1 1   -1    3   36 o  2909.50  210.437  165.556   19.042   0.0000   0.0000  165.556   19.042  ?   ?   2909.50  210.437 0.000000 210.4369 
1 1 1   -1    3   38 o  1950.29  167.156   69.756   10.109   0.0000   0.0000   69.756   10.109  ?   ?   1950.29  167.156 0.000000 167.1565 
1 1 1   -1    3   40 o  2315.17  181.438  100.149   13.048   0.0000   0.0000  100.149   13.048  ?   ?   2315.17  181.438 0.000000 181.4376 
1 1 1   -1    3   42 o  666.972  158.299   8.2939   3.2564   0.0000   0.0000   8.2939   3.2564  ?   ?   666.972  158.299 0.000000 158.2994 
1 1 1   -1    3   44 o  1652.96  163.394   51.234   8.3462   0.0000   0.0000   51.234   8.3462  ?   ?   1652.96  163.394 0.000000 163.3936 
1 1 1   -1    3   46 o  1535.24  163.807   45.378   7.7529   0.0000   0.0000   45.378   7.7529  ?   ?   1535.24  163.807 0.000000 163.8067 
1 1 1   -1    3   48 f  1198.96  126.152   26.123   4.6650   23.752   7.7471   27.472   5.8431  945.609  255.562  1179.38  162.542 -233.7755 302.8729 
1 1 1   -1    3   50 o  1808.40  194.419   75.772   10.836   0.0000   0.0000   75.772   10.836  ?   ?   1808.40  194.419 0.000000 194.4191 
1 1 1   -1    3   52 o  2656.79  194.363  192.100   16.057  179.492   23.200  203.692   22.246  1123.10  444.559  1720.70  417.202 -597.5947 609.6645 
1 1 1   -1    3   54 o  500.266  231.609   27.009   8.5909   27.009   8.5909   0.0000   0.0000  500.266  231.609  ?   ?  0.000000 231.6092 
1 1 1   -1    3   56 o  595.668  197.183   16.933   4.2825   20.232   9.7595   16.147   4.7658  ?   ?   496.672  199.845 0.000000 199.8452 
1 1 1   -1    4    5 o  1685.22   33.458   44.473   1.7655   93.351   2.5552  -0.1844   2.4423  2441.57   33.422  318.186  136.575 2123.386 140.6050 
1 1 1   -1    4   11 o  2087.38  151.958   69.041   9.8639   69.041   9.8639   0.0000   0.0000  2087.38  151.958  ?   ?  0.000000 151.9580 
1 1 1   -1    4   13 o  696.062   38.640   7.6135   0.8389   16.443   1.2421   0.2090   1.1375  1024.51   38.719  231.698   95.942 792.8073 103.4600 
1 1 1   -1    4   15 o  2563.28  166.784  104.870   13.314  104.870   13.314   0.0000   0.0000  2563.28  166.784  ?   ?  0.000000 166.7841 
1 1 1   -1    4   17 o  1997.65   20.722   62.497   1.2962  154.444   2.0367  -0.0971   1.6805  3140.34   20.713  264.336  113.370 2876.003 115.2465 
1 1 1   -1    4   19 o  769.778   35.998   9.2869   0.8677   21.759   1.3257  -0.0613   1.1477  1178.29   35.930  218.914   93.784 959.3799 100.4311 
1 1 1   -1    4   21 o  186.549   72.169   0.3476   0.5998   0.0000   0.0000   0.3476   0.5998  ?   ?   186.549   72.169 0.000000 72.16912 
1 1 1   -1    4   23 o  603.826   49.524   5.7628   0.9281   13.918   1.4169  -0.3665   1.2283  940.348   48.283  213.159   94.066 727.1896 105.7342 
1 1 1   -1    4   25 o  1918.41   35.260   57.735   2.1181  129.400   3.1783   0.4829   2.8408  2872.00   35.342  358.784  150.338 2513.218 154.4361 
1 1 1   -1    4   27 f  1240.46   61.048   24.293   2.3712   49.664   3.4248   0.9321   3.2863  1773.49   61.672  392.760  162.891 1380.727 174.1752 
1 1 1   -1    4   29 o  349.097  115.389   1.9072   1.4667   0.0000   0.0000   1.9072   1.4667  ?   ?   349.097  115.389 0.000000 115.3892 
1 1 1   -1    4   31 o  683.346  138.844   8.0094   2.8695   0.0000   0.0000   8.0094   2.8695  ?   ?   683.346  138.844 0.000000 138.8435 
1 1 1   -1    4   33 o  606.615  141.710   6.4385   2.6431   0.0000   0.0000   6.4385   2.6431  ?   ?   606.615  141.710 0.000000 141.7101 
1 1 1   -1    4   35 o  4139.56  310.890  399.424   40.003   0.0000   0.0000  399.424   40.003  ?   ?   4139.56  310.890 0.000000 310.8897 
1 1 1   -1    4   37 o  420.321  137.018   3.0500   2.0708   0.0000   0.0000   3.0500   2.0708  ?   ?   420.321  137.018 0.000000 137.0182 
1 1 1   -1    4   39 o  3428.07  248.341  247.831   26.477   0.0000   0.0000  247.831   26.477  ?   ?   3428.07  248.341 0.000000 248.3411 
1 1 1   -1    4   41 o  390.500  137.396   2.4816   2.0848   0.0000   0.0000   2.4816   2.0848  ?   ?   390.500  137.396 0.000000 137.3959 
1 1 1   -1    4   43 o  395.348  134.269   2.6648   1.9845   5.1367   4.8918   2.1778   2.1712  528.055  205.592  375.066  139.055 152.9894 248.2023 
1 1 1   -1    4   45 o  731.136  144.723   9.9177   3.1960   3.1812   6.1652   12.393   3.7373  486.753  212.889  812.700  152.465 -325.9469 261.8531 
1 1 1   -1    4   47 o  1861.37  108.072   59.947   6.2717   81.023   9.8172   45.414   8.1522  2070.75  152.479  1507.99  175.955 562.7524 232.8306 
1 1 1   -1    4   49 o  1547.61  114.576   42.995   5.5129   56.036   9.0780   35.375   6.9389  1621.65  181.915  1301.43  174.685 320.2285 252.2061 
1 1 1   -1    4   51 o  887.033  163.001   17.571   4.3606   6.6187   8.9247   21.006   4.9977  447.564  215.466  951.436  174.173 -503.8727 277.0594 
1 1 1   -1    4   53 o  621.579  276.130   41.057   10.758   41.057   10.758   0.0000   0.0000  621.579  276.130  ?   ?  0.000000 276.1302 
1 1 1   -1    4   55 o  691.964  321.988  140.713   16.928   0.0000   0.0000  140.713   16.928  ?   ?   691.964  321.988 0.000000 321.9883 
1 1 1   -1    4   57 o  444.330  189.684   15.692   4.6652   0.0000   0.0000   15.692   4.6652  ?   ?   444.330  189.684 0.000000 189.6845 
1 1 1   -1    4   59 o  ?   ?   146.153   17.475   0.0000   0.0000  146.153   17.475  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1    4   61 o  ?   ?   114.244   14.571   0.0000   0.0000  114.244   14.571  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1    5    2 f  8910.35  237.617  1256.33   66.296  1327.44   81.201  1114.17  114.815  9138.42  283.774  8271.36  444.943 867.0625 527.7331 
1 1 1   -1    5    4 o  5954.94  169.732  558.370   31.649  552.806   38.766  569.491   54.806  5916.44  209.252  5980.43  292.673 -63.99219 359.7832 
1 1 1   -1    5    6 o  3533.87  119.957  196.126   13.274  280.752   18.788  111.787   18.756  4225.47  142.000  2647.72  228.467 1577.746 268.9997 
1 1 1   -1    5    8 o   43.230   21.113  -0.1783   0.0940   0.0000   0.0000  -0.1783   0.0940  ?   ?    43.230   21.113 0.000000 21.11296 
1 1 1   -1    5   12 o  1621.07  140.843   41.776   7.0781   41.776   7.0781   0.0000   0.0000  1621.07  140.843  ?   ?  0.000000 140.8427 
1 1 1   -1    5   16 o  367.706   51.972   2.1626   0.5817   5.4306   0.9263   0.0346   0.7475  586.237   50.971  181.391   76.618 404.8461 92.02370 
1 1 1   -1    5   18 o  1126.76  133.323   20.415   4.6127   20.415   4.6127   0.0000   0.0000  1126.76  133.323  ?   ?  0.000000 133.3234 
1 1 1   -1    5   20 o   41.822   20.027  -0.1064   0.0748   0.0000   0.0000  -0.1064   0.0748  ?   ?    41.822   20.027 0.000000 20.02681 
1 1 1   -1    5   22 o  1593.88   32.815   39.819   1.6377   88.119   2.4427   0.3802   2.2073  2371.05   32.901  319.361  133.061 2051.689 137.0682 
1 1 1   -1    5   24 o  1293.83   33.986   26.253   1.3769   60.266   2.0835  -0.1197   1.8346  1960.33   33.943  274.093  118.022 1686.237 122.8061 
1 1 1   -1    5   26 o  850.830   52.898   11.441   1.4023   25.037   2.0724  -0.0414   1.9045  1261.08   52.483  280.954  120.599 980.1309 131.5243 
1 1 1   -1    5   28 o  1107.49   46.689   19.312   1.6191   43.002   2.4041  -0.3530   2.1903  1652.67   46.456  289.304  126.702 1363.364 134.9505 
1 1 1   -1    5   30 o  1327.68   53.481   27.836   2.2234   59.380   3.2507   0.1070   3.0477  1939.13   53.536  352.958  152.049 1586.175 161.1988 
1 1 1   -1    5   32 o   94.312   44.389  -0.3674   0.3374   0.0000   0.0000  -0.3674   0.3374  ?   ?    94.312   44.389 0.000000 44.38902 
1 1 1   -1    5   34 o  161.959   71.287  -0.1721   0.7011   0.0000   0.0000  -0.1721   0.7011  ?   ?   161.959   71.287 0.000000 71.28714 
1 1 1   -1    5   36 o  1124.10  142.811   22.179   4.9133   0.0000   0.0000   22.179   4.9133  ?   ?   1124.10  142.811 0.000000 142.8105 
1 1 1   -1    5   38 o  580.261  122.195   5.8739   2.1500   9.9201   4.6299   4.7614   2.4277  708.234  199.993  514.177  144.686 194.0567 246.8432 
1 1 1   -1    5   40 o  889.506  132.362   13.760   3.5743   4.0691   6.1682   18.659   4.3857  533.032  222.288  1032.79  139.157 -499.7603 262.2529 
1 1 1   -1    5   42 o  599.463  137.006   6.4539   2.5156   3.8780   5.3870   7.1722   2.8448  508.291  209.477  626.954  147.392 -118.6637 256.1349 
1 1 1   -1    5   44 o  3945.97  158.137  286.402   19.539  330.090   28.006  244.971   27.273  3929.11  228.625  3204.21  274.481 724.8994 357.2243 
1 1 1   -1    5   46 o  933.248  126.947   15.563   3.6134   16.016   6.9320   15.394   4.2342  797.889  249.704  901.676  155.590 -103.7868 294.2116 
1 1 1   -1    5   48 o  3402.79  153.274  221.755   16.331  248.986   23.817  197.587   22.437  3216.93  238.134  2769.95  261.788 446.9827 353.8937 
1 1 1   -1    5   50 o  1207.40  169.588   31.414   6.2348   0.0000   0.0000   31.414   6.2348  ?   ?   1207.40  169.588 0.000000 169.5877 
1 1 1   -1    5   54 o  1083.54  262.538   55.452   8.8138   0.0000   0.0000   55.452   8.8138  ?   ?   1083.54  262.538 0.000000 262.5376 
1 1 1   -1    5   56 o  361.089  150.801   5.4308   2.8446   22.745   9.7225   3.8098   2.9748  341.660  173.379  311.938  141.331 29.72229 223.6842 
1 1 1   -1    5   58 o  483.034  189.413   16.486   4.1750   23.561   10.938   15.279   4.5169  ?   ?   406.240  179.771 0.000000 179.7712 
1 1 1   -1    5   60 o  344.647  170.106   33.101   6.6387   0.0000   0.0000   33.101   6.6387  ?   ?   344.647  170.106 0.000000 170.1063 
1 1 1   -1    6    1 o  1377.74   66.978   29.746   2.8895   29.334   4.0878   30.158   4.0849  1364.08   96.324  1383.36   94.876 -19.27893 135.2030 
1 1 1   -1    6    3 o  2315.28   78.060   84.037   5.6591   83.006   8.0013   85.069   8.0051  2299.48  111.125  2327.95  109.819 -28.46777 156.2343 
1 1 1   -1    6    5 o  1581.16   80.480   39.303   3.9714   38.617   4.8703   40.663   6.8609  1565.53   99.872  1602.14  138.112 -36.60559 170.4389 
1 1 1   -1    6    7 o  2347.59  159.500   87.265   11.655   87.265   11.655   0.0000   0.0000  2347.59  159.500  ?   ?  0.000000 159.4996 
1 1 1   -1    6    9 o  1534.77   97.411   37.143   4.6571   35.568   6.5863   38.717   6.5858  1495.58  142.361  1561.94  136.015 -66.36682 196.8927 
1 1 1   -1    6   11 o  1296.44   80.716   26.488   3.2604   24.596   4.0086   30.186   5.6041  1246.32  103.659  1377.39  131.536 -131.0630 167.4718 
1 1 1   -1    6   13 o  2880.52  178.447  132.584   16.016  132.584   16.016   0.0000   0.0000  2880.52  178.447  ?   ?  0.000000 178.4468 
1 1 1   -1    6   15 o  1382.86  136.804   30.587   5.8460   30.587   5.8460   0.0000   0.0000  1382.86  136.804  ?   ?  0.000000 136.8040 
1 1 1   -1    6   17 o  354.875   69.446   2.0468   0.7441   4.7860   1.1515   0.0835   0.9749  547.720   68.651  209.028   87.853 338.6921 111.4949 
1 1 1   -1    6   19 o  3930.69  218.277  252.017   26.760  252.017   26.760   0.0000   0.0000  3930.69  218.277  ?   ?  0.000000 218.2775 
1 1 1   -1    6   21 o  461.579   63.098   3.4104   0.8881   7.1751   1.3251   0.3401   1.1966  672.648   63.669  243.136   99.291 429.5119 117.9515 
1 1 1   -1    6   23 o  1944.94  151.206   61.359   9.1362   61.359   9.1362   0.0000   0.0000  1944.94  151.206  ?   ?  0.000000 151.2060 
1 1 1   -1    6   25 o  1458.61   40.824   33.412   1.8646   71.998   2.7581   0.9341   2.5304  2141.10   41.139  356.226  144.807 1784.879 150.5368 
1 1 1   -1    6   27 o  379.530   71.370   2.3549   0.8170   5.3146   1.2655   0.2394   1.0699  574.791   71.884  225.083   93.113 349.7071 117.6323 
1 1 1   -1    6   29 o  967.380   53.938   14.815   1.6273   31.429   2.3919   0.4968   2.2204  1411.11   54.133  319.542  133.323 1091.567 143.8937 
1 1 1   -1    6   31 o  630.994   60.544   6.3639   1.1815   11.472   1.6243   0.6243   1.7219  848.612   61.548  292.219  119.194 556.3936 134.1470 
1 1 1   -1    6   33 o  1646.38  108.966   44.652   5.5857   44.652   5.5857   0.0000   0.0000  1646.38  108.966  ?   ?  0.000000 108.9658 
1 1 1   -1    6   35 o  1866.85  103.931   57.635   6.0513   57.635   6.0513   0.0000   0.0000  1866.85  103.931  ?   ?  0.000000 103.9307 
1 1 1   -1    6   37 o  ?   ?   -1.1635   0.2710   22.389   4.1950  -1.2622   0.2716  1150.27  118.150  ?   ?  0.000000 118.1497 
1 1 1   -1    6   39 o  1210.23  118.414   24.730   4.4299   18.523   7.2289   28.462   5.6057  938.997  243.732  1279.12  142.376 -340.1269 282.2697 
1 1 1   -1    6   41 o  2024.42  111.097   68.617   7.0154   77.491   10.638   61.788   9.3322  2072.80  165.280  1854.37  162.356 218.4318 231.6830 
1 1 1   -1    6   43 o  2012.90  118.463   69.233   7.4336   75.041   11.688   65.288   9.6332  1968.59  192.052  1882.70  165.075 85.89832 253.2465 
1 1 1   -1    6   45 o  1989.65  119.822   68.649   7.4302   75.317   11.778   64.240   9.5764  1933.22  197.328  1841.50  167.925 91.72290 259.1084 
1 1 1   -1    6   47 o  2729.61  226.112  166.738   19.152   0.0000   0.0000  166.738   19.152  ?   ?   2729.61  226.112 0.000000 226.1120 
1 1 1   -1    6   49 o  647.003  160.373   8.6538   3.2327   0.0000   0.0000   8.6538   3.2327  ?   ?   647.003  160.373 0.000000 160.3726 
1 1 1   -1    6   51 o  1156.93  139.875   27.870   4.9643   28.854   9.8384   27.534   5.7499  702.482  285.544  1077.96  176.457 -375.4794 335.6670 
1 1 1   -1    6   53 o  706.049  169.893   13.585   3.7105   15.801   9.5010   13.186   4.0305  420.121  206.614  649.453  187.649 -229.3323 279.1084 
1 1 1   -1    6   55 o  354.892  144.968   4.1936   2.5516   13.712   10.079   3.5418   2.6376  ?   ?   330.605  141.918 0.000000 141.9179 
1 1 1   -1    6   57 o  346.874  147.869   5.6280   2.8277   12.139   10.384   5.1064   2.9388  ?   ?   326.599  144.743 0.000000 144.7429 
1 1 1   -1    6   59 o  ?   ?    99.083   13.041   0.0000   0.0000   99.083   13.041  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1    7    2 o  651.632   76.783   6.7500   1.5366   6.2722   2.6304   6.9976   1.8933  619.276  139.052  661.216   94.100 -41.93964 167.8994 
1 1 1   -1    7    4 o  480.965   81.990   3.7299   1.1905   4.3284   1.9898   3.3962   1.4858  514.469  124.796  455.948  106.068 58.52121 163.7819 
1 1 1   -1    7    6 f  799.309   92.152   10.162   2.2642   10.539   3.1851   9.7763   3.2192  808.243  130.282  776.569  137.416 31.67407 189.3582 
1 1 1   -1    7    8 o  908.022   76.519   13.028   2.1553   12.555   2.6551   13.942   3.6909  888.728   96.984  931.927  130.024 -43.19867 162.2101 
1 1 1   -1    7   10 o  5431.76  191.253  469.442   32.529  475.041   46.047  463.864   45.958  5413.42  272.526  5347.26  275.414 66.15967 387.4577 
1 1 1   -1    7   12 o  1702.59   99.754   45.783   5.2949   45.783   5.2949   0.0000   0.0000  1702.59   99.754  ?   ?  0.000000 99.75400 
1 1 1   -1    7   14 o  3851.13  120.608  234.335   14.544  232.144   17.827  238.694   25.151  3823.98  148.882  3846.33  209.618 -22.35352 257.1099 
1 1 1   -1    7   16 o  3944.46  124.242  246.182   15.345  241.311   18.809  255.877   26.535  3894.15  154.258  3975.27  213.962 -81.11255 263.7714 
1 1 1   -1    7   18 o  2098.13  100.864   69.468   6.6265   69.468   6.6265   0.0000   0.0000  2098.13  100.864  ?   ?  0.000000 100.8638 
1 1 1   -1    7   20 o  1278.67   94.746   25.952   3.7665   25.952   3.7665   0.0000   0.0000  1278.67   94.746  ?   ?  0.000000 94.74649 
1 1 1   -1    7   22 o  1308.01  137.430   27.695   5.5445   27.695   5.5445   0.0000   0.0000  1308.01  137.430  ?   ?  0.000000 137.4297 
1 1 1   -1    7   24 o  1325.22   89.147   27.989   3.6777   27.989   3.6777   0.0000   0.0000  1325.22   89.147  ?   ?  0.000000 89.14652 
1 1 1   -1    7   26 o  264.991   76.391   1.1380   0.6686   2.5631   1.0034  -0.0004   0.8968  394.325   83.844  195.249   83.254 199.0766 118.1566 
1 1 1   -1    7   28 o  1117.14  106.916   20.276   3.6943   20.276   3.6943   0.0000   0.0000  1117.14  106.916  ?   ?  0.000000 106.9165 
1 1 1   -1    7   30 o  1293.62  103.311   27.188   4.1498   27.188   4.1498   0.0000   0.0000  1293.62  103.311  ?   ?  0.000000 103.3111 
1 1 1   -1    7   32 o  2672.74  124.391  118.182   10.410  118.182   10.410   0.0000   0.0000  2672.74  124.391  ?   ?  0.000000 124.3910 
1 1 1   -1    7   34 o  1107.93  106.221   20.354   3.6399   20.354   3.6399   0.0000   0.0000  1107.93  106.221  ?   ?  0.000000 106.2215 
1 1 1   -1    7   36 o  1661.30   98.209   45.367   5.0860   45.367   5.0860   0.0000   0.0000  1661.30   98.209  ?   ?  0.000000 98.20878 
1 1 1   -1    7   38 o  2785.17  120.017  129.661   10.467  129.661   10.467   0.0000   0.0000  2785.17  120.017  ?   ?  0.000000 120.0173 
1 1 1   -1    7   40 o  109.610   52.314  -0.6611   0.5012   1.2576   5.9221  -0.6749   0.5030  475.435  208.276  109.339   52.246 366.0960 214.7290 
1 1 1   -1    7   42 o  962.028  142.008   16.368   4.1491   0.0000   0.0000   16.368   4.1491  ?   ?   962.028  142.008 0.000000 142.0078 
1 1 1   -1    7   44 o  2307.07  183.121  102.018   13.120   0.0000   0.0000  102.018   13.120  ?   ?   2307.07  183.121 0.000000 183.1213 
1 1 1   -1    7   46 o  2442.61  196.086  120.603   14.871   0.0000   0.0000  120.603   14.871  ?   ?   2442.61  196.086 0.000000 196.0858 
1 1 1   -1    7   48 o  2672.36  143.845  133.829   11.992  135.095   18.072  132.832   16.031  2327.77  251.961  2442.00  211.741 -114.2346 329.1182 
1 1 1   -1    7   50 o  1531.07  116.457   43.734   5.5413   71.289   10.689   33.607   6.4800  1700.13  204.919  1233.35  172.513 466.7728 267.8666 
1 1 1   -1    7   52 f  1098.81  140.497   26.685   4.7233   37.917   10.357   23.736   5.3073  701.825  289.968  939.156  187.049 -237.3314 345.0634 
1 1 1   -1    7   54 o  724.612  194.611   17.932   4.5091  -0.4039   10.784   21.817   4.9639  ?   ?   798.857  199.143 0.000000 199.1427 
1 1 1   -1    7   56 o  291.144  127.513   2.4729   2.2186   0.8551   9.4659   2.5669   2.2822  ?   ?   293.254  128.859 0.000000 128.8591 
1 1 1   -1    7   58 o  463.188  177.010   12.535   3.5779   25.701   11.095   11.007   3.7799  ?   ?   392.142  169.128 0.000000 169.1283 
1 1 1   -1    7   60 o  369.632  179.804   34.779   6.6319   0.0000   0.0000   34.779   6.6319  ?   ?   369.632  179.804 0.000000 179.8037 
1 1 1   -1    8    1 o  2927.55  125.038  134.870   11.462   0.0000   0.0000  134.870   11.462  ?   ?   2927.55  125.038 0.000000 125.0383 
1 1 1   -1    8    3 f  2923.87  101.751  134.322   9.3157  137.939   16.146  132.517   11.405  2947.55  175.743  2901.47  125.537 46.07983 215.9753 
1 1 1   -1    8    5 o  1077.37   77.791   18.308   2.6067   15.425   4.5340   19.732   3.1858  976.826  153.281  1117.12   91.889 -140.2964 178.7136 
1 1 1   -1    8    7 o  3297.17  107.656  171.031   11.115  168.682   13.617  175.720   19.238  3270.29  132.981  3321.27  185.727 -50.97729 228.4260 
1 1 1   -1    8    9 o  1403.34   78.438   31.020   3.4329   31.105   4.2200   30.855   5.9029  1403.07   96.644  1390.94  137.324 12.12878 167.9218 
1 1 1   -1    8   11 o  2495.42  116.518   98.226   9.1045   98.226   9.1045   0.0000   0.0000  2495.42  116.518  ?   ?  0.000000 116.5179 
1 1 1   -1    8   13 o  3000.24  126.348  142.297   11.870  144.556   16.855  140.074   16.719  3004.07  180.012  2956.42  181.479 47.64893 255.6147 
1 1 1   -1    8   15 o  3317.42  137.259  174.445   14.258  167.250   20.228  181.549   20.100  3219.68  201.660  3359.62  191.867 -139.9343 278.3517 
1 1 1   -1    8   17 o  3169.62  132.807  159.369   13.181  156.087   18.721  162.596   18.561  3108.75  193.283  3175.98  187.471 -67.22583 269.2653 
1 1 1   -1    8   19 f  1292.90  143.616   26.967   5.7159   26.967   5.7159   0.0000   0.0000  1292.90  143.616  ?   ?  0.000000 143.6161 
1 1 1   -1    8   21 o  554.306  110.178   5.0463   1.8450   5.0463   1.8450   0.0000   0.0000  554.306  110.178  ?   ?  0.000000 110.1782 
1 1 1   -1    8   25 o  587.158   67.684   5.5180   1.2216   10.872   1.6052  -1.8497   1.8831  827.739   62.392  225.713  105.800 602.0259 122.8264 
1 1 1   -1    8   27 o  987.378   94.549   15.718   2.8874   15.718   2.8874   0.0000   0.0000  987.378   94.549  ?   ?  0.000000 94.54900 
1 1 1   -1    8   29 o  444.934   75.653   3.2313   1.0163   5.3788   1.4194   0.9727   1.4557  575.674   80.984  293.256  112.706 282.4179 138.7839 
1 1 1   -1    8   31 o  1567.46  105.549   40.050   5.1503   40.050   5.1503   0.0000   0.0000  1567.46  105.549  ?   ?  0.000000 105.5492 
1 1 1   -1    8   33 o  1543.94  106.413   39.220   5.1131   39.220   5.1131   0.0000   0.0000  1543.94  106.413  ?   ?  0.000000 106.4126 
1 1 1   -1    8   35 o  166.366   69.503   0.0967   0.6046  -0.4083   1.1723   0.2797   0.7056  202.961   90.593  190.659   76.833 12.30215 118.7873 
1 1 1   -1    8   37 o  585.598   71.428   5.5632   1.2826   12.511   1.9127  -0.1133   1.7289  882.027   69.826  261.127  113.499 620.8997 133.2575 
1 1 1   -1    8   39 o  357.787   94.014   2.1586   1.0670   4.0881   1.6216   0.6853   1.4170  489.457  108.639  272.730  109.240 216.7269 154.0643 
1 1 1   -1    8   41 o  1180.42   67.665   22.393   2.4906   46.570   3.6211   0.6875   3.4310  1704.75   67.836  377.443  161.939 1327.311 175.5734 
1 1 1   -1    8   43 o  211.878   88.719   0.1930   0.9882  -4.3033   6.9142   0.2867   0.9985  413.234  196.400  217.960   90.041 195.2744 216.0566 
1 1 1   -1    8   45 o  791.353  108.890   10.735   2.6267   47.032   7.8435   6.1499   2.7877  1598.17  158.840  572.512  152.697 1025.662 220.3324 
1 1 1   -1    8   47 o  683.911  140.461   8.6995   2.9073   11.512   8.2344   8.2989   3.1074  647.027  261.862  657.188  153.740 -10.16107 303.6574 
1 1 1   -1    8   49 o  940.314  147.715   17.463   4.2059   9.5257   9.6383   19.330   4.6744  536.654  247.351  975.190  158.526 -438.5363 293.7907 
1 1 1   -1    8   51 o  1472.87  375.401  120.383   17.364  120.383   17.364   0.0000   0.0000  1472.87  375.401  ?   ?  0.000000 375.4015 
1 1 1   -1    8   53 o  1222.71  145.268   35.568   5.4529   46.802   11.138   32.026   6.2537  655.949  286.534  1007.24  205.251 -351.2867 352.4620 
1 1 1   -1    8   55 o  397.551  153.503   5.4661   2.7097   0.0000   0.0000   5.4661   2.7097  ?   ?   397.551  153.503 0.000000 153.5033 
1 1 1   -1    8   57 o  442.936  174.449   10.424   3.5558   0.0000   0.0000   10.424   3.5558  ?   ?   442.936  174.449 0.000000 174.4494 
1 1 1   -1    8   59 o  422.175  173.878   13.241   3.7087   26.131   12.155   11.918   3.8944  ?   ?   367.074  164.390 0.000000 164.3901 
1 1 1   -1    9    2 o  3172.86   92.375  158.173   9.1775  161.380   12.977  154.964   12.981  3199.40  129.535  3134.68  132.249 64.71216 185.1192 
1 1 1   -1    9    4 o  884.564   77.592   12.376   2.1274   11.290   2.5937   14.610   3.7192  841.427  100.426  954.333  127.659 -112.9061 162.4259 
1 1 1   -1    9    6 o  2474.14   94.818   96.243   7.3457   94.140   12.741   97.290   8.9902  2430.35  168.464  2485.02  115.538 -54.67456 204.2773 
1 1 1   -1    9    8 o  493.894  111.759   3.9954   1.6880   3.4401   2.4682   4.4833   2.3137  470.148  149.247  523.349  138.886 -53.20111 203.8719 
1 1 1   -1    9   10 o  1017.25  142.771   16.691   4.4224   16.691   4.4224   0.0000   0.0000  1017.25  142.771  ?   ?  0.000000 142.7712 
1 1 1   -1    9   12 o  2300.49   92.260   83.268   6.6459   81.345   8.1551   87.072   11.467  2267.76  115.224  2336.29  157.676 -68.53101 195.2901 
1 1 1   -1    9   14 o  521.034   91.023   4.3959   1.4310   3.6256   1.7983   5.7256   2.3628  470.231  121.326  590.121  131.259 -119.8900 178.7424 
1 1 1   -1    9   16 o  455.827  109.767   3.4123   1.5480   3.4172   2.5708   3.4096   1.9389  470.344  152.636  457.858  129.466 12.48581 200.1484 
1 1 1   -1    9   18 o  2569.04  112.440  104.494   9.0450  115.773   12.914   93.634   12.672  2686.88  154.142  2409.58  169.028 277.2910 228.7580 
1 1 1   -1    9   20 o  1284.26   79.501   26.110   3.1813   25.707   3.9406   26.866   5.3908  1270.22   99.882  1289.56  135.530 -19.34875 168.3593 
1 1 1   -1    9   22 o  613.213  165.030   6.3424   3.2386   6.3424   3.2386   0.0000   0.0000  613.213  165.030  ?   ?  0.000000 165.0298 
1 1 1   -1    9   24 o  693.886   95.376   7.8039   2.0175   5.7089   2.7770   10.146   2.9359  580.656  151.233  785.008  123.521 -204.3518 195.2665 
1 1 1   -1    9   26 o  1809.55  112.091   52.852   6.3200   52.852   6.3200   0.0000   0.0000  1809.55  112.091  ?   ?  0.000000 112.0909 
1 1 1   -1    9   28 o  1293.73  109.838   27.173   4.4075   27.173   4.4075   0.0000   0.0000  1293.73  109.838  ?   ?  0.000000 109.8384 
1 1 1   -1    9   30 o  2008.66  105.884   65.481   6.6361   65.481   6.6361   0.0000   0.0000  2008.66  105.884  ?   ?  0.000000 105.8838 
1 1 1   -1    9   32 o  862.352  118.508   12.443   3.1154   12.443   3.1154   0.0000   0.0000  862.352  118.508  ?   ?  0.000000 118.5077 
1 1 1   -1    9   34 o  143.235   64.418  -0.2846   0.6049   4.5259   1.2308  -1.8164   0.6946  526.175   76.983  104.773   52.265 421.4023 93.04860 
1 1 1   -1    9   36 o  913.496  141.838   14.360   3.9255   14.360   3.9255   0.0000   0.0000  913.496  141.838  ?   ?  0.000000 141.8382 
1 1 1   -1    9   38 o  627.487   71.318   6.3677   1.3764   13.977   2.0470   0.0891   1.8594  932.919   70.598  278.301  119.303 654.6180 138.6268 
1 1 1   -1    9   40 o  1691.36  101.010   47.021   5.3251   47.021   5.3251   0.0000   0.0000  1691.36  101.010  ?   ?  0.000000 101.0100 
1 1 1   -1    9   42 o  430.951   89.285   3.1316   1.1652   6.8711   1.7262   0.0015   1.5793  644.182   87.870  252.753  109.166 391.4282 140.1372 
1 1 1   -1    9   44 o  1471.81  114.962   36.799   5.2561   36.799   5.2561   0.0000   0.0000  1471.81  114.962  ?   ?  0.000000 114.9617 
1 1 1   -1    9   46 o  120.097   57.409  -0.8028   0.6086   8.5420   7.7913  -0.8602   0.6104  610.736  251.838  118.327   56.810 492.4095 258.1660 
1 1 1   -1    9   48 o  ?   ?   -3.1669   0.3724   33.208   8.0932  -3.2441   0.3728  1191.69  225.141  ?   ?  0.000000 225.1406 
1 1 1   -1    9   50 o  484.174  229.775   9.2486   9.3962   9.2486   9.3962   0.0000   0.0000  484.174  229.775  ?   ?  0.000000 229.7747 
1 1 1   -1    9   52 o  470.333  151.776   5.5612   2.5446   22.020   9.6709   4.3369   2.6375  513.949  240.542  410.019  153.014 103.9300 285.0849 
1 1 1   -1    9   54 o  1254.61  154.397   41.080   5.9375   56.617   12.129   36.184   6.8090  594.795  275.314  961.472  229.374 -366.6768 358.3438 
1 1 1   -1    9   56 o  702.128  188.182   18.577   4.2213   38.217   11.957   15.780   4.5119  373.449  189.781  546.481  200.840 -173.0322 276.3214 
1 1 1   -1    9   58 o  1323.40  172.962   65.776   6.9959  130.153   14.090   44.713   8.0595  549.683  266.126  502.376  229.550 47.30704 351.4486 
1 1 1   -1   10    1 o  3956.31  106.394  246.368   13.180  248.701   18.639  244.036   18.640  3964.55  150.148  3926.79  151.600 37.75586 213.3701 
1 1 1   -1   10    3 o  4823.04  142.146  367.726   21.467  366.752   26.294  369.672   37.176  4804.85  174.766  4782.51  249.112 22.34033 304.3020 
1 1 1   -1   10    5 o  4162.00  127.745  273.387   16.648  271.973   20.391  276.216   28.832  4142.71  157.192  4144.15  223.011 -1.432617 272.8427 
1 1 1   -1   10    7 o  2266.73   91.060   80.783   6.4632   76.397   7.9129   89.573   11.203  2198.59  115.343  2373.41  151.531 -174.8223 190.4352 
1 1 1   -1   10    9 o  1915.18   73.862   57.592   4.4294   56.212   6.2507   58.985   6.2777  1886.22  106.265  1932.67  104.119 -46.44812 148.7718 
1 1 1   -1   10   11 o  1458.13   99.891   33.631   4.5333   33.308   6.4713   33.943   6.3524  1442.90  145.204  1457.61  140.941 -14.70386 202.3575 
1 1 1   -1   10   13 o  1160.58   98.405   21.367   3.5424   21.001   5.1480   21.695   4.8821  1141.28  147.507  1162.61  136.719 -21.33582 201.1229 
1 1 1   -1   10   15 o  1992.57  107.280   62.861   6.6688   62.997   9.5478   62.732   9.3186  1982.84  155.013  1979.64  151.480 3.197998 216.7375 
1 1 1   -1   10   17 o  2556.57  116.697  103.588   9.3418  106.700   13.326  100.582   13.100  2573.70  166.243  2497.58  168.492 76.11963 236.6987 
1 1 1   -1   10   19 o  1729.31  101.869   47.544   5.4917   50.342   7.9399   44.978   7.6040  1766.24  144.838  1668.08  147.088 98.16028 206.4292 
1 1 1   -1   10   21 o  902.363   99.013   13.081   2.7517   15.080   4.1664   11.534   3.6646  957.394  143.395  834.314  145.569 123.0797 204.3340 
1 1 1   -1   10   23 o  1670.96   85.611   44.397   4.4643   41.853   5.5007   49.308   7.6412  1614.34  109.467  1738.65  141.585 -124.3104 178.9678 
1 1 1   -1   10   25 o  2347.36  113.640   88.507   8.3527   86.801   11.793   90.224   11.832  2287.26  165.787  2334.36  162.896 -47.10791 232.4224 
1 1 1   -1   10   27 o  880.308  109.959   12.647   2.9649   12.647   2.9649   0.0000   0.0000  880.308  109.959  ?   ?  0.000000 109.9594 
1 1 1   -1   10   29 o  531.411  141.287   4.8312   2.3915   4.8312   2.3915   0.0000   0.0000  531.411  141.287  ?   ?  0.000000 141.2867 
1 1 1   -1   10   31 o  1164.54  141.557   22.939   5.0557   22.939   5.0557   0.0000   0.0000  1164.54  141.557  ?   ?  0.000000 141.5573 
1 1 1   -1   10   33 o  548.454  144.301   5.2541   2.5116   5.2541   2.5116   0.0000   0.0000  548.454  144.301  ?   ?  0.000000 144.3006 
1 1 1   -1   10   35 o  1789.72   83.676   51.423   4.6892   54.205   5.9323   46.788   7.6557  1822.38  104.395  1658.11  149.045 164.2742 181.9692 
1 1 1   -1   10   37 o  1320.63   89.560   28.229   3.6816   27.379   4.7760   29.473   5.7794  1283.97  120.193  1317.85  142.316 -33.87878 186.2793 
1 1 1   -1   10   39 o  718.993  125.625   8.8168   2.7253   8.8168   2.7253   0.0000   0.0000  718.993  125.625  ?   ?  0.000000 125.6254 
1 1 1   -1   10   41 o  2235.57  111.607   82.885   7.8126   82.885   7.8126   0.0000   0.0000  2235.57  111.607  ?   ?  0.000000 111.6070 
1 1 1   -1   10   43 f  660.975  138.452   7.7641   2.7737   7.7641   2.7737   0.0000   0.0000  660.975  138.452  ?   ?  0.000000 138.4523 
1 1 1   -1   10   45 o  1296.01  118.833   28.806   4.7687   28.806   4.7687   0.0000   0.0000  1296.01  118.833  ?   ?  0.000000 118.8328 
1 1 1   -1   10   47 o  344.954   96.389   2.0711   1.0814   7.0693   1.6206  -1.9411   1.4519  649.994   81.409  180.811   87.012 469.1833 119.1573 
1 1 1   -1   10   49 o  568.487  254.223   13.173   9.2778   13.173   9.2778   0.0000   0.0000  568.487  254.223  ?   ?  0.000000 254.2231 
1 1 1   -1   10   51 f  ?   ?   -4.0359   0.3855   0.0000   0.0000  -4.0359   0.3855  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1   10   53 o  ?   ?   -2.8325   0.4388   0.0000   0.0000  -2.8325   0.4388  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1   10   55 o  309.608  130.666   2.5078   2.1711   10.275   11.110   2.1995   2.2137  ?   ?   298.837  129.158 0.000000 129.1577 
1 1 1   -1   10   57 o  832.926  229.435   36.440   6.1747   30.112   13.379   38.153   6.9603  ?   ?   689.403  250.042 0.000000 250.0424 
1 1 1   -1   11    2 o  3916.78  150.383  242.777   18.444  242.777   18.444   0.0000   0.0000  3916.78  150.383  ?   ?  0.000000 150.3835 
1 1 1   -1   11    4 o  3022.76  105.137  143.821   9.9512  152.667   12.182  126.078   17.253  3110.89  125.058  2804.67  197.716 306.2163 233.9471 
1 1 1   -1   11    6 o  2605.66   83.834  106.673   6.8399  104.781   9.6577  108.576   9.6886  2577.75  119.651  2624.28  117.906 -46.53101 167.9824 
1 1 1   -1   11    8 f  2607.83   83.993  106.873   6.8586  108.288   9.6823  105.448   9.7169  2620.27  118.009  2585.36  120.030 34.91064 168.3249 
1 1 1   -1   11   10 o  1430.07   70.470   32.110   3.1556   34.449   4.4463   29.736   4.4793  1476.28   96.720  1369.85  105.233 106.4324 142.9294 
1 1 1   -1   11   12 o  1222.75   79.262   23.600   3.0184   23.152   3.6961   24.498   5.2297  1208.32   98.548  1236.06  137.449 -27.74243 169.1268 
1 1 1   -1   11   14 o  1780.58   86.079   49.916   4.7993   49.685   5.8883   50.374   8.2834  1770.67  106.701  1772.50  150.675 -1.830566 184.6299 
1 1 1   -1   11   16 o  1046.21   95.943   17.426   3.1080   20.113   4.5665   15.108   4.2422  1116.63  133.234  962.727  145.244 153.9061 197.0963 
1 1 1   -1   11   18 o  1194.21  103.390   22.771   3.8280   18.489   5.5856   26.564   5.2565  1055.27  175.185  1282.89  132.777 -227.6256 219.8167 
1 1 1   -1   11   20 o  420.410  130.974   2.8255   1.9095   0.0000   0.0000   2.8255   1.9095  ?   ?   420.410  130.974 0.000000 130.9737 
1 1 1   -1   11   22 o  659.649  136.343   7.2636   2.7231   0.0000   4.7404   10.841   3.3268  438.641  189.292  809.710  136.038 -371.0690 233.1046 
1 1 1   -1   11   24 o  2385.62   95.025   90.598   7.0983   91.447   8.7779   88.992   12.066  2386.41  117.471  2319.52  167.256 66.88184 204.3867 
1 1 1   -1   11   26 o  1063.19  141.016   18.725   4.5787   0.0000   0.0000   18.725   4.5787  ?   ?   1063.19  141.016 0.000000 141.0158 
1 1 1   -1   11   28 o  1642.98  101.908   43.545   5.2169   40.017   7.3633   47.101   7.3923  1545.85  154.178  1686.65  141.272 -140.8015 209.1139 
1 1 1   -1   11   30 f  732.880   92.100   8.7537   2.0668   7.8984   2.7052   9.9532   3.2035  682.257  131.397  764.846  138.877 -82.58881 191.1856 
1 1 1   -1   11   32 o  3074.92  122.666  155.456   11.811  155.456   11.811   0.0000   0.0000  3074.92  122.666  ?   ?  0.000000 122.6661 
1 1 1   -1   11   34 o  371.534  125.787   2.1540   1.7417   2.1540   1.7417   0.0000   0.0000  371.534  125.787  ?   ?  0.000000 125.7868 
1 1 1   -1   11   36 o  1080.96  124.188   19.434   4.1271   19.434   4.1271   0.0000   0.0000  1080.96  124.188  ?   ?  0.000000 124.1885 
1 1 1   -1   11   38 o  726.412  127.024   8.9571   2.7840   8.9571   2.7840   0.0000   0.0000  726.412  127.024  ?   ?  0.000000 127.0236 
1 1 1   -1   11   40 o  2447.86  129.089  100.656   9.8595  100.656   9.8595   0.0000   0.0000  2447.86  129.089  ?   ?  0.000000 129.0895 
1 1 1   -1   11   42 o  2794.20  117.515  130.371   10.282  130.371   10.282   0.0000   0.0000  2794.20  117.515  ?   ?  0.000000 117.5150 
1 1 1   -1   11   44 o  2641.85  119.312  117.899   9.8698  117.899   9.8698   0.0000   0.0000  2641.85  119.312  ?   ?  0.000000 119.3120 
1 1 1   -1   11   46 o  1509.03  116.569   39.314   5.4654   39.314   5.4654   0.0000   0.0000  1509.03  116.569  ?   ?  0.000000 116.5693 
1 1 1   -1   11   48 o  436.896  134.955   3.6851   2.0323   3.6851   2.0323   0.0000   0.0000  436.896  134.955  ?   ?  0.000000 134.9547 
1 1 1   -1   11   50 o  912.864  164.712   18.588   4.5349   18.588   4.5349   0.0000   0.0000  912.864  164.712  ?   ?  0.000000 164.7115 
1 1 1   -1   11   52 o  474.560  232.234   22.288   11.551   22.288   11.551   0.0000   0.0000  474.560  232.234  ?   ?  0.000000 232.2345 
1 1 1   -1   11   54 o  377.870  190.960   15.350   10.960   15.350   10.960   0.0000   0.0000  377.870  190.960  ?   ?  0.000000 190.9598 
1 1 1   -1   11   56 o  ?   ?   -3.5747   11.697  -3.5747   11.697   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1   11   58 o  ?   ?    51.326   15.381   51.326   15.381   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1   12    1 o  2152.28   77.715   72.740   5.2375   75.237   7.4005   70.235   7.4133  2185.88  108.123  2108.49  112.694 77.39063 156.1746 
1 1 1   -1   12    3 o  1316.50   70.137   27.279   2.8808   27.707   4.0731   26.850   4.0751  1323.41   99.008  1302.43  100.707 20.98132 141.2250 
1 1 1   -1   12    5 o  1211.22   80.808   23.148   3.0471   22.854   3.7193   23.748   5.3142  1201.01   99.804  1217.24  142.101 -16.23340 173.6478 
1 1 1   -1   12    7 o  1305.42   79.645   26.872   3.2400   24.763   3.9295   31.351   5.7260  1250.07  101.260  1402.34  131.953 -152.2710 166.3282 
1 1 1   -1   12    9 o  3151.39  106.612  156.553   10.520  157.133   12.865  155.382   18.279  3151.91  130.348  3111.80  188.481 40.11353 229.1633 
1 1 1   -1   12   11 o  1974.06   75.052   61.247   4.6392   58.095   6.5312   64.457   6.5907  1915.41  109.351  2018.82  104.619 -103.4076 151.3361 
1 1 1   -1   12   13 o  1626.55  100.398   41.918   5.0884   41.918   5.0884   0.0000   0.0000  1626.55  100.398  ?   ?  0.000000 100.3983 
1 1 1   -1   12   15 o  812.410  108.290   10.631   2.6861   10.343   3.9758   10.873   3.6435  788.034  166.348  812.522  148.687 -24.48755 223.1129 
1 1 1   -1   12   17 o  1288.85  100.184   26.470   4.0114   34.099   6.2098   21.006   5.2549  1453.33  138.117  1133.70  151.844 319.6288 205.2632 
1 1 1   -1   12   19 f  1885.78  107.066   56.735   6.2960   60.771   9.2894   53.306   8.5627  1932.70  154.798  1810.42  152.468 122.2834 217.2761 
1 1 1   -1   12   21 o  671.849  159.508   7.6224   3.3055   0.0000   0.0000   7.6224   3.3055  ?   ?   671.849  159.508 0.000000 159.5077 
1 1 1   -1   12   23 f  1429.53  145.929   33.470   6.4405   0.0000   0.0000   33.470   6.4405  ?   ?   1429.53  145.929 0.000000 145.9291 
1 1 1   -1   12   25 o  1603.96  119.595   41.635   5.9634   29.691   9.0396   50.838   7.9349  1295.90  231.254  1760.09  145.274 -464.1908 273.0990 
1 1 1   -1   12   27 o  1516.78  112.147   37.290   5.2886   34.412   8.1249   39.405   6.9663  1414.52  188.104  1541.63  146.056 -127.1051 238.1496 
1 1 1   -1   12   29 o  964.228   89.318   15.000   2.6661   15.623   3.4575   14.087   4.1873  974.802  115.521  909.312  152.460 65.49042 191.2831 
1 1 1   -1   12   31 o  1426.04   84.851   32.624   3.7717   34.507   4.8142   29.630   6.0692  1456.97  106.258  1326.35  148.696 130.6189 182.7598 
1 1 1   -1   12   33 o  467.678  111.771   3.6822   1.6145   4.2034   2.1575   3.0189   2.4340  496.866  135.108  437.115  148.696 59.75107 200.9095 
1 1 1   -1   12   35 o  926.505   86.743   13.848   2.4872   13.838   3.2416   13.863   3.8783  915.953  115.599  905.912  141.335 10.04095 182.5890 
1 1 1   -1   12   37 o  2384.56  116.459   92.964   8.6956   92.964   8.6956   0.0000   0.0000  2384.56  116.459  ?   ?  0.000000 116.4593 
1 1 1   -1   12   39 o  1498.05  121.256   37.278   5.6391   37.278   5.6391   0.0000   0.0000  1498.05  121.256  ?   ?  0.000000 121.2563 
1 1 1   -1   12   41 o  1403.61   88.974   32.000   3.8902   30.898   5.0591   33.596   6.0851  1359.27  120.100  1401.74  140.531 -42.46399 184.8600 
1 1 1   -1   12   43 o  1081.31  147.664   20.496   4.8690   20.496   4.8690   0.0000   0.0000  1081.31  147.664  ?   ?  0.000000 147.6636 
1 1 1   -1   12   45 o  335.983  126.485   1.6059   1.8100   1.6059   1.8100   0.0000   0.0000  335.983  126.485  ?   ?  0.000000 126.4853 
1 1 1   -1   12   47 o  1237.22  115.850   27.091   4.4358   27.091   4.4358   0.0000   0.0000  1237.22  115.850  ?   ?  0.000000 115.8503 
1 1 1   -1   12   49 o  1324.12  135.149   34.293   5.5249   34.293   5.5249   0.0000   0.0000  1324.12  135.149  ?   ?  0.000000 135.1488 
1 1 1   -1   12   51 o  371.956  132.736   2.9391   1.9524   2.9391   1.9524   0.0000   0.0000  371.956  132.736  ?   ?  0.000000 132.7365 
1 1 1   -1   12   53 o  777.733  160.270   15.201   3.7732   15.201   3.7732   0.0000   0.0000  777.733  160.270  ?   ?  0.000000 160.2702 
1 1 1   -1   12   55 o  ?   ?  -19.9994   11.776 -19.9994   11.776   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1   12   57 o  ?   ?    48.882   14.947   48.882   14.947   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   -1   13    2 o  3131.99   92.304  154.301   9.0523  158.136   12.797  150.460   12.807  3163.56  129.187  3085.08  132.571 78.48291 185.1064 
1 1 1   -1   13    4 o  498.637   91.223   4.0329   1.3718   4.9934   1.9358   3.0639   1.9443  552.476  115.612  438.059  131.345 114.4168 174.9787 
1 1 1   -1   13    6 o  788.976   74.266   9.8645   1.8131   9.4582   2.5336   10.291   2.5959  767.058  108.512  801.144  106.090 -34.08612 151.7566 
1 1 1   -1   13    8 o  745.264   83.740   8.8457   1.9203   8.3099   2.3064   10.057   3.4672  718.326  105.700  783.520  146.715 -65.19464 180.8255 
1 1 1   -1   13   10 o  1910.25   86.988   57.462   5.2032   57.764   6.3476   56.845   9.0841  1909.61  106.581  1882.01  155.543 27.59668 188.5559 
1 1 1   -1   13   12 o  958.103   86.764   14.584   2.5747   16.491   3.2044   11.111   4.3250  1016.65  102.036  816.719  174.423 199.9341 202.0765 
1 1 1   -1   13   14 o  3270.87  199.554  174.926   20.340  174.926   20.340   0.0000   0.0000  3270.87  199.554  ?   ?  0.000000 199.5541 
1 1 1   -1   13   16 o  1784.97  104.141   50.687   5.7954   49.752   8.1222   51.657   8.2716  1753.81  149.324  1787.36  149.158 -33.54846 211.0583 
1 1 1   -1   13   18 o  982.268   98.024   15.442   2.9747   13.935   4.0858   17.143   4.3393  920.067  146.752  1024.93  138.779 -104.8579 201.9797 
1 1 1   -1   13   20 o  1615.38   99.538   41.584   5.0103   35.157   6.9785   48.421   7.1978  1466.47  154.290  1731.79  133.772 -265.3206 204.2065 
1 1 1   -1   13   22 o  1258.58  147.303   25.973   5.6953   0.0000   0.0000   25.973   5.6953  ?   ?   1258.58  147.303 0.000000 147.3029 
1 1 1   -1   13   24 o  2119.72  118.255   72.390   7.8178   69.131   11.541   75.154   10.627  2031.74  183.391  2135.25  160.113 -103.5060 243.4508 
1 1 1   -1   13   26 o  1537.17  113.005   38.238   5.4011   36.107   8.2471   39.838   7.1470  1454.83  185.241  1551.00  148.996 -96.17090 237.7270 
1 1 1   -1   13   28 o  1285.62  118.445   26.995   4.7145   22.600   7.6301   29.709   5.9960  1117.11  225.894  1335.50  145.750 -218.3878 268.8330 
1 1 1   -1   13   30 o  3040.92  206.547  161.262   19.551  161.262   19.551   0.0000   0.0000  3040.92  206.547  ?   ?  0.000000 206.5471 
1 1 1   -1   13   32 o  465.801  149.587   3.5469   2.4740   6.9230   5.9294   2.8353   2.7223  646.313  231.248  438.243  156.700 208.0702 279.3391 
1 1 1   -1   13   34 o  1467.59   88.728   34.530   4.0583   36.335   5.1787   31.658   6.5327  1495.68  111.376  1372.83  154.665 122.8552 190.5936 
1 1 1   -1   13   36 o  428.575  121.171   3.0828   1.6985   2.9177   2.3610   3.2599   2.4453  430.213  146.449  449.033  149.018 -18.82016 208.9345 
1 1 1   -1   13   38 o  2825.65   97.048  128.931   8.5866  141.171   10.770  107.581   14.225  2936.38  117.138  2479.73  184.518 456.6516 218.5594 
1 1 1   -1   13   40 o  289.305  112.152   0.9387   1.4509  -0.2102   1.9193   2.4707   2.2163  272.572  119.009  400.764  141.593 -128.1912 184.9641 
1 1 1   -1   13   42 o  2158.36   91.800   75.578   6.2042   78.420   7.8855   70.959   10.052  2173.17  116.304  2015.78  160.582 157.3876 198.2754 
1 1 1   -1   13   44 o  2378.63  111.158   94.612   8.2791   94.612   8.2791   0.0000   0.0000  2378.63  111.158  ?   ?  0.000000 111.1577 
1 1 1   -1   13   46 o  1293.81  128.448   29.855   5.1349   29.855   5.1349   0.0000   0.0000  1293.81  128.448  ?   ?  0.000000 128.4476 
1 1 1   -1   13   48 o  1128.55  123.548   23.600   4.2946   23.600   4.2946   0.0000   0.0000  1128.55  123.548  ?   ?  0.000000 123.5478 
1 1 1   -1   13   50 o  1409.06  134.798   39.976   5.8748   39.976   5.8748   0.0000   0.0000  1409.06  134.798  ?   ?  0.000000 134.7979 
1 1 1   -1   13   52 o  505.595  157.331   6.4346   2.7563   6.4346   2.7563   0.0000   0.0000  505.595  157.331  ?   ?  0.000000 157.3307 
1 1 1   -1   13   54 o  510.223  148.238   6.7674   2.5091   6.7674   2.5091   0.0000   0.0000  510.223  148.238  ?   ?  0.000000 148.2382 
1 1 1   -1   14    1 o  843.121   74.980   11.258   1.9588   12.103   2.7764   10.422   2.7640  870.027  103.974  804.845  112.772 65.18213 153.3890 
1 1 1   -1   14    3 o  1946.96   76.182   59.583   4.6444   58.556   6.5506   60.621   6.5858  1923.08  109.236  1957.06  107.886 -33.98096 153.5313 
1 1 1   -1   14    5 o  1022.27   72.633   16.505   2.3098   18.242   3.2518   14.737   3.2816  1071.32   98.023  959.681  111.269 111.6372 148.2877 
1 1 1   -1   14    7 o  1615.29   85.075   41.191   4.2878   44.136   5.2327   35.172   7.4807  1669.51  100.566  1474.80  164.809 194.7135 193.0688 
1 1 1   -1   14    9 o  1437.70   85.021   32.672   3.8105   40.357   7.1208   29.588   4.5106  1585.15  145.072  1364.15  106.440 221.0044 179.9323 
1 1 1   -1   14   11 o  1604.84   84.381   40.703   4.2254   40.311   7.1662   40.912   5.2316  1582.38  146.286  1604.95  104.674 -22.56384 179.8781 
1 1 1   -1   14   13 o  513.930  122.869   4.3657   1.9505   5.5653   2.5045   2.5167   3.1094  579.022  139.734  446.679  166.249 132.3432 217.1739 
1 1 1   -1   14   15 o  992.715  141.306   16.071   4.2684   16.071   4.2684   0.0000   0.0000  992.715  141.306  ?   ?  0.000000 141.3064 
1 1 1   -1   14   17 o  1667.86  107.886   44.346   5.6042   44.346   5.6042   0.0000   0.0000  1667.86  107.886  ?   ?  0.000000 107.8863 
1 1 1   -1   14   19 o  895.951  122.163   13.040   3.3379   13.040   3.3379   0.0000   0.0000  895.951  122.163  ?   ?  0.000000 122.1630 
1 1 1   -1   14   21 o  634.897  154.330   6.7885   3.0382   3.1230   5.3797   8.5051   3.6815  541.086  214.108  708.483  168.423 -167.3975 272.4123 
1 1 1   -1   14   23 o  622.992  113.494   6.3959   2.1324   8.8098   2.6822   2.2490   3.5155  731.685  121.320  447.985  174.323 283.7004 212.3840 
1 1 1   -1   14   25 o  1122.26  114.160   20.440   3.9558   30.752   6.6938   14.907   4.9037  1357.85  160.543  934.351  174.012 423.4967 236.7577 
1 1 1   -1   14   27 o  1344.89  151.702   30.089   6.2768   0.0000   0.0000   30.089   6.2768  ?   ?   1344.89  151.702 0.000000 151.7024 
1 1 1   -1   14   29 o  903.371   96.907   13.184   2.6984   13.017   3.4635   13.443   4.3042  887.474  128.365  889.874  160.370 -2.399780 205.4171 
1 1 1   -1   14   31 o  1452.98   89.256   33.748   4.0412   36.595   5.1221   29.054   6.5771  1505.60  109.394  1316.27  163.069 189.3329 196.3631 
1 1 1   -1   14   33 o  2482.75  122.860   99.858   9.5512  103.176   14.144   97.077   12.950  2467.07  184.433  2403.52  173.226 63.55005 253.0267 
1 1 1   -1   14   35 o  1284.34  123.014   27.048   4.8866   25.378   8.3987   27.903   6.0083  1176.96  236.106  1290.00  151.639 -113.0388 280.6075 
1 1 1   -1   14   37 o  3332.24  225.736  200.418   23.415  200.418   23.415   0.0000   0.0000  3332.24  225.736  ?   ?  0.000000 225.7363 
1 1 1   -1   14   39 o  1196.41  126.513   23.811   4.6676   23.811   4.6676   0.0000   0.0000  1196.41  126.513  ?   ?  0.000000 126.5128 
1 1 1   -1   14   41 o  2395.67   95.307   92.944   7.1494   94.900   9.0355   89.668   11.692  2394.10  120.920  2274.27  165.315 119.8289 204.8187 
1 1 1   -1   14   43 o  582.920  120.848   5.8709   2.1334   4.2784   2.7978   8.0829   3.2975  492.460  159.174  666.754  159.988 -174.2946 225.6826 
1 1 1   -1   14   45 o  2172.25  129.899   82.840   8.7950   82.840   8.7950   0.0000   0.0000  2172.25  129.899  ?   ?  0.000000 129.8987 
1 1 1   -1   14   47 f  620.894  158.829   7.8138   3.1004   7.8138   3.1004   0.0000   0.0000  620.894  158.829  ?   ?  0.000000 158.8293 
1 1 1   -1   14   49 o  390.063  142.005   3.0118   2.2480   3.0118   2.2480   0.0000   0.0000  390.063  142.005  ?   ?  0.000000 142.0048 
1 1 1   -1   14   51 o  339.440  134.848   2.1979   2.1418   2.1979   2.1418   0.0000   0.0000  339.440  134.848  ?   ?  0.000000 134.8483 
1 1 1   -1   14   55 o  430.379  159.591   5.9627   2.8602   5.9627   2.8602   0.0000   0.0000  430.379  159.591  ?   ?  0.000000 159.5913 
1 1 1   -1   15    2 o  993.588   74.475   15.610   2.3002   17.394   3.3097   13.943   3.1991  1044.82  102.484  932.656  111.769 112.1643 151.6423 
1 1 1   -1   15    4 o  1963.18   77.126   60.631   4.7411   63.570   6.7625   57.791   6.6488  2002.70  108.241  1908.45  111.749 94.25098 155.5761 
1 1 1   -1   15    6 o  1878.01   86.614   55.569   5.0933   59.741   6.2750   47.513   8.7201  1941.91  103.572  1715.22  164.374 226.6885 194.2831 
1 1 1   -1   15    8 o  1609.91   85.473   40.956   4.2933   44.015   7.2881   39.330   5.3130  1656.11  141.913  1573.07  108.527 83.04565 178.6542 
1 1 1   -1   15   10 f  812.282   85.920   10.516   2.1522   8.0047   3.4022   12.191   2.7788  693.320  159.968  872.025  103.809 -178.7050 190.6987 
1 1 1   -1   15   12 o  1512.94   73.623   36.031   3.4878   37.907   5.0124   34.270   4.8563  1544.25  104.272  1467.50  106.408 76.74695 148.9807 
1 1 1   -1   15   14 o  630.993   99.675   6.4482   1.9040   3.8913   2.3502   11.330   3.2476  488.883  143.881  834.253  128.444 -345.3696 192.8721 
1 1 1   -1   15   16 o  1902.54  101.963   57.506   6.0522   57.506   6.0522   0.0000   0.0000  1902.54  101.963  ?   ?  0.000000 101.9630 
1 1 1   -1   15   18 o  488.621  123.223   3.9562   1.8850   3.3598   2.2497   5.3614   3.4533  457.771  142.087  572.350  175.774 -114.5784 226.0207 
1 1 1   -1   15   20 o  1852.91  111.753   54.911   6.4535   54.911   6.4535   0.0000   0.0000  1852.91  111.753  ?   ?  0.000000 111.7529 
1 1 1   -1   15   22 o  947.515  113.750   14.553   3.3074   14.553   3.3074   0.0000   0.0000  947.515  113.750  ?   ?  0.000000 113.7499 
1 1 1   -1   15   24 o  1249.46  203.191   26.837   7.6764   26.837   7.6764   0.0000   0.0000  1249.46  203.191  ?   ?  0.000000 203.1905 
1 1 1   -1   15   26 o  1708.56   90.885   46.560   4.8448   45.686   6.0406   48.137   8.1115  1683.00  115.320  1709.06  153.201 -26.05811 191.7529 
1 1 1   -1   15   28 o  507.627  139.309   4.3169   2.2814   4.3765   3.1041   4.2469   3.3643  519.184  167.645  518.353  174.826 0.8309326 242.2171 
1 1 1   -1   15   30 o  1575.97  122.619   40.216   6.0033   33.698   9.5211   44.517   7.7345  1387.83  226.942  1644.43  151.928 -256.6011 273.1017 
1 1 1   -1   15   32 o  604.474  161.867   6.2339   3.1249   16.297   6.6931   3.4288   3.5337  954.581  227.202  489.018  178.039 465.5627 288.6497 
1 1 1   -1   15   34 o  303.522  134.054  -0.5937   2.4997   14.370   6.4544  -3.2342   2.7113  889.206  230.062  258.095  122.760 631.1104 260.7656 
1 1 1   -1   15   36 o  2388.21   98.550   91.543   7.3697   86.768   9.1986  100.102   12.315  2302.61  128.087  2442.69  161.924 -140.0798 206.4605 
1 1 1   -1   15   38 o  1792.58  121.314   52.656   6.7693   55.586   10.983   50.861   8.5962  1775.98  201.035  1733.48  160.181 42.50757 257.0466 
1 1 1   -1   15   40 o  1441.41  133.427   34.694   5.9538   28.144   10.760   37.584   7.1477  1162.61  295.071  1484.07  156.157 -321.4657 333.8436 
1 1 1   -1   15   42 o  599.221  176.893   6.5636   3.5476   11.921   9.3951   5.6727   3.8313  748.969  286.689  561.761  186.532 187.2085 342.0302 
1 1 1   -1   15   44 o  1686.96   98.085   47.346   5.1588   41.680   6.6464   55.933   8.1818  1537.13  139.612  1768.07  149.178 -230.9445 204.3172 
1 1 1   -1   15   46 o  358.741  142.257   1.8381   2.3796   1.8381   2.3796   0.0000   0.0000  358.741  142.257  ?   ?  0.000000 142.2571 
1 1 1   -1   15   48 o  382.617  150.305   2.5832   2.6333   2.5832   2.6333   0.0000   0.0000  382.617  150.305  ?   ?  0.000000 150.3047 
1 1 1   -1   15   50 o  592.232  176.973   8.5430   3.5343   8.5430   3.5343   0.0000   0.0000  592.232  176.973  ?   ?  0.000000 176.9735 
1 1 1   -1   15   52 o  680.359  308.850   53.427   14.291   53.427   14.291   0.0000   0.0000  680.359  308.850  ?   ?  0.000000 308.8501 
1 1 1   -1   15   54 o  278.373  120.494   1.1646   1.9325   1.1646   1.9325   0.0000   0.0000  278.373  120.494  ?   ?  0.000000 120.4940 
1 1 1   -1   16    1 o  810.559   84.056   10.455   2.1024   12.023   3.3185   9.4040   2.7172  861.830  126.758  762.104  117.654 99.72601 172.9454 
1 1 1   -1   16    3 f  2139.34   89.610   72.132   6.0028   90.825   10.553   63.190   7.2987  2384.71  141.967  1994.31  117.396 390.4025 184.2187 
1 1 1   -1   16    5 o  1705.21  107.062   46.139   5.6875   55.108   8.0240   37.083   8.0627  1856.12  139.071  1510.82  173.585 345.2998 222.4247 
1 1 1   -1   16    7 o  919.823   79.084   13.415   2.2556   11.908   3.2589   14.800   3.1251  857.726  125.018  962.072  105.467 -104.3465 163.5627 
1 1 1   -1   16    9 o  770.197   82.704   9.4498   1.9633   8.1213   2.7821   10.768   2.7710  703.967  131.036  817.554  111.123 -113.5870 171.8101 
1 1 1   -1   16   11 o  1307.96   73.772   27.006   3.0091   27.015   4.3014   26.997   4.2110  1302.44  106.399  1302.47  104.122 -0.3186035E-01 148.8697 
1 1 1   -1   16   13 o  193.706   93.514  -2.6959   1.7102   1.6719   4.2917  -3.5204   1.8646  467.071  189.042  191.834   93.757 275.2368 211.0148 
1 1 1   -1   16   15 o  1708.19   82.933   46.030   4.4359   47.734   5.4910   42.828   7.5262  1733.40  101.610  1627.72  149.331 105.6744 180.6222 
1 1 1   -1   16   17 o  504.571  123.919   4.2195   1.9436   3.7173   2.3152   5.4183   3.5769  478.288  143.307  576.748  179.186 -98.46002 229.4440 
1 1 1   -1   16   19 o  669.975  132.705   7.4376   2.6855   7.4376   2.6855   0.0000   0.0000  669.975  132.705  ?   ?  0.000000 132.7047 
1 1 1   -1   16   21 o  348.049  124.802   1.6653   1.7279   0.7133   2.0484   4.0135   3.2173  320.732  130.324  507.841  170.965 -187.1090 214.9726 
1 1 1   -1   16   23 o  458.168  140.617   3.4096   2.2104   1.4936   2.8316   6.3985   3.5367  392.866  155.374  615.326  175.156 -222.4601 234.1384 
1 1 1   -1   16   25 o  2486.42  128.558   99.656   9.9748   99.656   9.9748   0.0000   0.0000  2486.42  128.558  ?   ?  0.000000 128.5579 
1 1 1   -1   16   27 o  346.369  142.268   0.7226   2.4744   0.7226   2.4744   0.0000   0.0000  346.369  142.268  ?   ?  0.000000 142.2678 
1 1 1   -1   16   31 o  812.573  113.416   10.764   2.8071   10.718   3.5601   10.840   4.5638  800.605  147.447  792.935  186.870 7.670105 238.0355 
1 1 1   -1   16   33 o  2313.95  100.456   85.544   7.2786   85.071   9.0679   86.402   12.204  2290.74  126.914  2276.16  172.513 14.58472 214.1678 
1 1 1   -1   16   35 o  2080.71   98.494   69.275   6.4171   70.912   8.0500   66.420   10.628  2089.00  123.617  1987.70  172.474 101.3010 212.1991 
1 1 1   -1   16   37 o  2700.99  109.237  117.648   9.2387  114.187   11.478  124.015   15.570  2633.57  139.686  2695.25  185.617 -61.67920 232.3051 
1 1 1   -1   16   39 o  2702.59  104.177  118.008   8.8159  111.732   11.004  129.257   14.732  2598.93  135.685  2752.19  171.809 -153.2549 218.9264 
1 1 1   -1   16   41 o  2036.07   98.500   67.323   6.2798   63.877   7.9600   73.002   10.220  1953.11  130.915  2056.25  159.982 -103.1389 206.7191 
1 1 1   -1   16   43 o  1184.18  176.352   25.982   6.3396   0.0000   0.0000   25.982   6.3396  ?   ?   1184.18  176.352 0.000000 176.3522 
1 1 1   -1   16   47 o  966.344  201.120   20.761   5.8876   0.0000   0.0000   20.761   5.8876  ?   ?   966.344  201.120 0.000000 201.1198 
1 1 1   -1   16   49 o  802.927  166.848   13.874   4.0578   13.874   4.0578   0.0000   0.0000  802.927  166.848  ?   ?  0.000000 166.8478 
1 1 1   -1   16   51 o  413.496  207.932   0.8300   12.108   0.8300   12.108   0.0000   0.0000  413.496  207.932  ?   ?  0.000000 207.9324 
1 1 1   -1   16   53 o  690.628  183.070   13.114   4.0230   13.114   4.0230   0.0000   0.0000  690.628  183.070  ?   ?  0.000000 183.0700 
1 1 1   -1   17    2 o  834.296  115.577   11.216   2.9382   0.0000   0.0000   11.216   2.9382  ?   ?   834.296  115.577 0.000000 115.5771 
1 1 1   -1   17    4 o  1591.64  106.631   40.202   5.2836   49.183   7.7446   32.382   7.2265  1752.58  142.354  1413.31  166.490 339.2734 219.0516 
1 1 1   -1   17    6 o  1589.90   75.393   39.763   3.7534   46.227   5.4844   34.067   5.1477  1707.77  103.043  1463.08  113.246 244.6892 153.1096 
1 1 1   -1   17    8 o  1731.80   78.121   47.203   4.2362   51.505   5.9995   42.925   5.9824  1801.82  106.815  1642.08  117.118 159.7432 158.5116 
1 1 1   -1   17   10 o  1814.96   78.491   51.864   4.4607   57.663   6.2160   45.707   6.4051  1906.84  104.505  1693.00  121.633 213.8354 160.3622 
1 1 1   -1   17   12 o  282.884  125.960  -0.8367   2.2514  -2.6386   4.3844  -0.1913   2.6238  372.203  169.773  327.292  141.035 44.91122 220.7120 
1 1 1   -1   17   14 o  242.550  112.748  -1.8243   2.0670  -2.4794   4.8285  -1.6773   2.2872  396.936  179.931  263.007  120.953 133.9289 216.8058 
1 1 1   -1   17   16 o  836.576   98.565   11.233   2.5324   8.0080   3.0433   18.491   4.5661  694.275  144.683  1065.76  140.232 -371.4802 201.4899 
1 1 1   -1   17   18 o  847.559  101.589   11.555   2.6424   10.520   3.1848   13.839   4.7332  800.922  131.563  909.058  172.594 -108.1360 217.0200 
1 1 1   -1   17   20 o  ?   ?   -4.8502   0.9305  -5.7026   0.9895   1.6660   2.7359  ?   ?   396.096  153.880 0.000000 153.8795 
1 1 1   -1   17   22 o  918.484  121.851   13.699   3.4179   13.699   3.4179   0.0000   0.0000  918.484  121.851  ?   ?  0.000000 121.8508 
1 1 1   -1   17   24 o  2365.00  100.195   88.755   7.4198   86.013   9.1662   93.967   12.637  2315.62  126.899  2398.61  169.343 -82.99194 211.6139 
1 1 1   -1   17   26 f  673.490  171.627   7.6619   3.6299   6.4731   6.7625   8.1430   4.3021  668.117  245.830  692.925  191.773 -24.80774 311.7841 
1 1 1   -1   17   28 o  1019.41  106.815   16.708   3.3589   18.123   4.2552   14.368   5.4713  1055.28  131.638  917.275  196.416 138.0028 236.4480 
1 1 1   -1   17   30 o  2386.21  171.398   93.724   12.721   93.724   12.721   0.0000   0.0000  2386.21  171.398  ?   ?  0.000000 171.3978 
1 1 1   -1   17   32 o  1311.67  229.364   30.076   9.0774   30.076   9.0774   0.0000   0.0000  1311.67  229.364  ?   ?  0.000000 229.3642 
1 1 1   -1   17   34 o  1119.05  131.455   20.522   4.5184   20.522   4.5184   0.0000   0.0000  1119.05  131.455  ?   ?  0.000000 131.4548 
1 1 1   -1   17   36 o  2699.02  133.385  118.500   11.273  118.500   11.273   0.0000   0.0000  2699.02  133.385  ?   ?  0.000000 133.3845 
1 1 1   -1   17   38 o  1693.24  112.225   46.549   5.9164   48.311   8.2043   44.640   8.5399  1697.50  156.103  1620.87  170.835 76.62488 231.4148 
1 1 1   -1   17   40 o  792.661  137.121   10.719   3.2802   11.781   4.3429   9.3083   5.0050  812.269  175.849  707.119  210.441 105.1505 274.2413 
1 1 1   -1   17   42 o  1490.93  113.830   37.202   5.2739   37.347   7.2369   37.039   7.7017  1447.32  162.496  1426.72  176.137 20.60425 239.6438 
1 1 1   -1   17   44 o  876.061  161.706   14.374   4.2724   14.374   4.2724   0.0000   0.0000  876.061  161.706  ?   ?  0.000000 161.7061 
1 1 1   -1   17   46 o  223.772  106.292  -1.9899   2.0195  -3.6128   2.3873   2.0933   3.7868  219.595  107.053  406.660  172.147 -187.0650 202.7195 
1 1 1   -1   17   48 o  640.424  210.479   10.365   4.8827   0.2702   12.156   12.306   5.3317  472.865  232.776  688.423  219.444 -215.5577 319.9063 
1 1 1   -1   17   50 o  471.465  233.169   6.7388   12.697   6.7388   12.697   0.0000   0.0000  471.465  233.169  ?   ?  0.000000 233.1694 
1 1 1   -1   17   52 o  483.282  240.032   21.020   14.006   21.020   14.006   0.0000   0.0000  483.282  240.032  ?   ?  0.000000 240.0318 
1 1 1   -1   18    1 o  1608.19   77.214   40.684   3.8882   43.461   5.7239   38.305   5.2983  1654.37  111.141  1552.97  109.662 101.4000 156.1347 
1 1 1   -1   18    3 o  583.593  120.406   5.5885   2.1273   2.8965   3.2426   7.6224   2.8186  467.911  170.519  680.874  136.949 -212.9626 218.7046 
1 1 1   -1   18    5 o  629.951  129.191   6.5226   2.4628   9.3296   4.6191   5.4077   2.9111  746.606  195.336  572.832  157.433 173.7735 250.8808 
1 1 1   -1   18    7 o  537.783  158.093   4.7081   2.8389   2.6113   4.9409   5.7415   3.4686  519.944  205.365  592.620  174.901 -72.67578 269.7503 
1 1 1   -1   18    9 o  1123.98  120.885   20.265   4.1876   14.766   6.3710   24.448   5.5565  932.708  221.450  1229.21  147.299 -296.4980 265.9642 
1 1 1   -1   18   11 o  796.941  145.731   10.450   3.5026   6.2123   5.7550   12.944   4.4143  647.070  228.213  884.072  165.546 -237.0013 281.9341 
1 1 1   -1   18   13 o  700.291  110.310   7.9577   2.3388   9.0938   3.3489   6.8760   3.2678  740.866  149.515  641.635  162.480 99.23126 220.8038 
1 1 1   -1   18   15 f  769.999  108.538   9.5816   2.5443   7.3359   3.0107   15.192   4.7590  663.852  148.548  958.391  164.507 -294.5389 221.6512 
1 1 1   -1   18   17 o  1040.39   94.868   17.260   3.0566   17.176   3.7161   17.434   5.3742  1033.02  116.944  1024.87  173.669 8.148315 209.3726 
1 1 1   -1   18   19 o  829.290  109.061   11.094   2.7633   11.930   3.3244   9.2261   4.9705  856.000  127.955  738.406  206.765 117.5947 243.1548 
1 1 1   -1   18   21 o  604.422  144.367   6.0817   2.6947   6.0817   2.6947   0.0000   0.0000  604.422  144.367  ?   ?  0.000000 144.3668 
1 1 1   -1   18   23 o  1332.40   94.435   28.210   3.9144   30.719   4.9143   23.855   6.4743  1386.09  114.246  1201.78  177.379 184.3093 210.9867 
1 1 1   -1   18   25 f  847.540  119.076   11.644   3.0729   12.811   3.9305   9.8098   4.9285  882.420  147.454  760.016  203.182 122.4045 251.0487 
1 1 1   -1   18   27 o  1530.29  202.265   39.113   9.4545   39.113   9.4545   0.0000   0.0000  1530.29  202.265  ?   ?  0.000000 202.2653 
1 1 1   -1   18   29 o  666.060  143.939   7.4070   2.9144   9.4285   3.7672   4.3939   4.5993  748.123  165.228  557.309  203.084 190.8141 261.8078 
1 1 1   -1   18   31 o  2683.27  183.153  119.084   15.297   0.0000   0.0000  119.084   15.297  ?   ?   2683.27  183.153 0.000000 183.1534 
1 1 1   -1   18   33 o  3331.39  150.509  180.509   15.700  157.501   22.740  201.469   21.703  3015.94  242.852  3464.59  200.921 -448.6599 315.1925 
1 1 1   -1   18   39 o  1124.82  138.878   21.279   4.7876   21.279   4.7876   0.0000   0.0000  1124.82  138.878  ?   ?  0.000000 138.8783 
1 1 1   -1   18   41 f  835.745  308.260   16.579   10.643   16.579   10.643   0.0000   0.0000  835.745  308.260  ?   ?  0.000000 308.2604 
1 1 1   -1   18   43 o  419.831  164.736   2.5221   3.1598   2.5221   3.1598   0.0000   0.0000  419.831  164.736  ?   ?  0.000000 164.7356 
1 1 1   -1   18   45 o  577.890  185.357   6.8419   3.7995   6.8419   3.7995   0.0000   0.0000  577.890  185.357  ?   ?  0.000000 185.3572 
1 1 1   -1   18   47 o  1037.00  167.602   21.500   5.2566   21.500   5.2566   0.0000   0.0000  1037.00  167.602  ?   ?  0.000000 167.6019 
1 1 1   -1   18   49 o  307.861  148.074  -3.0071   4.1909 -12.2432   11.587  -1.6170   4.4952  395.500  199.453  337.003  159.638 58.49664 255.4720 
1 1 1   -1   18   51 o  366.891  171.171   0.9506   4.8341  -6.2143   13.221   2.0563   5.1938  403.457  204.469  389.173  180.144 14.28387 272.5058 
1 1 1   -1   19    2 o  763.405  116.226   9.4299   2.6906   11.224   3.5606   7.0421   4.1079  828.596  142.366  653.658  189.609 174.9384 237.1066 
1 1 1   -1   19    4 o  653.048  128.921   6.9996   2.5427   10.440   3.4096   2.6885   3.8165  798.550  141.541  481.070  183.060 317.4801 231.3980 
1 1 1   -1   19    6 o  448.591  139.378   3.1909   2.1641   4.8239   3.0583   1.5532   3.0627  546.094  164.951  409.825  161.746 136.2692 231.0209 
1 1 1   -1   19    8 o  1656.75   79.805   43.219   4.1400   49.174   5.8703   37.326   5.8396  1760.08  107.023  1528.99  123.013 231.0939 163.0527 
1 1 1   -1   19   10 o  401.514  148.421   2.0394   2.4699  -3.4741   5.1185   3.7129   2.8200  395.013  181.394  489.457  159.912 -94.44400 241.8172 
1 1 1   -1   19   12 o  406.641  150.777   2.0770   2.5529  -4.3356   4.9836   4.3582   2.9725  374.555  174.428  522.518  163.512 -147.9634 239.0845 
1 1 1   -1   19   14 o  844.426  129.027   11.588   3.3033   9.6225   5.8344   12.515   4.0075  759.303  227.490  872.627  152.202 -113.3242 273.7101 
1 1 1   -1   19   16 o  2096.85   97.882   69.462   6.4267   72.261   7.9468   64.172   10.926  2130.75  119.591  1987.94  177.391 142.8173 213.9383 
1 1 1   -1   19   18 o  1723.09   94.902   47.010   5.1006   51.227   6.3378   39.257   8.5934  1794.76  113.358  1550.85  180.328 243.9121 212.9978 
1 1 1   -1   19   20 o  703.496  127.110   8.0963   2.6970   7.9935   3.1858   8.3563   5.0667  694.346  150.843  710.104  211.827 -15.75830 260.0465 
1 1 1   -1   19   22 o  2303.60   98.073   83.848   7.0741   85.191   8.7489   81.312   12.023  2313.38  121.200  2241.04  172.661 72.34058 210.9532 
1 1 1   -1   19   24 o  832.881  127.188   11.280   3.2118   14.324   4.0242   5.9385   5.3308  937.101  141.557  629.241  219.803 307.8604 261.4415 
1 1 1   -1   19   26 o  1394.48  101.738   30.957   4.4117   32.005   5.5614   29.179   7.2458  1411.56  127.192  1331.07  178.331 80.48767 219.0424 
1 1 1   -1   19   28 o  1075.14  147.819   18.903   4.8447   13.836   8.0043   21.832   6.0862  891.633  266.303  1147.77  174.872 -256.1342 318.5864 
1 1 1   -1   19   30 o  986.212  199.398   16.547   5.9459   0.0000   0.0000   16.547   5.9459  ?   ?   986.212  199.398 0.000000 199.3985 
1 1 1   -1   19   32 o  1751.97  171.030   50.545   9.2628   0.0000   0.0000   50.545   9.2628  ?   ?   1751.97  171.030 0.000000 171.0299 
1 1 1   -1   19   34 o  1137.87  188.266   21.956   6.4733   0.0000   0.0000   21.956   6.4733  ?   ?   1137.87  188.266 0.000000 188.2655 
1 1 1   -1   19   36 o  1909.73  139.280   59.748   8.2713   36.553   12.890   75.982   10.784  1376.86  306.838  2138.28  162.275 -761.4183 347.1061 
1 1 1   -1   19   38 o  1809.97  105.137   53.124   5.9329   52.319   7.4876   54.483   9.7255  1776.04  135.666  1778.62  176.978 -2.579590 222.9938 
1 1 1   -1   19   40 o  1608.52  141.645   44.029   7.0614   44.029   7.0614   0.0000   0.0000  1608.52  141.645  ?   ?  0.000000 141.6450 
1 1 1   -1   19   42 o  914.535  173.799   15.460   4.7950   15.460   4.7950   0.0000   0.0000  914.535  173.799  ?   ?  0.000000 173.7986 
1 1 1   -1   19   44 o  502.369  183.257   4.6584   3.7465   4.6584   3.7465   0.0000   0.0000  502.369  183.257  ?   ?  0.000000 183.2566 
1 1 1   -1   19   46 f  918.010  176.221   16.783   4.8813   16.783   4.8813   0.0000   0.0000  918.010  176.221  ?   ?  0.000000 176.2211 
1 1 1   -1   19   48 o  447.183  193.931   3.2911   5.0250   15.011   12.784   1.1493   5.4649  603.304  280.424  414.355  189.211 188.9482 338.2874 
1 1 1   -1   19   50 o  468.453  168.492   4.9111   3.1518  -2.0899   3.8207   19.821   5.5758  303.957  144.895  907.677  201.443 -603.7206 248.1404 
1 1 1   -1   20    1 o  713.886  170.542   8.4752   3.7600   8.4752   3.7600   0.0000   0.0000  713.886  170.542  ?   ?  0.000000 170.5418 
1 1 1   -1   20    3 o  637.894  151.935   6.7386   2.9914   7.1931   3.4769   5.4438   5.8689  658.245  168.096  630.147  229.442 28.09833 284.4288 
1 1 1   -1   20    5 o  935.385  106.418   13.992   3.0614   13.807   4.1122   14.221   4.5853  920.416  147.676  930.677  163.300 -10.26166 220.1707 
1 1 1   -1   20    7 o  608.926  141.218   6.1262   2.6403   1.9576   3.4024   12.437   4.1862  439.884  171.405  869.758  159.594 -429.8745 234.2006 
1 1 1   -1   20    9 o  249.927  114.954  -1.5482   2.0670  -0.8623   4.6818  -1.7142   2.3037  423.968  185.472  263.956  121.389 160.0121 221.6640 
1 1 1   -1   20   11 o  989.142  130.427   15.776   3.9411   0.0000   0.0000   15.776   3.9411  ?   ?   989.142  130.427 0.000000 130.4266 
1 1 1   -1   20   13 o  770.143  116.087   9.5838   2.7125   8.7358   3.8665   10.406   3.8063  724.684  172.822  794.275  158.598 -69.59180 234.5651 
1 1 1   -1   20   15 o  1339.02  125.995   28.648   5.2206   33.192   7.6921   24.767   7.1084  1429.62  175.521  1227.65  191.137 201.9631 259.5013 
1 1 1   -1   20   17 o  1526.06  124.928   37.133   5.9173   39.634   8.8440   35.106   7.9620  1560.91  184.518  1470.28  176.470 90.63379 255.3202 
1 1 1   -1   20   19 o  418.683  171.634   1.0290   3.5926   3.1137   6.2501   0.0004   4.3905  578.477  230.184  429.545  183.709 148.9317 294.5060 
1 1 1   -1   20   21 o  611.846  145.991   6.1996   2.7580   8.5180   3.2877   0.6929   5.0668  717.835  151.050  475.911  200.167 241.9235 250.7641 
1 1 1   -1   20   23 o  541.579  162.699   4.7558   2.9813   4.8099   3.6965   4.6552   5.0428  556.256  183.150  583.266  212.634 -27.01031 280.6368 
1 1 1   -1   20   25 o  595.238  172.422   5.8388   3.3991   3.4703   4.6723   8.5015   4.9540  534.546  202.755  713.770  208.562 -179.2242 290.8742 
1 1 1   -1   20   27 f  2091.62  118.711   69.749   7.7428   69.317   10.794   70.206   11.113  2066.59  168.261  2078.09  172.345 -11.50415 240.8619 
1 1 1   -1   20   29 o  1024.14  206.445   17.779   6.3917   0.0000   0.0000   17.779   6.3917  ?   ?   1024.14  206.445 0.000000 206.4450 
1 1 1   -1   20   31 o  792.730  282.413   9.9877   8.8345   9.9877   8.8345   0.0000   0.0000  792.730  282.413  ?   ?  0.000000 282.4131 
1 1 1   -1   20   33 o  2147.42  132.426   74.413   8.8610   74.369   13.652   74.446   11.648  2100.37  210.405  2123.56  176.781 -23.18994 274.8125 
1 1 1   -1   20   35 o  955.991  136.872   15.110   3.9802   11.393   5.1287   20.739   6.3113  805.229  203.361  1099.08  190.279 -293.8536 278.4991 
1 1 1   -1   20   37 o  1174.10  167.999   23.595   6.0002   7.2840   10.380   31.780   7.3531  712.978  291.949  1359.31  176.952 -646.3364 341.3884 
1 1 1   -1   20   39 o  870.106  147.427   13.054   3.8733   16.284   4.8522   7.3798   6.4305  962.273  167.097  645.302  239.296 316.9716 291.8624 
1 1 1   -1   20   41 o  693.430  202.721   9.2688   4.6794   9.2688   4.6794   0.0000   0.0000  693.430  202.721  ?   ?  0.000000 202.7211 
1 1 1   -1   20   43 o  717.987  165.641   9.6194   3.6481   10.608   4.6136   7.9703   5.9593  731.208  197.051  623.762  230.548 107.4460 303.2841 
1 1 1   -1   20   45 o  1068.91  173.949   21.934   5.6219   21.934   5.6219   0.0000   0.0000  1068.91  173.949  ?   ?  0.000000 173.9495 
1 1 1   -1   20   47 o  721.609  311.072   21.366   12.774   21.366   12.774   0.0000   0.0000  721.609  311.072  ?   ?  0.000000 311.0720 
1 1 1   -1   20   49 o  356.321  161.622   0.3242   3.9034   0.3242   3.9034   0.0000   0.0000  356.321  161.622  ?   ?  0.000000 161.6223 
1 1 1   -1   21    2 o  1224.20  110.553   23.828   4.1920   27.490   5.0054   15.224   7.6717  1313.38  123.150  950.731  253.184 362.6473 281.5455 
1 1 1   -1   21    4 f  1321.98  105.070   27.717   4.3135   29.224   5.1227   24.043   7.9963  1354.72  122.073  1204.15  220.190 150.5737 251.7645 
1 1 1   -1   21    6 o  920.065  127.401   13.631   3.5719   16.118   4.1816   6.9194   6.8695  999.922  137.169  697.716  248.982 302.2053 284.2662 
1 1 1   -1   21    8 o  1292.63  139.075   26.761   5.5406   39.145   7.4612   11.537   8.2725  1562.66  154.509  847.194  273.691 715.4698 314.2924 
1 1 1   -1   21   10 o  1820.84   86.681   52.145   4.9421   56.442   6.7450   47.165   7.2619  1887.76  114.652  1720.84  135.876 166.9203 177.7846 
1 1 1   -1   21   12 o  679.534  141.810   7.5855   2.9199   6.1154   3.8429   9.5935   4.4912  615.132  184.701  759.774  189.436 -144.6425 264.5759 
1 1 1   -1   21   14 o  1285.67   93.020   26.153   3.7195   27.072   5.0263   25.042   5.5300  1302.81  124.735  1248.62  144.086 54.19751 190.5771 
1 1 1   -1   21   16 o  379.520  153.327   1.0156   2.8177  -4.5990   3.4508   12.248   4.8808  287.056  137.077  858.817  186.817 -571.7606 231.7126 
1 1 1   -1   21   18 o  723.727  145.541   8.6083   3.1839   9.9328   3.8888   5.9152   5.5452  775.037  165.286  638.003  224.105 137.0341 278.4645 
1 1 1   -1   21   20 o  641.457  192.933   6.6967   4.1904  -2.2048   6.6762   12.483   5.3828  486.830  216.827  863.211  202.621 -376.3811 296.7646 
1 1 1   -1   21   22 o  1159.29  197.257   22.243   6.9040   0.0000   0.0000   22.243   6.9040  ?   ?   1159.29  197.257 0.000000 197.2573 
1 1 1   -1   21   24 o  2818.89  187.781  128.714   16.480   0.0000   0.0000  128.714   16.480  ?   ?   2818.89  187.781 0.000000 187.7812 
1 1 1   -1   21   26 o  1618.77  131.280   41.943   6.5970   45.734   10.094   39.116   8.7162  1669.02  196.934  1546.79  183.542 122.2266 269.2031 
1 1 1   -1   21   28 o  756.657  163.983   9.5432   3.7730   11.108   4.8043   7.0247   6.0947  811.778  192.015  677.812  235.123 133.9659 303.5661 
1 1 1   -1   21   30 o  2596.80  137.622  108.188   11.150   92.395   16.386  121.809   15.217  2351.89  225.255  2733.64  178.764 -381.7571 287.5694 
1 1 1   -1   21   32 o  1283.24  198.536   27.758   7.7199   0.0000   0.0000   27.758   7.7199  ?   ?   1283.24  198.536 0.000000 198.5363 
1 1 1   -1   21   34 o  823.760  205.790   11.900   5.2928   10.944   9.3666   12.348   6.4151  801.871  290.179  831.323  235.645 -29.45203 373.8082 
1 1 1   -1   21   36 o  635.126  207.128   6.9725   4.7319   6.9725   4.7319   0.0000   0.0000  635.126  207.128  ?   ?  0.000000 207.1280 
1 1 1   -1   21   38 o  1298.29  163.614   29.013   6.5036   26.374   11.187   30.361   7.9931  1110.50  309.928  1298.37  203.276 -187.8673 370.6436 
1 1 1   -1   21   40 o  544.778  207.626   4.7348   4.9143   4.7348   4.9143   0.0000   0.0000  544.778  207.626  ?   ?  0.000000 207.6258 
1 1 1   -1   21   42 o  495.872  183.036   4.1119   3.7537   6.3903   4.6565  -0.1159   6.3432  583.917  205.348  462.382  208.215 121.5345 292.4406 
1 1 1   -1   21   44 o  1033.34  184.811   20.458   5.7603   20.458   5.7603   0.0000   0.0000  1033.34  184.811  ?   ?  0.000000 184.8112 
1 1 1   -1   21   46 f  494.072  198.013   4.3687   4.6586   4.3687   4.6586   0.0000   0.0000  494.072  198.013  ?   ?  0.000000 198.0126 
1 1 1   -1   22    1 o  1132.01  141.678   20.567   4.9119   20.567   4.9119   0.0000   0.0000  1132.01  141.678  ?   ?  0.000000 141.6781 
1 1 1   -1   22    3 o  767.969  137.343   9.5946   3.1815   6.4694   4.1725   13.935   4.9171  634.968  192.867  921.458  176.850 -286.4910 261.6752 
1 1 1   -1   22    5 o  497.279  162.247   3.7830   2.9033   6.1788   3.7892   0.3765   4.5181  618.297  182.898  446.983  188.562 171.3141 262.6923 
1 1 1   -1   22    7 o  1426.93   91.862   32.145   4.0826   31.623   5.5216   32.774   6.0639  1410.02  126.403  1433.77  136.726 -23.75574 186.2033 
1 1 1   -1   22    9 o  878.456  139.756   12.496   3.7154   15.697   4.2428   1.9659   7.6950  986.529  141.391  605.059  249.960 381.4702 287.1786 
1 1 1   -1   22   11 o  398.190  175.577  -1.1834   4.2708  -7.4319   5.4636   8.6324   6.8479  358.683  171.611  747.968  249.428 -389.2842 302.7617 
1 1 1   -1   22   13 o  1484.15  107.945   34.888   4.9821   30.535   5.7982   47.167   9.7389  1383.12  135.626  1710.29  184.792 -327.1746 229.2211 
1 1 1   -1   22   15 o  1251.22  100.580   24.811   3.9073   30.124   5.1360   17.511   6.0203  1376.20  120.398  1030.53  193.680 345.6714 228.0518 
1 1 1   -1   22   17 o  721.971  163.597   8.6168   3.6128   6.9550   5.2121   10.154   5.0124  666.829  217.380  781.043  203.063 -114.2141 297.4705 
1 1 1   -1   22   19 o  600.890  171.805   5.9039   3.3949   5.1117   4.2256   7.3463   5.7017  581.682  195.932  687.324  227.523 -105.6424 300.2596 
1 1 1   -1   22   21 f  928.354  124.006   13.872   3.5146   12.583   4.1586   17.092   6.5750  876.269  157.347  1010.81  214.381 -134.5394 265.9276 
1 1 1   -1   22   23 o  1386.46  105.356   30.515   4.5397   29.550   5.4821   32.621   8.0979  1359.24  130.406  1413.69  187.568 -54.44482 228.4456 
1 1 1   -1   22   25 o  532.289  201.495   3.3992   4.6086  -2.7232   7.8956   6.5630   5.6758  525.076  234.687  659.341  227.000 -134.2649 326.5073 
1 1 1   -1   22   27 o  676.374  204.913   7.5138   4.7145   11.940   7.9658   5.1275   5.8488  846.878  268.045  618.328  228.428 228.5502 352.1758 
1 1 1   -1   22   29 o  1713.36  139.108   47.209   7.3986   44.325   11.518   49.236   9.6534  1621.89  233.540  1734.77  180.350 -112.8878 295.0715 
1 1 1   -1   22   31 o  696.050  210.591   8.1708   4.9818   8.6288   8.4778   7.9292   6.1569  752.179  275.475  699.513  236.503 52.66681 363.0706 
1 1 1   -1   22   33 o  1355.56  204.087   31.459   8.3941   0.0000   0.0000   31.459   8.3941  ?   ?   1355.56  204.087 0.000000 204.0866 
1 1 1   -1   22   35 f  432.125  188.492  -0.1774   4.8044  -2.5070   9.3789   0.6513   5.5941  550.743  250.085  480.429  206.469 70.31387 324.3025 
1 1 1   -1   22   37 o  636.735  187.057   7.1789   3.9756   9.4109   5.0062   3.3682   6.5414  719.368  209.503  560.605  230.911 158.7631 311.7881 
1 1 1   -1   22   39 o  453.396  180.528   2.4407   3.8466   1.4536   4.8432   4.1270   6.3306  460.179  194.738  563.112  228.990 -102.9328 300.5981 
1 1 1   -1   22   41 o  520.972  190.360   4.5278   4.0450   2.6134   5.0804   7.8429   6.6855  488.067  202.484  646.790  243.171 -158.7229 316.4366 
1 1 1   -1   22   43 o  542.442  192.154   5.3619   4.0843   4.9335   5.0652   6.1581   6.9058  539.117  209.396  591.401  239.648 -52.28473 318.2420 
1 1 1   -1   22   45 o  452.980  203.507   0.7299   6.0186  -0.3008   12.831   1.0206   6.8149  556.018  265.183  476.328  215.033 79.69012 341.4105 
1 1 1   -1   23    2 o  1351.27  100.199   28.868   4.2094   27.649   5.6196   30.425   6.3537  1316.38  138.406  1379.50  149.484 -63.11780 203.7200 
1 1 1   -1   23    4 o  1022.87  113.862   16.674   3.5849   17.125   4.7360   16.068   5.4860  1030.07  151.348  990.577  183.629 39.49255 237.9618 
1 1 1   -1   23    6 o  956.010  120.028   14.623   3.5138   17.577   4.6451   10.671   5.3725  1044.80  145.972  803.109  210.927 241.6906 256.5114 
1 1 1   -1   23    8 o  345.870  148.239  -0.1452   2.8697   0.5254   3.6331  -1.2577   4.6796  407.968  170.405  417.776  184.021 -9.807220 250.8020 
1 1 1   -1   23   10 o  932.042  122.827   13.930   3.4973   16.809   4.4904   9.4901   5.5760  1021.31  144.442  761.549  220.907 259.7652 263.9382 
1 1 1   -1   23   12 o  1097.14  113.385   19.164   3.8391   21.901   6.2981   17.546   4.8428  1160.68  179.051  1041.93  152.993 118.7518 235.5126 
1 1 1   -1   23   14 o  322.842  151.108  -3.7764   3.8175  -6.2783   4.4787   2.8710   7.3002  322.859  154.709  611.198  246.842 -288.3383 291.3172 
1 1 1   -1   23   18 o  457.740  175.408   2.2906   3.5195   2.2906   3.5195   0.0000   0.0000  457.740  175.408  ?   ?  0.000000 175.4079 
1 1 1   -1   23   20 o  926.089  124.210   13.787   3.5111   15.793   4.5248   10.751   5.5663  986.679  151.281  803.697  216.382 182.9816 264.0214 
1 1 1   -1   23   22 o  894.240  131.170   12.918   3.5637   15.433   4.5343   8.8543   5.7637  974.130  153.754  738.347  227.141 235.7831 274.2873 
1 1 1   -1   23   24 o  948.543  135.250   14.547   3.9033   13.958   4.7598   15.757   6.8207  920.512  171.443  966.638  228.885 -46.12579 285.9738 
1 1 1   -1   23   26 o  767.233  171.222   9.7993   4.0091   13.154   4.9594   3.4721   6.8106  888.543  184.296  603.617  240.254 284.9261 302.7985 
1 1 1   -1   23   28 o  1086.43  182.503   19.589   5.9884   28.962   9.5095   13.429   7.7089  1303.06  241.972  884.636  260.646 418.4205 355.6499 
1 1 1   -1   23   30 o  711.741  221.166   8.5085   5.4489   17.379   8.6439   2.6596   7.0192  988.336  271.139  583.173  239.583 405.1637 361.8239 
1 1 1   -1   23   32 o  493.065  202.603   1.8274   5.0208 -14.5511   8.7128   9.9701   6.1434  415.298  202.908  757.841  234.729 -342.5429 310.2731 
1 1 1   -1   23   34 o  984.515  250.102   17.789   7.7252   0.0000   0.0000   17.789   7.7252  ?   ?   984.515  250.102 0.000000 250.1019 
1 1 1   -1   23   36 o  822.398  226.279   12.399   6.0099   27.015   10.406   5.0831   7.3620  1176.91  285.321  622.558  249.128 554.3526 378.7780 
1 1 1   -1   23   38 o  503.871  211.679   2.0283   5.6557   12.080   10.296  -2.3155   6.7683  792.019  300.846  461.669  210.720 330.3501 367.3028 
1 1 1   -1   23   40 o  939.698  226.189   16.961   6.5752   8.5399   11.702   20.847   7.9487  716.566  302.938  1024.09  250.050 -307.5287 392.8057 
1 1 1   -1   23   42 o  757.708  239.870   11.755   6.3789   10.923   11.061   12.169   7.8081  725.072  299.626  755.092  265.873 -30.02002 400.5803 
1 1 1   -1   23   44 o  516.036  220.972   3.1703   6.3662   23.275   11.947  -4.8022   7.5233  908.086  327.861  429.021  204.184 479.0652 386.2430 
1 1 1   -1   24    1 o  811.808  143.078   10.702   3.5041   13.855   4.5449   6.0820   5.5024  922.561  163.306  646.921  223.461 275.6399 276.7739 
1 1 1   -1   24    3 o  646.751  179.815   6.8280   3.7733   3.9103   4.3621   15.500   7.5203  545.242  197.916  965.171  247.619 -419.9290 316.9950 
1 1 1   -1   24    5 f  1104.51  114.194   19.402   3.8924   20.411   5.0807   17.968   6.0563  1127.55  147.434  1047.82  191.650 79.72925 241.7987 
1 1 1   -1   24    7 o  674.114  183.467   7.4477   3.9762   10.547   5.8285   4.7498   5.4382  800.937  223.769  603.698  220.702 197.2382 314.2955 
1 1 1   -1   24    9 o  1088.09  135.765   18.963   4.5250   14.751   6.7166   22.464   6.1231  941.868  229.782  1178.83  170.864 -236.9604 286.3462 
1 1 1   -1   24   11 o  606.692  191.613   5.7799   4.0723   0.0000   0.0000   5.7799   4.0723  ?   ?   606.692  191.613 0.000000 191.6129 
1 1 1   -1   24   13 o  1103.24  105.945   19.326   3.6149   17.430   5.0630   21.297   5.1629  1037.27  161.111  1151.79  146.466 -114.5154 217.7360 
1 1 1   -1   24   15 o  617.604  168.934   6.2443   3.3613   4.5167   4.4978   8.4298   5.0588  569.209  201.644  719.612  210.894 -150.4029 291.7814 
1 1 1   -1   24   17 o  1263.30  105.043   25.292   4.1175   30.435   5.2985   17.452   6.5422  1383.69  123.593  1026.82  210.543 356.8716 244.1385 
1 1 1   -1   24   19 o  1173.95  142.021   22.114   5.1144   22.114   5.1144   0.0000   0.0000  1173.95  142.021  ?   ?  0.000000 142.0215 
1 1 1   -1   24   21 f  1028.30  154.228   17.142   4.8128   17.142   4.8128   0.0000   0.0000  1028.30  154.228  ?   ?  0.000000 154.2276 
1 1 1   -1   24   23 o  837.807  180.005   11.643   4.5815   11.643   4.5815   0.0000   0.0000  837.807  180.005  ?   ?  0.000000 180.0053 
1 1 1   -1   24   25 f  935.030  142.726   14.222   4.0463   13.700   5.3957   14.892   6.1166  904.627  196.139  940.178  212.736 -35.55096 289.3564 
1 1 1   -1   24   27 o  432.483  174.111   1.4911   3.6196   3.3324   5.0217  -0.4999   5.2219  541.118  208.962  454.144  197.322 86.97382 287.4033 
1 1 1   -1   24   29 o  707.555  226.988   8.2964   5.6977   14.372   9.5780   4.9688   7.0883  908.519  294.599  638.461  247.784 270.0579 384.9490 
1 1 1   -1   24   31 o  853.370  181.646   12.401   4.7048   14.895   5.9036   8.0594   7.7885  927.634  208.341  722.339  264.116 205.2945 336.3975 
1 1 1   -1   24   33 o  355.077  169.903  -6.6739   5.3584  -9.3967   8.8092  -5.0748   6.7510  461.545  220.016  434.882  202.687 26.66345 299.1471 
1 1 1   -1   24   35 o  630.005  251.262   5.0619   7.4627   0.0000   0.0000   5.0619   7.4627  ?   ?   630.005  251.262 0.000000 251.2615 
1 1 1   -1   24   37 o  379.034  180.650  -6.3757   5.9333 -18.4817   10.575  -0.8139   7.1678  436.664  215.370  502.846  224.262 -66.18216 310.9301 
1 1 1   -1   24   39 o  611.321  236.944   5.7894   6.4752   3.4824   11.516   6.8559   7.8302  657.341  289.139  656.627  258.790 0.7141724 388.0380 
1 1 1   -1   24   41 o  900.249  239.384   16.060   6.8647   17.150   11.161   15.397   8.7062  866.228  316.255  849.173  281.151 17.05438 423.1585 
1 1 1   -1   25    2 o  860.908  175.152   12.145   4.5609   9.9976   6.9802   13.745   6.0250  794.746  250.847  911.735  214.607 -116.9893 330.1218 
1 1 1   -1   25    4 o  536.287  205.961   3.0882   4.8590   1.8276   6.0773   5.3221   8.0900  548.100  223.790  692.747  265.827 -144.6475 347.4849 
1 1 1   -1   25    6 o  866.679  227.397   12.412   6.2483   0.0000   0.0000   12.412   6.2483  ?   ?   866.679  227.397 0.000000 227.3968 
1 1 1   -1   25    8 o  681.469  170.665   7.6340   3.6338   7.7862   4.6521   7.3959   5.8195  693.280  201.973  695.955  229.836 -2.674500 305.9695 
1 1 1   -1   25   10 o  407.529  158.854   1.6043   2.9231  -0.3009   4.2120   3.3746   4.0600  416.429  179.066  517.233  190.453 -100.8044 261.4138 
1 1 1   -1   25   12 o  1416.02   99.079   31.665   4.3654   37.862   6.1364   25.316   6.2114  1544.97  128.000  1255.16  161.810 289.8068 206.3161 
1 1 1   -1   25   14 o  687.182  166.466   7.7741   3.5441   12.225   4.7979   2.4287   5.2578  861.772  183.435  531.666  211.260 330.1066 279.7839 
1 1 1   -1   25   16 o  485.111  183.461   2.7131   3.8182  -8.7312   7.3320   6.9716   4.4725  428.392  203.206  658.985  199.573 -230.5925 284.8194 
1 1 1   -1   25   18 o  859.966  139.609   11.982   3.6304   10.037   4.7490   14.718   5.6314  778.320  195.207  943.609  196.957 -165.2896 277.3047 
1 1 1   -1   25   20 o  287.262  133.307  -2.4899   2.8706   2.6476   3.7191 -10.0619   4.5150  478.064  180.999  282.556  139.612 195.5074 228.5875 
1 1 1   -1   25   22 o  471.224  169.762   2.9992   3.2007   3.3522   4.1540   2.4834   5.0212  516.777  192.191  521.222  206.660 -4.444763 282.2159 
1 1 1   -1   25   24 o  771.658  279.101   8.6678   8.6634   8.6678   8.6634   0.0000   0.0000  771.658  279.101  ?   ?  0.000000 279.1011 
1 1 1   -1   25   26 o  703.639  215.776   8.1834   5.2061   8.1834   5.2061   0.0000   0.0000  703.639  215.776  ?   ?  0.000000 215.7762 
1 1 1   -1   25   28 o  385.060  180.317  -5.0232   5.4473  -5.0232   5.4473   0.0000   0.0000  385.060  180.317  ?   ?  0.000000 180.3170 
1 1 1   -1   25   30 f  734.138  183.988   9.1802   4.2211   13.252   6.1418   5.5349   5.8109  872.864  223.689  620.808  227.961 252.0560 319.3791 
1 1 1   -1   25   32 o  395.701  170.264   0.0063   3.8127  -2.8748   5.7950   2.2053   5.0628  429.539  195.638  504.352  204.903 -74.81223 283.3013 
1 1 1   -1   25   34 o  817.709  206.917   11.773   5.3023   14.474   6.7799   7.5203   8.5083  895.782  237.761  710.438  272.612 185.3430 361.7286 
1 1 1   -1   25   36 o  804.449  236.781   11.802   6.3646   5.8572   9.2054   17.246   8.8096  678.835  276.100  949.289  278.332 -270.4536 392.0456 
1 1 1   -1   25   38 o  370.017  179.612  -9.4193   6.5254  -9.4897   11.134  -9.3825   8.0534  517.621  246.914  426.373  205.122 91.24796 321.0011 
1 1 1   -1   25   40 o  430.084  201.520  -4.5852   6.8208  -3.0728   11.717  -5.3603   8.3886  580.815  269.461  472.147  221.948 108.6675 349.0985 
1 1 1   -1   26    1 o  529.535  223.025   0.5715   6.3041   0.0000   0.0000   0.5715   6.3041  ?   ?   529.535  223.025 0.000000 223.0253 
1 1 1   -1   26    3 o  1599.85  148.938   40.695   7.3754   36.507   9.8560   46.024   11.118  1501.37  215.858  1689.26  215.077 -187.8876 304.7176 
1 1 1   -1   26    5 o  1053.49  220.457   18.286   7.0388   0.0000   0.0000   18.286   7.0388  ?   ?   1053.49  220.457 0.000000 220.4568 
1 1 1   -1   26    7 o  893.286  158.666   12.966   4.2755   11.837   5.4875   14.709   6.8203  846.897  208.360  942.513  232.535 -95.61627 312.2283 
1 1 1   -1   26    9 o  626.761  171.503   6.4100   3.4636   5.1701   4.9642   7.5861   4.8348  605.075  212.068  687.950  207.308 -82.87463 296.5627 
1 1 1   -1   26   11 o  770.836  183.738   9.7916   4.3721   10.500   8.5383   9.5399   5.0900  829.997  278.520  762.202  207.637 67.79559 347.3993 
1 1 1   -1   26   13 o  545.931  183.905   4.4257   3.7227   3.4548   5.0748   5.5568   5.4778  554.068  211.032  629.670  222.587 -75.60199 306.7232 
1 1 1   -1   26   15 o  809.776  160.397   10.739   3.9232   16.064   5.3186   4.3843   5.8104  991.497  177.847  603.277  226.721 388.2194 288.1531 
1 1 1   -1   26   17 o  456.650  171.746   2.4583   3.3355   7.2497   4.4176  -3.8952   5.0871  668.360  197.420  389.357  179.544 279.0029 266.8531 
1 1 1   -1   26   19 o  406.701  164.723   1.1330   3.2610   1.7540   4.2216   0.2142   5.1348  469.924  188.439  470.010  199.783 -0.8566284E-01 274.6317 
1 1 1   -1   26   21 o  630.750  178.517   6.5387   3.6846   6.3763   4.8125   6.7687   5.7279  638.685  208.915  668.462  228.103 -29.77747 309.3161 
1 1 1   -1   26   23 o  506.726  179.326   3.6338   3.5564   7.3248   4.5940  -1.8864   5.6182  669.107  202.181  446.566  198.899 222.5408 283.6160 
1 1 1   -1   26   25 o  445.041  173.715   2.0233   3.4993  -1.0481   4.6514   6.0287   5.3117  417.109  183.607  632.607  219.497 -215.4974 286.1647 
1 1 1   -1   26   27 o  909.431  163.415   13.705   4.4824   14.759   6.2690   12.601   6.4116  928.965  219.078  856.872  232.876 72.09271 319.7281 
1 1 1   -1   26   29 f  1078.21  207.067   19.757   6.7367   19.757   6.7367   0.0000   0.0000  1078.21  207.067  ?   ?  0.000000 207.0672 
1 1 1   -1   26   31 o  538.259  222.661   2.0192   6.1178   2.0192   6.1178   0.0000   0.0000  538.259  222.661  ?   ?  0.000000 222.6611 
1 1 1   -1   26   33 o  689.107  250.027   7.4086   6.9604   7.4086   6.9604   0.0000   0.0000  689.107  250.027  ?   ?  0.000000 250.0266 
1 1 1   -1   26   35 o  477.496  200.502   1.2482   5.0702  -4.4017   11.319   2.6665   5.6710  587.005  269.627  532.067  216.590 54.93896 345.8471 
1 1 1   -1   26   37 o  614.630  266.224   1.9584   9.4468   1.9584   9.4468   0.0000   0.0000  614.630  266.224  ?   ?  0.000000 266.2241 
1 1 1   -1   27    2 o  858.572  170.963   12.052   4.4346   13.083   5.6651   10.419   7.1266  890.608  207.066  810.030  253.134 80.57764 327.0363 
1 1 1   -1   27    4 o  374.881  178.858  -7.7270   5.8480  -8.3059   7.7382  -6.9560   8.9298  451.251  212.449  513.951  237.306 -62.70035 318.5106 
1 1 1   -1   27    6 o  366.822  172.049  -5.1248   4.9929  -2.0639   7.8678  -7.1886   6.4604  541.495  238.560  409.598  193.225 131.8970 306.9966 
1 1 1   -1   27    8 o  829.602  200.621   11.362   5.1544   11.609   8.8938   11.238   6.3249  864.368  284.066  827.904  233.739 36.46411 367.8685 
1 1 1   -1   27   10 o  577.381  204.958   4.6070   4.6491  -3.6629   8.1353   8.6176   5.6653  526.375  236.531  733.788  225.104 -207.4128 326.5256 
1 1 1   -1   27   12 o  807.994  163.175   10.700   3.9862   9.9459   5.8578   11.351   5.4400  780.222  226.450  827.937  209.630 -47.71448 308.5845 
1 1 1   -1   27   14 o  618.877  191.628   6.0876   4.0947  -0.2819   5.5137   13.921   6.1145  476.889  204.965  914.951  216.755 -438.0619 298.3173 
1 1 1   -1   27   16 o  837.904  205.081   11.676   5.3371   16.869   9.4665   9.2568   6.4620  1002.78  286.952  761.445  241.466 241.3385 375.0295 
1 1 1   -1   27   18 o  406.229  169.093   0.6251   3.5598  -5.3916   4.7035   8.6929   5.4465  346.486  163.883  730.354  220.020 -383.8680 274.3474 
1 1 1   -1   27   20 o  499.813  181.676   3.3214   3.6774   1.3941   4.8026   6.0531   5.7176  483.604  198.368  646.125  227.513 -162.5210 301.8478 
1 1 1   -1   27   22 f  719.863  177.914   8.6347   3.9873   8.8314   5.0700   8.3159   6.4555  729.704  210.352  727.192  242.160 2.512085 320.7641 
1 1 1   -1   27   24 o  510.854  186.252   3.4989   3.8692   8.5567   5.0202  -3.9014   6.0724  717.755  210.014  432.616  198.261 285.1387 288.8137 
1 1 1   -1   27   26 o  565.160  190.995   4.8901   4.0155   6.8127   5.3995   2.5112   6.0062  659.193  221.486  552.683  223.657 106.5104 314.7671 
1 1 1   -1   27   28 o  1076.46  180.782   19.275   5.8775   26.002   9.4443   15.023   7.5088  1224.65  254.591  929.911  251.719 294.7411 358.0215 
1 1 1   -1   27   30 o  341.641  162.848  -5.9443   4.8245 -10.7402   10.150  -4.5447   5.4835  501.338  238.183  392.979  182.995 108.3589 300.3636 
1 1 1   -1   27   32 o  460.625  191.713   1.1569   4.5751   1.1782   6.6599   1.1379   6.2959  538.318  228.112  525.070  222.105 13.24762 318.3798 
1 1 1   -1   27   34 o  630.957  271.408   1.6944   9.6822   1.6944   9.6822   0.0000   0.0000  630.957  271.408  ?   ?  0.000000 271.4080 
1 1 1   -1   28    1 o  1187.42  143.748   22.556   5.2358   28.279   6.7607   13.979   8.2761  1327.33  166.318  923.527  269.487 403.8010 316.6781 
1 1 1   -1   28    3 o  1388.73  188.229   31.118   7.9741   39.372   10.684   20.739   11.981  1556.17  225.861  1116.79  323.779 439.3752 394.7733 
1 1 1   -1   28    5 o  465.875  194.445   0.7149   4.7254  -0.7323   5.3908   5.5162   9.8187  463.061  200.841  741.208  290.525 -278.1466 353.1880 
1 1 1   -1   28    7 o  641.286  187.462   6.6482   4.0016   8.7876   5.6857   4.5484   5.6329  739.714  225.240  603.560  223.934 136.1544 317.6158 
1 1 1   -1   28    9 o  543.908  189.262   4.2202   3.9505   2.6684   5.6773   5.6769   5.5006  553.198  219.617  633.688  223.153 -80.48999 313.0960 
1 1 1   -1   28   11 o  505.684  198.652   2.4088   4.5998   2.7660   8.5348   2.2625   5.4607  648.938  265.112  534.465  214.318 114.4735 340.9051 
1 1 1   -1   28   13 o  808.694  220.799   10.821   5.7482   13.662   10.022   9.4292   7.0170  925.202  301.432  774.991  252.206 150.2108 393.0256 
1 1 1   -1   28   15 o  403.800  172.148   0.0083   3.8331  -0.3293   4.9422   0.5181   6.0722  449.769  193.688  516.388  218.261 -66.61880 291.8099 
1 1 1   -1   28   17 o  1232.58  169.932   24.617   6.3842   37.282   10.629   17.470   7.9850  1503.36  233.359  1018.08  251.865 485.2817 343.3547 
1 1 1   -1   28   19 o  522.708  203.940   2.7785   4.8214   2.7785   4.8214   0.0000   0.0000  522.708  203.940  ?   ?  0.000000 203.9403 
1 1 1   -1   28   21 o  660.710  189.664   7.1805   4.1296   9.1022   5.3347   4.3070   6.5234  742.108  216.307  617.624  238.260 124.4847 321.8017 
1 1 1   -1   28   23 o  334.124  153.083  -2.4548   3.6170  -2.9140   4.6663  -1.7636   5.7251  382.839  174.827  453.779  201.521 -70.94022 266.7866 
1 1 1   -1   28   25 o  275.113  134.130  -6.7347   3.7499  -1.3255   4.9093 -14.3115   5.8102  424.221  187.587  307.885  153.194 116.3355 242.1929 
1 1 1   -1   28   27 o  395.625  175.278  -1.2452   4.3062  -5.2200   5.9899   3.0065   6.1950  408.691  190.627  570.718  228.479 -162.0269 297.5588 
1 1 1   -1   28   29 f  518.156  207.865   2.4018   5.1392   4.9521   8.6331   1.0020   6.3959  678.985  270.419  530.669  224.134 148.3164 351.2303 
1 1 1   -1   28   31 o  289.447  144.572 -14.0349   5.3872   0.0000   0.0000 -14.0349   5.3872  ?   ?   289.447  144.572 0.000000 144.5718 
1 1 1   -1   28   33 f  786.905  212.797   10.728   5.3694   15.797   7.8557   6.2840   7.3559  940.446  258.679  671.386  254.466 269.0595 362.8606 
1 1 1   -1   29    2 o  549.281  243.083  -2.4560   8.2598  -2.4560   8.2598   0.0000   0.0000  549.281  243.083  ?   ?  0.000000 243.0830 
1 1 1   -1   29    4 o  553.544  214.993   3.1155   5.3395   2.9543   5.9067   3.8363   12.488  568.902  224.591  778.094  319.600 -209.1914 390.6217 
1 1 1   -1   29    6 o  406.971  183.392  -2.4665   4.9310  -4.1582   5.6132   3.2521   10.320  411.642  189.373  710.946  291.110 -299.3036 347.2853 
1 1 1   -1   29    8 o  304.633  145.154  -4.9761   3.8257  -3.4396   5.6036  -6.3175   5.2358  422.555  192.428  362.118  171.755 60.43726 257.9302 
1 1 1   -1   29   10 o  435.293  180.781   0.7504   4.0558  -4.7386   6.0230   5.3043   5.4860  421.739  194.786  621.413  222.423 -199.6740 295.6581 
1 1 1   -1   29   12 o  281.144  139.208 -10.5890   4.5756  -3.4508   8.6029 -13.4049   5.4033  545.649  244.349  297.965  148.173 247.6847 285.7649 
1 1 1   -1   29   14 o  377.707  168.279  -1.5322   4.0248   0.4143   5.2775  -4.2378   6.2222  481.709  203.534  437.665  200.617 44.04422 285.7857 
1 1 1   -1   29   16 o  568.256  218.133   3.5844   5.4487   21.121   10.229  -3.3618   6.4380  1115.62  290.108  460.263  208.279 655.3625 357.1318 
1 1 1   -1   29   18 o  797.752  300.408   8.1769   10.211   8.1769   10.211   0.0000   0.0000  797.752  300.408  ?   ?  0.000000 300.4084 
1 1 1   -1   29   20 o  452.122  185.542   1.1689   4.2041  -5.1528   5.4769   10.237   6.5594  388.467  181.559  790.914  242.147 -402.4476 302.6531 
1 1 1   -1   29   22 o  262.265  129.622  -8.7208   3.9014 -12.1302   5.1506  -4.1314   5.9758  295.432  146.532  426.314  195.852 -130.8821 244.6015 
1 1 1   -1   29   24 o  608.515  210.834   5.4923   4.8999   4.1207   6.9269   6.8659   6.9320  623.235  244.093  693.622  249.837 -70.38678 349.2854 
1 1 1   -1   29   26 o  607.910  212.392   5.4610   4.9775   4.5693   7.1268   6.3102   6.9549  637.729  248.191  677.206  249.283 -39.47662 351.7679 
1 1 1   -1   29   28 o  496.273  204.536   1.4938   5.1362   3.2876   8.7473   0.5500   6.3452  652.124  267.629  521.369  221.861 130.7551 347.6307 
1 1 1   -1   30    1 o  743.212  248.369   8.3915   6.7895   14.969   10.119   3.0063   9.1562  963.282  301.739  673.900  274.869 289.3824 408.1656 
1 1 1   -1   30    3 o  483.332  203.269   0.5310   5.2243   1.7569   6.4761  -1.7537   8.8406  560.763  230.223  581.210  254.547 -20.44720 343.2148 
1 1 1   -1   30    5 o  710.203  234.204   7.7336   6.0436   5.4523   6.8142   16.143   13.083  661.273  246.110  1019.97  344.759 -358.6945 423.5905 
1 1 1   -1   30    7 o  547.741  227.402   1.2819   6.4142   1.2819   6.4142   0.0000   0.0000  547.741  227.402  ?   ?  0.000000 227.4016 
1 1 1   -1   30    9 o  699.320  228.233   7.5674   5.7449   1.7649   6.5156   27.835   12.177  561.831  230.823  1283.77  307.064 -721.9351 384.1451 
1 1 1   -1   30   11 o  610.894  211.876   5.3913   4.9490   9.5012   6.5700   0.0001   7.5247  772.444  243.318  562.686  240.574 209.7584 342.1690 
1 1 1   -1   30   13 o  782.496  238.127   9.9086   6.3562   9.9086   6.3562   0.0000   0.0000  782.496  238.127  ?   ?  0.000000 238.1271 
1 1 1   -1   30   15 o  308.965  149.509  -7.1987   4.4338   2.6982   5.7541 -21.6631   6.9563  555.620  220.934  310.274  156.230 245.3459 270.5909 
1 1 1   -1   30   17 o  376.891  171.626  -2.7323   4.4570  -6.8576   5.9055   2.7272   6.7937  386.786  183.149  591.239  238.355 -204.4527 300.5940 
1 1 1   -1   30   19 o  436.684  189.322  -0.5765   4.7862   1.5541   6.3815  -3.3161   7.2361  549.917  227.441  493.748  222.359 56.16858 318.0771 
1 1 1   -1   30   21 o  1108.71  248.596   20.732   8.4173   0.0000   0.0000   20.732   8.4173  ?   ?   1108.71  248.596 0.000000 248.5965 
1 1 1   -1   30   23 o  579.086  244.840   0.8968   7.6451   0.0000   0.0000   0.8968   7.6451  ?   ?   579.086  244.840 0.000000 244.8403 
1 1 1   -1   30   25 o  416.342  192.385  -4.4829   5.8857  -4.4829   5.8857   0.0000   0.0000  416.342  192.385  ?   ?  0.000000 192.3847 
1 1 1   -1   31    2 o  461.124  200.980  -0.9688   5.4523   5.8174   6.7160 -14.0884   9.3381  669.032  245.161  455.993  219.737 213.0391 329.2240 
1 1 1   -1   31    4 o  481.489  204.725   0.1169   5.3950   2.3079   6.6871  -3.9680   9.1307  580.851  235.665  559.308  251.010 21.54248 344.3020 
1 1 1   -1   31    6 o  429.978  187.475  -0.8742   4.7482   7.5075   6.8768  -8.5107   6.5640  719.347  249.740  398.347  189.898 321.0007 313.7376 
1 1 1   -1   31    8 o  668.938  219.398   6.8658   5.3063   3.2208   7.1783   11.257   7.8790  617.497  246.379  841.504  266.606 -224.0073 363.0169 
1 1 1   -1   31   10 o  531.236  225.900   0.2066   6.5700   0.2066   6.5700   0.0000   0.0000  531.236  225.900  ?   ?  0.000000 225.9002 
1 1 1   -1   31   12 o  677.730  243.044   6.3196   6.5534   6.3196   6.5534   0.0000   0.0000  677.730  243.044  ?   ?  0.000000 243.0438 
1 1 1   -1   31   14 o  584.907  245.979   0.9529   7.6500   0.9529   7.6500   0.0000   0.0000  584.907  245.979  ?   ?  0.000000 245.9791 
1 1 1   -1   31   16 o  494.384  207.716   0.6451   5.4469   4.4948   7.5090  -3.6300   7.9130  654.896  254.790  517.011  232.710 137.8853 345.0683 
1 1 1   -1   31   18 o  548.142  214.435   2.9753   5.3412  -3.6991   7.3358   10.506   7.7920  492.760  222.716  815.499  265.788 -322.7390 346.7643 
1 1 1   -1   31   20 o  431.864  196.668  -3.5038   5.8535  -3.5038   5.8535   0.0000   0.0000  431.864  196.668  ?   ?  0.000000 196.6680 
1 1 1   -1   32    1 o  457.591  209.858  -4.7838   6.8205  -7.8985   9.3703  -1.2740   9.9467  519.112  240.881  627.048  272.390 -107.9356 363.6208 
1 1 1   -1   32    3 f  1104.46  189.793   19.856   6.3271   13.092   7.8774   32.154   10.621  895.921  263.341  1398.16  251.866 -502.2368 364.3965 
1 1 1   -1   32    5 o  468.573  198.859   0.1635   5.0735   0.5668   7.0644  -0.2660   7.2911  558.111  235.631  550.671  236.159 7.440674 333.6060 
1 1 1   -1   32    7 o  353.803  167.130  -5.5597   4.8633   8.0052   6.9573 -18.5212   6.8008  735.557  251.392  323.375  161.655 412.1818 298.8817 
1 1 1   -1   32    9 f  612.142  221.865   4.9701   5.4786   18.179   7.4001 -11.0508   8.1498  1047.55  231.744  438.311  209.679 609.2429 312.5229 
1 1 1   -1   32   11 o  446.520  200.576  -2.6964   5.8443 -10.7724   8.6791   4.0038   7.9053  461.595  219.578  657.312  259.720 -195.7162 340.1015 
1 1 1   -1   32   13 o  332.103  162.837 -11.3886   5.7625  -5.3024   8.1955 -17.3397   8.1040  505.630  231.208  383.037  188.847 122.5930 298.5305 
1 1 1   -1   32   15 o  785.899  256.051   9.6538   7.2318   9.6538   7.2318   0.0000   0.0000  785.899  256.051  ?   ?  0.000000 256.0507 
1 1 1   -1   33    2 f  554.515  238.060  -0.3521   7.4230   7.4599   10.630  -7.7857   10.370  802.013  305.441  556.471  256.513 245.5424 398.8653 
1 1 1    0    0   44 o  1887.36  168.189   58.442   9.7581   58.442   9.7581   58.442   9.7581  1887.36  168.189  1887.36  168.189 -0.000000 0.000000 
1 1 1    0    0   46 o  2419.74  178.578   95.743   13.361   95.743   13.361   95.743   13.361  2419.74  178.578  2419.74  178.578 -0.000000 0.000000 
1 1 1    0    0   48 o  2171.22  175.044   77.237   11.723   77.237   11.723   77.237   11.723  2171.22  175.044  2171.22  175.044 -0.000000 0.000000 
1 1 1    0    0   50 f  275.018  187.003  -2.3887   4.8963  -2.3887   4.8963  -2.3887   4.8963  275.018  187.003  275.018  187.003 -0.000000 0.000000 
1 1 1    0    0   52 o  3661.80  221.945  226.319   25.234  226.319   25.234  226.319   25.234  3661.80  221.945  3661.80  221.945 -0.000000 0.000000 
1 1 1    0    0   54 o  1026.03  272.680   21.205   7.5693   21.205   7.5693   21.205   7.5693  1026.03  272.680  1026.03  272.680 -0.000000 0.000000 
1 1 1    0    1   41 o  2110.20  183.925   84.262   12.031   84.262   12.031   0.0000   0.0000  2110.20  183.925  ?   ?  0.000000 183.9253 
1 1 1    0    1   43 o  2444.12  202.391  119.862   15.350  119.862   15.350   0.0000   0.0000  2444.12  202.391  ?   ?  0.000000 202.3912 
1 1 1    0    1   45 f  1080.48  203.021   24.493   6.6165   24.493   6.6165   0.0000   0.0000  1080.48  203.021  ?   ?  0.000000 203.0213 
1 1 1    0    1   47 o  1261.20  206.482   34.674   7.8720   34.674   7.8720   0.0000   0.0000  1261.20  206.482  ?   ?  0.000000 206.4818 
1 1 1    0    1   49 o  1445.56  131.743   39.245   5.8978   44.618   8.4564   34.157   8.2296  1410.50  196.830  1163.89  233.929 246.6149 305.7203 
1 1 1    0    1   51 o  1169.10  152.871   29.563   5.4622   24.343   7.8561   34.447   7.5996  767.690  266.909  1091.24  229.677 -323.5551 352.1246 
1 1 1    0    1   53 o  665.469  209.902   16.438   4.8880   18.277   7.0520   14.738   6.7813  519.776  227.500  474.708  214.384 45.06824 312.5968 
1 1 1    0    1   57 o  291.727  137.644   4.4154   3.2808   0.0000   0.0000   4.4154   3.2808  ?   ?   291.727  137.644 0.000000 137.6437 
1 1 1    0    1   59 f  248.592  123.618   4.6230   3.7599   0.0000   0.0000   4.6230   3.7599  ?   ?   248.592  123.618 0.000000 123.6177 
1 1 1    0    1   61 o  303.485  149.172   21.904   4.9310   19.941   9.1909   22.697   5.8431  ?   ?   262.630  133.387 0.000000 133.3866 
1 1 1    0    2    8 o  1589.06   85.690   39.707   4.2480   39.707   4.2480   0.0000   0.0000  1589.06   85.690  ?   ?  0.000000 85.69028 
1 1 1    0    2   10 o  4884.10   7.8825  373.476   1.2055  3002.69   3.4187   0.1315   1.2882 13848.69   7.8837  241.652  101.247 13607.04 101.5534 
1 1 1    0    2   12 o  297.442  100.771   1.2845   1.1178   1.2845   1.1178   0.0000   0.0000  297.442  100.771  ?   ?  0.000000 100.7708 
1 1 1    0    2   18 o  106.758   44.785   0.0230   0.2526   0.0000   0.0000   0.0230   0.2526  ?   ?   106.758   44.785 0.000000 44.78528 
1 1 1    0    2   20 o  185.387   72.514   0.3188   0.6107   0.0000   0.0000   0.3188   0.6107  ?   ?   185.387   72.514 0.000000 72.51407 
1 1 1    0    2   22 f  204.506   79.378   0.4111   0.7275   0.0000   0.0000   0.4111   0.7275  ?   ?   204.506   79.378 0.000000 79.37819 
1 1 1    0    2   24 o  204.706   81.013   0.3585   0.7703   0.0000   0.0000   0.3585   0.7703  ?   ?   204.706   81.013 0.000000 81.01298 
1 1 1    0    2   26 o  894.327  134.716   13.201   3.6555   0.0000   0.0000   13.201   3.6555  ?   ?   894.327  134.716 0.000000 134.7162 
1 1 1    0    2   28 o  1049.42  138.448   18.352   4.4383   0.0000   0.0000   18.352   4.4383  ?   ?   1049.42  138.448 0.000000 138.4482 
1 1 1    0    2   30 o  1116.33  141.268   20.986   4.8275   0.0000   0.0000   20.986   4.8275  ?   ?   1116.33  141.268 0.000000 141.2685 
1 1 1    0    2   32 o  3742.47  241.502  266.571   28.150   0.0000   0.0000  266.571   28.150  ?   ?   3742.47  241.502 0.000000 241.5017 
1 1 1    0    2   34 o  1940.82  161.806   66.289   9.7436   0.0000   0.0000   66.289   9.7436  ?   ?   1940.82  161.806 0.000000 161.8058 
1 1 1    0    2   36 o  596.501  126.579   6.2615   2.2910   8.8956   4.0266   5.0005   2.7860  677.671  184.706  522.096  157.376 155.5749 242.6591 
1 1 1    0    2   38 o  1997.53  107.997   67.036   6.7298   80.398   9.8054   55.136   9.2534  2125.78  148.238  1721.05  174.102 404.7305 228.6615 
1 1 1    0    2   40 o  1755.52  107.920   51.693   5.9036   59.685   8.7091   44.898   8.0300  1826.30  153.725  1566.80  166.214 259.4978 226.4031 
1 1 1    0    2   42 o  2661.62  136.110  124.077   11.306  113.194   16.216  134.371   15.771  2342.70  223.776  2635.41  192.446 -292.7117 295.1457 
1 1 1    0    2   44 o  521.519  147.652   5.1144   2.5202   4.9879   4.8737   5.1606   2.9444  514.812  203.765  517.855  162.851 -3.043457 260.8461 
1 1 1    0    2   46 o  3417.75  161.879  223.898   17.324  227.771   24.753  220.181   24.254  3021.53  264.286  2976.39  262.949 45.14258 372.8127 
1 1 1    0    2   48 o  3058.08  156.557  182.237   14.941  178.595   21.421  185.687   20.850  2584.99  268.572  2718.69  247.633 -133.6980 365.3123 
1 1 1    0    2   50 o  812.518  148.371   13.469   3.6357   14.829   6.6364   12.886   4.3460  664.581  243.678  738.716  187.548 -74.13568 307.4954 
1 1 1    0    2   52 o  2934.61  133.857  184.566   12.300  161.031   21.617  195.835   14.958  1054.55  425.159  2789.44  172.089 -1734.890 458.6669 
1 1 1    0    2   56 o  331.178  165.206   13.230   6.9396   0.0000   0.0000   13.230   6.9396  ?   ?   331.178  165.206 0.000000 165.2060 
1 1 1    0    2   60 o  497.627  240.436  129.110   11.363  147.276   17.043  114.574   15.246  ?   ?   ?   ?  0.000000      ? 
1 1 1    0    3    7 o 10777.58  339.560  1860.28  114.592  1860.28  114.592   0.0000   0.0000 10777.58  339.560  ?   ?  0.000000 339.5599 
1 1 1    0    3    9 f  1767.04   92.198   49.112   5.0836   49.112   5.0836   0.0000   0.0000  1767.04   92.198  ?   ?  0.000000 92.19762 
1 1 1    0    3   11 o  966.308   77.043   14.736   2.3117   14.736   2.3117   0.0000   0.0000  966.308   77.043  ?   ?  0.000000 77.04283 
1 1 1    0    3   13 o  1735.78  100.618   47.510   5.4453   47.510   5.4453   0.0000   0.0000  1735.78  100.618  ?   ?  0.000000 100.6180 
1 1 1    0    3   15 o  2410.18  101.073   91.438   7.6278   91.438   7.6278   0.0000   0.0000  2410.18  101.073  ?   ?  0.000000 101.0729 
1 1 1    0    3   17 o  685.085   88.291   7.5084   1.8499   7.5084   1.8499   0.0000   0.0000  685.085   88.291  ?   ?  0.000000 88.29055 
1 1 1    0    3   21 o  149.723   59.902   0.1681   0.4255   0.0000   0.0000   0.1681   0.4255  ?   ?   149.723   59.902 0.000000 59.90182 
1 1 1    0    3   23 o  171.092   67.576   0.2516   0.5350   0.0000   0.0000   0.2516   0.5350  ?   ?   171.092   67.576 0.000000 67.57618 
1 1 1    0    3   25 o  1299.89   35.126   26.507   1.4297   90.158   2.6398   0.0877   1.7007  2397.31   35.167  271.510  115.176 2125.799 120.4248 
1 1 1    0    3   27 o  320.600   95.956   1.6627   1.0384   3.5088   1.9459   0.9277   1.2279  458.321  129.737  277.167  104.212 181.1540 166.4085 
1 1 1    0    3   29 o  1436.29   52.510   32.556   2.3616   82.822   3.7654  -0.0372   3.0320  2290.88   52.492  348.606  150.911 1942.276 159.7798 
1 1 1    0    3   31 o  1919.97  101.923   59.870   6.1056   70.300   8.9196   50.675   8.3752  2049.10  139.852  1724.08  156.855 325.0190 210.1477 
1 1 1    0    3   33 o  870.064   95.511   12.420   2.5593   21.217   4.3386   7.7257   3.1695  1123.10  125.519  658.946  156.022 464.1548 200.2447 
1 1 1    0    3   35 o  1472.83   91.601   35.558   4.2035   53.235   6.4830   22.735   5.5215  1778.77  117.049  1124.64  161.421 654.1370 199.3921 
1 1 1    0    3   37 o  941.480  113.843   15.095   3.2879   15.123   5.3998   15.079   4.1449  872.029  201.761  915.517  149.767 -43.48816 251.2718 
1 1 1    0    3   39 o  2509.15  114.793  106.029   9.0190  126.898   13.107   87.261   12.430  2659.68  158.092  2152.62  186.240 507.0525 244.2917 
1 1 1    0    3   41 o  2360.57  117.636   94.350   8.6951  104.343   12.653   85.408   11.969  2382.00  170.776  2135.93  180.653 246.0723 248.5958 
1 1 1    0    3   43 o  1345.23  110.638   30.819   4.6190   35.097   7.3048   27.969   5.9623  1358.03  175.920  1231.73  158.250 126.2926 236.6239 
1 1 1    0    3   45 o  984.260  117.912   16.982   3.5617   24.606   6.2725   13.354   4.3269  1105.04  188.012  822.618  173.445 282.4225 255.7957 
1 1 1    0    3   47 f  1424.68  123.256   36.283   5.4443   30.949   8.5452   39.927   7.0635  1120.51  249.912  1437.34  159.640 -316.8359 296.5487 
1 1 1    0    3   49 o  1267.51  112.952   28.893   4.4359   45.119   7.5780   20.435   5.4713  1481.29  166.248  963.843  188.040 517.4481 250.9931 
1 1 1    0    3   51 o  503.748  160.233   6.0416   2.8438   10.266   6.3707   4.9904   3.1780  513.527  220.504  447.436  167.768 66.09106 277.0709 
1 1 1    0    3   55 o  1063.45  111.907   25.524   3.6705   0.0000   0.0000   25.524   3.6705  ?   ?   1063.45  111.907 0.000000 111.9072 
1 1 1    0    3   57 o  1417.34  223.142  101.444   9.5757   0.0000   0.0000  101.444   9.5757  ?   ?   1417.34  223.142 0.000000 223.1419 
1 1 1    0    3   59 o  ?   ?    38.321   11.722   38.321   11.722   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    0    4    6 o  122.029   51.276   0.0256   0.3320   0.0000   0.0000   0.0256   0.3320  ?   ?   122.029   51.276 0.000000 51.27648 
1 1 1    0    4    8 o  1761.12  100.198   48.825   5.5026   54.601   7.7930   43.083   7.7707  1858.85  134.806  1647.63  152.345 211.2235 203.4247 
1 1 1    0    4   10 o  1641.33   93.400   42.415   4.7804   42.415   4.7804   0.0000   0.0000  1641.33   93.400  ?   ?  0.000000 93.39977 
1 1 1    0    4   12 o  3667.19  140.690  212.071   16.155  212.071   16.155   0.0000   0.0000  3667.19  140.690  ?   ?  0.000000 140.6903 
1 1 1    0    4   14 o  3045.70  133.749  146.518   12.755  146.518   12.755   0.0000   0.0000  3045.70  133.749  ?   ?  0.000000 133.7486 
1 1 1    0    4   16 o  2629.56  169.174  110.707   13.856  110.707   13.856   0.0000   0.0000  2629.56  169.174  ?   ?  0.000000 169.1742 
1 1 1    0    4   18 o  1011.94  131.815   16.509   4.0776   16.509   4.0776   0.0000   0.0000  1011.94  131.815  ?   ?  0.000000 131.8152 
1 1 1    0    4   20 o  538.447  129.022   4.7866   2.1469   4.7866   2.1469   0.0000   0.0000  538.447  129.022  ?   ?  0.000000 129.0222 
1 1 1    0    4   22 o  2978.78  120.490  141.052   11.238  141.052   11.238   0.0000   0.0000  2978.78  120.490  ?   ?  0.000000 120.4902 
1 1 1    0    4   24 o  401.203   46.938   2.5622   0.5785   25.306   1.8689   0.1518   0.6084  1269.36   47.019  172.053   70.592 1097.309 84.81802 
1 1 1    0    4   26 o  512.683   56.802   4.1917   0.8965   20.789   2.1024   0.5026   0.9912  1146.88   58.741  233.788   92.095 913.0898 109.2341 
1 1 1    0    4   28 o  642.714   50.857   6.5513   1.0151   35.386   2.3515  -0.0536   1.1254  1498.44   50.116  215.339   92.577 1283.102 105.2721 
1 1 1    0    4   30 o  851.133   56.361   11.501   1.4936   37.274   2.7631   0.8626   1.7753  1535.18   57.481  306.586  122.461 1228.598 135.2799 
1 1 1    0    4   32 o  359.822  107.502   2.1462   1.3042   7.2687   3.4988   1.3196   1.4055  636.355  171.647  308.486  112.289 327.8696 205.1134 
1 1 1    0    4   34 o  756.679   94.004   9.4543   2.1793   22.066   4.2806   5.0419   2.5320  1143.66  121.390  532.203  147.053 611.4588 190.6837 
1 1 1    0    4   36 o  895.569  111.260   13.576   3.0528   14.841   5.2646   12.936   3.7471  872.152  197.381  852.236  145.647 19.91632 245.3002 
1 1 1    0    4   38 o  1618.81  106.743   43.819   5.3803   48.097   8.1464   40.509   7.1655  1631.99  161.536  1505.89  154.134 126.1063 223.2737 
1 1 1    0    4   40 o  2521.67  125.468  108.276   9.9069  109.667   14.384  107.021   13.665  2406.93  192.463  2396.30  183.507 10.63379 265.9262 
1 1 1    0    4   42 o  777.097  120.083   10.460   2.8278   16.455   5.4217   8.2197   3.3143  913.851  195.391  662.353  161.303 251.4979 253.3695 
1 1 1    0    4   44 f  2765.94  122.090  132.641   10.574  158.735   15.425  109.507   14.524  2891.54  171.124  2324.58  201.526 566.9612 264.3788 
1 1 1    0    4   46 o  829.865  124.314   12.319   3.1309   18.652   6.0896   10.043   3.6503  918.630  215.435  712.954  166.523 205.6763 272.2906 
1 1 1    0    4   48 o  1818.68  127.575   60.201   7.2191   53.617   10.982   65.212   9.5800  1469.29  247.489  1793.70  172.703 -324.4066 301.7901 
1 1 1    0    4   50 o  581.323  168.764   7.6877   3.2532   0.0000   0.0000   7.6877   3.2532  ?   ?   581.323  168.764 0.000000 168.7641 
1 1 1    0    4   52 o  1393.61  219.542   60.007   9.2632   0.0000   0.0000   60.007   9.2632  ?   ?   1393.61  219.542 0.000000 219.5417 
1 1 1    0    4   54 o  571.608  176.805   10.980   3.4868   14.836   8.5924   10.220   3.8151  380.262  188.718  504.543  184.793 -124.2811 264.1268 
1 1 1    0    4   56 o  522.537  259.589  135.126   16.418   0.0000   0.0000  135.126   16.418  ?   ?   522.537  259.589 0.000000 259.5885 
1 1 1    0    4   58 o  653.226  188.436   20.979   4.0673   0.0000   0.0000   20.979   4.0673  ?   ?   653.226  188.436 0.000000 188.4358 
1 1 1    0    4   60 o  ?   ?    97.888   13.038   0.0000   0.0000   97.888   13.038  ?   ?   ?   ?  0.000000      ? 
1 1 1    0    5    1 o  6369.21  217.842  640.771   43.445  640.771   43.445   0.0000   0.0000  6369.21  217.842  ?   ?  0.000000 217.8424 
1 1 1    0    5    3 o  5736.76  161.121  517.846   28.943  543.721   35.452  466.137   50.117  5871.99  192.813  5402.58  297.401 469.4014 354.4349 
1 1 1    0    5    5 f  2128.25   86.644   71.025   5.7740   84.694   7.0753   43.771   9.9908  2323.56   97.247  1654.01  196.767 669.5563 219.4861 
1 1 1    0    5    7 o  4053.41  121.571  258.119   15.430  252.154   18.890  270.078   26.748  4002.61  150.721  4127.66  207.614 -125.0435 256.5548 
1 1 1    0    5    9 o  7659.11  207.678  929.472   49.806  929.798   60.992  928.818   86.291  7637.43  255.039  7563.60  364.351 73.83740 444.7435 
1 1 1    0    5   11 o  457.495   41.416   3.3058   0.5869   7.0279   1.0052   1.3810   0.7229  667.958   48.388  291.630   77.743 376.3276 91.57161 
1 1 1    0    5   13 o  911.224  131.193   13.370   3.6354   13.370   3.6354   0.0000   0.0000  911.224  131.193  ?   ?  0.000000 131.1926 
1 1 1    0    5   15 f  1112.00   97.771   19.622   3.3697   19.622   3.3697   0.0000   0.0000  1112.00   97.771  ?   ?  0.000000 97.77128 
1 1 1    0    5   17 o  293.281   88.010   1.3663   0.8727   1.3663   0.8727   0.0000   0.0000  293.281   88.010  ?   ?  0.000000 88.01041 
1 1 1    0    5   19 o  2893.39  122.307  132.675   11.081  132.675   11.081   0.0000   0.0000  2893.39  122.307  ?   ?  0.000000 122.3070 
1 1 1    0    5   21 o  611.053  131.707   6.1658   2.4458   6.1658   2.4458   0.0000   0.0000  611.053  131.707  ?   ?  0.000000 131.7074 
1 1 1    0    5   23 o  2019.15  103.693   64.871   6.5339   64.871   6.5339   0.0000   0.0000  2019.15  103.693  ?   ?  0.000000 103.6934 
1 1 1    0    5   25 o  1084.99   85.240   18.783   2.8726   18.783   2.8726   0.0000   0.0000  1084.99   85.240  ?   ?  0.000000 85.24000 
1 1 1    0    5   27 o  2414.06  123.303   94.790   9.2894   94.790   9.2894   0.0000   0.0000  2414.06  123.303  ?   ?  0.000000 123.3026 
1 1 1    0    5   29 o   43.460   21.095  -0.1556   0.0900   2.3011   1.9861  -0.1607   0.0901  388.430  134.251   43.084   20.957 345.3466 135.8765 
1 1 1    0    5   31 o  523.235   53.289   4.3703   0.8609   44.692   2.7066  -0.1683   0.9080  1682.17   51.384  187.095   81.769 1495.072 96.57362 
1 1 1    0    5   33 o  402.952   80.764   2.6972   0.9835   38.487   3.9527   0.3350   1.0155  1544.56   82.022  223.848   91.448 1320.716 122.8423 
1 1 1    0    5   35 o  1717.67   40.963   46.589   2.2032  322.902   5.8447   0.8247   2.3786  4521.74   41.280  333.010  138.385 4188.729 144.4112 
1 1 1    0    5   37 o  212.921   86.199   0.3538   0.8925   9.2773   3.8889  -0.1424   0.9170  699.742  177.280  187.963   82.159 511.7792 195.3926 
1 1 1    0    5   39 o  1302.95  119.240   28.742   4.8109   20.921   7.5985   33.974   6.2152  993.937  245.576  1393.67  144.524 -399.7374 284.9472 
1 1 1    0    5   41 o  2586.22  111.117  111.973   8.9984  139.925   13.238   87.966   12.268  2812.73  150.857  2173.46  181.942 639.2783 236.3487 
1 1 1    0    5   43 o  3109.23  133.376  168.957   12.985  190.483   18.775  149.219   17.978  3127.11  192.685  2707.39  213.811 419.7266 287.8244 
1 1 1    0    5   45 o  1453.84  109.257   36.228   4.9374   44.466   8.1092   31.376   6.2240  1517.17  173.835  1296.23  156.512 220.9406 233.9117 
1 1 1    0    5   47 o  2965.05  132.250  158.606   12.278  186.294   18.133  135.158   16.686  2990.13  194.727  2472.34  217.767 517.7903 292.1324 
1 1 1    0    5   49 o  215.710   98.949  -0.7056   1.5175   0.0000   0.0000  -0.7056   1.5175  ?   ?   215.710   98.949 0.000000 98.94939 
1 1 1    0    5   51 o  852.289  178.284   17.674   4.6050   0.0000   0.0000   17.674   4.6050  ?   ?   852.289  178.284 0.000000 178.2842 
1 1 1    0    5   53 o  574.087  184.576   10.842   3.7658   0.0000   0.0000   10.842   3.7658  ?   ?   574.087  184.576 0.000000 184.5755 
1 1 1    0    5   55 o  243.588  112.870   0.5625   2.0466   0.0000   0.0000   0.5625   2.0466  ?   ?   243.588  112.870 0.000000 112.8699 
1 1 1    0    5   57 o  255.341  119.429   1.7939   2.3774  -3.9438   9.8211   2.1510   2.4503  ?   ?   262.905  122.391 0.000000 122.3911 
1 1 1    0    5   59 o  ?   ?   196.378   21.985   0.0000   0.0000  196.378   21.985  ?   ?   ?   ?  0.000000      ? 
1 1 1    0    6    0 o 16847.39  548.458  4582.91  289.330  4448.63  409.168  4717.20  409.180 16320.90  800.645 16838.19  776.072 -517.2959 1115.043 
1 1 1    0    6    2 o  5158.31  128.516  418.041   20.758  415.202   29.354  420.881   29.358  5131.63  182.682  5166.85  181.460 -35.21582 257.4885 
1 1 1    0    6    4 o 11617.34  268.295  2147.44   97.597  2165.20  138.022  2129.67  138.024 11571.43  380.929 11472.97  384.203 98.45898 541.0354 
1 1 1    0    6    6 o  3656.71  116.663  210.075   13.358  212.645   23.120  208.787   16.366  3660.87  202.482  3642.25  143.500 18.61523 248.1761 
1 1 1    0    6    8 o  3442.52  111.320  186.247   12.000  179.049   20.758  189.859   14.706  3355.88  198.429  3472.61  135.241 -116.7344 240.1339 
1 1 1    0    6   10 o  3836.92  140.667  232.232   16.900  210.611   23.849  254.041   23.952  3631.27  210.651  4000.33  191.220 -369.0593 284.4973 
1 1 1    0    6   12 o  1360.77   79.688   29.179   3.3807   29.325   4.1289   28.882   5.8885  1362.02   97.457  1344.36  142.035 17.66187 172.2554 
1 1 1    0    6   14 o  4540.93  164.447  328.143   23.382  328.143   23.382   0.0000   0.0000  4540.93  164.447  ?   ?  0.000000 164.4465 
1 1 1    0    6   16 o  301.158   66.053   1.4799   0.6057   8.7871   1.5853   0.2307   0.6555  744.802   68.752  183.704   74.045 561.0979 101.0418 
1 1 1    0    6   18 o  1510.38   94.779   36.103   4.4597   36.103   4.4597   0.0000   0.0000  1510.38   94.779  ?   ?  0.000000 94.77864 
1 1 1    0    6   20 f  1104.05   92.100   19.362   3.1549   19.362   3.1549   0.0000   0.0000  1104.05   92.100  ?   ?  0.000000 92.10018 
1 1 1    0    6   22 o  584.596   90.710   5.5262   1.6067   5.5262   1.6067   0.0000   0.0000  584.596   90.710  ?   ?  0.000000 90.71005 
1 1 1    0    6   24 f  1764.11  104.752   49.767   5.7604   49.767   5.7604   0.0000   0.0000  1764.11  104.752  ?   ?  0.000000 104.7524 
1 1 1    0    6   26 o  1496.69  101.207   36.012   4.7152   36.012   4.7152   0.0000   0.0000  1496.69  101.207  ?   ?  0.000000 101.2073 
1 1 1    0    6   28 o  787.113  101.928   10.116   2.4532   10.116   2.4532   0.0000   0.0000  787.113  101.928  ?   ?  0.000000 101.9278 
1 1 1    0    6   30 o  1175.86   90.170   22.303   3.2947   22.303   3.2947   0.0000   0.0000  1175.86   90.170  ?   ?  0.000000 90.16981 
1 1 1    0    6   32 o  1938.14  107.712   61.509   6.5111   61.509   6.5111   0.0000   0.0000  1938.14  107.712  ?   ?  0.000000 107.7123 
1 1 1    0    6   34 o  522.049   55.988   4.3765   0.9009  109.001   4.5623   0.1310   0.9190  2619.74   55.617  202.936   85.296 2416.804 101.8266 
1 1 1    0    6   36 o  196.818   76.419   0.4093   0.6744   6.9687   4.0570   0.2228   0.6840  604.689  191.282  184.035   75.101 420.6543 205.4967 
1 1 1    0    6   38 o  236.499   83.006   0.8131   0.7607   38.051   4.4446  -0.3106   0.7720  1523.67   93.612  163.544   73.221 1360.124 118.8470 
1 1 1    0    6   40 o  269.328   96.234   1.0467   1.0265   13.332   4.6500   0.4173   1.0525  842.798  181.563  230.665   93.527 612.1330 204.2364 
1 1 1    0    6   42 o  ?   ?   -1.2153   0.2790   0.2653   4.9447  -1.2200   0.2794  418.691  186.532  ?   ?  0.000000 186.5318 
1 1 1    0    6   44 f  3200.03  133.674  180.017   13.394  208.790   19.601  154.809   18.346  3256.51  193.083  2735.21  215.965 521.3018 289.6931 
1 1 1    0    6   46 o  1755.57  164.760   58.708   8.9511   0.0000   0.0000   58.708   8.9511  ?   ?   1755.57  164.760 0.000000 164.7601 
1 1 1    0    6   48 o  2995.13  298.031  260.152   27.580   0.0000   0.0000  260.152   27.580  ?   ?   2995.13  298.031 0.000000 298.0313 
1 1 1    0    6   50 o  1038.96  165.683   23.502   5.2090   0.0000   0.0000   23.502   5.2090  ?   ?   1038.96  165.683 0.000000 165.6833 
1 1 1    0    6   52 o  1862.28  130.611   74.369   7.5681   97.171   12.580   61.434   9.4745  1627.11  255.307  1375.06  228.039 252.0554 342.3206 
1 1 1    0    6   54 o  1344.96  147.853   46.716   6.1239   62.332   11.303   40.228   7.2860  711.643  299.119  950.144  243.713 -238.5016 385.8347 
1 1 1    0    6   56 o  451.407  172.271   9.5113   3.3860   4.4289   10.072   10.159   3.5953  ?   ?   450.735  176.041 0.000000 176.0409 
1 1 1    0    6   58 o  746.694  214.034   32.071   5.2625   49.441   11.335   27.299   5.9416  ?   ?   463.350  205.557 0.000000 205.5566 
1 1 1    0    6   60 o  336.529  162.686   21.562   5.2188   0.0000   0.0000   21.562   5.2188  ?   ?   336.529  162.686 0.000000 162.6861 
1 1 1    0    7    1 o  6216.51  174.182  609.625   33.905  627.445   58.721  600.713   41.527  6260.75  299.535  6158.67  215.342 102.0879 368.9084 
1 1 1    0    7    3 o  7422.03  203.334  871.967   47.255  868.679   81.837  873.612   57.880  7325.36  356.783  7408.60  249.502 -83.24805 435.3676 
1 1 1    0    7    5 o  3196.92  106.993  160.556   10.710  160.279   18.538  160.695   13.122  3177.73  187.130  3195.58  131.141 -17.84961 228.5072 
1 1 1    0    7    7 o  1842.28   85.268   53.270   4.9188   55.371   6.0172   49.038   8.5400  1874.39  102.915  1755.54  157.014 118.8544 187.7363 
1 1 1    0    7    9 o  2426.20   80.538   92.408   6.1185   90.303   8.6492   94.517   8.6565  2395.03  115.332  2450.55  112.814 -55.52783 161.3334 
1 1 1    0    7   11 o  1185.19   77.290   22.152   2.8526   22.787   3.4804   20.851   4.9793  1200.19   93.345  1139.56  142.672 60.62610 170.4954 
1 1 1    0    7   13 o  1389.22   83.664   30.451   3.6224   27.974   6.3280   31.658   4.4179  1318.26  156.348  1414.23  100.417 -95.96838 185.8178 
1 1 1    0    7   15 o  1364.02   48.116   29.174   2.0551   69.029   3.2593   2.8719   2.6478  2098.05   49.612  447.062  154.979 1650.990 162.7264 
1 1 1    0    7   17 o  2571.53  113.342  104.512   9.1264  104.512   9.1264   0.0000   0.0000  2571.53  113.342  ?   ?  0.000000 113.3416 
1 1 1    0    7   19 o  376.946   73.573   2.3115   0.8372   11.224   2.0510   0.5294   0.9171  840.817   78.821  230.300   89.198 610.5170 119.0333 
1 1 1    0    7   21 o  3247.76  193.350  172.521   19.574  172.521   19.574   0.0000   0.0000  3247.76  193.350  ?   ?  0.000000 193.3505 
1 1 1    0    7   23 o  1832.24  103.125   53.572   5.8924   53.572   5.8924   0.0000   0.0000  1832.24  103.125  ?   ?  0.000000 103.1251 
1 1 1    0    7   25 o  1186.61   90.918   22.537   3.3524   22.537   3.3524   0.0000   0.0000  1186.61   90.918  ?   ?  0.000000 90.91750 
1 1 1    0    7   27 o  773.989   99.045   9.7466   2.3454   9.7466   2.3454   0.0000   0.0000  773.989   99.045  ?   ?  0.000000 99.04549 
1 1 1    0    7   29 o  2334.54  105.975   88.003   7.7468   88.003   7.7468   0.0000   0.0000  2334.54  105.975  ?   ?  0.000000 105.9752 
1 1 1    0    7   31 o  1057.37  102.861   18.278   3.3625   18.278   3.3625   0.0000   0.0000  1057.37  102.861  ?   ?  0.000000 102.8606 
1 1 1    0    7   33 o  143.154   55.668   0.2035   0.3583   1.4024   0.8420  -0.0617   0.3960  292.079   86.164  125.061   54.337 167.0175 101.8666 
1 1 1    0    7   35 o  1159.28  107.816   22.363   3.8689   22.363   3.8689   0.0000   0.0000  1159.28  107.816  ?   ?  0.000000 107.8164 
1 1 1    0    7   37 o  332.304   79.440   1.8485   0.8154   54.256   4.7145   0.2326   0.8279  1832.79   82.150  199.829   82.208 1632.962 116.2191 
1 1 1    0    7   39 o  152.843   64.049   0.0696   0.5157   28.503   5.3011  -0.2020   0.5181  1291.13  133.028  135.030   60.253 1156.097 146.0375 
1 1 1    0    7   41 o  456.950   89.588   3.5129   1.2360   65.383   5.8573   0.6293   1.2645  1997.55   93.644  258.208  103.276 1739.344 139.4100 
1 1 1    0    7   43 o  289.394  104.580   1.2266   1.2160   0.0000   0.0000   1.2266   1.2160  ?   ?   289.394  104.580 0.000000 104.5800 
1 1 1    0    7   45 o  282.058  104.383   1.1276   1.2224   0.0000   0.0000   1.1276   1.2224  ?   ?   282.058  104.383 0.000000 104.3828 
1 1 1    0    7   47 o  274.989  106.917   0.9559   1.3216   0.0000   0.0000   0.9559   1.3216  ?   ?   274.989  106.917 0.000000 106.9172 
1 1 1    0    7   49 o  2018.91  119.735   74.772   7.5355   93.533   12.307   63.518   9.5312  2026.62  196.395  1711.03  180.629 315.5851 266.8290 
1 1 1    0    7   51 o  862.923  316.514   45.566   11.198   45.566   11.198   0.0000   0.0000  862.923  316.514  ?   ?  0.000000 316.5142 
1 1 1    0    7   53 o  395.803  144.671   4.2120   2.3365   2.6286   9.1117   4.3235   2.4174  342.480  173.164  397.407  146.847 -54.92682 227.0463 
1 1 1    0    7   55 o  510.565  168.515   9.2787   3.1286   11.034   10.101   9.0925   3.2904  ?   ?   483.774  172.353 0.000000 172.3526 
1 1 1    0    7   57 o  456.538  171.587   10.355   3.3282   15.270   10.767   9.8361   3.4996  ?   ?   418.289  170.194 0.000000 170.1943 
1 1 1    0    7   59 o  707.666  241.434   46.103   6.4169   63.421   13.305   40.854   7.3252  ?   ?   419.844  200.273 0.000000 200.2733 
1 1 1    0    8    0 o  3568.50  200.008  201.279   22.258   0.0000   0.0000  201.279   22.258  ?   ?   3568.50  200.008 0.000000 200.0078 
1 1 1    0    8    2 o  377.804   90.392   2.3309   1.0550   1.9801   1.9908   2.4679   1.2441  380.070  134.204  389.195  101.154 -9.124298 168.0565 
1 1 1    0    8    4 o  3984.28  123.575  249.893   15.417  234.796   26.705  257.440   18.881  3832.30  223.511  4038.95  149.295 -206.6511 268.7862 
1 1 1    0    8    6 o  3679.71  100.572  212.848   11.588  213.747   16.385  211.949   16.391  3680.05  142.189  3664.41  142.851 15.64526 201.5540 
1 1 1    0    8    8 o  1768.63   72.370   49.091   4.0078   52.348   5.6653   45.827   5.6706  1821.73   99.695  1703.12  106.873 118.6057 146.1539 
1 1 1    0    8   10 o  579.670   83.873   5.3888   1.4781   6.5448   1.7918   2.9268   2.6149  638.613   92.285  449.184  154.111 189.4291 179.6295 
1 1 1    0    8   12 o  1519.75   78.886   36.390   3.7410   34.651   4.5922   39.821   6.4507  1480.07   99.668  1581.47  131.457 -101.4049 164.9685 
1 1 1    0    8   14 o  1998.72   87.088   62.846   5.4504   62.224   6.6866   64.079   9.4088  1983.35  108.076  2003.15  151.116 -19.80505 185.7867 
1 1 1    0    8   16 o  2196.43  156.623   77.213   10.701   0.0000   0.0000   77.213   10.701  ?   ?   2196.43  156.623 0.000000 156.6229 
1 1 1    0    8   18 o  442.961  102.763   3.2222   1.3978   4.2835   2.3660   2.6533   1.7324  511.265  142.474  408.158  124.341 103.1076 189.1018 
1 1 1    0    8   20 o  1176.02   77.387   21.884   2.8338   34.108   4.2814   12.354   3.7803  1466.21   93.745  867.894  144.164 598.3171 171.9639 
1 1 1    0    8   22 o  489.617   82.608   3.8914   1.2214   7.8115   1.7888   0.4673   1.6718  698.021   83.498  285.585  117.078 412.4361 143.8028 
1 1 1    0    8   24 o  380.247  111.925   2.3582   1.4221   2.3582   1.4221   0.0000   0.0000  380.247  111.925  ?   ?  0.000000 111.9253 
1 1 1    0    8   26 o  2701.16  123.201  118.134   10.420  118.134   10.420   0.0000   0.0000  2701.16  123.201  ?   ?  0.000000 123.2011 
1 1 1    0    8   28 o  1296.51   98.193   27.109   3.9567   27.109   3.9567   0.0000   0.0000  1296.51   98.193  ?   ?  0.000000 98.19288 
1 1 1    0    8   30 o  504.381  116.504   4.3027   1.8029   4.3027   1.8029   0.0000   0.0000  504.381  116.504  ?   ?  0.000000 116.5042 
1 1 1    0    8   32 o  1473.28  105.323   35.584   4.8267   35.584   4.8267   0.0000   0.0000  1473.28  105.323  ?   ?  0.000000 105.3225 
1 1 1    0    8   34 o  628.066  130.049   6.8345   2.4734   6.8345   2.4734   0.0000   0.0000  628.066  130.049  ?   ?  0.000000 130.0491 
1 1 1    0    8   36 o  964.782  106.954   15.458   3.1767   15.458   3.1767   0.0000   0.0000  964.782  106.954  ?   ?  0.000000 106.9545 
1 1 1    0    8   38 f  1155.95   41.740   21.079   1.5108   48.126   2.2989   0.5169   2.0044  1746.56   42.036  303.092  126.584 1443.468 133.3811 
1 1 1    0    8   40 o  249.875   91.913   0.8352   0.9452   0.0000   0.0000   0.8352   0.9452  ?   ?   249.875   91.913 0.000000 91.91258 
1 1 1    0    8   42 o  110.264   49.337  -0.1491   0.3500   0.0000   0.0000  -0.1491   0.3500  ?   ?   110.264   49.337 0.000000 49.33710 
1 1 1    0    8   44 o  116.068   52.465  -0.2136   0.4072   0.0000   0.0000  -0.2136   0.4072  ?   ?   116.068   52.465 0.000000 52.46517 
1 1 1    0    8   46 o  440.489  109.808   3.4287   1.5093   39.943   7.4867   1.8820   1.5409  1448.18  168.236  339.344  118.194 1108.832 205.6049 
1 1 1    0    8   48 o  337.190  112.499   1.9815   1.3930   24.056   7.7483   1.2442   1.4160  946.997  255.434  293.084  111.512 653.9133 278.7136 
1 1 1    0    8   50 o  1645.78  316.664  103.846   15.726  103.846   15.726   0.0000   0.0000  1645.78  316.664  ?   ?  0.000000 316.6640 
1 1 1    0    8   52 o  607.695  128.672   7.9858   2.3722   72.059   9.6583   3.8725   2.4471  1569.10  201.214  392.242  147.189 1176.854 249.3022 
1 1 1    0    8   54 o  752.894  171.250   16.620   3.9461   16.913   10.293   16.569   4.2726  374.127  188.590  699.443  190.107 -325.3158 267.7812 
1 1 1    0    8   56 o  854.755  201.613   29.424   5.3086   29.077   12.011   29.508   5.9180  ?   ?   715.048  231.539 0.000000 231.5386 
1 1 1    0    8   58 o  293.157  129.581   3.6463   2.3403   5.9440   10.762   3.5323   2.3976  ?   ?   287.903  128.957 0.000000 128.9573 
1 1 1    0    9    1 f  3782.67  103.024  224.995   12.203  220.361   17.254  229.632   17.261  3735.00  147.528  3813.44  144.552 -78.43774 206.5426 
1 1 1    0    9    3 o  1345.03   68.364   28.453   2.8698   28.682   4.0773   28.228   4.0399  1347.32   97.299  1336.57   97.195 10.75256 137.5282 
1 1 1    0    9    5 o  1393.16   79.753   30.574   3.4646   29.159   6.0094   31.279   4.2403  1350.86  144.303  1407.16   96.825 -56.29871 173.7770 
1 1 1    0    9    7 o  5248.32  186.878  438.727   30.711  444.658   43.456  432.809   43.408  5232.01  266.131  5159.20  269.641 72.81299 378.8560 
1 1 1    0    9    9 o  5163.56  185.930  425.184   30.062  415.280   42.543  435.060   42.485  5045.81  270.248  5170.09  263.304 -124.2764 377.3101 
1 1 1    0    9   11 o  2088.76   87.230   68.602   5.7052   66.259   6.9925   73.268   9.8675  2047.38  109.469  2145.09  147.810 -97.70654 183.9327 
1 1 1    0    9   13 o  566.524   74.770   5.1288   1.2940   5.0681   1.7996   5.1938   1.8619  557.824  106.919  564.474  109.289 -6.650208 152.8915 
1 1 1    0    9   15 o  3035.34   92.342  145.095   8.7765  145.852   12.408  144.337   12.416  3034.37  130.591  3018.36  131.368 16.01074 185.2332 
1 1 1    0    9   17 o  1931.01  108.198   59.120   6.5159   55.391   9.3092   62.702   9.1232  1854.45  161.942  1978.15  148.370 -123.6982 219.6336 
1 1 1    0    9   19 o  1185.55   79.561   22.250   2.9364   21.920   3.6371   22.866   4.9762  1172.96   99.981  1189.68  136.028 -16.71643 168.8190 
1 1 1    0    9   21 o  514.773   91.364   4.3184   1.4187   4.0586   1.7642   4.7940   2.3871  494.859  115.890  536.263  140.478 -41.40451 182.1110 
1 1 1    0    9   23 o  2736.94  177.840  124.283   15.158  124.283   15.158   0.0000   0.0000  2736.94  177.840  ?   ?  0.000000 177.8403 
1 1 1    0    9   25 o  2072.29  108.231   69.043   6.9986   70.782   9.9049   67.309   9.8901  2071.08  153.833  2016.65  157.882 54.42688 220.4343 
1 1 1    0    9   27 o  ?   ?   -1.4046   0.2920   2.3347   0.6995  -2.1939   0.3214  379.880   60.860  ?   ?  0.000000 60.85993 
1 1 1    0    9   29 o  405.980  113.803   2.7522   1.5049   2.7522   1.5049   0.0000   0.0000  405.980  113.803  ?   ?  0.000000 113.8033 
1 1 1    0    9   31 o  330.148  119.279   1.5459   1.5817   1.5459   1.5817   0.0000   0.0000  330.148  119.279  ?   ?  0.000000 119.2788 
1 1 1    0    9   33 o  1204.09  142.352   24.785   5.2632   24.785   5.2632   0.0000   0.0000  1204.09  142.352  ?   ?  0.000000 142.3523 
1 1 1    0    9   35 o  655.630  141.402   7.5006   2.8176   7.5006   2.8176   0.0000   0.0000  655.630  141.402  ?   ?  0.000000 141.4025 
1 1 1    0    9   37 o  1001.59  140.851   17.182   4.2953   17.182   4.2953   0.0000   0.0000  1001.59  140.851  ?   ?  0.000000 140.8510 
1 1 1    0    9   39 o  1518.87  148.240   39.794   6.9603   39.794   6.9603   0.0000   0.0000  1518.87  148.240  ?   ?  0.000000 148.2400 
1 1 1    0    9   41 o  1385.66   95.801   31.569   4.1312   31.569   4.1312   0.0000   0.0000  1385.66   95.801  ?   ?  0.000000 95.80116 
1 1 1    0    9   43 o  812.525  264.640   15.405   7.7254   15.405   7.7254   0.0000   0.0000  812.525  264.640  ?   ?  0.000000 264.6399 
1 1 1    0    9   45 f  2872.33  246.817  180.889   21.983  180.889   21.983   0.0000   0.0000  2872.33  246.817  ?   ?  0.000000 246.8172 
1 1 1    0    9   47 o  1403.73  263.372   48.809   11.151   48.809   11.151   0.0000   0.0000  1403.73  263.372  ?   ?  0.000000 263.3723 
1 1 1    0    9   49 o  619.218  265.602   16.687   9.2254   16.687   9.2254   0.0000   0.0000  619.218  265.602  ?   ?  0.000000 265.6023 
1 1 1    0    9   51 o  678.099  289.109   34.767   10.812   34.767   10.812   0.0000   0.0000  678.099  289.109  ?   ?  0.000000 289.1095 
1 1 1    0    9   53 o  166.652   75.033  -0.1540   0.8234   27.139   9.2530  -0.3719   0.8267  521.898  241.182  157.646   72.579 364.2522 251.8656 
1 1 1    0    9   55 o  210.859   91.671   0.4703   1.1284   31.382   10.376   0.1003   1.1351  412.254  205.058  195.802   88.134 216.4520 223.1963 
1 1 1    0    9   57 o  ?   ?   -2.9232   0.3660   29.611   10.893  -2.9600   0.3662  ?   ?   ?   ?  0.000000      ? 
1 1 1    0    9   59 o  174.488   84.509  -0.5354   1.4240   5.1430   10.804  -0.6358   1.4365  ?   ?   172.943   84.024 0.000000 84.02375 
1 1 1    0   10    0 o  2769.35  121.531  120.490   10.539  126.254   14.908  114.732   14.900  2825.26  169.297  2691.33  177.806 133.9307 245.5130 
1 1 1    0   10    2 o  3652.64  143.232  210.918   16.382  211.035   23.172  210.802   23.163  3630.02  204.699  3628.00  204.733 2.019775 289.5118 
1 1 1    0   10    4 f  1515.88   81.560   36.196   3.8571   36.954   4.7324   34.697   6.6570  1529.48   99.352  1474.03  146.157 55.44775 176.7278 
1 1 1    0   10    6 o  1464.26   80.946   33.780   3.6969   33.943   4.5308   33.456   6.3948  1465.47   99.322  1447.57  142.950 17.90271 174.0676 
1 1 1    0   10    8 o  347.242   89.911   1.9666   0.9853   2.0399   1.3664   1.8873   1.4222  359.944  110.572  351.349  113.477 8.595245 158.4394 
1 1 1    0   10   10 o  2207.37   90.120   76.628   6.2289   77.310   10.796   76.287   7.6263  2201.65  157.645  2197.13  111.214 4.518066 192.9260 
1 1 1    0   10   12 o  1137.30   98.869   20.522   3.4859   19.097   4.9235   21.954   4.9360  1087.56  148.457  1169.76  137.375 -82.20044 202.2658 
1 1 1    0   10   14 o  1951.86   88.123   59.966   5.3859   57.200   9.3710   61.330   6.5814  1888.42  159.983  1968.58  107.174 -80.16077 192.5635 
1 1 1    0   10   16 o  1091.61   83.587   18.872   2.8354   12.242   4.9331   22.142   3.4649  855.844  189.119  1181.19   94.472 -325.3459 211.4024 
1 1 1    0   10   18 o  3135.86  106.326  155.801   10.440  148.856   12.799  169.610   18.048  3054.64  133.817  3232.56  179.001 -177.9272 223.4914 
1 1 1    0   10   20 o  1715.66  103.402   46.916   5.5290   47.909   7.9573   45.990   7.6879  1717.48  149.455  1683.34  147.338 34.13379 209.8695 
1 1 1    0   10   22 o  2730.43  126.764  119.870   10.838  109.378   15.426  130.097   15.230  2557.54  194.069  2807.50  174.108 -249.9514 260.7228 
1 1 1    0   10   24 o  2459.60  116.399   97.176   8.9646   98.371   12.660   95.973   12.696  2437.57  166.867  2405.39  169.652 32.18530 237.9627 
1 1 1    0   10   26 o  1776.17  103.107   50.693   5.7097   50.693   5.7097   0.0000   0.0000  1776.17  103.107  ?   ?  0.000000 103.1067 
1 1 1    0   10   28 o  2020.14  110.460   66.080   6.9608   69.879   10.347   62.939   9.4081  2038.34  163.485  1939.78  156.217 98.56396 226.1219 
1 1 1    0   10   30 o  1156.32   96.299   21.686   3.4550   17.897   4.8930   25.455   4.8793  1020.08  158.318  1237.79  127.728 -217.7026 203.4180 
1 1 1    0   10   32 o  962.129  140.540   15.777   4.1091   15.777   4.1091   0.0000   0.0000  962.129  140.540  ?   ?  0.000000 140.5397 
1 1 1    0   10   34 o  1651.42  108.311   44.689   5.5698   44.689   5.5698   0.0000   0.0000  1651.42  108.311  ?   ?  0.000000 108.3112 
1 1 1    0   10   36 o  2578.46  114.573  108.981   9.2503  108.981   9.2503   0.0000   0.0000  2578.46  114.573  ?   ?  0.000000 114.5725 
1 1 1    0   10   38 o  352.242  121.556   1.9127   1.6280   1.9127   1.6280   0.0000   0.0000  352.242  121.556  ?   ?  0.000000 121.5556 
1 1 1    0   10   40 o  2820.86  112.246  131.603   9.9145  131.603   9.9145   0.0000   0.0000  2820.86  112.246  ?   ?  0.000000 112.2461 
1 1 1    0   10   42 o  1575.97  106.597   41.303   5.2294   41.303   5.2294   0.0000   0.0000  1575.97  106.597  ?   ?  0.000000 106.5972 
1 1 1    0   10   44 o  804.972  137.176   11.464   3.3336   11.464   3.3336   0.0000   0.0000  804.972  137.176  ?   ?  0.000000 137.1758 
1 1 1    0   10   46 o  733.561  278.368   15.017   8.8095   15.017   8.8095   0.0000   0.0000  733.561  278.368  ?   ?  0.000000 278.3685 
1 1 1    0   10   48 o  1114.73  309.079   41.607   11.164   41.607   11.164   0.0000   0.0000  1114.73  309.079  ?   ?  0.000000 309.0789 
1 1 1    0   10   50 o  926.647  329.202   48.353   11.996   48.353   11.996   0.0000   0.0000  926.647  329.202  ?   ?  0.000000 329.2015 
1 1 1    0   10   52 o  488.187  235.893   24.123   10.942   24.123   10.942   0.0000   0.0000  488.187  235.893  ?   ?  0.000000 235.8929 
1 1 1    0   10   54 o  408.456  205.460   28.041   11.870   28.041   11.870   0.0000   0.0000  408.456  205.460  ?   ?  0.000000 205.4599 
1 1 1    0   10   56 o  ?   ?    32.434   12.672   32.434   12.672   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    0   10   58 o  ?   ?    96.855   17.168   96.855   17.168   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    0   11    1 o  1154.57   99.373   21.121   3.5576   21.121   3.5576   0.0000   0.0000  1154.57   99.373  ?   ?  0.000000 99.37337 
1 1 1    0   11    3 o  2122.67   89.128   70.812   5.9240   72.069   7.2541   68.296   10.264  2136.71  108.783  2070.02  159.589 66.68237 193.1383 
1 1 1    0   11    5 o  2866.09   87.453  129.094   7.8484  132.898   11.102  125.293   11.097  2902.82  122.136  2817.92  125.765 84.89575 175.3118 
1 1 1    0   11    7 o  298.057   95.420   1.3631   1.0073   3.4121   1.4396  -0.6019   1.4098  456.608  103.127  222.258   99.267 234.3501 143.1404 
1 1 1    0   11    9 o  2212.23   90.644   76.970   6.2790   77.519   7.6751   75.860   10.918  2217.66  110.528  2179.90  161.097 37.75757 195.3686 
1 1 1    0   11   11 o  785.300   69.869   9.7601   1.7001   8.7356   2.3615   10.862   2.4496  737.176  105.297  825.047   96.650 -87.87097 142.9291 
1 1 1    0   11   13 o  1787.81   73.307   50.231   4.1038   52.038   5.7890   48.406   5.8183  1813.62  102.358  1748.15  106.804 65.47400 147.9333 
1 1 1    0   11   15 o  1615.47  103.493   41.401   5.2076   45.520   7.3903   37.339   7.3393  1684.99  141.377  1520.83  156.345 164.1639 210.7876 
1 1 1    0   11   17 o  1944.59   88.725   59.709   5.4024   52.498   9.3792   63.290   6.6089  1796.45  168.715  1995.69  106.141 -199.2428 199.3253 
1 1 1    0   11   19 o  1902.36  109.290   57.747   6.4828   52.805   9.2722   62.473   9.0673  1796.49  166.733  1963.61  148.570 -167.1208 223.3220 
1 1 1    0   11   21 o  2511.94   92.680  100.136   7.2898   93.926   8.9820  112.120   12.478  2422.51  118.410  2624.09  152.519 -201.5750 193.0878 
1 1 1    0   11   23 o  633.145  142.281   6.7412   2.7520  -1.0221   4.9542   10.206   3.3097  425.574  188.302  783.197  140.100 -357.6226 234.7033 
1 1 1    0   11   25 o  2427.67  169.546   98.002   12.807   0.0000   0.0000   98.002   12.807  ?   ?   2427.67  169.546 0.000000 169.5462 
1 1 1    0   11   27 o  2499.91  117.755  101.084   9.2177   98.798   13.019  103.382   13.053  2422.35  172.775  2481.87  168.963 -59.52002 241.6604 
1 1 1    0   11   29 o  1403.19   99.676   31.864   4.3510   32.531   6.1181   31.182   6.1890  1395.04  142.040  1362.29  147.441 32.74963 204.7297 
1 1 1    0   11   31 o  2179.40   90.160   76.338   6.1527   74.790   7.6696   79.134   10.306  2137.23  115.029  2162.67  153.174 -25.43823 191.5567 
1 1 1    0   11   33 o  1090.19   84.034   19.141   2.8465   16.995   3.7127   22.200   4.4337  1012.61  119.389  1156.31  124.412 -143.6990 172.4301 
1 1 1    0   11   35 f  1876.06  103.479   57.152   6.0553   57.152   6.0553   0.0000   0.0000  1876.06  103.479  ?   ?  0.000000 103.4794 
1 1 1    0   11   37 o  755.636  128.162   9.6617   2.9241   9.6617   2.9241   0.0000   0.0000  755.636  128.162  ?   ?  0.000000 128.1620 
1 1 1    0   11   39 o  545.300  135.463   5.1778   2.3026   5.1778   2.3026   0.0000   0.0000  545.300  135.463  ?   ?  0.000000 135.4631 
1 1 1    0   11   41 o  1331.93  109.006   29.440   4.5064   29.440   4.5064   0.0000   0.0000  1331.93  109.006  ?   ?  0.000000 109.0056 
1 1 1    0   11   43 o  1815.27  116.367   55.366   6.5796   55.366   6.5796   0.0000   0.0000  1815.27  116.367  ?   ?  0.000000 116.3673 
1 1 1    0   11   45 o  648.237  148.982   7.7430   2.9606   7.7430   2.9606   0.0000   0.0000  648.237  148.982  ?   ?  0.000000 148.9820 
1 1 1    0   11   47 o  777.514  118.155   10.827   2.7861   10.827   2.7861   0.0000   0.0000  777.514  118.155  ?   ?  0.000000 118.1553 
1 1 1    0   11   49 o  606.050  268.826   18.837   10.159   18.837   10.159   0.0000   0.0000  606.050  268.826  ?   ?  0.000000 268.8263 
1 1 1    0   11   53 o  742.657  336.793  103.476   16.939  103.476   16.939   0.0000   0.0000  742.657  336.793  ?   ?  0.000000 336.7928 
1 1 1    0   11   55 o  ?   ?    0.6982   10.591   0.6982   10.591   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    0   11   57 f  ?   ?    9.1984   11.786   9.1984   11.786   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    0   12    0 f  876.070  102.431   12.210   2.7568   11.710   3.9839   12.670   3.8188  849.211  155.556  886.424  142.406 -37.21259 210.8959 
1 1 1    0   12    2 o  2283.74   79.234   81.909   5.6660   84.775   8.0236   79.057   8.0022  2319.98  110.451  2236.98  114.629 83.00195 159.1823 
1 1 1    0   12    4 o  2860.78  101.642  128.806   9.1049  132.348   11.148  121.713   15.778  2896.33  122.926  2758.77  183.702 137.5588 221.0369 
1 1 1    0   12    6 o  3035.71  105.389  145.143   10.018  148.275   12.268  138.873   17.356  3064.00  127.867  2944.32  189.255 119.6829 228.4019 
1 1 1    0   12    8 o  756.409   86.614   9.1129   2.0145   8.2442   2.4580   10.890   3.5158  714.346  113.699  817.769  142.480 -103.4233 182.2861 
1 1 1    0   12   10 o  1621.54   72.802   41.308   3.6965   40.545   5.1895   42.094   5.2665  1600.30  104.131  1630.80  103.674 -30.49365 146.9407 
1 1 1    0   12   12 o  1534.27   71.645   36.999   3.4420   39.232   4.8445   34.723   4.8912  1574.09   98.789  1479.14  106.314 94.94824 145.1274 
1 1 1    0   12   14 o  2880.67  103.362  131.193   9.3233  130.338   16.183  131.618   11.407  2836.59  183.172  2878.36  126.560 -41.76904 222.6422 
1 1 1    0   12   16 o  1645.30   75.563   42.650   3.8929   46.537   5.5708   38.940   5.4421  1710.67  104.502  1562.42  111.981 148.2545 153.1682 
1 1 1    0   12   18 o  1140.58   74.146   20.600   2.6337   22.735   3.7788   18.582   3.6727  1192.70  102.169  1075.42  110.645 117.2762 150.6013 
1 1 1    0   12   20 o  1195.95  147.118   23.423   5.3931   0.0000   0.0000   23.423   5.3931  ?   ?   1195.95  147.118 0.000000 147.1185 
1 1 1    0   12   22 o  1693.74  151.122   46.922   7.9306   0.0000   0.0000   46.922   7.9306  ?   ?   1693.74  151.122 0.000000 151.1225 
1 1 1    0   12   24 o  2364.29  167.812   92.515   12.343   0.0000   0.0000   92.515   12.343  ?   ?   2364.29  167.812 0.000000 167.8125 
1 1 1    0   12   26 o  351.436  138.737   1.2244   2.2539   0.0000   0.0000   1.2244   2.2539  ?   ?   351.436  138.737 0.000000 138.7374 
1 1 1    0   12   28 o  2353.01   96.573   88.844   7.1153   91.495   8.8249   83.919   12.029  2370.13  119.292  2221.54  174.319 148.5894 211.2293 
1 1 1    0   12   30 o  2947.94  102.554  140.232   9.4665  145.055   11.689  131.039   16.137  2976.33  125.423  2749.43  188.585 226.8984 226.4848 
1 1 1    0   12   32 o  970.037   88.705   15.182   2.6645   13.348   3.4296   17.976   4.2322  895.658  125.752  1038.15  133.270 -142.4906 183.2333 
1 1 1    0   12   34 o  661.633  100.860   7.1984   2.0235   7.4717   2.6497   6.8161   3.1342  664.129  132.064  625.771  159.487 38.35773 207.0682 
1 1 1    0   12   36 o  2314.96  119.000   87.770   8.5968   87.770   8.5968   0.0000   0.0000  2314.96  119.000  ?   ?  0.000000 119.0004 
1 1 1    0   12   38 o  2026.34  110.048   67.218   6.9563   67.218   6.9563   0.0000   0.0000  2026.34  110.048  ?   ?  0.000000 110.0480 
1 1 1    0   12   40 o  1377.20  122.558   31.697   5.2299   31.697   5.2299   0.0000   0.0000  1377.20  122.558  ?   ?  0.000000 122.5577 
1 1 1    0   12   42 o  1788.74  118.167   53.463   6.5812   53.463   6.5812   0.0000   0.0000  1788.74  118.167  ?   ?  0.000000 118.1666 
1 1 1    0   12   44 o  481.563  132.731   4.1235   2.0658   4.1235   2.0658   0.0000   0.0000  481.563  132.731  ?   ?  0.000000 132.7311 
1 1 1    0   12   46 o  1982.95  106.910   67.310   6.6136   67.310   6.6136   0.0000   0.0000  1982.95  106.910  ?   ?  0.000000 106.9105 
1 1 1    0   12   48 o  1276.15  127.014   30.472   5.0080   30.472   5.0080   0.0000   0.0000  1276.15  127.014  ?   ?  0.000000 127.0142 
1 1 1    0   12   50 o  419.363  206.327   3.2647   9.5074   3.2647   9.5074   0.0000   0.0000  419.363  206.327  ?   ?  0.000000 206.3265 
1 1 1    0   12   52 o  459.960  226.230   20.190   11.401   20.190   11.401   0.0000   0.0000  459.960  226.230  ?   ?  0.000000 226.2299 
1 1 1    0   12   54 o  ?   ?    13.470   11.865   13.470   11.865   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    0   12   56 o  ?   ?    14.269   12.138   14.269   12.138   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    0   13    1 o  729.641   75.872   8.4507   1.7081   9.8956   2.4643   7.1148   2.3697  786.240  102.539  661.750  118.722 124.4904 156.8733 
1 1 1    0   13    3 o  3547.34   99.501  198.110   11.052  203.126   15.629  193.092   15.631  3582.45  139.326  3491.84  142.963 90.60034 199.6248 
1 1 1    0   13    5 o  1373.96   70.763   29.721   3.0341   32.896   4.3159   26.620   4.2661  1442.42   96.108  1295.36  106.109 147.0563 143.1634 
1 1 1    0   13    7 o  252.175  101.685   0.4391   1.2367   2.3780   1.5494  -2.9655   2.0531  387.045  117.519  217.532  104.373 169.5131 157.1763 
1 1 1    0   13    9 o  2835.38  102.599  126.835   9.1090  135.254   11.149  109.934   15.797  2923.40  121.799  2607.23  194.904 316.1755 229.8320 
1 1 1    0   13   11 o  1012.17   83.536   16.242   2.6239   17.451   3.1865   13.696   4.6243  1046.99   98.350  910.973  168.315 136.0223 194.9428 
1 1 1    0   13   13 o  1191.91   86.681   22.520   3.2129   27.196   3.9594   13.506   5.4977  1308.44   97.337  894.804  201.112 413.6398 223.4294 
1 1 1    0   13   15 o  1290.49   86.404   26.407   3.4713   28.167   6.4533   25.690   4.1177  1313.61  160.210  1269.05  104.555 44.56702 191.3092 
1 1 1    0   13   17 o  1744.60  104.465   48.475   5.6804   47.171   7.8519   49.908   8.2278  1706.22  148.448  1754.25  151.267 -48.03174 211.9397 
1 1 1    0   13   19 o  678.959   91.150   7.4257   1.8889   6.1727   2.8445   8.4140   2.5263  606.840  150.446  717.762  116.392 -110.9214 190.2133 
1 1 1    0   13   21 o  1921.82  114.390   59.178   6.8525   54.733   10.022   63.081   9.3905  1818.58  178.294  1966.65  153.712 -148.0774 235.4064 
1 1 1    0   13   23 o  1748.94  110.201   49.090   6.0042   52.526   9.0133   46.349   8.0504  1784.04  163.154  1679.39  154.834 104.6504 224.9286 
1 1 1    0   13   25 o  1288.42  186.252   28.308   7.2960   28.308   7.2960   0.0000   0.0000  1288.42  186.252  ?   ?  0.000000 186.2517 
1 1 1    0   13   27 o  1235.51  118.376   24.913   4.5235   21.517   7.1862   27.143   5.8216  1097.16  216.862  1275.74  148.515 -178.5754 262.8415 
1 1 1    0   13   29 o  504.250  156.569   4.2574   2.7314  -3.9135   5.4736   6.9667   3.1519  392.979  182.940  634.868  158.919 -241.8885 242.3266 
1 1 1    0   13   31 f  1679.30   90.057   45.170   4.7182   43.509   5.9325   48.030   7.7833  1635.66  116.595  1700.27  147.661 -64.61243 188.1438 
1 1 1    0   13   33 o  1378.08   85.677   30.394   3.6787   26.810   4.6839   36.165   5.9432  1281.36  118.068  1483.96  129.191 -202.6022 175.0153 
1 1 1    0   13   35 o  3162.03  109.261  161.674   10.818  160.582   13.373  163.740   18.402  3123.38  136.736  3077.74  191.903 45.64209 235.6342 
1 1 1    0   13   37 o  2548.87  100.435  104.947   8.0158   94.893   9.9960  123.058   13.417  2392.08  133.994  2693.71  159.779 -301.6350 208.5279 
1 1 1    0   13   39 o  1496.02  110.833   36.749   5.1549   36.749   5.1549   0.0000   0.0000  1496.02  110.833  ?   ?  0.000000 110.8329 
1 1 1    0   13   41 o  1457.53  115.980   35.237   5.2494   35.237   5.2494   0.0000   0.0000  1457.53  115.980  ?   ?  0.000000 115.9805 
1 1 1    0   13   43 f  768.120  138.228   10.329   3.2024   10.329   3.2024   0.0000   0.0000  768.120  138.228  ?   ?  0.000000 138.2278 
1 1 1    0   13   45 o  1460.35  113.570   36.530   5.1524   36.530   5.1524   0.0000   0.0000  1460.35  113.570  ?   ?  0.000000 113.5702 
1 1 1    0   13   47 o  587.135  138.587   6.6386   2.5069   6.6386   2.5069   0.0000   0.0000  587.135  138.587  ?   ?  0.000000 138.5869 
1 1 1    0   13   49 f  756.715  144.634   11.707   3.3021   11.707   3.3021   0.0000   0.0000  756.715  144.634  ?   ?  0.000000 144.6336 
1 1 1    0   13   51 o  408.899  204.410   4.6149   10.875   4.6149   10.875   0.0000   0.0000  408.899  204.410  ?   ?  0.000000 204.4097 
1 1 1    0   13   53 o  ?   ?  -22.0951   10.472 -22.0951   10.472   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    0   13   55 o  ?   ?    12.248   11.654   12.248   11.654   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    0   14    0 o  2592.43  119.214  105.716   9.6772  107.929   13.691  103.506   13.680  2608.05  168.549  2553.09  172.132 54.95728 240.9112 
1 1 1    0   14    2 f  2520.18   83.271   99.901   6.5712   96.571   9.3016  103.219   9.2846  2471.61  120.187  2556.12  116.001 -84.50366 167.0367 
1 1 1    0   14    4 o  3143.63   92.897  155.657   9.1443  161.850   12.932  149.465   12.932  3196.58  129.202  3070.36  134.509 126.2222 186.5096 
1 1 1    0   14    6 o  2313.19   93.410   84.325   6.7658   89.963   8.2839   73.028   11.726  2386.09  110.874  2127.73  177.622 258.3525 209.3861 
1 1 1    0   14    8 o  1129.72   71.976   20.147   2.5329   22.873   3.7136   17.775   3.4635  1199.79   99.754  1055.46  106.242 144.3209 145.7330 
1 1 1    0   14   10 f  879.111   76.960   12.256   2.0972   11.912   3.0390   12.569   2.8977  859.587  115.858  885.266  106.686 -25.67889 157.4954 
1 1 1    0   14   12 o  1123.45   84.661   20.013   2.9563   25.468   4.9356   16.961   3.6918  1259.20  126.908  1027.47  116.829 231.7316 172.4953 
1 1 1    0   14   14 f  1180.92  153.020   22.737   5.5253   0.0000   0.0000   22.737   5.5253  ?   ?   1180.92  153.020 0.000000 153.0199 
1 1 1    0   14   16 o  842.915   95.347   11.382   2.4723   12.256   3.0382   9.6679   4.2537  871.023  114.142  756.684  181.799 114.3383 214.6607 
1 1 1    0   14   18 o  1518.03   85.907   36.534   4.0667   40.279   4.9904   29.130   7.0162  1590.56  100.721  1328.97  172.686 261.5883 199.9125 
1 1 1    0   14   20 o  2000.13  112.320   63.960   7.0060   76.406   10.154   52.649   9.6794  2169.38  150.404  1787.31  175.207 382.0687 230.9088 
1 1 1    0   14   22 o  1422.26  114.629   32.556   5.0616   27.337   7.6317   36.654   6.7632  1268.26  198.700  1497.42  146.103 -229.1598 246.6327 
1 1 1    0   14   24 o  1358.52  180.191   31.155   7.4760   31.155   7.4760   0.0000   0.0000  1358.52  180.191  ?   ?  0.000000 180.1915 
1 1 1    0   14   26 o  1435.37  117.943   33.438   5.2541   29.529   8.2014   36.159   6.8426  1301.39  208.287  1477.38  149.995 -175.9924 256.6750 
1 1 1    0   14   28 o  989.638  128.016   16.125   3.8740   16.075   6.6505   16.151   4.7661  943.432  227.723  976.961  161.439 -33.52924 279.1423 
1 1 1    0   14   30 o  1960.44  181.898   64.901   11.039   64.901   11.039   0.0000   0.0000  1960.44  181.898  ?   ?  0.000000 181.8977 
1 1 1    0   14   32 o  876.042  136.515   12.768   3.6227   16.355   6.5826   11.210   4.3390  953.739  224.199  804.873  176.981 148.8660 285.6353 
1 1 1    0   14   34 o  553.040  162.076   5.2141   2.9878   6.7539   6.1314   4.7346   3.4215  645.334  234.586  535.575  176.201 109.7581 293.3896 
1 1 1    0   14   36 o  2110.26   89.947   71.294   5.9435   66.027   7.4202   80.720   9.9276  2011.62  118.323  2203.28  144.703 -191.6576 186.9207 
1 1 1    0   14   38 f  2769.16  104.041  124.143   9.0213  116.686   11.216  137.805   15.182  2651.60  135.543  2834.25  171.879 -182.6523 218.8935 
1 1 1    0   14   40 o  1138.44   97.575   21.109   3.4447   16.046   4.4604   28.591   5.4223  964.553  152.774  1304.69  134.664 -340.1332 203.6519 
1 1 1    0   14   42 o  1696.54  124.087   48.276   6.5461   48.276   6.5461   0.0000   0.0000  1696.54  124.087  ?   ?  0.000000 124.0874 
1 1 1    0   14   44 o  1190.26  124.154   24.443   4.5591   24.443   4.5591   0.0000   0.0000  1190.26  124.154  ?   ?  0.000000 124.1540 
1 1 1    0   14   46 o  762.585  156.781   11.296   3.6186   11.296   3.6186   0.0000   0.0000  762.585  156.781  ?   ?  0.000000 156.7811 
1 1 1    0   14   48 o  820.164  139.966   13.153   3.4655   13.153   3.4655   0.0000   0.0000  820.164  139.966  ?   ?  0.000000 139.9658 
1 1 1    0   14   50 o  1620.64  122.135   50.903   6.1523   50.903   6.1523   0.0000   0.0000  1620.64  122.135  ?   ?  0.000000 122.1354 
1 1 1    0   15    1 o  657.028   85.695   6.9104   1.7210   6.7654   2.4812   7.0448   2.3893  642.291  127.864  657.054  120.575 -14.76300 175.7484 
1 1 1    0   15    3 o  1682.96   86.382   44.723   4.5368   45.772   5.6179   42.757   7.6923  1698.99  106.132  1630.81  152.404 68.18079 185.7177 
1 1 1    0   15    5 o  2375.69   93.542   89.004   6.9585   97.130   8.5427   72.981   11.996  2478.33  110.082  2122.81  182.232 355.5159 212.9007 
1 1 1    0   15    7 o  1070.60   84.826   18.169   2.8204   15.127   4.9438   19.636   3.4340  957.343  171.206  1110.73   99.800 -153.3842 198.1708 
1 1 1    0   15    9 o  662.787   96.955   7.0800   1.9526   8.8901   3.4114   6.1979   2.3813  732.489  153.640  613.473  128.102 119.0159 200.0387 
1 1 1    0   15   11 o  493.126  109.481   4.0004   1.6464   5.1449   2.6471   3.2784   2.1026  557.531  148.842  451.787  136.840 105.7442 202.1862 
1 1 1    0   15   13 o  779.092  103.040   9.7686   2.4520   8.7220   5.0922   10.084   2.7977  722.024  211.587  788.875  116.789 -66.85187 241.6792 
1 1 1    0   15   15 o  1454.18   74.042   33.393   3.3603   34.064   4.7950   32.746   4.7104  1462.39  105.421  1433.61  105.677 28.78040 149.2691 
1 1 1    0   15   17 o  839.606   86.892   11.254   2.2513   10.898   3.0046   11.710   3.3997  818.739  120.830  846.309  132.648 -27.56958 179.4310 
1 1 1    0   15   19 o  1596.76   92.548   40.517   4.6074   38.171   5.4570   46.341   8.5981  1543.84  113.684  1681.98  165.394 -138.1345 200.6968 
1 1 1    0   15   21 o  177.813   83.421  -1.2075   1.1751  -1.2075   1.1751   0.0000   0.0000  177.813   83.421  ?   ?  0.000000 83.42058 
1 1 1    0   15   23 o  1270.62  192.982   27.450   7.4366   27.450   7.4366   0.0000   0.0000  1270.62  192.982  ?   ?  0.000000 192.9822 
1 1 1    0   15   25 o  1958.88   93.031   61.074   5.7063   62.307   7.0723   58.774   9.6593  1966.84  115.340  1882.55  165.546 84.29468 201.7638 
1 1 1    0   15   27 o  886.152  169.418   13.332   4.5296   0.0000   0.0000   13.332   4.5296  ?   ?   886.152  169.418 0.000000 169.4184 
1 1 1    0   15   29 o  2830.73  134.354  129.676   11.909  119.053   17.285  139.275   16.431  2644.18  210.505  2889.48  182.541 -245.3054 278.6282 
1 1 1    0   15   31 o  918.406  139.533   13.978   3.8864   15.739   6.8521   13.143   4.7188  936.614  234.243  875.830  178.131 60.78326 294.2800 
1 1 1    0   15   33 o  896.594  103.467   13.035   2.8515   10.945   3.6271   16.417   4.6139  805.668  149.273  989.012  153.998 -183.3444 214.4710 
1 1 1    0   15   35 o  563.216  172.138   5.4010   3.3164   0.7192   6.8207   6.8507   3.7953  521.552  226.061  627.679  182.303 -106.1270 290.4102 
1 1 1    0   15   37 f  2494.76  203.233  108.989   15.738  108.989   15.738   0.0000   0.0000  2494.76  203.233  ?   ?  0.000000 203.2326 
1 1 1    0   15   39 o  1189.13  271.975   27.887   9.9069   27.887   9.9069   0.0000   0.0000  1189.13  271.975  ?   ?  0.000000 271.9748 
1 1 1    0   15   41 o  3165.49  136.970  168.198   13.576  168.198   13.576   0.0000   0.0000  3165.49  136.970  ?   ?  0.000000 136.9702 
1 1 1    0   15   43 o  857.207  140.030   12.939   3.6288   12.939   3.6288   0.0000   0.0000  857.207  140.030  ?   ?  0.000000 140.0304 
1 1 1    0   15   45 o  582.427  158.656   6.5767   2.9719   6.5767   2.9719   0.0000   0.0000  582.427  158.656  ?   ?  0.000000 158.6558 
1 1 1    0   15   47 f  178.761   86.647  -2.1724   1.5040  -2.1724   1.5040   0.0000   0.0000  178.761   86.647  ?   ?  0.000000 86.64700 
1 1 1    0   15   49 f  490.328  161.977   5.3885   2.8903   5.3885   2.8903   0.0000   0.0000  490.328  161.977  ?   ?  0.000000 161.9771 
1 1 1    0   15   53 o  522.250  159.391   7.1256   2.8448   7.1256   2.8448   0.0000   0.0000  522.250  159.391  ?   ?  0.000000 159.3914 
1 1 1    0   16    0 o  271.209  118.385  -0.3991   1.8982   2.0838   3.4064  -1.5174   2.2860  446.788  172.224  268.293  122.460 178.4958 211.3232 
1 1 1    0   16    2 o  659.895  106.138   7.0495   2.1188   9.1025   4.2111   6.3536   2.4517  738.143  183.087  621.433  130.166 116.7107 224.6418 
1 1 1    0   16    4 o  1262.27   84.492   25.205   3.3202   27.305   5.8086   24.185   4.0465  1301.63  144.981  1232.71  105.861 68.92566 179.5157 
1 1 1    0   16    6 o  2050.09   90.060   66.257   5.7813   75.692   10.015   61.542   7.0799  2173.77  148.020  1968.20  115.384 205.5680 187.6790 
1 1 1    0   16    8 o  751.503   85.897   9.0131   1.9850   11.965   2.9947   6.7000   2.6510  862.104  113.712  637.117  136.958 224.9869 178.0109 
1 1 1    0   16   10 o  971.343   77.683   14.947   2.3430   18.825   3.4399   11.591   3.2001  1086.64  102.301  845.766  124.564 240.8756 161.1889 
1 1 1    0   16   12 o  2079.30   91.363   68.244   5.9485   73.526   10.421   65.692   7.2446  2136.10  156.902  2032.30  114.308 103.7970 194.1255 
1 1 1    0   16   14 o  1140.46   77.193   20.584   2.7404   18.629   3.7674   22.781   3.9935  1077.80  113.329  1194.21  107.963 -116.4141 156.5229 
1 1 1    0   16   16 o  578.917  119.753   5.5251   2.0992   7.0222   2.4695   1.6255   3.9855  653.291  125.279  451.624  182.390 201.6670 221.2707 
1 1 1    0   16   18 o  507.609  117.365   4.2680   1.8282   2.6435   2.1683   8.2624   3.4001  417.541  140.355  701.646  158.498 -284.1052 211.7102 
1 1 1    0   16   20 o  1009.79   92.943   16.302   2.9058   14.808   3.5578   19.296   5.0359  954.785  121.777  1081.83  152.927 -127.0417 195.4895 
1 1 1    0   16   22 o  1549.37   85.154   38.134   4.1153   34.410   5.0557   45.446   7.0849  1464.04  111.111  1673.76  136.370 -209.7180 175.9045 
1 1 1    0   16   24 o  2963.49  198.113  146.844   18.278  146.844   18.278   0.0000   0.0000  2963.49  198.113  ?   ?  0.000000 198.1135 
1 1 1    0   16   26 o  447.958  156.609   2.9563   2.7065   2.9563   2.7065   0.0000   0.0000  447.958  156.609  ?   ?  0.000000 156.6094 
1 1 1    0   16   28 o  699.257  174.967   8.3318   3.8216   8.3318   3.8216   0.0000   0.0000  699.257  174.967  ?   ?  0.000000 174.9668 
1 1 1    0   16   30 o  751.687  156.296   9.5251   3.5588   14.214   6.5575   7.5674   4.2371  895.822  231.950  665.583  192.423 230.2390 301.3759 
1 1 1    0   16   32 o  3703.40  120.181  220.703   13.937  223.601   17.155  215.077   23.900  3701.85  147.997  3545.16  216.340 156.6917 262.1181 
1 1 1    0   16   34 o  977.044  103.544   15.450   3.1195   14.483   3.9798   16.990   5.0236  933.060  140.582  1001.34  166.036 -68.27979 217.5572 
1 1 1    0   16   36 o  1136.87  101.622   20.889   3.5794   19.537   4.5428   23.102   5.8131  1085.64  136.664  1168.82  163.294 -83.18372 212.9364 
1 1 1    0   16   38 o  1263.12   99.645   25.800   3.9091   25.760   4.9722   25.865   6.3254  1248.96  128.999  1229.80  168.710 19.16357 212.3765 
1 1 1    0   16   40 o  1130.81  143.100   21.682   4.9535   30.804   9.5875   18.360   5.7856  1260.87  251.655  1011.06  189.717 249.8174 315.1552 
1 1 1    0   16   42 o  538.486  184.616   5.2137   3.7522  -0.6453   9.0627   6.4259   4.1222  523.822  240.848  586.370  193.425 -62.54767 308.9034 
1 1 1    0   16   46 f  443.891  163.326   3.7174   2.9850   3.7174   2.9850   0.0000   0.0000  443.891  163.326  ?   ?  0.000000 163.3256 
1 1 1    0   16   48 o  422.640  155.234   3.5656   2.6949   3.5656   2.6949   0.0000   0.0000  422.640  155.234  ?   ?  0.000000 155.2340 
1 1 1    0   16   50 o  456.942  224.805   6.2830   11.282   6.2830   11.282   0.0000   0.0000  456.942  224.805  ?   ?  0.000000 224.8050 
1 1 1    0   16   52 o  261.967  118.711   0.0803   2.0998   0.0803   2.0998   0.0000   0.0000  261.967  118.711  ?   ?  0.000000 118.7114 
1 1 1    0   17    1 o  340.423  129.491   1.2962   1.9092   0.0000   0.0000   1.2962   1.9092  ?   ?   340.423  129.491 0.000000 129.4906 
1 1 1    0   17    3 o  2014.00   89.768   63.916   5.6610   76.151   10.098   58.309   6.8362  2181.35  148.734  1916.48  114.441 264.8718 187.6662 
1 1 1    0   17    5 o  867.375   85.337   11.961   2.2877   14.097   3.5382   10.427   2.9989  935.187  123.875  802.150  123.347 133.0368 174.8127 
1 1 1    0   17    7 o  734.876   96.192   8.6632   2.1603   8.1784   3.2859   9.0323   2.8671  702.589  153.639  744.357  127.602 -41.76837 199.7183 
1 1 1    0   17    9 o  1657.14   77.104   43.222   4.0009   43.402   5.6072   43.036   5.7104  1652.77  108.959  1645.18  111.508 7.583252 155.9038 
1 1 1    0   17   11 o  582.301  133.388   5.6087   2.3799   0.9634   4.6889   7.2206   2.7621  465.386  193.920  661.313  137.854 -195.9273 237.9260 
1 1 1    0   17   13 o  1591.33   84.602   40.051   4.2005   44.697   5.2124   31.447   7.0941  1678.14   99.642  1388.36  166.507 289.7834 194.0439 
1 1 1    0   17   15 o  244.444  106.256  -0.2400   1.5156  -2.1100   1.6648   8.8102   3.6624  202.008   96.116  725.118  165.014 -523.1104 190.9655 
1 1 1    0   17   17 o  1815.63   98.088   52.388   5.5558   54.649   9.7369   51.296   6.7652  1827.01  172.233  1789.50  121.453 37.51294 210.7490 
1 1 1    0   17   19 o  386.614  125.917   2.3157   1.7490   2.1319   2.1146   2.7137   3.1117  389.434  138.228  452.564  166.719 -63.12982 216.5689 
1 1 1    0   17   21 o  878.647   96.880   12.386   2.6211   12.099   3.3996   12.805   4.1158  860.080  130.317  878.050  155.385 -17.97070 202.7977 
1 1 1    0   17   23 o  975.719  102.164   15.273   3.0750   14.362   3.8321   16.920   5.1532  937.594  134.370  1008.08  169.253 -70.48102 216.1058 
1 1 1    0   17   25 o  3057.84  134.833  149.957   12.910  151.318   18.635  148.701   17.902  3025.13  197.820  3003.90  191.324 21.23438 275.2052 
1 1 1    0   17   27 o  573.633  139.756   5.4963   2.4872   7.8570   3.1343   1.4822   4.0871  685.155  150.235  450.108  183.623 235.0468 237.2507 
1 1 1    0   17   29 o  1125.25  164.620   21.012   5.6287   21.012   5.6287   0.0000   0.0000  1125.25  164.620  ?   ?  0.000000 164.6196 
1 1 1    0   17   31 o  645.628  246.010   5.7513   6.8984   5.7513   6.8984   0.0000   0.0000  645.628  246.010  ?   ?  0.000000 246.0105 
1 1 1    0   17   33 o  3868.96  238.737  260.288   28.781  260.288   28.781   0.0000   0.0000  3868.96  238.737  ?   ?  0.000000 238.7372 
1 1 1    0   17   35 o  2300.77  199.497   90.252   14.230   90.252   14.230   0.0000   0.0000  2300.77  199.497  ?   ?  0.000000 199.4970 
1 1 1    0   17   37 o  1908.91  130.150   59.618   7.7330   50.170   12.055   66.225   10.080  1670.70  237.084  1988.30  163.357 -317.5950 287.9138 
1 1 1    0   17   39 o  2806.74  129.074  129.660   11.344  128.072   15.933  131.292   16.154  2710.67  188.901  2744.28  189.144 -33.61157 267.3187 
1 1 1    0   17   41 o  862.700  128.452   12.696   3.3641   9.1064   4.3949   17.774   5.2277  694.644  194.395  992.289  174.627 -297.6455 261.3122 
1 1 1    0   17   43 o  417.629  161.578   2.5885   3.0069   2.5885   3.0069   0.0000   0.0000  417.629  161.578  ?   ?  0.000000 161.5777 
1 1 1    0   17   45 o  580.276  199.570   7.2133   4.3864   7.0849   10.732   7.2391   4.8062  578.336  264.499  576.570  207.983 1.766663 336.4765 
1 1 1    0   17   47 o  814.242  190.384   14.481   4.7672   17.923   10.916   13.669   5.2993  665.676  287.256  754.141  214.314 -88.46515 358.3945 
1 1 1    0   17   49 o  587.941  269.255   17.367   11.173   17.367   11.173   0.0000   0.0000  587.941  269.255  ?   ?  0.000000 269.2549 
1 1 1    0   17   51 o  263.680  121.685  -0.5068   2.3435  -0.5068   2.3435   0.0000   0.0000  263.680  121.685  ?   ?  0.000000 121.6854 
1 1 1    0   18    0 o  320.316  132.268   0.4503   2.1532  -1.5316   3.8174   1.3750   2.6076  366.819  163.624  382.784  149.807 -15.96500 221.8449 
1 1 1    0   18    2 o  589.019  111.215   5.6618   1.9760   8.7640   3.1989   3.7477   2.5127  729.727  145.109  485.281  150.089 244.4461 208.7660 
1 1 1    0   18    4 o  1337.74   92.155   28.343   3.8366   33.760   6.9286   25.948   4.6075  1446.41  155.419  1275.14  116.689 171.2683 194.3489 
1 1 1    0   18    6 o  537.720  140.729   4.7706   2.3970   8.5232   4.7159   3.4633   2.7834  715.432  201.778  477.365  159.014 238.0676 256.9037 
1 1 1    0   18    8 o  453.343  150.863   3.1213   2.5056   0.6095   4.4389   4.2959   3.0354  445.996  187.457  521.155  165.519 -75.15881 250.0736 
1 1 1    0   18   10 o  328.333  135.682   0.5101   2.2683   0.0000   4.2463   0.7137   2.6832  421.429  180.464  360.321  148.091 61.10715 233.4488 
1 1 1    0   18   12 o  495.742  127.999   4.0584   2.0006   5.3100   2.9559   3.0003   2.7177  567.051  159.684  453.280  157.021 113.7711 223.9517 
1 1 1    0   18   14 o  814.482   87.970   10.592   2.2079   10.418   2.9919   10.801   3.2717  800.260  123.364  812.795  133.163 -12.53497 181.5245 
1 1 1    0   18   16 f  1143.72   82.369   20.742   2.9301   18.314   3.8338   24.154   4.5436  1067.27  116.619  1226.54  119.837 -159.2701 167.2153 
1 1 1    0   18   18 o  615.577  171.895   6.3164   3.4403   6.6739   5.2648   6.0501   4.5449  650.241  218.705  616.809  203.084 33.43219 298.4541 
1 1 1    0   18   20 o  649.540  106.515   6.8581   2.0913   5.1019   2.5907   10.143   3.5430  554.279  146.903  782.708  150.021 -228.4290 209.9684 
1 1 1    0   18   22 o  886.074  116.222   12.679   3.1468   7.1659   3.8954   23.036   5.3389  654.646  182.948  1190.65  146.280 -536.0068 234.2388 
1 1 1    0   18   24 o  1671.80   95.459   44.352   4.9764   44.570   6.1764   43.948   8.4016  1669.82  118.904  1642.39  165.630 27.42664 203.8907 
1 1 1    0   18   26 o  1652.80  123.241   43.786   6.3323   36.264   9.4696   49.871   8.5164  1469.77  211.883  1752.33  156.871 -282.5612 263.6338 
1 1 1    0   18   28 o  363.647  143.103   1.2728   2.3909   1.9544   2.9631   0.0010   4.0475  417.404  160.702  409.214  175.737 8.190552 238.1355 
1 1 1    0   18   30 o  1459.93  168.111   35.171   7.5447   0.0000   0.0000   35.171   7.5447  ?   ?   1459.93  168.111 0.000000 168.1110 
1 1 1    0   18   32 o  1432.98   99.873   32.827   4.4533   30.630   5.6156   36.551   7.3103  1373.30  132.225  1489.80  159.171 -116.4979 206.9269 
1 1 1    0   18   38 o  1117.05  175.477   21.593   5.9354   21.593   5.9354   0.0000   0.0000  1117.05  175.477  ?   ?  0.000000 175.4766 
1 1 1    0   18   40 o  1489.56  139.460   37.648   6.4290   36.013   10.688   38.575   8.0477  1333.13  265.367  1473.59  178.020 -140.4592 319.5481 
1 1 1    0   18   42 o  1243.90  147.690   27.296   5.6401   27.296   5.6401   0.0000   0.0000  1243.90  147.690  ?   ?  0.000000 147.6900 
1 1 1    0   18   44 f  532.844  160.994   5.4076   2.9130   8.1943   3.5435  -0.4017   5.1161  647.913  171.846  404.363  184.036 243.5504 251.7944 
1 1 1    0   18   46 o  521.594  246.443   3.2477   10.584   3.2477   10.584   0.0000   0.0000  521.594  246.443  ?   ?  0.000000 246.4426 
1 1 1    0   18   48 o  649.603  292.509   20.782   12.517   20.782   12.517   0.0000   0.0000  649.603  292.509  ?   ?  0.000000 292.5093 
1 1 1    0   18   50 o  439.744  217.994   1.0807   11.341   1.0807   11.341   0.0000   0.0000  439.744  217.994  ?   ?  0.000000 217.9937 
1 1 1    0   19    1 f  559.441  142.089   5.1720   2.4938   2.5146   3.2868   8.7771   3.8283  454.775  170.597  725.868  171.210 -271.0929 241.6947 
1 1 1    0   19    3 o  617.047  172.896   6.2857   3.4743   6.2857   3.4743   0.0000   0.0000  617.047  172.896  ?   ?  0.000000 172.8959 
1 1 1    0   19    5 o  863.818  109.149   11.983   2.8864   12.806   3.8228   10.892   4.4022  886.127  142.613  808.026  178.732 78.10120 228.6559 
1 1 1    0   19    7 o  685.416  124.326   7.6778   2.5700   7.8259   3.4188   7.4852   3.8972  685.768  161.822  670.461  181.285 15.30731 243.0037 
1 1 1    0   19    9 o  623.329  137.544   6.4226   2.6126   16.863   5.2796   3.0370   3.0065  1011.06  172.984  464.851  164.841 546.2116 238.9477 
1 1 1    0   19   11 o  856.811  116.234   11.843   3.0379   19.276   5.6112   8.7607   3.6133  1082.72  171.201  725.316  163.060 357.4025 236.4280 
1 1 1    0   19   13 o  691.999  135.105   7.8783   2.8224   11.068   5.3058   6.6194   3.3332  809.234  208.193  630.681  166.379 178.5531 266.5077 
1 1 1    0   19   15 f  627.020  135.119   6.4941   2.5746   5.4581   3.4250   7.8401   3.9040  578.966  174.489  684.841  179.775 -105.8748 250.5303 
1 1 1    0   19   17 o  1608.45   87.492   40.911   4.3899   44.620   6.0255   36.714   6.4089  1673.98  115.663  1512.39  136.814 161.5856 179.1537 
1 1 1    0   19   19 o  845.485  105.970   11.478   2.7438   14.294   3.5099   7.0534   4.4001  941.579  121.909  655.644  197.814 285.9349 232.3616 
1 1 1    0   19   21 o  383.516  143.328   1.7910   2.3158   1.0207   3.0019   2.9235   3.6396  388.042  157.728  482.100  179.779 -94.05829 239.1629 
1 1 1    0   19   23 o  727.279  135.866   8.6917   2.9803   9.8241   3.6286   6.3444   5.2243  769.818  155.881  640.922  217.851 128.8967 267.8767 
1 1 1    0   19   25 o  1424.04  102.748   32.271   4.5508   33.224   5.6251   30.466   7.7422  1439.22  126.091  1358.35  186.983 80.87085 225.5252 
1 1 1    0   19   27 o  1138.85  143.262   21.101   4.9957   22.184   8.0136   20.413   6.3891  1136.39  233.030  1104.04  191.775 32.35071 301.7954 
1 1 1    0   19   29 o  1523.71  115.744   37.185   5.4810   33.072   7.5381   41.798   7.9837  1416.57  173.577  1599.62  161.609 -183.0491 237.1636 
1 1 1    0   19   31 o  3525.93  213.384  207.842   23.448   0.0000   0.0000  207.842   23.448  ?   ?   3525.93  213.384 0.000000 213.3843 
1 1 1    0   19   33 o  832.757  148.921   11.545   3.7407   12.177   4.9858   10.731   5.6580  841.841  193.230  785.377  220.842 56.46375 293.4436 
1 1 1    0   19   35 o  1000.83  170.134   16.943   5.1409   16.167   8.8286   17.341   6.3236  933.136  279.902  995.280  209.536 -62.14417 349.6435 
1 1 1    0   19   37 o  1536.02  107.240   38.215   5.1255   40.267   6.4263   34.628   8.4970  1563.43  132.518  1407.19  198.343 156.2429 238.5386 
1 1 1    0   19   39 o  1321.73  149.719   29.833   6.0871   29.833   6.0871   0.0000   0.0000  1321.73  149.719  ?   ?  0.000000 149.7188 
1 1 1    0   19   41 o  468.269  180.013   3.2919   3.7140   3.2919   3.7140   0.0000   0.0000  468.269  180.013  ?   ?  0.000000 180.0126 
1 1 1    0   19   43 o  376.277  162.739   0.6865   3.5194   0.6865   3.5194   0.0000   0.0000  376.277  162.739  ?   ?  0.000000 162.7391 
1 1 1    0   19   45 o  1081.52  120.841   20.497   4.0223   20.152   5.0176   21.116   6.7285  1033.21  160.286  980.137  224.113 53.07507 275.5328 
1 1 1    0   19   47 o  472.695  168.024   4.4511   3.1255   6.5386   3.7634  -0.1896   5.6112  550.292  184.909  403.360  186.898 146.9326 262.9113 
1 1 1    0   19   49 o  367.077  153.372   1.9662   2.9443  -0.7117   3.4752   8.7783   5.5427  318.568  147.424  563.203  218.962 -244.6357 263.9661 
1 1 1    0   20    0 o  325.889  153.818  -4.6432   4.1039  -4.6432   4.1039   0.0000   0.0000  325.889  153.818  ?   ?  0.000000 153.8178 
1 1 1    0   20    2 o  1135.39  130.350   20.703   4.5502   20.703   4.5502   0.0000   0.0000  1135.39  130.350  ?   ?  0.000000 130.3500 
1 1 1    0   20    4 o  662.540  136.813   7.2208   2.7443   4.2810   3.6934   10.844   4.1004  536.211  183.167  809.327  167.329 -273.1161 248.0909 
1 1 1    0   20    6 o  734.590  147.524   8.8855   3.2755   8.2692   3.7707   10.780   6.6116  704.971  172.279  805.836  242.337 -100.8647 297.3336 
1 1 1    0   20    8 o  1035.97  107.228   17.129   3.4280   31.111   6.3761   11.444   4.0656  1390.25  148.778  833.056  161.690 557.1900 219.7239 
1 1 1    0   20   10 o  182.961   89.790  -3.5648   1.7646  -1.4104   2.9068  -4.8222   2.2206  313.236  141.011  200.290   98.769 112.9450 172.1610 
1 1 1    0   20   12 o  472.477  141.988   3.5836   2.2703   6.0832   3.3437   1.4454   3.0924  607.768  169.374  408.033  162.055 199.7355 234.4126 
1 1 1    0   20   14 o  586.941  166.682   5.6491   3.2066   7.9868   5.4601   4.4184   3.9618  703.662  221.833  548.518  189.608 155.1437 291.8239 
1 1 1    0   20   16 f  1212.78  112.889   23.444   4.2378   23.643   7.1717   23.337   5.2529  1196.76  198.325  1203.81  142.095 -7.053467 243.9749 
1 1 1    0   20   18 f  1849.36  101.965   54.137   5.8818   56.425   10.048   52.944   7.2546  1869.29  173.653  1823.13  127.890 46.15759 215.6642 
1 1 1    0   20   20 f  613.767  136.160   6.2158   2.5483   4.6274   3.2627   8.7004   4.0808  540.879  171.585  722.077  180.870 -181.1979 249.3103 
1 1 1    0   20   22 o  1345.23  102.407   28.753   4.2812   32.866   5.1915   20.011   7.5689  1435.81  116.477  1087.17  229.544 348.6411 257.4051 
1 1 1    0   20   24 o  1019.63  114.891   16.682   3.6042   22.846   4.4157   4.3811   6.2384  1194.09  119.712  607.478  233.354 586.6104 262.2692 
1 1 1    0   20   26 f  1729.28  119.930   47.736   6.4538   57.328   8.9035   37.116   9.3685  1885.31  152.115  1495.14  205.547 390.1710 255.7124 
1 1 1    0   20   28 o  1217.30  194.947   24.712   7.1800   0.0000   0.0000   24.712   7.1800  ?   ?   1217.30  194.947 0.000000 194.9475 
1 1 1    0   20   30 o  844.801  141.064   11.731   3.5999   12.475   4.4818   10.380   6.0437  863.158  171.862  780.479  231.016 82.67896 287.9319 
1 1 1    0   20   32 o  1963.93  133.412   62.186   8.1556   60.350   12.418   63.579   10.815  1893.16  213.191  1964.30  177.759 -71.14124 277.5769 
1 1 1    0   20   34 o  671.974  168.014   7.7053   3.5258   10.975   4.4586   2.2473   5.7604  799.284  182.197  527.902  216.977 271.3813 283.3280 
1 1 1    0   20   36 o  382.791  172.960  -1.7197   4.4204  -0.4457   8.3028  -2.2237   5.2220  546.917  242.793  409.844  186.298 137.0730 306.0323 
1 1 1    0   20   38 o  943.572  192.441   16.031   5.4931   10.407   9.6065   18.763   6.6958  748.454  289.019  1004.47  219.058 -256.0107 362.6547 
1 1 1    0   20   40 o  697.634  172.719   8.8723   3.7529   1.8836   4.7465   20.529   6.1299  461.513  193.904  1055.64  192.541 -594.1288 273.2596 
1 1 1    0   20   42 o  474.187  175.583   3.7119   3.4596   6.0820   4.2430  -0.9898   5.9759  568.895  196.245  434.678  198.245 134.2162 278.9503 
1 1 1    0   20   44 o  422.177  178.623   1.8374   4.0736   1.8374   4.0736   0.0000   0.0000  422.177  178.623  ?   ?  0.000000 178.6230 
1 1 1    0   20   46 o  906.675  188.408   16.788   5.1743   16.788   5.1743   0.0000   0.0000  906.675  188.408  ?   ?  0.000000 188.4084 
1 1 1    0   20   48 o  515.467  195.122   5.9253   4.3215   5.9253   4.3215   0.0000   0.0000  515.467  195.122  ?   ?  0.000000 195.1218 
1 1 1    0   21    1 o  867.694  137.649   12.208   3.6150   14.137   4.2537   7.1916   6.8591  932.369  150.855  704.910  249.087 227.4590 291.2072 
1 1 1    0   21    3 o  1285.37  108.646   26.236   4.3319   29.548   5.2007   18.731   7.8283  1362.04  123.278  1055.09  242.090 306.9540 271.6710 
1 1 1    0   21    5 o  2116.93  100.439   70.594   6.6577   77.933   8.0471   54.669   11.853  2219.00  116.219  1833.07  210.315 385.9296 240.2896 
1 1 1    0   21    7 o  1578.26  102.898   39.412   5.0573   36.357   6.0031   46.882   9.3867  1511.12  128.076  1705.30  178.431 -194.1797 219.6385 
1 1 1    0   21    9 o  1253.57   96.340   24.885   3.7526   23.972   5.0624   25.998   5.5910  1223.62  134.337  1273.12  142.705 -49.49524 195.9874 
1 1 1    0   21   11 o  1708.53   88.107   46.039   4.6975   44.040   6.4835   48.248   6.8155  1664.63  125.307  1742.67  125.746 -78.04529 177.5211 
1 1 1    0   21   13 o  907.231  114.622   13.192   3.1835   14.290   4.2519   11.792   4.8025  937.681  149.860  842.856  186.871 94.82434 239.5388 
1 1 1    0   21   15 o  641.806  173.200   6.7941   3.5614   3.2372   5.8251   8.9173   4.5005  569.872  223.651  732.833  193.334 -162.9603 295.6309 
1 1 1    0   21   17 o  427.782  155.474   2.4027   2.6930  -3.0991   3.5068   10.311   4.2044  315.718  146.792  788.551  174.861 -472.8331 228.3069 
1 1 1    0   21   19 o  804.827  158.883   10.670   3.8619   14.122   6.5332   8.8165   4.7880  915.174  228.643  728.649  202.545 186.5258 305.4541 
1 1 1    0   21   21 f  655.577  203.694   6.9413   4.6221   0.0000   0.0000   6.9413   4.6221  ?   ?   655.577  203.694 0.000000 203.6938 
1 1 1    0   21   23 o  1305.64  190.554   28.018   7.5609   0.0000   0.0000   28.018   7.5609  ?   ?   1305.64  190.554 0.000000 190.5543 
1 1 1    0   21   25 o  1626.08  117.464   42.121   5.9406   41.993   7.9309   42.285   8.9668  1612.13  159.189  1610.64  180.925 1.489258 240.9872 
1 1 1    0   21   27 o  1545.73  107.118   37.998   5.1526   36.511   6.3551   40.851   8.8026  1507.82  136.069  1581.05  181.072 -73.23120 226.4988 
1 1 1    0   21   29 f  1600.54  108.414   40.801   5.4013   40.178   6.6478   42.010   9.2651  1580.69  135.626  1597.44  188.886 -16.75671 232.5346 
1 1 1    0   21   31 o  793.060  160.080   10.513   3.8382   9.6803   4.7562   12.069   6.4993  753.377  198.746  835.006  237.360 -81.62866 309.5796 
1 1 1    0   21   33 o  2569.29  141.050  107.160   11.304   88.980   16.676  122.615   15.376  2267.22  238.477  2717.60  181.738 -450.3806 299.8338 
1 1 1    0   21   35 o  1546.28  111.273   38.675   5.3516   45.261   6.6333   26.397   9.0572  1664.84  128.233  1200.22  249.154 464.6116 280.2170 
1 1 1    0   21   37 o  676.374  221.396   8.2438   5.4044   19.628   9.4220   2.6617   6.5976  983.747  287.677  545.852  228.936 437.8956 367.6539 
1 1 1    0   21   39 f  576.349  216.754   5.4508   5.3126   7.3639   9.3943   4.5513   6.4416  674.194  277.095  572.670  231.665 101.5239 361.1790 
1 1 1    0   21   41 o  547.375  187.948   5.3671   3.8896   2.4919   4.7990   10.872   6.6404  474.748  196.865  726.061  245.613 -251.3125 314.7719 
1 1 1    0   21   43 o  415.026  172.608   1.7767   3.7048   1.7121   4.5471   1.9042   6.3899  439.655  187.468  491.359  215.771 -51.70319 285.8346 
1 1 1    0   21   45 o  372.108  176.868  -3.7157   5.6096   14.302   11.440  -9.4199   6.4366  701.218  298.132  342.416  168.719 358.8022 342.5620 
1 1 1    0   21   47 o  586.097  274.048   8.8631   12.502   8.8631   12.502   0.0000   0.0000  586.097  274.048  ?   ?  0.000000 274.0480 
1 1 1    0   22    0 o  1306.98  192.937   27.554   7.6585   27.554   7.6585   0.0000   0.0000  1306.98  192.937  ?   ?  0.000000 192.9371 
1 1 1    0   22    2 o  865.641  125.137   12.061   3.2934   14.115   4.3961   9.4343   4.9721  931.718  156.214  755.917  204.922 175.8005 257.6742 
1 1 1    0   22    4 o  531.429  163.644   4.4782   2.9908   7.4491   3.9613   0.5394   4.5612  673.201  183.083  453.006  190.192 220.1950 263.9929 
1 1 1    0   22    6 o  526.912  161.320   4.4128   2.9113   2.8999   3.8207   6.5071   4.4954  491.247  184.000  640.915  201.167 -149.6679 272.6246 
1 1 1    0   22    8 o  631.625  168.300   6.5573   3.3886   6.8728   3.9048   5.5950   6.8199  648.531  183.851  662.845  246.309 -14.31427 307.3581 
1 1 1    0   22   10 o  835.949  148.585   11.387   3.7468   11.084   4.2742   12.394   7.7865  820.243  171.915  869.533  263.325 -49.29059 314.4753 
1 1 1    0   22   12 o  978.007  130.732   15.374   3.9033   19.017   4.4841   3.9790   7.9302  1088.82  134.374  654.007  259.584 434.8133 292.3017 
1 1 1    0   22   14 o  230.746  110.032  -2.9165   2.2072   1.3754   3.2091  -6.7694   3.0405  412.305  164.661  232.437  114.796 179.8688 200.7275 
1 1 1    0   22   16 o  1656.87   98.134   43.378   5.0686   49.954   8.3879   39.596   6.3614  1767.47  153.070  1577.11  129.974 190.3617 200.8075 
1 1 1    0   22   18 o  722.950  154.876   8.6164   3.4004   6.9828   4.6487   10.496   4.9869  659.235  204.188  793.515  200.597 -134.2798 286.2377 
1 1 1    0   22   20 o  765.873  150.112   9.6350   3.4712   11.382   4.6294   7.3911   5.2463  827.649  183.452  681.468  217.725 146.1816 284.7087 
1 1 1    0   22   22 o  854.324  135.376   11.851   3.5007   13.026   4.1393   8.9003   6.5602  892.521  153.656  747.680  243.885 144.8409 288.2538 
1 1 1    0   22   24 o  806.129  198.242   10.886   4.9692   14.548   7.8883   8.4769   6.3983  926.061  260.888  731.493  240.966 194.5681 355.1441 
1 1 1    0   22   26 o  962.818  186.370   15.413   5.4157   21.544   8.1734   10.615   7.2308  1126.55  239.103  803.725  255.485 322.8209 349.9179 
1 1 1    0   22   28 o  629.948  212.073   6.1716   4.9504   11.144   7.6044   2.5146   6.5217  818.669  262.190  569.931  232.165 248.7388 350.2058 
1 1 1    0   22   30 o  1284.97  163.882   27.104   6.4438   28.298   9.9029   26.226   8.4860  1274.01  257.104  1238.68  227.162 35.33777 343.0818 
1 1 1    0   22   32 o  836.130  190.335   12.009   4.8714   10.958   6.6398   13.234   7.1689  792.301  243.801  863.080  250.517 -70.77905 349.5681 
1 1 1    0   22   34 f  420.531  186.420  -0.9671   4.8779  -4.2058   7.9217   1.0108   6.1907  486.542  224.251  511.027  218.341 -24.48450 312.9877 
1 1 1    0   22   36 o  730.831  177.029   9.3868   4.0083   5.8085   4.9574   16.143   6.8118  595.795  211.629  932.731  233.709 -336.9360 315.2881 
1 1 1    0   22   38 o  1115.78  142.452   21.050   4.8634   20.338   6.0847   22.309   8.0927  1068.12  188.837  1076.53  245.516 -8.413696 309.7380 
1 1 1    0   22   40 o  1395.69  126.995   32.676   5.4893   31.339   6.8097   35.156   9.2759  1335.93  166.396  1358.15  226.065 -22.21741 280.7007 
1 1 1    0   22   42 o  507.025  215.464   2.7229   5.9699   2.9775   10.445   2.5994   7.2753  593.568  267.246  533.140  232.270 60.42737 354.0764 
1 1 1    0   22   44 o  389.942  184.611  -3.8469   5.9951  -8.9960   11.753  -2.0360   6.9701  484.917  236.648  442.440  206.122 42.47708 313.8291 
1 1 1    0   23    1 o  862.732  147.876   12.086   3.8510   15.967   4.4543   0.5983   7.6635  994.732  147.472  578.873  244.963 415.8596 285.9280 
1 1 1    0   23    3 o  989.649  120.717   15.656   3.6633   13.771   4.8589   18.138   5.5761  916.899  175.635  1055.89  174.768 -138.9893 247.7729 
1 1 1    0   23    5 o  453.421  164.569   2.6856   3.0159  -1.5854   3.8509   9.4602   4.8500  367.299  164.053  757.242  201.142 -389.9419 259.5604 
1 1 1    0   23    7 o  1068.73  135.888   18.314   4.4446   30.328   7.1568   10.772   5.6706  1372.75  170.145  807.332  218.838 565.4213 277.1988 
1 1 1    0   23    9 o  1553.69  108.831   38.186   5.2611   40.750   6.2670   32.066   9.6826  1602.53  125.906  1397.13  229.285 205.4027 261.5801 
1 1 1    0   23   11 o  691.664  151.969   7.8645   3.2014   5.4444   5.3962   9.1789   3.9769  622.878  220.844  745.627  173.582 -122.7485 280.8964 
1 1 1    0   23   13 o  948.999  177.246   14.768   5.0733   9.5030   6.1356   26.149   9.0207  766.264  234.125  1255.20  238.229 -488.9338 334.0172 
1 1 1    0   23   15 o  555.835  198.867   4.2403   4.3851   3.9110   5.2138   5.0363   8.1065  570.337  214.682  682.518  264.956 -112.1818 341.0134 
1 1 1    0   23   17 o  801.800  156.850   10.544   3.7969   9.2865   4.1909   16.305   8.9698  748.699  180.805  985.291  278.417 -236.5927 331.9729 
1 1 1    0   23   19 o  1329.44  113.386   28.078   4.6749   26.240   8.4618   28.885   5.6086  1259.23  222.755  1344.58  135.038 -85.35291 260.4904 
1 1 1    0   23   21 o  596.090  153.294   5.8567   2.8774   7.3111   3.8927   4.1049   4.2721  665.753  181.671  546.906  196.223 118.8472 267.4088 
1 1 1    0   23   23 f  1185.14  121.693   22.439   4.4518   21.933   5.2661   23.707   8.3342  1166.09  147.525  1190.17  231.970 -24.08704 274.9070 
1 1 1    0   23   25 o  1979.96  107.384   62.112   6.6326   65.745   7.9948   54.090   11.879  2032.69  126.233  1815.44  213.023 217.2535 247.6156 
1 1 1    0   23   27 o  705.697  190.318   8.3416   4.3018   12.771   5.4457   0.9903   7.0156  869.520  203.600  555.048  234.602 314.4723 310.6307 
1 1 1    0   23   29 o  505.060  207.065   1.7954   5.2297   1.5700   7.9946   1.9641   6.9142  593.358  250.597  567.166  235.835 26.19208 344.1176 
1 1 1    0   23   31 o  636.032  226.517   6.2014   5.6830   3.0162   9.0076   8.3077   7.3249  640.895  268.060  722.436  257.177 -81.54077 371.4790 
1 1 1    0   23   33 o  809.251  266.049   11.681   7.8011   0.0000   0.0000   11.681   7.8011  ?   ?   809.251  266.049 0.000000 266.0489 
1 1 1    0   23   35 o  883.378  219.921   14.102   6.0595   5.9701   9.4610   19.757   7.8902  684.527  279.328  1033.02  247.226 -348.4948 373.0218 
1 1 1    0   23   37 o  687.204  207.142   8.5138   4.8265   7.6891   6.1137   9.8781   7.8634  664.560  235.128  736.995  266.004 -72.43506 355.0253 
1 1 1    0   23   39 f  432.617  193.158  -0.7457   5.3335  -0.7457   5.3335   0.0000   0.0000  432.617  193.158  ?   ?  0.000000 193.1584 
1 1 1    0   23   41 o  653.758  205.593   8.0622   4.6928   12.928   5.7203  -1.9524   8.2066  814.939  219.333  496.933  228.747 318.0053 316.9096 
1 1 1    0   23   43 o  491.030  214.252   1.7742   6.2116  -3.4549   10.503   4.5869   7.7031  518.752  245.221  572.453  244.045 -53.70087 345.9639 
1 1 1    0   24    0 o  967.181  185.847   15.235   5.4238   25.969   6.9830  -1.0887   8.6114  1271.41  180.468  587.331  254.290 684.0829 311.8210 
1 1 1    0   24    2 o  919.766  144.205   13.668   4.0166   17.617   4.7274   3.4161   7.6164  1046.07  148.494  635.325  253.693 410.7467 293.9568 
1 1 1    0   24    4 o  633.510  173.800   6.5591   3.5516   8.4055   4.6713   4.0298   5.4675  716.722  200.358  583.432  219.798 133.2903 297.4134 
1 1 1    0   24    6 o  909.351  203.943   13.672   5.6639   0.0000   0.0000   13.672   5.6639  ?   ?   909.351  203.943 0.000000 203.9431 
1 1 1    0   24    8 o  756.215  176.253   9.4269   4.0963   16.375   6.2081   4.0695   5.4515  996.294  205.812  583.882  219.573 412.4120 300.9496 
1 1 1    0   24   10 o  860.672  145.109   12.015   3.7716   17.935   6.4611   8.9550   4.6451  1043.63  205.030  737.440  197.298 306.1884 284.5418 
1 1 1    0   24   12 o  1292.81  100.986   26.443   4.0555   30.609   5.7846   22.416   5.6874  1386.24  134.977  1179.96  157.893 206.2841 207.7234 
1 1 1    0   24   14 o  509.383  162.996   4.0215   2.9394   4.9013   4.3855   3.3039   3.9607  579.865  199.543  510.623  188.096 69.24219 274.2215 
1 1 1    0   24   16 o  648.961  159.351   6.9366   3.2144   11.909   4.6545   2.4028   4.4444  849.953  180.467  499.172  195.516 350.7810 266.0730 
1 1 1    0   24   18 o  841.357  162.294   11.600   4.1207   15.987   4.5332  -9.2683   9.8869  994.000  150.342  519.812  243.263 474.1876 285.9713 
1 1 1    0   24   20 o  760.774  235.719   9.3485   6.1947   8.1999   7.8418   11.255   10.103  752.532  266.289  865.391  302.575 -112.8589 403.0648 
1 1 1    0   24   22 o  478.564  180.285   2.7218   3.6783   2.7218   3.6783   0.0000   0.0000  478.564  180.285  ?   ?  0.000000 180.2845 
1 1 1    0   24   24 o  768.333  143.732   9.6807   3.3308   13.503   4.3445   4.2300   5.1880  907.463  158.672  576.047  214.674 331.4161 266.9495 
1 1 1    0   24   26 o  287.054  131.939  -1.9673   2.7165  -2.4711   3.5740  -1.2780   4.1803  330.641  151.738  388.809  172.456 -58.16864 229.7076 
1 1 1    0   24   28 o  769.831  178.979   9.9960   4.2326   8.5786   5.0695   13.258   7.6900  714.199  211.621  875.482  260.919 -161.2831 335.9497 
1 1 1    0   24   30 o  783.317  194.913   10.521   4.7615   9.2200   5.9468   12.844   7.9479  736.917  231.387  856.143  267.286 -119.2263 353.5274 
1 1 1    0   24   32 o  543.051  198.652   4.2307   4.4068   5.1991   5.3410   2.1656   7.7996  595.711  218.579  588.612  247.999 7.098755 330.5753 
1 1 1    0   24   34 o  688.792  261.550   7.2113   7.7804   0.0000   0.0000   7.2113   7.7804  ?   ?   688.792  261.550 0.000000 261.5503 
1 1 1    0   24   36 o  675.188  238.273   7.7782   6.2745   22.265   10.388  -0.5417   7.8727  1056.65  299.989  531.501  236.163 525.1451 381.7932 
1 1 1    0   24   38 o  523.784  246.844  -6.5908   10.495  -6.5908   10.495   0.0000   0.0000  523.784  246.844  ?   ?  0.000000 246.8443 
1 1 1    0   24   40 o  524.193  210.231   3.5536   5.2553   2.1445   6.8082   5.6311   8.2666  532.135  228.207  629.360  259.448 -97.22479 345.5306 
1 1 1    0   24   42 o  1020.96  239.695   20.946   7.5317   8.2692   12.416   28.326   9.4737  696.993  303.550  1163.61  265.833 -466.6182 403.4964 
1 1 1    0   25    1 o  546.334  196.057   4.0149   4.2651  -0.0000   6.6357   6.8412   5.5674  530.438  226.329  673.506  224.910 -143.0675 319.0753 
1 1 1    0   25    3 o  543.980  197.184   3.8910   4.3277   5.0885   6.4664   2.9194   5.8244  642.930  239.655  565.733  223.123 77.19708 327.4422 
1 1 1    0   25    5 f  526.184  215.554   1.5722   5.6617   0.0000   0.0000   1.5722   5.6617  ?   ?   526.184  215.554 0.000000 215.5541 
1 1 1    0   25    7 o  786.089  162.773   10.122   3.8747   11.882   5.0514   7.6058   6.0392  848.844  194.252  706.592  234.170 142.2523 304.2527 
1 1 1    0   25    9 f  598.601  162.775   5.8494   3.1315   5.9479   4.5368   5.7598   4.3278  622.335  202.805  611.268  198.011 11.06696 283.4401 
1 1 1    0   25   11 o  294.452  136.119  -2.4305   2.9510   1.0036   4.3140  -5.4507   4.0457  454.652  187.425  310.627  148.357 144.0255 239.0361 
1 1 1    0   25   13 o  442.030  165.925   2.2971   3.1103   6.1712   4.5254  -1.1713   4.2819  630.009  202.313  399.815  176.073 230.1943 268.2019 
1 1 1    0   25   15 o  493.466  182.551   3.0335   3.7379 -11.3484   7.3149   8.1161   4.3485  400.755  193.452  703.122  192.074 -302.3673 272.6093 
1 1 1    0   25   17 o  479.412  171.808   3.1040   3.2742   1.2829   4.3103   5.5883   5.0345  461.402  188.439  618.987  213.753 -157.5855 284.9559 
1 1 1    0   25   19 o  529.648  174.836   4.2690   3.3677   5.7947   4.5723   2.4599   4.9789  615.362  203.748  520.649  205.990 94.71246 289.7333 
1 1 1    0   25   21 o  1117.96  112.395   19.920   3.8812   21.805   5.3099   17.758   5.6871  1162.72  149.295  1039.92  181.242 122.8037 234.8136 
1 1 1    0   25   23 o  242.080  119.791  -7.6893   3.3686  -7.6893   3.3686   0.0000   0.0000  242.080  119.791  ?   ?  0.000000 119.7906 
1 1 1    0   25   25 o  602.090  201.463   5.6189   4.4672   5.6189   4.4672   0.0000   0.0000  602.090  201.463  ?   ?  0.000000 201.4629 
1 1 1    0   25   27 o  1251.56  150.799   25.491   5.7907   25.491   5.7907   0.0000   0.0000  1251.56  150.799  ?   ?  0.000000 150.7989 
1 1 1    0   25   29 o  569.355  186.471   5.1720   3.8336   3.1281   5.5986   6.9764   5.2603  550.188  218.195  657.337  218.582 -107.1489 308.8484 
1 1 1    0   25   31 o  417.610  174.125   0.8548   3.7839   3.5650   5.7664  -1.1948   5.0146  563.375  222.067  426.250  188.982 137.1240 291.5956 
1 1 1    0   25   33 o  663.201  215.279   7.4211   5.1139   8.0791   6.3198   6.1732   8.7036  696.828  239.555  688.009  272.306 8.819092 362.6805 
1 1 1    0   25   35 o  505.313  231.093  -3.3912   8.1910   0.0000   0.0000  -3.3912   8.1910  ?   ?   505.313  231.093 0.000000 231.0932 
1 1 1    0   25   37 o  517.457  222.198   1.1785   6.4693   1.1785   6.4693   0.0000   0.0000  517.457  222.198  ?   ?  0.000000 222.1983 
1 1 1    0   25   39 o  496.433  236.690  -8.4890   10.205  -8.4890   10.205   0.0000   0.0000  496.433  236.690  ?   ?  0.000000 236.6899 
1 1 1    0   26    0 o  1974.81  215.986   62.219   13.138   0.0000   0.0000   62.219   13.138  ?   ?   1974.81  215.986 0.000000 215.9857 
1 1 1    0   26    2 o  469.736  190.429   1.4516   4.3625  -2.0404   6.6716   4.0600   5.7660  494.690  218.718  594.868  225.335 -100.1785 314.0274 
1 1 1    0   26    4 o  846.123  199.419   11.800   5.1970   17.828   8.2002   7.7531   6.7186  1036.31  254.551  724.456  247.044 311.8490 354.7215 
1 1 1    0   26    6 o  899.910  158.945   13.155   4.3150   20.500   5.6032   2.4499   6.7643  1127.98  163.400  587.393  237.475 540.5851 288.2600 
1 1 1    0   26    8 o  782.776  154.232   10.002   3.6459   16.210   5.2926   4.3962   5.0296  998.036  175.777  582.009  212.328 416.0268 275.6467 
1 1 1    0   26   10 o  773.597  157.330   9.7899   3.6813   12.713   5.3497   7.1611   5.0735  877.822  199.193  675.629  213.926 202.1928 292.3047 
1 1 1    0   26   12 o  453.108  175.417   2.0873   3.5458  -0.5752   4.6571   5.7591   5.4691  432.064  187.035  636.024  222.610 -203.9597 290.7531 
1 1 1    0   26   14 o  647.323  212.915   6.4206   4.9960   6.4206   4.9960   0.0000   0.0000  647.323  212.915  ?   ?  0.000000 212.9149 
1 1 1    0   26   16 o  662.862  206.630   6.9885   4.7520   6.9885   4.7520   0.0000   0.0000  662.862  206.630  ?   ?  0.000000 206.6302 
1 1 1    0   26   18 o  675.161  196.304   7.4432   4.3985   10.167   4.8927  -4.0333   10.044  782.288  199.205  586.025  263.113 196.2629 330.0169 
1 1 1    0   26   20 o  547.399  174.808   4.6981   3.3821   3.0035   4.7015   6.5157   4.8691  524.863  202.327  645.171  210.096 -120.3077 291.6782 
1 1 1    0   26   22 o  360.405  157.582  -0.6604   3.3757  -3.8193   4.3767   3.9782   5.3036  352.313  163.867  571.894  216.236 -219.5811 271.3127 
1 1 1    0   26   24 o  425.458  171.574   1.3833   3.5213   1.5813   4.5890   1.0996   5.4914  477.693  194.689  501.897  209.558 -24.20413 286.0394 
1 1 1    0   26   26 o  343.059  154.923  -1.7566   3.5409  -3.1966   4.5570   0.4377   5.6253  370.808  170.602  490.801  208.875 -119.9928 269.6926 
1 1 1    0   26   28 o  417.465  185.884  -1.5266   4.9031  -1.5266   4.9031   0.0000   0.0000  417.465  185.884  ?   ?  0.000000 185.8837 
1 1 1    0   26   30 o  322.348  158.365 -10.7961   5.5358 -10.7961   5.5358   0.0000   0.0000  322.348  158.365  ?   ?  0.000000 158.3650 
1 1 1    0   26   32 o  1062.10  321.158   21.268   11.589   21.268   11.589   0.0000   0.0000  1062.10  321.158  ?   ?  0.000000 321.1581 
1 1 1    0   26   34 o  394.716  175.014  -1.0121   4.3015  -8.4391   6.3546   5.2695   5.8441  378.860  182.250  606.727  227.502 -227.8662 291.4998 
1 1 1    0   27    1 o  677.381  191.030   7.4608   4.2271   10.032   5.4769   3.6722   6.6478  782.800  216.270  612.516  239.337 170.2836 322.5760 
1 1 1    0   27    3 o  1203.44  158.826   23.244   5.8388   14.692   9.0841   29.265   7.6216  949.991  283.690  1347.56  185.547 -397.5665 338.9807 
1 1 1    0   27    5 o  612.709  215.821   5.2562   5.1454  -4.2618   7.7121   12.892   6.9076  502.022  227.497  884.732  242.244 -382.7108 332.3206 
1 1 1    0   27    7 o  463.728  204.831  -1.7361   5.8376   0.8294   7.4126  -5.9252   9.4721  575.826  242.145  546.149  249.280 29.67737 347.5263 
1 1 1    0   27    9 o  403.500  177.203  -1.0809   4.3105  -4.4470   7.6112   0.5085   5.2300  494.782  224.910  483.127  203.292 11.65500 303.1702 
1 1 1    0   27   11 o  458.463  181.702   1.8114   3.8802   0.3721   5.2740   3.5099   5.7290  481.539  203.464  577.220  223.111 -95.68118 301.9539 
1 1 1    0   27   13 o  991.224  140.357   15.820   4.2346   19.074   5.9274   12.427   6.0517  1081.68  181.430  865.046  222.237 216.6297 286.8908 
1 1 1    0   27   15 o  556.021  178.834   4.8008   3.5349   4.7647   4.7889   4.8440   5.2398  585.001  207.978  599.683  217.033 -14.68207 300.5960 
1 1 1    0   27   17 o  352.715  155.221  -0.8776   3.3225  -1.3220   4.4878  -0.3386   4.9424  406.034  179.460  449.200  193.567 -43.16571 263.9582 
1 1 1    0   27   19 o  810.402  198.040   10.955   4.9828   8.6121   5.4740   22.282   12.035  726.969  220.929  1137.66  322.862 -410.6860 391.2151 
1 1 1    0   27   21 o  459.242  180.669   2.0111   3.8098   5.3070   4.8798  -3.1346   6.0972  602.464  210.306  447.066  202.465 155.3976 291.9258 
1 1 1    0   27   23 o  502.085  184.139   3.3160   3.7899  -5.1226   4.7546   18.020   6.2763  351.819  165.906  1039.42  200.102 -687.6006 259.9340 
1 1 1    0   27   25 o  458.385  181.471   1.9588   3.8663   2.3180   5.0248   1.4376   6.0534  513.930  205.763  530.247  220.590 -16.31677 301.6592 
1 1 1    0   27   27 o  822.942  186.366   11.412   4.6908   21.039   6.5014   0.9583   6.7746  1123.03  191.770  544.026  230.273 579.0007 299.6689 
1 1 1    0   27   29 f  515.242  190.973   3.5145   4.0947   0.5694   5.5821   6.9452   6.0246  489.838  208.259  670.021  233.690 -180.1829 313.0226 
1 1 1    0   27   31 o  753.824  203.480   9.7454   4.9148  -1.1446   7.0730   19.913   6.8343  511.216  225.654  1078.63  209.904 -567.4101 308.1874 
1 1 1    0   27   35 o  871.531  292.533   13.874   9.4191   13.874   9.4191   0.0000   0.0000  871.531  292.533  ?   ?  0.000000 292.5327 
1 1 1    0   28    0 o  849.439  234.409   11.755   6.4385   11.924   8.2460   11.492   10.305  870.574  272.328  888.946  305.883 -18.37256 409.5449 
1 1 1    0   28    2 o  418.985  194.591  -5.3364   6.1354 -14.1003   7.6800   10.124   10.200  391.743  191.204  848.652  303.341 -456.9083 358.5735 
1 1 1    0   28    4 o  540.556  210.703   2.8890   5.1427   2.6336   5.8992   3.6979   10.497  560.833  223.482  724.756  294.808 -163.9234 369.9409 
1 1 1    0   28    6 o  389.529  177.180  -2.8800   4.7332  -3.8178   5.3899   0.2805   9.8944  406.446  186.458  648.435  276.515 -241.9895 333.5074 
1 1 1    0   28    8 o  404.457  172.797  -0.0847   3.8769   6.1619   5.6597  -5.6073   5.3216  652.801  226.569  376.073  176.782 276.7279 287.3767 
1 1 1    0   28   10 o  442.864  190.673  -0.3523   4.7874   5.4344   9.1756  -2.5169   5.6118  721.456  281.381  438.499  196.789 282.9575 343.3674 
1 1 1    0   28   12 f  849.566  197.865   11.958   5.1656   18.277   9.1348   8.9877   6.2631  1043.20  275.546  751.755  237.650 291.4476 363.8719 
1 1 1    0   28   14 o  614.544  208.944   5.6239   4.8059   17.500   8.9139   0.7572   5.7063  1020.04  273.485  507.152  212.818 512.8883 346.5333 
1 1 1    0   28   16 o  997.849  143.862   16.083   4.3651   19.157   5.9471   12.493   6.4272  1082.16  181.964  865.290  232.324 216.8679 295.1029 
1 1 1    0   28   18 o  903.678  159.790   13.356   4.3561   7.6355   5.8732   20.350   6.4944  700.089  230.878  1112.24  193.503 -412.1525 301.2447 
1 1 1    0   28   20 o  517.702  191.177   3.4364   4.0959   1.6671   5.3067   6.0435   6.4419  510.784  208.903  662.362  240.502 -151.5780 318.5616 
1 1 1    0   28   22 o  516.311  206.201   2.3201   5.0325   2.3201   5.0325   0.0000   0.0000  516.311  206.201  ?   ?  0.000000 206.2012 
1 1 1    0   28   24 o  1144.57  178.402   21.526   6.1854   21.526   6.1854   0.0000   0.0000  1144.57  178.402  ?   ?  0.000000 178.4023 
1 1 1    0   28   26 o  411.444  176.300  -0.0293   4.0572   3.4902   5.2547  -5.2246   6.3843  554.005  213.806  426.394  198.187 127.6109 291.5321 
1 1 1    0   28   28 o  360.316  166.699  -3.4402   4.4389   6.8631   6.1504 -14.6419   6.4129  672.487  236.028  330.551  163.874 341.9360 287.3394 
1 1 1    0   28   30 o  1059.91  267.895   19.856   8.8953   19.856   8.8953   0.0000   0.0000  1059.91  267.895  ?   ?  0.000000 267.8953 
1 1 1    0   28   32 o  537.138  246.895  -5.1897   9.5133  -5.1897   9.5133   0.0000   0.0000  537.138  246.895  ?   ?  0.000000 246.8945 
1 1 1    0   29    1 o  853.146  294.845   10.800   9.5798   10.800   9.5798   0.0000   0.0000  853.146  294.845  ?   ?  0.000000 294.8448 
1 1 1    0   29    3 o  831.542  217.454   11.427   5.7262   15.575   6.4384  -4.2738   12.526  969.966  217.367  665.430  296.639 304.5359 367.7548 
1 1 1    0   29    5 o  314.236  153.392  -9.1611   4.9469 -12.0390   5.6090   0.9160   10.496  319.148  157.301  676.648  286.526 -357.4995 326.8656 
1 1 1    0   29    7 o  839.757  174.723   11.585   4.4447   18.890   6.4017   4.7869   6.1760  1073.54  197.727  625.553  234.008 447.9850 306.3588 
1 1 1    0   29    9 o  657.095  193.928   6.9805   4.2643   4.6149   6.0957   9.2479   5.9677  618.202  232.241  757.541  230.778 -139.3389 327.4056 
1 1 1    0   29   11 o  277.494  138.218 -12.2309   4.7817 -17.4199   9.4129 -10.4261   5.5513  430.921  210.617  330.968  161.760 99.95291 265.5673 
1 1 1    0   29   13 o  432.748  177.357   1.0457   3.8350  -2.4203   5.2980   4.8609   5.5584  425.017  190.940  609.227  223.067 -184.2099 293.6271 
1 1 1    0   29   15 o  669.066  218.328   6.9587   5.2572   10.870   10.626   5.6912   6.0494  866.116  309.604  645.765  233.276 220.3509 387.6502 
1 1 1    0   29   17 o  961.844  193.396   15.296   5.6227   20.172   10.235   13.188   6.7290  1089.64  293.441  888.080  237.409 201.5556 377.4528 
1 1 1    0   29   19 o  428.506  182.682   0.0544   4.3166   2.8096   5.6779  -3.7190   6.6446  554.103  219.738  462.682  210.252 91.42090 304.1228 
1 1 1    0   29   21 o  702.049  200.878   8.1290   4.6393   7.5481   5.8358   9.1266   7.6476  695.495  230.179  770.722  263.568 -75.22754 349.9287 
1 1 1    0   29   23 o  424.192  180.669   0.1187   4.2146  -3.1864   5.3188   5.6954   6.9090  410.585  187.169  662.746  247.588 -252.1606 310.3738 
1 1 1    0   29   25 o  548.790  211.557   3.3869   5.1404   6.6335   7.0561  -0.2848   7.5037  688.889  251.465  550.077  237.767 138.8121 346.0750 
1 1 1    0   29   27 o  451.536  193.373   0.0455   4.8762  -1.4124   6.6769   1.7119   7.1383  497.778  219.508  573.654  239.171 -75.87634 324.6330 
1 1 1    0   29   29 o  337.266  160.111  -5.3825   4.5700   1.5720   6.0552 -14.5867   6.9660  531.455  220.819  353.815  174.561 177.6404 281.4824 
1 1 1    0   30    0 o  883.674  271.152   12.411   8.2197   18.619   10.465   2.4126   13.281  1066.87  300.461  784.754  326.629 282.1154 443.8054 
1 1 1    0   30    2 o  484.225  203.444   0.5675   5.2250   4.1744   6.6580  -5.2146   8.4300  624.163  240.727  516.224  235.445 107.9393 336.7256 
1 1 1    0   30    4 o  586.500  223.688   3.8628   5.7066   5.9127   6.4108  -3.9604   12.524  663.517  240.074  669.280  297.601 -5.762695 382.3638 
1 1 1    0   30    6 o  427.820  198.848  -5.6291   6.4266  -5.6291   6.4266   0.0000   0.0000  427.820  198.848  ?   ?  0.000000 198.8475 
1 1 1    0   30    8 o  1037.21  200.259   17.676   6.2684   13.981   7.1455   30.018   13.058  917.697  244.327  1331.96  317.576 -414.2615 400.6873 
1 1 1    0   30   10 o  751.721  198.312   9.3186   4.7354   11.628   6.7743   7.1123   6.6220  841.624  243.305  701.644  244.986 139.9803 345.2757 
1 1 1    0   30   12 o  475.305  190.222   1.7941   4.2926   5.1739   5.9272  -1.9339   6.2250  628.923  230.337  476.021  210.827 152.9016 312.2550 
1 1 1    0   30   14 o  517.847  209.621   1.9014   5.2777  -5.8098   9.9980   4.8801   6.2140  563.602  256.804  628.014  234.766 -64.41132 347.9417 
1 1 1    0   30   16 o  402.466  177.400  -1.1928   4.3563  -7.3643   5.8306   6.6056   6.5542  377.129  179.560  683.972  243.294 -306.8430 302.3802 
1 1 1    0   30   18 o  350.148  164.079  -4.5175   4.5235  -0.5773   5.9330  -9.9875   6.9905  487.896  211.156  399.535  191.935 88.36148 285.3521 
1 1 1    0   30   20 o  284.655  143.847 -20.8529   6.2145   0.0000   0.0000 -20.8529   6.2145  ?   ?   284.655  143.847 0.000000 143.8474 
1 1 1    0   30   22 o  516.909  230.259  -2.4865   7.5320   0.0000   0.0000  -2.4865   7.5320  ?   ?   516.909  230.259 0.000000 230.2587 
1 1 1    0   30   24 o  392.057  177.501  -2.4684   4.6824 -10.7089   6.2487   8.0841   7.0711  358.738  174.511  730.922  253.273 -372.1843 307.5731 
1 1 1    0   31    1 o  644.165  226.883   5.8407   5.6863   13.288   7.0162  -8.4128   9.7065  896.961  243.541  525.168  244.189 371.7938 344.8773 
1 1 1    0   31    3 o  824.307  219.938   11.201   5.7821   2.2203   7.3752   25.525   9.3143  602.555  246.335  1242.24  248.141 -639.6840 349.6498 
1 1 1    0   31    5 o  477.951  196.607   1.1718   4.7344  -2.7704   6.7285   5.0373   6.6628  484.141  216.501  646.656  242.829 -162.5160 325.3283 
1 1 1    0   31    7 o  533.037  209.973   2.6095   5.1522   5.8671   6.8050  -1.7663   7.8868  672.231  246.712  546.439  239.843 125.7923 344.0807 
1 1 1    0   31    9 o  448.519  202.154  -2.9769   5.9949  -3.1883   6.6734  -2.0931   13.646  474.749  213.696  724.351  316.766 -249.6015 382.1081 
1 1 1    0   31   11 o  389.107  182.516  -5.7208   5.6209  -4.3190   6.0430 -14.7156   15.308  429.184  197.090  641.206  300.906 -212.0212 359.7063 
1 1 1    0   31   13 o  1039.44  374.705   15.712   15.596   0.0000   0.0000   15.712   15.596  ?   ?   1039.44  374.705 0.000000 374.7050 
1 1 1    0   31   15 o  428.978  190.740  -1.8249   5.1440   6.5283   7.6003  -8.8858   6.9877  706.843  260.532  411.930  196.251 294.9133 326.1771 
1 1 1    0   31   17 o  585.137  219.954   4.1341   5.4694   7.5567   8.1735   1.3590   7.3600  744.426  270.812  581.832  242.742 162.5943 363.6797 
1 1 1    0   31   19 o  388.872  185.685  -8.3068   6.3299   8.8549   12.010 -14.9076   7.4484  848.739  324.316  374.442  183.905 474.2971 372.8299 
1 1 1    0   31   21 o  395.289  179.389  -2.7160   4.8165   3.8549   5.9214 -15.5648   8.2802  589.800  227.147  401.582  196.544 188.2176 300.3754 
1 1 1    0   32    0 o  628.145  260.876   1.5093   8.4458 -18.8458   10.847   32.849   13.459  474.481  230.608  1410.18  312.985 -935.7034 388.7668 
1 1 1    0   32    2 o  845.657  234.618   11.744   6.4309   13.121   8.0602   9.3319   10.668  898.140  267.002  840.952  308.856 57.18854 408.2667 
1 1 1    0   32    4 o  466.675  199.104  -0.0442   5.1345   12.723   7.2251 -13.0709   7.2981  880.728  250.229  385.029  187.587 495.6996 312.7354 
1 1 1    0   32    6 o  278.766  139.073 -12.9807   4.9221 -14.3140   7.1384 -11.7722   6.7961  367.820  180.528  375.336  182.448 -7.515167 256.6665 
1 1 1    0   32    8 o  825.979  220.515   11.245   5.8102   10.236   7.6831   12.593   8.8801  810.756  263.907  890.276  283.142 -79.52051 387.0609 
1 1 1    0   32   10 f  415.765  188.675  -3.0791   5.3276  -5.7652   7.9333  -0.8727   7.1900  489.687  225.224  535.281  232.056 -45.59351 323.3817 
1 1 1    0   32   12 o  450.580  197.779  -1.2787   5.3637  -5.0196   8.1220   1.6146   7.1428  506.761  231.119  581.294  240.538 -74.53256 333.5787 
1 1 1    0   32   14 o  1281.15  216.030   26.875   8.3580   20.555   9.5947   46.759   17.019  1106.92  277.379  1661.74  338.570 -554.8164 437.6862 
1 1 1    0   33    1 o  845.565  259.414   11.459   7.5238  -7.1834   10.934   28.227   10.369  582.618  266.647  1306.64  262.552 -724.0207 374.2114 
1 1 1    0   33    3 o  509.017  209.667   1.2851   5.3932  -3.6703   7.6282   6.2378   7.6261  507.609  228.481  703.719  260.665 -196.1099 346.6267 
1 1 1    1    0   11 o  1055.43  137.664   18.346   4.3355   18.346   4.3355   18.346   4.3355  1055.43  137.664  1055.43  137.664 -0.000000 0.000000 
1 1 1    1    0   15 o  108.870   71.499  -0.1087   0.6137  -0.1087   0.6137  -0.1087   0.6137  108.870   71.499  108.870   71.499 -0.000000 0.000000 
1 1 1    1    0   17 o  109.962   72.865  -0.1752   0.6604  -0.1752   0.6604  -0.1752   0.6604  109.962   72.865  109.962   72.865 -0.000000 0.000000 
1 1 1    1    0   19 o  1709.08  146.154   47.026   7.6899   47.026   7.6899   47.026   7.6899  1709.08  146.154  1709.08  146.154 -0.000000 0.000000 
1 1 1    1    0   21 o  1071.47  141.333   19.001   4.5123   19.001   4.5123   19.001   4.5123  1071.47  141.333  1071.47  141.333 -0.000000 0.000000 
1 1 1    1    0   23 o  1529.78  143.672   37.884   6.7426   37.884   6.7426   37.884   6.7426  1529.78  143.672  1529.78  143.672 -0.000000 0.000000 
1 1 1    1    0   25 o  1259.93  142.064   26.025   5.4212   26.025   5.4212   26.025   5.4212  1259.93  142.064  1259.93  142.064 -0.000000 0.000000 
1 1 1    1    0   27 o  3551.68  204.621  204.870   22.583  204.870   22.583  204.870   22.583  3551.68  204.621  3551.68  204.621 -0.000000 0.000000 
1 1 1    1    0   29 o   94.106   69.151  -3.8862   1.3872  -3.8862   1.3872  -3.8862   1.3872   94.106   69.151   94.106   69.151 -0.000000 0.000000 
1 1 1    1    0   31 o  3514.30  205.568  202.095   22.444  202.095   22.444  202.095   22.444  3514.30  205.568  3514.30  205.568 -0.000000 0.000000 
1 1 1    1    0   39 o  5103.09  276.207  440.665   43.840  440.665   43.840  440.665   43.840  5103.09  276.207  5103.09  276.207 -0.000000 0.000000 
1 1 1    1    0   41 o  2372.48  171.704   91.709   12.602   91.709   12.602   91.709   12.602  2372.48  171.704  2372.48  171.704 -0.000000 0.000000 
1 1 1    1    0   49 o  497.869  259.108   6.0739   5.2584   6.0739   5.2584   6.0739   5.2584  497.869  259.108  497.869  259.108 -0.000000 0.000000 
1 1 1    1    0   51 o  1537.54  185.276   40.082   8.5768   40.082   8.5768   40.082   8.5768  1537.54  185.276  1537.54  185.276 -0.000000 0.000000 
1 1 1    1    0   53 o  882.693  283.085   16.695   6.9015   16.695   6.9015   16.695   6.9015  882.693  283.085  882.693  283.085 -0.000000 0.000000 
1 1 1    1    0   57 o  492.285  279.321   6.4931   6.6688   6.4931   6.6688   6.4931   6.6688  492.285  279.321  492.285  279.321 -0.000000 0.000000 
1 1 1    1    0   61 o  2283.97  198.818   91.979   13.971   91.979   13.971   91.979   13.971  2283.97  198.818  2283.97  198.818 -0.000000 0.000000 
1 1 1    1    1    8 o  6229.88   15.201  607.669   2.9652  1690.30   4.9456   0.0516   3.7050 10390.29   15.201  400.157  169.886 9990.131 170.5650 
1 1 1    1    1   10 o  9385.77  311.021  1410.65   91.406  1507.17  129.270  1314.13  129.266  9604.64  429.831  8927.66  464.014 676.9766 632.5056 
1 1 1    1    1   12 o  1008.34   92.155   16.091   2.8775   15.017   4.0759   17.158   4.0629  966.954  138.578  1036.61  127.883 -69.65479 188.5683 
1 1 1    1    1   14 o  2785.81  120.713  122.243   10.530  124.318   14.908  120.176   14.875  2795.81  171.110  2748.01  173.771 47.80518 243.8746 
1 1 1    1    1   18 o  2289.76  159.898   84.085   11.392   84.085   11.392   0.0000   0.0000  2289.76  159.898  ?   ?  0.000000 159.8981 
1 1 1    1    1   20 o  1159.53  136.850   21.676   4.8730   21.676   4.8730   0.0000   0.0000  1159.53  136.850  ?   ?  0.000000 136.8500 
1 1 1    1    1   22 o  1230.58  138.155   24.460   5.2315   24.460   5.2315   0.0000   0.0000  1230.58  138.155  ?   ?  0.000000 138.1553 
1 1 1    1    1   24 o  1607.26  145.016   41.898   7.2197   41.898   7.2197   0.0000   0.0000  1607.26  145.016  ?   ?  0.000000 145.0159 
1 1 1    1    1   26 o  460.433  141.281   3.4689   2.2315   3.4689   2.2315   0.0000   0.0000  460.433  141.281  ?   ?  0.000000 141.2813 
1 1 1    1    1   30 o  1271.91  149.703   27.416   5.8480   0.0000   0.0000   27.416   5.8480  ?   ?   1271.91  149.703 0.000000 149.7027 
1 1 1    1    1   32 o  1947.66  162.549   65.586   9.8226   0.0000   0.0000   65.586   9.8226  ?   ?   1947.66  162.549 0.000000 162.5486 
1 1 1    1    1   34 o  2352.52  121.412   92.841   8.9131   83.591   12.649  101.964   12.562  2129.62  191.739  2393.27  168.705 -263.6460 255.3924 
1 1 1    1    1   36 f  2876.33  135.393  143.286   12.194  140.501   17.286  146.044   17.204  2676.75  207.873  2745.62  201.521 -68.87573 289.5207 
1 1 1    1    1   38 o  2578.51  200.026  129.416   16.024  129.416   16.024   0.0000   0.0000  2578.51  200.026  ?   ?  0.000000 200.0262 
1 1 1    1    1   42 o  3322.21  256.703  245.581   26.497   0.0000   0.0000  245.581   26.497  ?   ?   3322.21  256.703 0.000000 256.7030 
1 1 1    1    1   48 o  1437.14  203.113   45.836   8.8855   45.836   8.8855   0.0000   0.0000  1437.14  203.113  ?   ?  0.000000 203.1129 
1 1 1    1    1   50 o  3071.36  174.917  210.751   16.752  214.734   23.750  206.806   23.633  2360.63  330.361  2266.56  343.784 94.07568 476.7867 
1 1 1    1    1   52 o  2491.09  179.334  164.635   13.895  170.969   19.734  158.407   19.568  1491.04  409.939  1300.44  421.018 190.5952 587.6272 
1 1 1    1    1   54 o  346.440  169.984   7.2522   6.3142   7.2522   6.3142   0.0000   0.0000  346.440  169.984  ?   ?  0.000000 169.9845 
1 1 1    1    1   56 o  481.674  237.735   85.503   12.965   0.0000   0.0000   85.503   12.965  ?   ?   481.674  237.735 0.000000 237.7347 
1 1 1    1    1   58 o  ?   ?   -2.1702   4.3024  -2.7341   6.2469  -1.6614   5.9342  ?   ?   ?   ?  0.000000      ? 
1 1 1    1    1   60 o  ?   ?    22.055   8.3319   22.055   8.3319   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1    2    9 o  2262.06   72.849   80.206   5.1599  142.620   7.3404   19.238   7.2549  3016.17   77.722  1083.39  221.338 1932.782 234.5876 
1 1 1    1    2   11 o  454.800   93.631   3.3655   1.2890   4.1613   1.8408   2.6001   1.8054  504.525  118.536  408.422  127.371 96.10361 173.9950 
1 1 1    1    2   13 o  1430.85   96.445   32.309   4.2959   33.135   6.0798   31.484   6.0707  1443.56  136.112  1406.21  139.721 37.34717 195.0595 
1 1 1    1    2   15 o  1120.13  134.973   20.109   4.6387   20.109   4.6387   0.0000   0.0000  1120.13  134.973  ?   ?  0.000000 134.9731 
1 1 1    1    2   21 o  2662.37  172.654  114.549   14.316  114.549   14.316   0.0000   0.0000  2662.37  172.654  ?   ?  0.000000 172.6539 
1 1 1    1    2   29 o  1664.81  156.588   46.851   8.0669   46.851   8.0669   0.0000   0.0000  1664.81  156.588  ?   ?  0.000000 156.5877 
1 1 1    1    2   31 o  1668.80  158.723   47.667   8.1940   47.667   8.1940   0.0000   0.0000  1668.80  158.723  ?   ?  0.000000 158.7225 
1 1 1    1    2   33 o  1195.71  164.472   25.201   5.9949   25.201   5.9949   0.0000   0.0000  1195.71  164.472  ?   ?  0.000000 164.4719 
1 1 1    1    2   37 o  1497.62  161.115   40.779   7.4365   0.0000   0.0000   40.779   7.4365  ?   ?   1497.62  161.115 0.000000 161.1153 
1 1 1    1    2   39 o  1905.23  170.663   66.642   10.073   0.0000   0.0000   66.642   10.073  ?   ?   1905.23  170.663 0.000000 170.6629 
1 1 1    1    2   43 o  2367.91  199.738  112.110   14.671  112.110   14.671   0.0000   0.0000  2367.91  199.738  ?   ?  0.000000 199.7382 
1 1 1    1    2   45 o  489.866  200.609   4.3015   4.9017   4.3015   4.9017   0.0000   0.0000  489.866  200.609  ?   ?  0.000000 200.6089 
1 1 1    1    2   47 o  1492.30  200.374   47.737   9.1264   47.737   9.1264   0.0000   0.0000  1492.30  200.374  ?   ?  0.000000 200.3735 
1 1 1    1    2   49 o  1069.25  235.005   29.548   7.6536   29.548   7.6536   0.0000   0.0000  1069.25  235.005  ?   ?  0.000000 235.0053 
1 1 1    1    2   51 o  2151.25  152.332  102.031   10.195   82.041   14.609  121.008   14.234  1185.72  361.047  2009.71  230.348 -823.9840 428.2697 
1 1 1    1    2   53 o  510.625  228.927   20.740   7.5742   20.740   7.5742   0.0000   0.0000  510.625  228.927  ?   ?  0.000000 228.9266 
1 1 1    1    2   55 o  953.267  132.318   23.167   3.8431   33.061   7.8684   20.067   4.4041  527.834  235.219  731.411  190.432 -203.5767 302.6423 
1 1 1    1    2   57 o  1030.92  305.726  104.174   10.577   82.172   15.171  124.987   14.755  ?   ?   458.910  230.614 0.000000 230.6140 
1 1 1    1    2   59 o  ?   ?    12.052   7.9493   12.052   7.9493   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1    2   61 o  291.513  144.055   20.596   4.8120   23.844   9.9501   19.605   5.4976  ?   ?   252.957  128.562 0.000000 128.5623 
1 1 1    1    3    8 o  2590.76   40.998  105.124   3.3259  220.730   4.8457   2.1573   4.5731  3754.11   41.222  499.639  197.501 3254.470 201.7569 
1 1 1    1    3   10 o  7339.08  247.712  856.653   56.925  848.984   80.501  864.322   80.509  7246.94  354.754  7314.19  351.527 -67.25781 499.4211 
1 1 1    1    3   12 o  2815.68  122.101  124.760   10.765  126.227   15.224  123.293   15.225  2819.76  173.260  2786.19  175.407 33.56787 246.5497 
1 1 1    1    3   14 o  5288.45  187.984  445.264   31.129  468.677   44.025  421.857   44.021  5384.29  261.129  5091.49  277.165 292.8042 380.7998 
1 1 1    1    3   16 o  696.439   95.169   7.7772   2.0211   8.7239   2.8887   6.8694   2.8287  731.741  130.878  645.735  143.611 86.00507 194.3012 
1 1 1    1    3   24 o  156.660   62.442   0.1938   0.4606   0.0000   0.0000   0.1938   0.4606  ?   ?   156.660   62.442 0.000000 62.44194 
1 1 1    1    3   26 o  833.024   46.375   10.945   1.2049   36.552   2.1882  -0.1958   1.4434  1524.68   45.834  238.759  103.740 1285.925 113.4138 
1 1 1    1    3   28 o  503.341   74.732   4.1095   1.1421   12.416   2.0168   0.1885   1.3857  881.134   73.777  249.331  104.762 631.8030 128.1333 
1 1 1    1    3   30 o   62.579   31.230  -0.6638   0.2490   0.0000   0.0000  -0.6638   0.2490  ?   ?    62.579   31.230 0.000000 31.22962 
1 1 1    1    3   32 o  1946.13  158.152   65.163   9.5541   0.0000   0.0000   65.163   9.5541  ?   ?   1946.13  158.152 0.000000 158.1515 
1 1 1    1    3   34 f  1263.56  144.907   27.735   5.6296   0.0000   0.0000   27.735   5.6296  ?   ?   1263.56  144.907 0.000000 144.9073 
1 1 1    1    3   36 o  374.501  131.667   2.2503   1.9143   0.0000   0.0000   2.2503   1.9143  ?   ?   374.501  131.667 0.000000 131.6665 
1 1 1    1    3   38 o  2028.16  168.678   75.197   10.615   0.0000   0.0000   75.197   10.615  ?   ?   2028.16  168.678 0.000000 168.6779 
1 1 1    1    3   40 o  613.771  114.546   6.4981   2.1205   4.9648   4.6155   6.9084   2.3873  529.589  201.364  627.737  125.836 -98.14801 237.4497 
1 1 1    1    3   42 o  1981.68   87.539   64.446   5.4319   69.891   9.9023   62.103   6.4965  1951.46  163.563  1919.41  108.538 32.05042 196.2993 
1 1 1    1    3   44 o  1050.90   91.388   18.468   2.9773   23.900   6.1105   16.777   3.4094  1100.98  183.721  985.537  112.496 115.4480 215.4268 
1 1 1    1    3   46 f  1849.07  121.824   60.437   7.0140   56.387   10.432   63.778   9.4754  1616.81  211.098  1807.46  169.398 -190.6515 270.6629 
1 1 1    1    3   48 o  3023.51  155.428  178.285   14.665  176.163   21.082  180.275   20.413  2567.00  266.153  2673.77  246.599 -106.7668 362.8339 
1 1 1    1    3   50 o  1462.02  118.760   40.283   5.3898   50.431   8.5864   33.685   6.9238  1454.13  193.373  1191.69  192.082 262.4431 272.5594 
1 1 1    1    3   52 o  1941.79  110.180   74.881   6.6716   79.125   12.311   73.116   7.9383  1259.27  313.450  1798.31  142.135 -539.0392 344.1707 
1 1 1    1    3   54 o  1261.91  119.687   36.145   4.6727   31.074   9.4214   37.799   5.3811  467.854  224.241  1209.30  145.001 -741.4466 267.0377 
1 1 1    1    3   56 o  2229.20  167.516  169.364   11.607  160.963   20.665  173.236   14.030  ?   ?   1575.01  295.330 0.000000 295.3304 
1 1 1    1    3   58 o  1202.38  153.657   51.329   5.6528   65.543   11.658   46.960   6.4635  ?   ?   794.112  239.786 0.000000 239.7857 
1 1 1    1    3   60 o  ?   ?   118.451   14.990   0.0000   0.0000  118.451   14.990  ?   ?   ?   ?  0.000000      ? 
1 1 1    1    4    5 o  229.248   78.834   0.7462   0.6844   0.0000   0.0000   0.7462   0.6844  ?   ?   229.248   78.834 0.000000 78.83402 
1 1 1    1    4    7 o  1242.13   70.659   24.260   2.7369   33.923   3.3614   5.2560   4.7140  1471.14   72.971  603.328  206.923 867.8145 219.4126 
1 1 1    1    4    9 o  6591.79  182.238  686.068   37.615  671.904   46.059  714.430   65.177  6508.67  226.001  6672.65  311.948 -163.9805 385.2110 
1 1 1    1    4   11 o  2506.88  115.292   98.826   9.0500   97.109   12.797  100.545   12.801  2473.72  166.170  2517.88  163.242 -44.15942 232.9385 
1 1 1    1    4   13 o  607.424   97.543   5.9456   1.7925   6.4002   2.5379   5.4932   2.5320  625.136  133.702  578.348  141.072 46.78760 194.3649 
1 1 1    1    4   15 o  3067.18  184.876  150.831   17.673   0.0000   0.0000  150.831   17.673  ?   ?   3067.18  184.876 0.000000 184.8761 
1 1 1    1    4   17 o  1040.12  138.008   17.464   4.3838   0.0000   0.0000   17.464   4.3838  ?   ?   1040.12  138.008 0.000000 138.0082 
1 1 1    1    4   21 o  1732.94  147.831   48.346   7.9450   48.346   7.9450   0.0000   0.0000  1732.94  147.831  ?   ?  0.000000 147.8309 
1 1 1    1    4   23 o  539.898  148.501   4.8392   2.5889   4.8392   2.5889   0.0000   0.0000  539.898  148.501  ?   ?  0.000000 148.5006 
1 1 1    1    4   27 o  205.629   77.952   0.4821   0.6904   0.0000   0.0000   0.4821   0.6904  ?   ?   205.629   77.952 0.000000 77.95181 
1 1 1    1    4   29 o  141.689   58.852   0.0755   0.4299   0.0000   0.0000   0.0755   0.4299  ?   ?   141.689   58.852 0.000000 58.85178 
1 1 1    1    4   31 o  267.261   96.963   0.9714   1.0468   0.0000   0.0000   0.9714   1.0468  ?   ?   267.261   96.963 0.000000 96.96281 
1 1 1    1    4   33 o  341.344  114.652   1.8425   1.4469   0.0000   0.0000   1.8425   1.4469  ?   ?   341.344  114.652 0.000000 114.6525 
1 1 1    1    4   35 o  1104.11   56.174   19.450   1.9357  103.071   4.5205   0.6753   2.1420  2544.35   56.740  314.642  131.084 2229.705 142.8371 
1 1 1    1    4   37 f  1840.32  105.943   56.512   6.0792   63.637   9.0175   50.575   8.2308  1890.94  153.626  1678.55  158.474 212.3866 220.7144 
1 1 1    1    4   39 o  2094.42  115.798   73.830   7.5647   75.645   11.101   72.256   10.336  2029.93  176.404  1999.52  166.602 30.41199 242.6405 
1 1 1    1    4   41 o  920.016  118.350   14.495   3.3304   13.388   5.7929   15.042   4.0703  799.513  222.983  917.586  146.598 -118.0731 266.8567 
1 1 1    1    4   43 o  1227.09  104.920   25.463   3.9926   35.515   6.7054   19.942   4.9696  1390.95  156.685  1038.91  157.724 352.0413 222.3217 
1 1 1    1    4   45 o  2152.08   84.730   76.577   5.7097   77.421   10.616   76.233   6.7726  2004.51  170.772  2122.22  101.917 -117.7078 198.8719 
1 1 1    1    4   47 o  1346.91   90.572   30.602   3.7977   28.460   7.7651   31.276   4.3540  1103.96  232.006  1346.47  104.077 -242.5112 254.2812 
1 1 1    1    4   49 o  437.474  144.731   3.8429   2.3073   11.226   5.7059   2.3997   2.5228  627.510  226.577  373.029  146.933 254.4812 270.0486 
1 1 1    1    4   51 o  725.096  148.567   11.600   3.2598   18.934   6.9733   9.5490   3.6875  659.225  248.251  598.245  181.221 60.98010 307.3589 
1 1 1    1    4   53 o  1038.13  164.776   28.755   5.1774   24.959   9.5206   30.349   6.1693  469.758  225.223  929.442  216.079 -459.6843 312.1146 
1 1 1    1    4   55 o  547.860  181.981   12.186   3.6465   16.412   8.5913   11.258   4.0272  347.909  174.977  467.888  185.216 -119.9792 254.7977 
1 1 1    1    4   57 o  995.925  201.198   44.357   6.0584   0.0000   0.0000   44.357   6.0584  ?   ?   995.925  201.198 0.000000 201.1979 
1 1 1    1    4   59 o  949.882  221.669   56.940   6.4728   0.0000   0.0000   56.940   6.4728  ?   ?   949.882  221.669 0.000000 221.6694 
1 1 1    1    5    0 o 13315.26  440.978  2877.13  183.858  2877.13  183.858   0.0000   0.0000 13315.26  440.978  ?   ?  0.000000 440.9775 
1 1 1    1    5    2 o  3554.05  113.096  198.243   12.586  208.484   15.417  177.782   21.792  3642.78  135.162  3349.45  208.825 293.3257 248.7500 
1 1 1    1    5    4 o  2694.29  118.862  113.979   10.028  113.979   10.028   0.0000   0.0000  2694.29  118.862  ?   ?  0.000000 118.8615 
1 1 1    1    5    6 o  2372.04   91.256   88.255   6.7780   88.274   8.2989   88.216   11.747  2371.19  111.773  2361.67  159.786 9.521240 194.9993 
1 1 1    1    5    8 o  1548.13   79.878   37.686   3.8590   35.934   4.7221   41.210   6.6958  1509.66  100.467  1613.11  133.770 -103.4524 167.2959 
1 1 1    1    5   10 o  1656.29  100.701   43.254   5.1978   44.649   7.3164   41.833   7.3858  1677.37  140.597  1622.20  146.999 55.16406 203.4116 
1 1 1    1    5   12 o  665.703   92.104   7.0955   1.8684   6.8734   2.5613   7.3481   2.7317  648.712  130.612  670.624  134.763 -21.91168 187.6716 
1 1 1    1    5   14 o  834.544  139.528   11.315   3.5174   0.0000   0.0000   11.315   3.5174  ?   ?   834.544  139.528 0.000000 139.5277 
1 1 1    1    5   16 o  4244.66  159.608  287.148   21.214  298.884   30.001  275.413   30.000  4288.67  224.187  4109.62  234.101 179.0483 324.1345 
1 1 1    1    5   18 o  1748.31  102.967   48.415   5.6120   46.677   7.9353   50.153   7.9377  1705.46  150.126  1769.81  144.496 -64.34839 208.3672 
1 1 1    1    5   22 o  2066.66  156.756   69.115   10.068   69.115   10.068   0.0000   0.0000  2066.66  156.756  ?   ?  0.000000 156.7559 
1 1 1    1    5   24 o  1709.60  150.076   47.737   7.9526   47.737   7.9526   0.0000   0.0000  1709.60  150.076  ?   ?  0.000000 150.0762 
1 1 1    1    5   26 o  1508.77  148.639   37.672   6.9310   37.672   6.9310   0.0000   0.0000  1508.77  148.639  ?   ?  0.000000 148.6391 
1 1 1    1    5   28 o  745.579  157.380   9.5817   3.5588   9.5817   3.5588   0.0000   0.0000  745.579  157.380  ?   ?  0.000000 157.3805 
1 1 1    1    5   30 o  253.369   71.734   1.0480   0.5948   9.6565   2.0995   0.2966   0.6203  771.313   88.534  183.590   72.684 587.7228 114.5475 
1 1 1    1    5   32 o  865.043   38.368   11.781   1.0393  225.363   4.6180   0.3872   1.0666  3783.13   38.984  231.514   94.052 3551.615 101.8116 
1 1 1    1    5   34 o  235.660   83.780   0.7891   0.7771   7.6072   3.7615   0.4851   0.7942  637.483  180.352  213.489   82.918 423.9940 198.5001 
1 1 1    1    5   36 o  323.810   95.233   1.7568   1.0299   18.519   4.0956   0.6253   1.0641  1036.74  128.947  243.618   95.597 793.1268 160.5190 
1 1 1    1    5   38 o  440.932  110.522   3.3559   1.5230   14.473   4.6051   1.9906   1.6138  886.034  172.188  353.107  121.073 532.9277 210.4930 
1 1 1    1    5   40 o  291.866  103.538   1.2646   1.1862   14.726   4.5915   0.3018   1.2279  893.813  170.273  238.582   99.311 655.2316 197.1180 
1 1 1    1    5   42 o  1642.37  100.463   44.967   5.1416   60.253   8.1590   34.898   6.6219  1847.60  142.120  1389.93  154.780 457.6711 210.1307 
1 1 1    1    5   44 o  1905.16  110.856   61.950   6.5845   71.470   10.061   54.817   8.7087  1949.84  166.378  1709.75  164.706 240.0930 234.1145 
1 1 1    1    5   46 f  1591.32  118.460   44.321   5.8603   41.553   9.0915   46.289   7.6653  1386.77  216.440  1563.47  158.779 -176.7043 268.4346 
1 1 1    1    5   48 o  2071.74  113.858   76.120   7.3577   98.774   11.658   61.121   9.4857  2209.56  169.795  1716.47  179.128 493.0928 246.8147 
1 1 1    1    5   50 o  1738.77  136.094   60.383   7.3505   57.202   11.846   62.375   9.3735  1216.61  310.045  1619.65  188.344 -403.0354 362.7691 
1 1 1    1    5   54 o  529.480  184.372   10.930   3.7493   0.0000   0.0000   10.930   3.7493  ?   ?   529.480  184.372 0.000000 184.3717 
1 1 1    1    5   56 o  607.120  224.947   25.929   5.6801   0.0000   0.0000   25.929   5.6801  ?   ?   607.120  224.947 0.000000 224.9470 
1 1 1    1    5   58 o  463.710  217.984   48.150   8.0920   0.0000   0.0000   48.150   8.0920  ?   ?   463.710  217.984 0.000000 217.9837 
1 1 1    1    5   60 o  278.863  132.587   7.4193   3.1569   14.347   9.8227   6.6213   3.3338  ?   ?   259.265  126.418 0.000000 126.4181 
1 1 1    1    6    1 o  992.190   64.870   15.492   2.0043   14.989   2.8362   15.994   2.8327  973.024   94.272  1005.75   90.933 -32.72754 130.9807 
1 1 1    1    6    3 o  4001.71  106.382  251.345   13.330  250.500   18.851  252.189   18.852  3989.92  150.887  4003.42  150.387 -13.49805 213.0325 
1 1 1    1    6    5 o  2147.08   87.425   72.310   5.8777   67.584   10.165   74.684   7.2040  2065.36  158.388  2181.11  105.483 -115.7561 190.2983 
1 1 1    1    6    7 o  2847.12   99.909  127.277   8.9069  129.049   15.414  126.389   10.913  2853.52  173.333  2835.07  122.936 18.45215 212.5031 
1 1 1    1    6    9 o  2520.71  116.385   99.957   9.1862  103.170   12.967   96.719   13.016  2549.96  163.260  2467.33  169.497 82.63330 235.3363 
1 1 1    1    6   11 o  5270.79  152.197  439.534   25.119  437.088   30.752  444.439   43.541  5242.02  187.353  5237.96  266.351 4.063477 325.6440 
1 1 1    1    6   13 o  4793.59  145.335  364.087   21.815  366.630   26.704  358.986   37.820  4796.14  177.818  4693.71  258.325 102.4292 313.6093 
1 1 1    1    6   15 o  4935.11  179.176  389.572   27.688  387.716   39.152  391.429   39.162  4862.38  258.074  4886.71  256.835 -24.33301 364.0972 
1 1 1    1    6   17 o  1640.00   82.688   42.428   4.2326   44.421   5.1600   38.330   7.3999  1675.51   98.789  1543.61  155.202 131.9028 183.9758 
1 1 1    1    6   19 o  4141.91  157.672  274.309   20.449  278.439   28.910  270.174   28.928  4123.55  224.754  4058.71  228.553 64.84302 320.5477 
1 1 1    1    6   21 o  1889.66  148.583   57.547   8.7207   57.547   8.7207   0.0000   0.0000  1889.66  148.583  ?   ?  0.000000 148.5827 
1 1 1    1    6   23 o  821.647  149.985   11.227   3.7166   11.227   3.7166   0.0000   0.0000  821.647  149.985  ?   ?  0.000000 149.9847 
1 1 1    1    6   25 o  852.470  153.746   12.229   3.9529   12.229   3.9529   0.0000   0.0000  852.470  153.746  ?   ?  0.000000 153.7460 
1 1 1    1    6   27 f  759.869  160.312   9.9284   3.6944   9.9284   3.6944   0.0000   0.0000  759.869  160.312  ?   ?  0.000000 160.3124 
1 1 1    1    6   29 o  2311.26  170.973   90.992   12.286   90.992   12.286   0.0000   0.0000  2311.26  170.973  ?   ?  0.000000 170.9732 
1 1 1    1    6   31 o  441.704  157.290   3.0121   2.7401   3.0121   2.7401   0.0000   0.0000  441.704  157.290  ?   ?  0.000000 157.2896 
1 1 1    1    6   33 o  511.332  192.364   4.1761   4.1850   4.1761   4.1850   0.0000   0.0000  511.332  192.364  ?   ?  0.000000 192.3643 
1 1 1    1    6   35 o  237.857   73.033   0.9125   0.5962   31.383   4.1381   0.2666   0.6025  1381.30   96.277  178.421   71.314 1202.883 119.8122 
1 1 1    1    6   37 o  179.264   62.909   0.4560   0.4369   61.780   4.5000  -0.1275   0.4390  1960.46   73.306  127.302   56.203 1833.159 92.37154 
1 1 1    1    6   39 o  597.391   57.063   5.7265   1.0544  135.566   5.2198   0.2028   1.0766  2919.08   57.107  221.242   92.617 2697.839 108.8081 
1 1 1    1    6   41 o  630.412   70.467   6.4646   1.3672   85.131   5.3495   0.9669   1.4142  2297.06   74.374  285.572  110.719 2011.486 133.3798 
1 1 1    1    6   43 o  635.515   79.350   6.6681   1.5446   94.980   6.3736   1.1576   1.5921  2408.09   84.526  303.300  117.509 2104.791 144.7518 
1 1 1    1    6   45 o  261.401   98.340   0.9161   1.0937   54.438   6.3854  -0.7015   1.1101  1776.57  115.412  183.613   84.376 1592.953 142.9656 
1 1 1    1    6   47 o  1233.85  152.423   28.857   5.7636   0.0000   0.0000   28.857   5.7636  ?   ?   1233.85  152.423 0.000000 152.4234 
1 1 1    1    6   49 o  2047.06  202.359   98.167   12.801   0.0000   0.0000   98.167   12.801  ?   ?   2047.06  202.359 0.000000 202.3589 
1 1 1    1    6   53 o  1163.79  158.199   35.124   5.6156   31.121   10.159   36.885   6.7388  499.389  237.557  1035.19  214.926 -535.8041 320.3535 
1 1 1    1    6   55 o  523.981  167.785   9.7605   3.1142   24.313   9.1794   7.8677   3.3106  382.641  190.738  427.099  168.290 -44.45792 254.3666 
1 1 1    1    6   57 o  623.720  205.414   22.043   4.6497   20.367   10.273   22.475   5.2143  ?   ?   524.526  209.747 0.000000 209.7470 
1 1 1    1    6   59 o  400.691  193.675   41.818   7.3899   0.0000   0.0000   41.818   7.3899  ?   ?   400.691  193.675 0.000000 193.6752 
1 1 1    1    7    0 o  3187.32  130.837  159.736   13.058  159.523   18.466  159.948   18.467  3172.83  186.691  3177.13  186.449 -4.298584 263.8499 
1 1 1    1    7    2 f  1010.61   75.880   16.104   2.3837   14.450   4.1185   16.938   2.9230  947.685  143.262  1035.02   91.120 -87.33105 169.7850 
1 1 1    1    7    4 o  1993.77   85.172   62.366   5.3173   58.711   9.1885   64.207   6.5199  1923.89  153.814  2019.34  103.460 -95.45837 185.3720 
1 1 1    1    7    6 o  1333.47   67.132   27.950   2.7940   29.397   3.9637   26.521   3.9392  1365.17   93.283  1295.85   97.801 69.32007 135.1546 
1 1 1    1    7    8 o  2087.32   87.390   68.419   5.7117   66.391   9.9161   69.426   6.9873  2043.65  156.142  2098.40  106.693 -54.75830 189.1126 
1 1 1    1    7   10 o  1480.06   69.490   34.375   3.2205   34.331   4.5607   34.419   4.5482  1474.04   99.392  1475.99   98.982 -1.945435 140.2720 
1 1 1    1    7   12 o  1904.86   72.652   56.980   4.3334   54.508   6.1241   59.460   6.1326  1856.99  105.759  1940.51  101.279 -83.52124 146.4327 
1 1 1    1    7   14 o  1043.73   57.377   17.143   1.8680   23.056   2.6429   11.241   2.6406  1209.59   70.079  838.355  102.739 371.2311 124.3644 
1 1 1    1    7   16 o  2128.15   34.067   70.966   2.2701  210.757   3.8994  -0.7004   2.7920  3667.50   33.956  324.298  142.514 3343.206 146.5029 
1 1 1    1    7   18 o  1103.57   43.697   19.097   1.5100   57.069   2.6533   0.9083   1.8364  1907.68   44.418  317.842  125.307 1589.841 132.9471 
1 1 1    1    7   20 o  1051.62  143.158   17.974   4.5915   17.974   4.5915   0.0000   0.0000  1051.62  143.158  ?   ?  0.000000 143.1579 
1 1 1    1    7   22 o  2305.56  164.684   86.703   11.811   86.703   11.811   0.0000   0.0000  2305.56  164.684  ?   ?  0.000000 164.6840 
1 1 1    1    7   24 o  1683.78   98.082   45.320   5.1488   45.320   5.1488   0.0000   0.0000  1683.78   98.082  ?   ?  0.000000 98.08157 
1 1 1    1    7   26 o  1637.57   94.644   42.984   4.8323   42.984   4.8323   0.0000   0.0000  1637.57   94.644  ?   ?  0.000000 94.64402 
1 1 1    1    7   28 o  1227.36  152.123   25.323   5.7211   25.323   5.7211   0.0000   0.0000  1227.36  152.123  ?   ?  0.000000 152.1227 
1 1 1    1    7   30 o  1472.78  153.183   36.742   6.9609   36.742   6.9609   0.0000   0.0000  1472.78  153.183  ?   ?  0.000000 153.1831 
1 1 1    1    7   32 o  1994.09  166.185   69.286   10.282   69.286   10.282   0.0000   0.0000  1994.09  166.185  ?   ?  0.000000 166.1850 
1 1 1    1    7   34 f  2491.46  191.907  114.002   14.856  114.002   14.856   0.0000   0.0000  2491.46  191.907  ?   ?  0.000000 191.9074 
1 1 1    1    7   36 f  1334.72  181.614   32.499   7.3932   32.499   7.3932   0.0000   0.0000  1334.72  181.614  ?   ?  0.000000 181.6143 
1 1 1    1    7   38 o  1801.54  178.873   58.583   9.9569   58.583   9.9569   0.0000   0.0000  1801.54  178.873  ?   ?  0.000000 178.8726 
1 1 1    1    7   40 o  711.726  238.204   10.539   6.2452   10.539   6.2452   0.0000   0.0000  711.726  238.204  ?   ?  0.000000 238.2043 
1 1 1    1    7   42 o  221.079   84.186   0.5851   0.8075   0.0000   0.0000   0.5851   0.8075  ?   ?   221.079   84.186 0.000000 84.18617 
1 1 1    1    7   44 o   67.977   31.857  -0.1744   0.1706   0.0000   0.0000  -0.1744   0.1706  ?   ?    67.977   31.857 0.000000 31.85691 
1 1 1    1    7   46 o  219.303   86.446   0.5065   0.8738   0.0000   0.0000   0.5065   0.8738  ?   ?   219.303   86.446 0.000000 86.44579 
1 1 1    1    7   48 o  487.337   92.782   4.1476   1.3641  110.682   7.7746   0.7638   1.3856  2537.19   97.861  265.672  107.455 2271.520 145.3385 
1 1 1    1    7   50 o  1412.78  305.066   75.312   13.100   75.312   13.100   0.0000   0.0000  1412.78  305.066  ?   ?  0.000000 305.0661 
1 1 1    1    7   52 o  2360.28  139.559  126.067   10.268  158.471   15.945  103.106   13.422  2029.86  256.594  1516.78  293.217 513.0824 389.6368 
1 1 1    1    7   54 o  628.321  159.934   11.339   3.1546   23.052   8.7920   9.6082   3.3797  430.197  208.746  521.176  175.228 -90.97864 272.5430 
1 1 1    1    7   56 o  791.462  187.822   23.859   4.5848   32.193   10.704   21.986   5.0739  352.104  178.995  615.638  214.474 -263.5336 279.3530 
1 1 1    1    7   58 o  655.267  224.071   31.994   5.5273   29.206   11.286   32.873   6.3396  ?   ?   500.605  217.462 0.000000 217.4623 
1 1 1    1    8    1 o  4565.37  135.970  328.316   19.437  334.149   33.666  325.399   23.806  4572.07  235.967  4537.88  167.538 34.18555 289.3945 
1 1 1    1    8    3 o  4931.79  144.322  383.574   22.287  385.324   38.605  382.699   27.295  4900.61  252.437  4917.13  177.279 -16.51318 308.4676 
1 1 1    1    8    5 o  257.726   82.600   1.0156   0.7546   1.1386   1.1073   0.9089   1.0312  286.355  100.167  265.560   96.255 20.79504 138.9189 
1 1 1    1    8    7 o  3595.18   99.356  203.240   11.185  200.036   15.817  206.444   15.819  3558.75  141.943  3615.79  139.717 -57.04175 199.1701 
1 1 1    1    8    9 o  4485.74  133.883  317.888   18.805  313.788   32.583  319.936   23.027  4408.92  236.888  4490.16  163.780 -81.24658 287.9926 
1 1 1    1    8   11 o  1423.25   81.016   31.935   3.5956   30.811   4.4258   34.116   6.1664  1395.04  102.027  1462.29  136.240 -67.25208 170.2087 
1 1 1    1    8   13 o  364.543   93.977   2.1707   1.0795   2.4864   1.3547   1.6215   1.7869  391.056  107.364  350.970  126.785 40.08588 166.1368 
1 1 1    1    8   15 o  2779.58  101.880  121.813   8.8672  119.788   10.871  125.840   15.329  2751.24  126.185  2800.74  175.680 -49.50269 216.3011 
1 1 1    1    8   17 o  2297.00   95.145   83.193   6.8433   74.149   11.885   87.679   8.3702  2142.65  178.774  2354.60  113.527 -211.9529 211.7747 
1 1 1    1    8   19 o  2104.63   89.645   69.892   5.9077   71.817   7.2049   65.943   10.320  2126.90  108.545  2019.63  164.628 107.2683 197.1918 
1 1 1    1    8   21 o  625.200  116.210   6.4177   2.1912   3.8553   3.0847   9.0276   3.1132  499.697  167.411  738.637  139.724 -238.9406 218.0574 
1 1 1    1    8   23 o  579.301  112.398   5.5418   1.9653   5.5418   1.9653   0.0000   0.0000  579.301  112.398  ?   ?  0.000000 112.3979 
1 1 1    1    8   25 o  1216.23   97.601   23.771   3.6857   23.771   3.6857   0.0000   0.0000  1216.23   97.601  ?   ?  0.000000 97.60089 
1 1 1    1    8   27 o  1322.74   97.169   28.159   3.9964   28.159   3.9964   0.0000   0.0000  1322.74   97.169  ?   ?  0.000000 97.16933 
1 1 1    1    8   29 o  1555.60  101.983   39.160   4.9401   39.160   4.9401   0.0000   0.0000  1555.60  101.983  ?   ?  0.000000 101.9828 
1 1 1    1    8   31 o  411.812  111.363   2.8651   1.4705   2.8651   1.4705   0.0000   0.0000  411.812  111.363  ?   ?  0.000000 111.3633 
1 1 1    1    8   33 o  868.726  201.676   14.241   5.3805   14.241   5.3805   0.0000   0.0000  868.726  201.676  ?   ?  0.000000 201.6755 
1 1 1    1    8   35 o  719.148  234.408   10.334   6.0607   10.334   6.0607   0.0000   0.0000  719.148  234.408  ?   ?  0.000000 234.4084 
1 1 1    1    8   37 f  1501.86  194.320   41.287   8.9240   41.287   8.9240   0.0000   0.0000  1501.86  194.320  ?   ?  0.000000 194.3198 
1 1 1    1    8   43 o  2233.33  210.432   99.177   14.542   99.177   14.542   0.0000   0.0000  2233.33  210.432  ?   ?  0.000000 210.4324 
1 1 1    1    8   45 o  3045.78  257.564  211.358   24.334  211.358   24.334   0.0000   0.0000  3045.78  257.564  ?   ?  0.000000 257.5636 
1 1 1    1    8   47 o  1061.33  281.915   30.991   9.5273   30.991   9.5273   0.0000   0.0000  1061.33  281.915  ?   ?  0.000000 281.9146 
1 1 1    1    8   49 o  1071.53  300.323   41.422   10.481   41.422   10.481   0.0000   0.0000  1071.53  300.323  ?   ?  0.000000 300.3231 
1 1 1    1    8   51 o  239.026   92.732   0.8573   0.9925   22.993   8.3061   0.5367   0.9997  628.407  259.657  220.026   90.406 408.3802 274.9459 
1 1 1    1    8   53 f  219.474   90.047   0.6496   0.9899   16.088   8.5705   0.4408   0.9966  422.066  205.099  208.442   88.280 213.6238 223.2910 
1 1 1    1    8   55 o  172.846   76.387   0.0979   0.8129   11.562   8.8779   0.0010   0.8163  330.400  167.455  168.447   75.362 161.9531 183.6322 
1 1 1    1    8   57 o  ?   ?   -2.6861   0.3278   22.945   9.4640  -2.7169   0.3280  ?   ?   ?   ?  0.000000      ? 
1 1 1    1    8   59 o  444.678  183.210   17.130   4.1193   22.941   10.888   16.159   4.4500  ?   ?   377.953  171.870 0.000000 171.8702 
1 1 1    1    9    0 o  6222.62  151.214  611.933   29.463  626.519   41.667  597.347   41.668  6268.01  212.300  6117.57  217.522 150.4434 303.9529 
1 1 1    1    9    2 o  1080.05   67.494   18.369   2.2711   19.576   3.2087   17.158   3.2150  1112.32   92.979  1039.94   99.964 72.38818 136.5209 
1 1 1    1    9    4 o  2452.06   93.710   94.503   7.1950   91.583   12.468   95.962   8.8101  2398.10  167.079  2468.59  113.977 -70.48828 202.2528 
1 1 1    1    9    6 o  1097.74   96.145   19.094   3.2715   20.140   4.6979   18.109   4.5584  1121.07  136.658  1061.43  140.613 59.63989 196.0800 
1 1 1    1    9    8 f  1105.89   97.677   19.391   3.3476   17.523   4.7977   21.164   4.6732  1041.19  151.609  1150.05  132.176 -108.8585 201.1367 
1 1 1    1    9   10 o  3012.14  127.781  143.340   12.052  143.340   12.052   0.0000   0.0000  3012.14  127.781  ?   ?  0.000000 127.7810 
1 1 1    1    9   12 o  2122.50   77.866   70.786   5.1750   74.656   7.3269   66.935   7.3103  2176.20  107.524  2056.65  113.962 119.5503 156.6806 
1 1 1    1    9   14 f  1502.12   80.687   35.579   3.7813   35.067   4.6490   36.580   6.4996  1488.35  100.340  1512.84  138.752 -24.49597 171.2318 
1 1 1    1    9   16 o  486.109   98.521   3.8602   1.4483   2.9462   2.6065   4.2683   1.7419  448.585  153.865  509.900  112.149 -61.31467 190.3990 
1 1 1    1    9   18 o  511.959   93.615   4.2652   1.4454   4.6140   1.7130   3.4028   2.6933  530.713  106.779  471.552  156.387 59.16006 189.3637 
1 1 1    1    9   20 o  1298.59   83.622   26.744   3.3822   28.297   5.9743   26.011   4.1030  1318.86  147.176  1276.25  103.563 42.61157 179.9613 
1 1 1    1    9   22 o  1239.01   82.887   24.410   3.1971   23.812   5.6213   24.697   3.8871  1201.93  152.818  1241.74  100.842 -39.81592 183.0916 
1 1 1    1    9   24 o  1766.63  104.469   50.082   5.7533   50.082   5.7533   0.0000   0.0000  1766.63  104.469  ?   ?  0.000000 104.4689 
1 1 1    1    9   26 o  736.409  107.687   8.8778   2.4097   8.8778   2.4097   0.0000   0.0000  736.409  107.687  ?   ?  0.000000 107.6871 
1 1 1    1    9   28 o  2122.41  116.817   73.238   7.7335   73.238   7.7335   0.0000   0.0000  2122.41  116.817  ?   ?  0.000000 116.8169 
1 1 1    1    9   30 o  964.180  107.579   15.260   3.1925   15.260   3.1925   0.0000   0.0000  964.180  107.579  ?   ?  0.000000 107.5792 
1 1 1    1    9   32 o  1160.45   95.714   21.955   3.4469   21.955   3.4469   0.0000   0.0000  1160.45   95.714  ?   ?  0.000000 95.71400 
1 1 1    1    9   34 o  2529.55  179.818  113.471   14.150  113.471   14.150   0.0000   0.0000  2529.55  179.818  ?   ?  0.000000 179.8177 
1 1 1    1    9   40 o  1925.48  198.217   69.076   11.780   69.076   11.780   0.0000   0.0000  1925.48  198.217  ?   ?  0.000000 198.2165 
1 1 1    1    9   42 o  1489.94  209.125   43.227   9.4877   43.227   9.4877   0.0000   0.0000  1489.94  209.125  ?   ?  0.000000 209.1252 
1 1 1    1    9   44 o  778.204  267.062   14.656   7.8528   14.656   7.8528   0.0000   0.0000  778.204  267.062  ?   ?  0.000000 267.0624 
1 1 1    1    9   46 o  1065.51  273.878   28.697   9.1877   28.697   9.1877   0.0000   0.0000  1065.51  273.878  ?   ?  0.000000 273.8783 
1 1 1    1    9   48 o  1515.30  264.308   62.624   12.085   62.624   12.085   0.0000   0.0000  1515.30  264.308  ?   ?  0.000000 264.3077 
1 1 1    1    9   50 o  927.128  315.898   44.099   10.985   44.099   10.985   0.0000   0.0000  927.128  315.898  ?   ?  0.000000 315.8982 
1 1 1    1    9   52 o  ?   ?  -10.4299   7.9353 -10.4299   7.9353   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1    9   56 o  ?   ?   -0.5961   9.3254  -0.5961   9.3254   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1    9   58 o  ?   ?    32.427   11.943   32.427   11.943   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1   10    1 o  6435.85  180.529  658.499   36.381  665.148   44.553  645.195   63.023  6444.00  220.805  6259.88  322.626 184.1270 390.9501 
1 1 1    1   10    3 o  4490.62  134.644  318.487   18.933  324.985   23.188  305.490   32.792  4526.85  163.585  4350.10  241.695 176.7446 291.8501 
1 1 1    1   10    5 o  2517.59   95.058   99.679   7.4936   99.486   9.1821  100.064   12.967  2512.30  116.721  2505.67  166.220 6.633301 203.1081 
1 1 1    1   10    7 o  2107.39   88.332   69.810   5.8288   73.284   7.1440   62.890   10.081  2157.34  105.756  1984.14  163.727 173.2012 194.9122 
1 1 1    1   10    9 f  2070.25  108.843   67.714   7.0309   68.278   9.9600   67.155   9.9266  2069.37  154.833  2052.00  155.651 17.37256 219.5460 
1 1 1    1   10   11 o  707.321   87.464   7.9861   1.8959   5.8149   3.4785   8.9036   2.2612  598.352  174.743  745.512   99.339 -147.1600 201.0058 
1 1 1    1   10   13 f  1179.48   79.266   21.968   2.9105   25.557   5.2072   20.337   3.5099  1263.46  133.651  1131.68  100.081 131.7810 166.9697 
1 1 1    1   10   15 o  748.004   68.037   8.8628   1.5761   9.6217   2.2289   8.1038   2.2291  775.817   93.645  709.287  103.410 66.52966 139.5093 
1 1 1    1   10   17 o  1672.26   70.852   43.997   3.7100   40.304   5.2276   47.744   5.2661  1592.45  105.435  1735.61   97.290 -143.1613 143.4644 
1 1 1    1   10   19 o  1676.58   74.362   44.315   3.9038   46.560   5.5010   42.036   5.5409  1710.08  103.216  1622.80  109.688 87.28320 150.6153 
1 1 1    1   10   21 o  1939.84   86.480   59.608   5.2529   61.708   6.3968   55.260   9.2045  1965.92  104.289  1835.03  161.850 130.8877 192.5401 
1 1 1    1   10   23 o  1888.82  111.809   57.325   6.5833   0.0000   0.0000   57.325   6.5833  ?   ?   1888.82  111.809 0.000000 111.8088 
1 1 1    1   10   25 o  2460.40  121.169   97.648   9.3349   93.971   13.476  101.040   12.944  2363.49  183.527  2464.23  168.764 -100.7397 249.3259 
1 1 1    1   10   27 o  903.511  196.121   14.398   5.3893   14.398   5.3893   0.0000   0.0000  903.511  196.121  ?   ?  0.000000 196.1208 
1 1 1    1   10   31 o  1146.36  140.005   22.229   4.9211   22.229   4.9211   0.0000   0.0000  1146.36  140.005  ?   ?  0.000000 140.0046 
1 1 1    1   10   33 o  1432.15  144.485   34.805   6.3908   34.805   6.3908   0.0000   0.0000  1432.15  144.485  ?   ?  0.000000 144.4849 
1 1 1    1   10   35 o  1439.30  102.408   33.774   4.5852   33.774   4.5852   0.0000   0.0000  1439.30  102.408  ?   ?  0.000000 102.4081 
1 1 1    1   10   37 o  942.211  109.590   14.679   3.1728   14.679   3.1728   0.0000   0.0000  942.211  109.590  ?   ?  0.000000 109.5904 
1 1 1    1   10   39 o  1614.45  200.277   48.022   9.9070   48.022   9.9070   0.0000   0.0000  1614.45  200.277  ?   ?  0.000000 200.2770 
1 1 1    1   10   41 o  2324.06  206.805  102.378   14.892  102.378   14.892   0.0000   0.0000  2324.06  206.805  ?   ?  0.000000 206.8052 
1 1 1    1   10   43 o  2896.10  229.502  169.387   20.642  169.387   20.642   0.0000   0.0000  2896.10  229.502  ?   ?  0.000000 229.5019 
1 1 1    1   10   45 o  1334.74  245.457   39.111   9.8806   39.111   9.8806   0.0000   0.0000  1334.74  245.457  ?   ?  0.000000 245.4572 
1 1 1    1   10   47 o  740.993  278.817   17.742   8.7927   17.742   8.7927   0.0000   0.0000  740.993  278.817  ?   ?  0.000000 278.8173 
1 1 1    1   10   49 o  518.090  237.083   10.585   8.6395   10.585   8.6395   0.0000   0.0000  518.090  237.083  ?   ?  0.000000 237.0826 
1 1 1    1   10   51 o  408.664  200.916   6.3634   8.9608   6.3634   8.9608   0.0000   0.0000  408.664  200.916  ?   ?  0.000000 200.9161 
1 1 1    1   10   55 o  ?   ?   -0.2041   9.5548  -0.2041   9.5548   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1   10   57 o  ?   ?    42.951   12.444   42.951   12.444   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1   11    0 o  4843.79  175.333  372.694   26.593  372.694   26.593   0.0000   0.0000  4843.79  175.333  ?   ?  0.000000 175.3334 
1 1 1    1   11    2 o  5477.24  157.610  475.277   27.031  481.750   33.105  462.330   46.822  5498.66  192.275  5327.27  281.689 171.3853 341.0549 
1 1 1    1   11    4 o  2877.22   87.920  130.099   7.9209  134.794   11.204  125.407   11.200  2923.51  122.387  2819.11  126.881 104.3997 176.2872 
1 1 1    1   11    6 o  3496.99   98.388  192.402   10.773  198.198   15.234  186.602   15.238  3541.04  137.392  3434.86  141.676 106.1797 197.3545 
1 1 1    1   11    8 o  1498.09   82.108   35.370   3.8369   34.453   4.6972   37.207   6.6516  1475.80  102.277  1527.18  140.678 -51.37915 173.9279 
1 1 1    1   11   10 o  2567.24   83.919  103.616   6.7459   99.650   9.5379  107.585   9.5425  2511.98  121.261  2610.89  116.723 -98.91406 168.3105 
1 1 1    1   11   12 o  1617.05   72.719   41.084   3.6821   41.527   5.2260   40.648   5.1886  1619.55  103.595  1602.18  103.986 17.37183 146.7825 
1 1 1    1   11   14 o  2144.20   90.757   72.459   6.0934   66.179   10.603   75.556   7.4457  2026.34  168.643  2186.39  108.758 -160.0552 200.6712 
1 1 1    1   11   16 o  1236.27   80.873   24.186   3.1134   27.328   5.5899   22.774   3.7486  1301.56  139.323  1195.81  101.059 105.7480 172.1159 
1 1 1    1   11   18 o  951.669   83.959   14.412   2.4763   15.944   4.4436   13.722   2.9822  985.605  148.601  924.182  104.914 61.42316 181.9042 
1 1 1    1   11   20 o  849.781   70.042   11.465   1.8471   11.609   2.5439   11.304   2.6864  849.748   97.364  836.620  104.850 13.12720 143.0845 
1 1 1    1   11   22 o  2250.17   79.711   80.128   5.6163   83.307   7.9775   77.003   7.9083  2282.69  111.610  2190.09  115.731 92.59253 160.7809 
1 1 1    1   11   24 o  2045.79  162.864   69.208   10.346   0.0000   0.0000   69.208   10.346  ?   ?   2045.79  162.864 0.000000 162.8644 
1 1 1    1   11   26 o  2292.38  112.978   84.618   8.1096   81.375   11.443   87.890   11.494  2207.18  166.810  2299.36  160.653 -92.18726 231.5921 
1 1 1    1   11   28 o  1254.26  144.991   26.319   5.5894   0.0000   0.0000   26.319   5.5894  ?   ?   1254.26  144.991 0.000000 144.9913 
1 1 1    1   11   30 o  1728.35   87.405   48.007   4.7149   45.887   5.8963   51.768   7.8517  1675.19  113.069  1757.14  143.970 -81.94202 183.0630 
1 1 1    1   11   32 o  924.522  114.260   14.129   3.2373   14.129   3.2373   0.0000   0.0000  924.522  114.260  ?   ?  0.000000 114.2605 
1 1 1    1   11   34 o  1586.59  105.498   40.948   5.2113   40.948   5.2113   0.0000   0.0000  1586.59  105.498  ?   ?  0.000000 105.4978 
1 1 1    1   11   36 o  3524.52  134.892  206.169   14.887  206.169   14.887   0.0000   0.0000  3524.52  134.892  ?   ?  0.000000 134.8920 
1 1 1    1   11   38 o  2140.21  102.230   74.526   6.8510   74.526   6.8510   0.0000   0.0000  2140.21  102.230  ?   ?  0.000000 102.2305 
1 1 1    1   11   40 o  792.053  118.746   10.602   2.8543   10.602   2.8543   0.0000   0.0000  792.053  118.746  ?   ?  0.000000 118.7461 
1 1 1    1   11   42 o  2638.30  218.914  134.684   17.921  134.684   17.921   0.0000   0.0000  2638.30  218.914  ?   ?  0.000000 218.9139 
1 1 1    1   11   46 o  452.082  213.492  -1.2303   7.9248  -1.2303   7.9248   0.0000   0.0000  452.082  213.492  ?   ?  0.000000 213.4918 
1 1 1    1   11   48 o  973.657  308.970   35.950   10.579   35.950   10.579   0.0000   0.0000  973.657  308.970  ?   ?  0.000000 308.9702 
1 1 1    1   11   50 o  391.771  193.661   0.5738   8.7210   0.5738   8.7210   0.0000   0.0000  391.771  193.661  ?   ?  0.000000 193.6608 
1 1 1    1   11   52 o  384.186  192.098   6.3837   9.6288   6.3837   9.6288   0.0000   0.0000  384.186  192.098  ?   ?  0.000000 192.0981 
1 1 1    1   11   54 o  416.873  208.426   27.894   11.325   27.894   11.325   0.0000   0.0000  416.873  208.426  ?   ?  0.000000 208.4263 
1 1 1    1   11   56 o  ?   ?    15.645   11.017   15.645   11.017   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1   12    1 o  3951.15  106.511  245.787   13.177  245.623   18.636  245.952   18.635  3938.73  151.107  3941.40  150.998 -2.666016 213.6204 
1 1 1    1   12    3 o  2553.42   95.939  102.552   7.6707  107.289   9.4027   93.129   13.263  2609.07  115.094  2413.80  176.707 195.2620 210.8837 
1 1 1    1   12    5 o  3264.18  109.323  167.866   11.174  170.290   13.685  163.018   19.355  3282.70  133.135  3189.48  194.730 93.21558 235.8910 
1 1 1    1   12    7 o  1727.19   84.730   46.895   4.5824   49.781   5.6116   41.120   7.9390  1775.15  101.378  1601.35  160.490 173.8063 189.8274 
1 1 1    1   12    9 o  2018.59   87.879   64.101   5.5546   66.961   9.7061   62.709   6.7734  2047.90  152.455  1991.06  109.059 56.83801 187.4471 
1 1 1    1   12   11 o  248.605   94.269   0.6885   1.0098  -0.1177   1.4950   1.3649   1.3694  248.139  106.691  314.950  111.296 -66.81039 154.1746 
1 1 1    1   12   13 o  275.626   97.053   1.0509   1.0404   0.5518   1.4860   1.5308   1.4572  277.048  111.550  329.307  114.927 -52.25864 160.1612 
1 1 1    1   12   15 o  2019.50   76.514   64.244   4.8384   61.830   6.8399   66.661   6.8451  1971.50  111.254  2048.47  107.088 -76.96887 154.4191 
1 1 1    1   12   17 o  405.343  101.232   2.7066   1.2810   3.3397   1.8275   2.0949   1.7962  450.716  125.079  375.684  127.739 75.03165 178.7793 
1 1 1    1   12   19 o  643.779  105.224   6.7542   2.0478   12.102   4.3094   5.1942   2.3274  848.774  168.092  557.948  134.739 290.8260 215.4289 
1 1 1    1   12   21 o  943.919  107.548   14.376   3.1220   0.0000   0.0000   14.376   3.1220  ?   ?   943.919  107.548 0.000000 107.5476 
1 1 1    1   12   23 o  280.863  116.771   0.3341   1.6948   0.0000   0.0000   0.3341   1.6948  ?   ?   280.863  116.771 0.000000 116.7709 
1 1 1    1   12   25 f  498.171  112.966   4.1398   1.7216   8.6147   2.7571   1.2801   2.2041  720.208  126.895  351.620  137.695 368.5882 187.2492 
1 1 1    1   12   27 o  904.903  205.837   14.642   5.7008   14.642   5.7008   0.0000   0.0000  904.903  205.837  ?   ?  0.000000 205.8374 
1 1 1    1   12   29 o  1996.45  110.501   64.740   6.8809   64.740   6.8809   0.0000   0.0000  1996.45  110.501  ?   ?  0.000000 110.5011 
1 1 1    1   12   31 o  2251.30  122.336   82.968   8.5915   76.925   12.593   88.231   11.751  2100.40  193.654  2281.20  165.643 -180.8037 254.8319 
1 1 1    1   12   33 o  2004.77  114.433   65.412   7.1536   65.412   7.1536   0.0000   0.0000  2004.77  114.433  ?   ?  0.000000 114.4325 
1 1 1    1   12   35 o  2691.81  115.948  117.936   9.7730  117.936   9.7730   0.0000   0.0000  2691.81  115.948  ?   ?  0.000000 115.9484 
1 1 1    1   12   37 o  1784.51  112.352   52.138   6.2459   52.138   6.2459   0.0000   0.0000  1784.51  112.352  ?   ?  0.000000 112.3517 
1 1 1    1   12   39 o  842.821  129.526   12.050   3.3089   12.050   3.3089   0.0000   0.0000  842.821  129.526  ?   ?  0.000000 129.5260 
1 1 1    1   12   41 o  1247.14  119.304   26.032   4.6021   26.032   4.6021   0.0000   0.0000  1247.14  119.304  ?   ?  0.000000 119.3037 
1 1 1    1   12   43 o  457.632  129.261   3.6674   1.9338   3.6674   1.9338   0.0000   0.0000  457.632  129.261  ?   ?  0.000000 129.2610 
1 1 1    1   12   45 o  1548.33  246.520   53.180   11.551   53.180   11.551   0.0000   0.0000  1548.33  246.520  ?   ?  0.000000 246.5195 
1 1 1    1   12   47 o  775.299  292.169   22.110   9.6621   22.110   9.6621   0.0000   0.0000  775.299  292.169  ?   ?  0.000000 292.1689 
1 1 1    1   12   49 o  619.399  271.918   21.103   10.142   21.103   10.142   0.0000   0.0000  619.399  271.918  ?   ?  0.000000 271.9179 
1 1 1    1   12   51 o  392.246  195.364   3.2621   9.5473   3.2621   9.5473   0.0000   0.0000  392.246  195.364  ?   ?  0.000000 195.3637 
1 1 1    1   12   53 o  359.917  182.080   5.3167   10.178   5.3167   10.178   0.0000   0.0000  359.917  182.080  ?   ?  0.000000 182.0796 
1 1 1    1   12   55 o  377.372  191.221   25.749   11.534   25.749   11.534   0.0000   0.0000  377.372  191.221  ?   ?  0.000000 191.2205 
1 1 1    1   13    0 f  4516.67  117.299  321.793   16.589  331.527   23.459  312.056   23.463  4568.23  163.999  4430.00  169.146 138.2271 235.5972 
1 1 1    1   13    2 o  3913.15  105.737  241.238   12.956  257.075   18.327  225.417   18.318  4028.48  145.292  3769.18  155.204 259.2969 212.5987 
1 1 1    1   13    4 o  3185.51   93.356  159.681   9.3120  162.131   13.168  157.230   13.170  3201.92  131.336  3152.65  133.416 49.26929 187.2135 
1 1 1    1   13    6 o  1692.10   85.283   45.146   4.5041   46.359   5.5176   42.723   7.7979  1711.93  103.417  1632.72  154.359 79.21350 185.8006 
1 1 1    1   13    8 o  1596.85   84.378   40.232   4.2040   43.361   5.1580   34.042   7.2560  1655.43   99.977  1452.65  162.295 202.7751 190.6177 
1 1 1    1   13   10 f  574.324  103.530   5.3647   1.7933   4.6631   2.2316   6.6437   3.0132  531.721  134.066  633.079  153.573 -101.3585 203.8591 
1 1 1    1   13   12 o  2777.72  101.158  121.948   8.7984  128.129   10.781  109.623   15.224  2841.43  121.176  2597.43  188.463 244.0010 224.0583 
1 1 1    1   13   14 o  365.884  122.989   2.0006   1.6650   0.0000   0.0000   2.0006   1.6650  ?   ?   365.884  122.989 0.000000 122.9893 
1 1 1    1   13   16 o  1381.47   82.080   30.228   3.5346   27.029   5.9435   31.978   4.3965  1288.39  150.141  1417.24   99.706 -128.8450 180.2326 
1 1 1    1   13   18 o  1384.74   82.360   30.397   3.5550   27.873   5.8719   31.857   4.4666  1308.50  145.794  1413.26  101.613 -104.7628 177.7109 
1 1 1    1   13   20 o  1101.16   87.027   19.310   2.9762   22.171   4.8099   17.535   3.7887  1167.72  133.971  1041.41  118.283 126.3088 178.7147 
1 1 1    1   13   22 o  1235.53   78.060   24.235   3.0044   26.860   4.2736   21.670   4.2246  1293.55  106.455  1157.53  118.215 136.0210 159.0834 
1 1 1    1   13   24 o  1593.20   90.489   40.499   4.4956   40.113   8.2806   40.660   5.3532  1547.65  173.882  1590.05  108.163 -42.39392 204.7783 
1 1 1    1   13   26 o  1306.09  151.085   28.428   6.0649   0.0000   0.0000   28.428   6.0649  ?   ?   1306.09  151.085 0.000000 151.0852 
1 1 1    1   13   28 o  1082.32  119.711   19.207   3.9891   17.187   6.4405   20.464   5.0811  976.306  216.363  1103.54  151.006 -127.2371 263.8481 
1 1 1    1   13   30 o  1832.76   92.197   53.838   5.2741   52.972   6.5512   55.433   8.8911  1805.52  116.500  1820.24  157.548 -14.71924 195.9431 
1 1 1    1   13   32 o  1029.39  114.028   17.308   3.6137   17.308   3.6137   0.0000   0.0000  1029.39  114.028  ?   ?  0.000000 114.0282 
1 1 1    1   13   34 o  1503.21  124.677   37.036   5.8155   37.036   5.8155   0.0000   0.0000  1503.21  124.677  ?   ?  0.000000 124.6767 
1 1 1    1   13   36 o  1190.04  120.503   23.332   4.4284   23.332   4.4284   0.0000   0.0000  1190.04  120.503  ?   ?  0.000000 120.5027 
1 1 1    1   13   38 o  2671.03  129.731  118.066   10.850  118.066   10.850   0.0000   0.0000  2671.03  129.731  ?   ?  0.000000 129.7307 
1 1 1    1   13   40 o  2184.52  121.733   79.118   8.2938   79.118   8.2938   0.0000   0.0000  2184.52  121.733  ?   ?  0.000000 121.7329 
1 1 1    1   13   42 o  1640.14  116.167   44.843   5.9274   44.843   5.9274   0.0000   0.0000  1640.14  116.167  ?   ?  0.000000 116.1669 
1 1 1    1   13   44 o  1173.44  114.423   23.422   4.1508   23.422   4.1508   0.0000   0.0000  1173.44  114.423  ?   ?  0.000000 114.4228 
1 1 1    1   13   46 o  507.706  141.713   4.9271   2.3388   4.9271   2.3388   0.0000   0.0000  507.706  141.713  ?   ?  0.000000 141.7129 
1 1 1    1   13   48 o  482.801  229.472   5.7890   9.4406   5.7890   9.4406   0.0000   0.0000  482.801  229.472  ?   ?  0.000000 229.4721 
1 1 1    1   13   50 o  601.406  269.159   23.938   10.422   23.938   10.422   0.0000   0.0000  601.406  269.159  ?   ?  0.000000 269.1585 
1 1 1    1   13   52 o  731.916  316.410   58.429   13.292   58.429   13.292   0.0000   0.0000  731.916  316.410  ?   ?  0.000000 316.4103 
1 1 1    1   13   54 o  ?   ?    4.3065   10.918   4.3065   10.918   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1   14    1 o  1044.48   72.237   17.221   2.3480   17.910   3.3585   16.562   3.2839  1061.01  102.362  1019.61  104.328 41.39435 146.1582 
1 1 1    1   14    3 o  1158.22   71.649   21.157   2.5857   21.439   3.6822   20.883   3.6319  1161.58  102.280  1146.32  102.256 15.26404 144.6292 
1 1 1    1   14    5 o  2057.14   88.840   66.640   5.7226   72.492   7.0222   55.068   9.8739  2143.18  104.640  1847.76  172.658 295.4188 201.8916 
1 1 1    1   14    7 o  1894.28   87.328   56.522   5.1798   62.629   9.2296   53.714   6.2583  1976.93  150.222  1840.38  109.088 136.5507 185.6525 
1 1 1    1   14    9 o  1648.11   73.773   42.729   3.8072   46.442   5.4738   39.250   5.2988  1711.45  102.616  1571.68  108.332 139.7709 149.2177 
1 1 1    1   14   11 o  657.785   95.692   6.9734   1.9132   7.1469   3.2677   6.8829   2.3599  654.781  160.597  648.445  120.669 6.336914 200.8790 
1 1 1    1   14   13 o  556.964  169.062   5.0484   3.2069   0.0000   0.0000   5.0484   3.2069  ?   ?   556.964  169.062 0.000000 169.0621 
1 1 1    1   14   15 o  1147.57  103.402   21.034   3.6757   22.702   5.0268   19.117   5.3884  1183.76  138.218  1077.05  165.033 106.7040 215.2680 
1 1 1    1   14   17 o  1025.75   86.927   16.743   2.7657   17.009   3.3494   16.173   4.9035  1030.10  105.323  988.062  164.257 42.03619 195.1233 
1 1 1    1   14   19 o  1913.96   90.803   58.004   5.4419   58.574   9.7560   57.746   6.5567  1892.05  166.363  1901.51  110.599 -9.458130 199.7722 
1 1 1    1   14   21 o  947.527   81.285   14.303   2.3883   13.385   3.1758   15.498   3.6236  908.714  114.129  976.828  121.062 -68.11304 166.3776 
1 1 1    1   14   23 o  743.245   91.365   8.9077   2.0815   8.5036   2.7062   9.4931   3.2573  717.123  125.065  753.182  143.352 -36.05933 190.2400 
1 1 1    1   14   25 o  929.393  128.309   14.225   3.6344   14.112   5.8598   14.296   4.6332  891.830  212.805  916.736  167.583 -24.90527 270.8688 
1 1 1    1   14   27 o  905.489  166.812   13.978   4.5554   0.0000   0.0000   13.978   4.5554  ?   ?   905.489  166.812 0.000000 166.8124 
1 1 1    1   14   29 o  1233.63  118.482   24.750   4.5204   24.050   7.1660   25.214   5.8258  1176.35  201.813  1229.55  154.746 -53.20081 254.3125 
1 1 1    1   14   31 f  1329.01  120.304   28.727   4.9521   26.413   7.9754   30.179   6.3176  1225.64  215.688  1347.70  152.383 -122.0571 264.0871 
1 1 1    1   14   33 o  328.764  139.105   0.2909   2.4706  -2.2839   5.5041   0.9405   2.7648  421.739  191.535  366.954  150.514 54.78476 243.5986 
1 1 1    1   14   35 o  1283.95  120.013   26.995   4.7690   28.906   7.8627   25.883   5.9983  1280.32  202.890  1237.40  158.450 42.92627 257.4312 
1 1 1    1   14   37 o  2036.24  120.061   67.913   7.6212   67.913   7.6212   0.0000   0.0000  2036.24  120.061  ?   ?  0.000000 120.0608 
1 1 1    1   14   39 o  1727.10  122.076   49.225   6.5593   49.225   6.5593   0.0000   0.0000  1727.10  122.076  ?   ?  0.000000 122.0758 
1 1 1    1   14   41 o  3300.64  141.105  183.983   14.583  183.983   14.583   0.0000   0.0000  3300.64  141.105  ?   ?  0.000000 141.1053 
1 1 1    1   14   43 o  436.577  145.596   3.2669   2.3333   3.2669   2.3333   0.0000   0.0000  436.577  145.596  ?   ?  0.000000 145.5958 
1 1 1    1   14   45 o  864.824  133.760   13.512   3.5053   13.512   3.5053   0.0000   0.0000  864.824  133.760  ?   ?  0.000000 133.7601 
1 1 1    1   14   47 o  358.448  132.911   2.2207   1.9837   2.2207   1.9837   0.0000   0.0000  358.448  132.911  ?   ?  0.000000 132.9105 
1 1 1    1   14   49 o  408.340  137.155   3.4127   2.0706   3.4127   2.0706   0.0000   0.0000  408.340  137.155  ?   ?  0.000000 137.1552 
1 1 1    1   15    0 o  1865.91   75.203   54.751   4.3938   57.916   6.2306   51.619   6.1971  1912.41  104.443  1803.93  110.241 108.4796 151.8594 
1 1 1    1   15    2 o  1489.51   83.852   35.038   3.8950   38.101   4.8421   29.424   6.5560  1550.67  100.261  1348.91  158.223 201.7598 187.3148 
1 1 1    1   15    4 o  1214.78   73.888   23.292   2.7972   24.647   4.0814   22.092   3.8412  1244.63  105.725  1177.97  105.246 66.65979 149.1792 
1 1 1    1   15    6 o  997.816  106.682   15.914   3.2815   0.0000   0.0000   15.914   3.2815  ?   ?   997.816  106.682 0.000000 106.6824 
1 1 1    1   15    8 o  2398.40   95.006   90.798   7.1349   99.942   12.341   86.207   8.7445  2493.45  158.895  2328.29  120.356 165.1602 199.3314 
1 1 1    1   15   10 o  719.673   95.239   8.3180   2.0935   8.1880   3.6093   8.3840   2.5699  700.283  166.957  717.876  118.460 -17.59302 204.7129 
1 1 1    1   15   12 o  1910.88   87.638   57.612   5.2438   70.688   9.4466   51.788   6.3043  2098.12  144.674  1803.97  112.162 294.1473 183.0595 
1 1 1    1   15   14 o  469.284  106.841   3.6270   1.5348   4.6833   2.2798   2.7515   2.0756  531.635  136.305  421.582  137.165 110.0526 193.3737 
1 1 1    1   15   16 o  780.024   87.492   9.7285   2.1001   7.7627   2.8001   12.256   3.1752  685.483  135.257  869.757  119.764 -184.2742 180.6593 
1 1 1    1   15   18 o  1353.36   91.303   29.116   3.8465   28.303   4.4647   31.456   7.5765  1330.19  108.128  1378.47  179.815 -48.27368 209.8216 
1 1 1    1   15   20 o  1644.58   91.930   43.013   4.7151   42.913   5.5683   43.264   8.8634  1637.48  109.227  1615.78  178.147 21.70349 208.9667 
1 1 1    1   15   22 o  2366.23  119.600   90.045   8.8327   90.045   8.8327   0.0000   0.0000  2366.23  119.600  ?   ?  0.000000 119.5996 
1 1 1    1   15   24 o  1357.95   92.356   29.462   3.9037   28.831   4.8336   30.645   6.6197  1335.31  116.779  1359.49  158.479 -24.17786 196.8576 
1 1 1    1   15   26 o  1371.29  101.013   30.162   4.3068   28.986   7.6883   30.699   5.1991  1303.77  194.257  1376.12  121.921 -72.34985 229.3478 
1 1 1    1   15   28 o  936.245  135.333   14.445   3.8523   16.111   6.3727   13.485   4.8359  957.134  217.564  888.097  180.063 69.03699 282.4124 
1 1 1    1   15   30 o  728.176  114.978   8.6989   2.5346   7.6052   3.1371   10.755   4.3013  669.906  152.921  791.411  177.900 -121.5059 234.5916 
1 1 1    1   15   32 o  1177.42  125.891   22.640   4.5694   22.965   7.4198   22.441   5.7997  1143.69  215.083  1155.68  164.949 -11.98560 271.0511 
1 1 1    1   15   34 o  1074.46  131.728   19.049   4.3390   18.234   7.3015   19.494   5.3951  998.595  237.055  1071.70  166.148 -73.10803 289.4825 
1 1 1    1   15   36 o  1603.82  121.811   42.050   6.0716   40.546   9.5481   43.070   7.8670  1517.62  206.270  1599.97  159.141 -82.34619 260.5246 
1 1 1    1   15   38 o  1332.82   92.656   28.635   3.8428   27.646   4.8579   30.290   6.2818  1296.46  121.066  1339.33  152.508 -42.87146 194.7192 
1 1 1    1   15   40 o  843.932  109.365   11.782   2.8221   14.080   3.5643   7.9221   4.6201  915.273  127.858  657.619  203.536 257.6539 240.3635 
1 1 1    1   15   42 o  722.393  163.000   9.4736   3.5994   9.4736   3.5994   0.0000   0.0000  722.393  163.000  ?   ?  0.000000 162.9998 
1 1 1    1   15   44 o  1194.03  123.752   24.835   4.5597   24.835   4.5597   0.0000   0.0000  1194.03  123.752  ?   ?  0.000000 123.7519 
1 1 1    1   15   46 o  682.027  150.827   9.0563   3.1356   9.0563   3.1356   0.0000   0.0000  682.027  150.827  ?   ?  0.000000 150.8273 
1 1 1    1   15   48 o  836.088  169.224   14.949   4.2782   14.949   4.2782   0.0000   0.0000  836.088  169.224  ?   ?  0.000000 169.2237 
1 1 1    1   15   52 o  460.017  226.322   17.497   11.437   17.497   11.437   0.0000   0.0000  460.017  226.322  ?   ?  0.000000 226.3225 
1 1 1    1   15   54 o  397.486  200.680   18.514   11.921   18.514   11.921   0.0000   0.0000  397.486  200.680  ?   ?  0.000000 200.6801 
1 1 1    1   16    1 o  2104.45   90.208   69.801   5.9443   79.867   10.490   65.040   7.2144  2232.98  150.917  2024.23  114.288 208.7552 189.3087 
1 1 1    1   16    3 o  2646.51   98.600  110.543   8.1708  133.142   14.175   99.297   9.9991  2882.53  157.646  2498.23  128.257 384.2998 203.2293 
1 1 1    1   16    5 o  1503.45   85.068   35.717   3.9883   42.266   6.9288   32.472   4.8773  1624.59  137.497  1428.79  109.859 195.7990 175.9954 
1 1 1    1   16    7 o  2151.06   79.031   72.836   5.3231   83.043   7.5834   62.922   7.4738  2291.97  105.666  1988.67  120.592 303.2931 160.3369 
1 1 1    1   16    9 o  1262.63   75.342   25.176   2.9651   24.125   4.3007   26.128   4.0936  1229.25  112.999  1281.70  102.868 -52.45215 152.8088 
1 1 1    1   16   11 o  1207.33   88.163   23.111   3.3099   28.619   6.3824   21.084   3.8712  1328.03  156.487  1149.00  108.899 179.0341 190.6495 
1 1 1    1   16   13 o  1028.74   99.077   16.886   3.1520   16.682   3.6726   17.457   6.1418  1018.61  117.287  1019.42  199.551 -0.8123169 231.4665 
1 1 1    1   16   15 o  409.385  119.419   2.7176   1.6254   3.9197   2.2569   1.4221   2.3429  489.020  140.162  368.121  142.570 120.8989 199.9289 
1 1 1    1   16   17 o  1568.26   87.123   38.993   4.2614   37.426   5.1823   42.264   7.4885  1530.97  108.813  1613.80  149.905 -82.83228 185.2344 
1 1 1    1   16   19 o  907.657   98.880   13.228   2.7648   10.604   3.2947   19.474   5.0837  802.122  136.037  1087.34  153.587 -285.2191 205.1711 
1 1 1    1   16   21 o  401.303  125.229   2.5723   1.7449   4.5048   2.0867  -1.9205   3.1816  519.640  128.874  316.177  144.376 203.4627 193.5272 
1 1 1    1   16   23 o  1124.61  101.900   20.290   3.5494   19.870   4.0697   21.625   7.2545  1107.94  119.184  1118.80  214.891 -10.86206 245.7291 
1 1 1    1   16   25 o  2652.45  108.447  112.207   9.0070  116.433   10.869  102.944   16.092  2691.74  128.956  2472.17  209.866 219.5730 246.3198 
1 1 1    1   16   27 o  933.977  174.809   14.713   4.9244   26.091   6.5981   0.4063   7.3989  1251.71  172.964  547.392  236.354 704.3224 292.8819 
1 1 1    1   16   29 o  1394.93  118.308   31.374   5.1188   36.410   7.7434   27.466   6.8220  1481.80  169.962  1282.80  174.356 198.9928 243.4892 
1 1 1    1   16   31 o  279.149  122.276  -0.3962   2.0408   0.1538   2.5185  -1.4481   3.4826  328.753  139.832  343.119  154.417 -14.36627 208.3208 
1 1 1    1   16   33 f  2176.72  125.302   76.809   8.5043   71.706   12.644   81.024   11.492  2050.34  199.474  2206.65  167.571 -156.3086 260.5185 
1 1 1    1   16   35 o  1414.67  129.836   32.783   5.6871   29.233   9.2342   34.953   7.2186  1270.31  240.969  1443.62  162.519 -173.3114 290.6521 
1 1 1    1   16   37 o  1947.16  122.757   61.860   7.4462   70.655   11.595   55.687   9.7138  2031.81  184.260  1811.25  173.394 220.5641 253.0166 
1 1 1    1   16   39 o  2490.67  138.113  103.129   10.729   91.680   16.314  111.855   14.243  2226.32  237.693  2543.54  179.991 -317.2251 298.1521 
1 1 1    1   16   41 o  1073.28  153.329   20.097   5.0065   24.165   9.2598   18.417   5.9513  1063.33  275.779  994.005  198.161 69.32776 339.5907 
1 1 1    1   16   43 o  1007.97  161.702   18.663   4.9311   18.663   4.9311   0.0000   0.0000  1007.97  161.702  ?   ?  0.000000 161.7019 
1 1 1    1   16   45 o  238.927  110.435  -1.1332   1.9414  -1.1332   1.9414   0.0000   0.0000  238.927  110.435  ?   ?  0.000000 110.4351 
1 1 1    1   16   47 o  784.003  174.973   12.993   4.1865   12.993   4.1865   0.0000   0.0000  784.003  174.973  ?   ?  0.000000 174.9725 
1 1 1    1   16   49 o  379.494  148.505   2.7320   2.5623   2.7320   2.5623   0.0000   0.0000  379.494  148.505  ?   ?  0.000000 148.5054 
1 1 1    1   16   51 o  917.649  164.188   19.225   4.5445   19.225   4.5445   0.0000   0.0000  917.649  164.188  ?   ?  0.000000 164.1876 
1 1 1    1   16   53 o  550.720  156.212   7.6456   2.8182   7.6456   2.8182   0.0000   0.0000  550.720  156.212  ?   ?  0.000000 156.2125 
1 1 1    1   17    0 o  867.651  114.548   12.109   3.0360   0.0000   0.0000   12.109   3.0360  ?   ?   867.651  114.548 0.000000 114.5481 
1 1 1    1   17    2 o  1109.69   89.872   19.529   3.0960   22.189   5.7399   18.437   3.6767  1168.12  161.225  1074.37  110.885 93.75549 195.6758 
1 1 1    1   17    4 o  1534.47   89.771   37.230   4.2945   38.247   5.3794   35.444   7.1310  1551.27  111.490  1482.32  155.976 68.94958 191.7253 
1 1 1    1   17    6 o  309.606  116.548   1.1159   1.5367   2.5829   2.6226   0.3489   1.8963  432.198  153.882  297.816  123.645 134.3819 197.4021 
1 1 1    1   17    8 o  632.149  107.066   6.4889   2.0436   8.7644   2.8884   4.2079   2.8919  732.170  130.786  514.471  161.328 217.6996 207.6820 
1 1 1    1   17   10 o  844.489  153.737   11.743   3.9155   8.2985   5.2030   16.242   5.9457  709.065  215.370  984.124  199.770 -275.0598 293.7551 
1 1 1    1   17   12 o  942.094   95.386   14.162   2.7750   15.167   3.5591   12.604   4.4320  970.281  119.681  871.103  168.578 99.17828 206.7416 
1 1 1    1   17   14 o  1586.41  107.565   40.085   5.3117   40.085   5.3117   0.0000   0.0000  1586.41  107.565  ?   ?  0.000000 107.5648 
1 1 1    1   17   16 o  985.960   96.935   15.538   2.9540   16.105   3.5342   14.224   5.3807  999.894  114.972  916.617  193.544 83.27716 225.1180 
1 1 1    1   17   18 o  756.609  103.326   9.2493   2.3839   11.116   3.0497   6.3169   3.8224  826.323  121.494  616.429  184.011 209.8935 220.5014 
1 1 1    1   17   20 o  1073.95   82.626   18.330   2.7572   15.198   3.5927   22.818   4.3008  968.548  121.111  1190.80  116.847 -222.2559 168.2885 
1 1 1    1   17   22 o  701.652  116.766   8.0479   2.4752   11.883   3.2625   2.8465   3.7995  853.556  125.845  481.823  182.820 371.7332 221.9462 
1 1 1    1   17   24 o  1023.39   95.349   16.732   3.0203   19.369   4.0321   13.360   4.5589  1095.90  119.435  893.777  169.089 202.1219 207.0167 
1 1 1    1   17   26 o  648.350  130.189   6.9587   2.5512   9.1096   3.3269   3.8884   3.9749  739.484  148.832  523.821  189.114 215.6638 240.6551 
1 1 1    1   17   30 o  1355.14  204.832   31.239   8.4204   31.239   8.4204   0.0000   0.0000  1355.14  204.832  ?   ?  0.000000 204.8322 
1 1 1    1   17   32 f  1683.79  195.516   47.943   10.116   47.943   10.116   0.0000   0.0000  1683.79  195.516  ?   ?  0.000000 195.5163 
1 1 1    1   17   34 o  2257.75  101.622   81.453   7.1843   77.970   8.8867   88.024   12.206  2191.41  130.091  2299.91  170.708 -108.5022 214.6272 
1 1 1    1   17   36 o  3544.82  126.648  203.827   14.058  202.562   17.286  206.298   24.158  3500.41  157.707  3433.25  225.977 67.15698 275.5665 
1 1 1    1   17   38 o  628.401  157.872   6.8522   3.1024   7.4200   3.9683   5.9597   4.9756  648.051  185.892  599.710  212.124 48.34106 282.0508 
1 1 1    1   17   40 o  1655.47  176.041   48.336   8.9854   0.0000   0.0000   48.336   8.9854  ?   ?   1655.47  176.041 0.000000 176.0408 
1 1 1    1   17   44 o  559.411  202.478   6.4173   4.5608   3.2731   9.8359   7.2785   5.1476  542.087  249.862  584.583  214.570 -42.49573 329.3498 
1 1 1    1   17   46 o  687.635  287.935   17.047   10.409   17.047   10.409   0.0000   0.0000  687.635  287.935  ?   ?  0.000000 287.9350 
1 1 1    1   17   48 o  1233.46  143.838   29.675   5.4511   29.675   5.4511   0.0000   0.0000  1233.46  143.838  ?   ?  0.000000 143.8382 
1 1 1    1   17   50 o  487.410  169.484   5.6532   3.1677   5.6532   3.1677   0.0000   0.0000  487.410  169.484  ?   ?  0.000000 169.4840 
1 1 1    1   17   52 o  1074.09  155.254   26.100   5.0700   26.100   5.0700   0.0000   0.0000  1074.09  155.254  ?   ?  0.000000 155.2542 
1 1 1    1   18    1 o  1351.75   77.163   28.836   3.2525   34.769   4.8443   23.966   4.3888  1480.05  105.214  1225.42  115.750 254.6304 156.4225 
1 1 1    1   18    3 o  2189.92  119.630   76.173   8.1722   75.105   11.349   77.324   11.777  2159.12  169.228  2189.52  173.190 -30.40552 242.1423 
1 1 1    1   18    5 o  767.210  117.151   9.5273   2.7251   10.252   4.9755   9.2166   3.2571  781.479  201.896  748.692  144.164 32.78723 248.0828 
1 1 1    1   18    7 o  865.706  126.169   12.135   3.3196   15.553   5.2429   9.8483   4.2887  968.844  179.431  767.308  181.366 201.5359 255.1257 
1 1 1    1   18    9 o  1424.68  111.973   32.340   4.9549   36.966   7.5132   28.780   6.5915  1510.40  161.357  1330.69  161.504 179.7053 228.2972 
1 1 1    1   18   11 o  236.399  107.748  -1.1166   1.7619  -7.6268   2.6865   3.7964   2.3338  200.013  100.224  483.844  143.635 -283.8312 175.1449 
1 1 1    1   18   13 o  1495.76   80.785   35.372   3.7696   42.207   5.2771   28.251   5.3867  1629.33  103.978  1324.95  131.580 304.3854 167.7041 
1 1 1    1   18   15 o  915.660   91.867   13.380   2.5984   13.285   3.3614   13.520   4.0961  906.036  121.546  906.959  149.441 -0.9235840 192.6292 
1 1 1    1   18   17 o  368.111  137.058   1.6790   2.1138   1.6790   2.1138   0.0000   0.0000  368.111  137.058  ?   ?  0.000000 137.0583 
1 1 1    1   18   19 o  878.936   93.205   12.347   2.5260   12.901   3.1954   11.423   4.1245  893.615  117.010  827.969  164.881 65.64630 202.1809 
1 1 1    1   18   21 o  759.335  144.264   9.5213   3.3047   0.0000   5.7783   14.149   4.0286  487.137  209.607  930.221  142.877 -443.0841 253.6713 
1 1 1    1   18   23 o  543.367  140.952   4.8995   2.4186   7.1036   3.1220   1.5913   3.8249  652.226  155.130  444.125  178.917 208.1013 236.8049 
1 1 1    1   18   25 o  688.534  127.190   7.7908   2.6412   8.8008   3.4930   6.4424   4.0360  725.857  158.154  624.974  189.652 100.8824 246.9430 
1 1 1    1   18   27 o  1052.56   97.175   17.700   3.1666   16.198   4.1862   19.708   4.8412  996.311  137.883  1098.71  144.201 -102.4024 199.5134 
1 1 1    1   18   29 o  1362.40  178.187   30.816   7.4193   0.0000   0.0000   30.816   7.4193  ?   ?   1362.40  178.187 0.000000 178.1873 
1 1 1    1   18   31 o  1137.18  146.926   21.242   5.1093   25.491   8.1800   18.525   6.5426  1213.86  223.446  1037.03  208.710 176.8318 305.7580 
1 1 1    1   18   33 o  2267.59  197.142   86.418   13.859   86.418   13.859   0.0000   0.0000  2267.59  197.142  ?   ?  0.000000 197.1422 
1 1 1    1   18   39 o  2033.79  104.733   67.406   6.6471   64.443   8.2177   73.014   11.305  1963.76  134.453  2043.12  178.496 -79.36267 223.4691 
1 1 1    1   18   41 o  317.528  138.497  -0.0408   2.5935   2.0027   3.0579  -5.2781   4.8954  404.588  161.001  336.510  161.381 68.07825 227.9591 
1 1 1    1   18   43 o  835.747  138.207   12.456   3.4904   11.723   4.2416   13.994   6.1428  779.992  177.644  799.082  231.883 -19.08997 292.1079 
1 1 1    1   18   45 o  382.860  174.128  -0.2373   4.5700  -7.4504   9.6653   1.8396   5.1863  430.554  211.065  439.269  193.596 -8.714325 286.4053 
1 1 1    1   18   47 f  546.831  254.627   8.0049   10.615   8.0049   10.615   0.0000   0.0000  546.831  254.627  ?   ?  0.000000 254.6271 
1 1 1    1   18   49 o  368.106  186.378 -15.4227   10.811 -15.4227   10.811   0.0000   0.0000  368.106  186.378  ?   ?  0.000000 186.3781 
1 1 1    1   18   51 o  356.365  151.321   2.1980   2.9403   2.1980   2.9403   0.0000   0.0000  356.365  151.321  ?   ?  0.000000 151.3206 
1 1 1    1   19    0 o  1814.20   83.574   51.828   4.7476   54.520   6.5830   48.910   6.8535  1852.74  114.026  1751.69  125.787 101.0447 169.7773 
1 1 1    1   19    2 o  1073.32  131.624   18.558   4.3310   18.558   4.3310   0.0000   0.0000  1073.32  131.624  ?   ?  0.000000 131.6238 
1 1 1    1   19    4 o  890.401  109.677   12.722   2.9932   12.759   3.9204   12.671   4.6349  883.539  146.860  873.611  175.528 9.927612 228.8621 
1 1 1    1   19    6 o  317.227  131.196   0.4553   2.1232   1.2174   3.0279  -0.2819   2.9781  396.396  159.364  346.847  149.856 49.54907 218.7553 
1 1 1    1   19    8 o  594.066  144.661   5.8496   2.6658   7.5031   4.8885   5.1498   3.1804  677.802  209.297  562.514  167.830 115.2881 268.2759 
1 1 1    1   19   10 o  755.091  128.920   9.3059   2.9387   6.2378   5.4190   10.584   3.4977  642.069  221.763  802.908  144.435 -160.8386 264.6511 
1 1 1    1   19   12 o  876.943  167.472   12.740   4.4309   11.207   6.0304   14.540   6.5323  813.962  227.682  923.914  227.344 -109.9518 321.7524 
1 1 1    1   19   14 o  791.507  114.533   10.127   2.7561   5.4119   3.7625   15.587   4.0485  581.716  184.229  980.554  135.478 -398.8373 228.6798 
1 1 1    1   19   16 o  2294.36   86.424   82.987   6.2089   83.557   8.6481   82.382   8.9195  2291.60  120.950  2273.92  125.760 17.68799 174.4833 
1 1 1    1   19   18 o  1352.16   83.124   28.912   3.5024   26.920   4.6147   31.617   5.3789  1298.66  114.661  1406.18  123.410 -107.5159 168.4548 
1 1 1    1   19   20 o  1337.12   87.258   28.306   3.6333   23.768   4.9157   33.770   5.3942  1215.78  131.206  1454.40  119.504 -238.6200 177.4717 
1 1 1    1   19   22 o  1563.70   88.275   38.688   4.3046   37.999   5.7765   39.549   6.4550  1542.68  120.542  1570.88  132.466 -28.19958 179.1024 
1 1 1    1   19   24 o  976.521  105.742   15.273   3.1817   13.317   4.1588   18.033   4.9405  899.776  153.095  1049.83  154.949 -150.0590 217.8241 
1 1 1    1   19   26 o  696.683  131.601   7.9905   2.7657   6.8284   3.5948   9.6760   4.3292  638.910  174.679  757.066  184.346 -118.1565 253.9607 
1 1 1    1   19   28 o  1040.47  113.774   17.418   3.6463   14.695   4.4758   22.793   6.2877  942.846  157.134  1172.34  176.781 -229.4939 236.5214 
1 1 1    1   19   30 o  2918.17  193.399  140.654   17.572   0.0000   0.0000  140.654   17.572  ?   ?   2918.17  193.399 0.000000 193.3990 
1 1 1    1   19   32 o  880.435  224.206   13.529   6.1977   0.0000   0.0000   13.529   6.1977  ?   ?   880.435  224.206 0.000000 224.2063 
1 1 1    1   19   34 o  591.060  201.750   5.5755   4.4808  -2.1636   7.1435   10.596   5.7535  492.558  221.461  777.066  224.104 -284.5078 315.0670 
1 1 1    1   19   36 o  781.018  198.635   10.801   4.8690   19.404   8.3041   6.2930   6.0106  1017.75  259.715  632.213  231.889 385.5369 348.1730 
1 1 1    1   19   38 f  1133.33  269.128   25.467   9.4084   25.467   9.4084   0.0000   0.0000  1133.33  269.128  ?   ?  0.000000 269.1278 
1 1 1    1   19   40 o  941.267  170.971   15.930   4.8535   15.930   4.8535   0.0000   0.0000  941.267  170.971  ?   ?  0.000000 170.9708 
1 1 1    1   19   42 o  431.046  167.095   2.7193   3.2206   2.9737   3.8799   2.1557   5.7753  456.308  181.427  482.946  208.672 -26.63776 276.5136 
1 1 1    1   19   44 o  362.484  160.130   0.2299   3.5686   0.2299   3.5686   0.0000   0.0000  362.484  160.130  ?   ?  0.000000 160.1296 
1 1 1    1   19   46 o  439.833  177.261   3.2347   3.7561   3.2347   3.7561   0.0000   0.0000  439.833  177.261  ?   ?  0.000000 177.2607 
1 1 1    1   19   48 o  740.418  317.614   28.743   13.194   28.743   13.194   0.0000   0.0000  740.418  317.614  ?   ?  0.000000 317.6140 
1 1 1    1   20    1 o  1110.64  133.881   19.849   4.5621   19.849   4.5621   0.0000   0.0000  1110.64  133.881  ?   ?  0.000000 133.8813 
1 1 1    1   20    3 o  985.323  102.880   15.486   3.1273   16.775   4.1544   13.800   4.7508  1019.89  133.277  914.390  172.246 105.5004 217.7870 
1 1 1    1   20    5 o  2132.86   86.229   71.631   5.7588   79.013   8.0302   63.814   8.2631  2232.18  115.283  2001.13  132.624 231.0493 175.7244 
1 1 1    1   20    7 o  1376.09   83.663   29.916   3.5878   36.376   5.1471   23.809   5.0038  1513.47  109.347  1217.88  133.397 295.5991 172.4866 
1 1 1    1   20    9 o  1475.83   83.707   34.393   3.8523   35.261   5.4853   33.547   5.4115  1488.11  118.706  1450.96  120.192 37.15759 168.9300 
1 1 1    1   20   11 o  1065.10   92.645   18.009   3.0590   25.395   4.4242   11.244   4.2342  1262.56  113.108  824.077  169.743 438.4786 203.9759 
1 1 1    1   20   13 o  479.521  186.500   2.3763   4.0223   0.5893   5.1549   5.1578   6.4312  478.088  201.533  636.797  238.680 -158.7086 312.3841 
1 1 1    1   20   15 o  610.447  195.592   5.8928   4.2315  -0.1513   5.6156   13.833   6.4365  481.165  206.828  905.432  227.352 -424.2666 307.3550 
1 1 1    1   20   17 o  321.530  144.620  -1.4464   3.0497  -2.3353   5.5233  -1.0566   3.6578  434.801  195.173  366.807  162.075 67.99442 253.6943 
1 1 1    1   20   19 o  941.119  105.232   14.158   3.0480   14.894   3.9027   13.007   4.8803  959.801  133.471  884.618  182.252 75.18225 225.8990 
1 1 1    1   20   21 o  482.973  152.465   3.6809   2.5785   3.7204   3.2319   3.6117   4.2770  500.772  171.340  527.991  195.282 -27.21893 259.7931 
1 1 1    1   20   23 o  1352.96   91.735   29.011   3.8633   24.387   5.1258   35.091   5.8783  1230.70  135.244  1480.69  128.046 -249.9891 186.2439 
1 1 1    1   20   25 o  352.182  148.915   0.2151   2.8284  -2.0155   3.7474   3.1684   4.3118  349.598  158.488  513.110  194.740 -163.5125 251.0822 
1 1 1    1   20   27 o  1316.56  112.248   27.700   4.5832   26.748   6.8559   28.470   6.1627  1274.84  176.482  1324.15  151.352 -49.30542 232.4937 
1 1 1    1   20   29 o  1782.41  119.390   50.790   6.6248   44.579   9.0329   58.020   9.7455  1648.48  177.810  1887.81  166.572 -239.3269 243.6444 
1 1 1    1   20   31 o  1799.93  180.929   53.398   10.059   0.0000   0.0000   53.398   10.059  ?   ?   1799.93  180.929 0.000000 180.9286 
1 1 1    1   20   33 o  2402.86  134.814   93.348   10.102   94.105   14.845   92.695   13.787  2366.79  202.252  2359.61  188.169 7.179443 276.2490 
1 1 1    1   20   35 o  1305.14  153.231   28.355   6.1430   35.975   9.8291   23.471   7.8691  1425.19  227.936  1146.46  227.235 278.7288 321.8548 
1 1 1    1   20   37 o  983.008  193.949   17.229   5.7578  -1.3103   9.2917   28.785   7.3360  552.664  250.144  1280.91  188.546 -728.2457 313.2435 
1 1 1    1   20   39 o  340.853  151.042  -0.5231   3.1992  -4.4768   3.8782   7.8983   5.6600  302.909  144.833  651.828  226.555 -348.9192 268.8938 
1 1 1    1   20   41 o  743.474  203.682   10.769   4.8818   10.769   4.8818   0.0000   0.0000  743.474  203.682  ?   ?  0.000000 203.6815 
1 1 1    1   20   43 o  719.885  297.156   13.477   10.863   13.477   10.863   0.0000   0.0000  719.885  297.156  ?   ?  0.000000 297.1562 
1 1 1    1   20   45 o  851.862  191.047   14.728   4.9703   14.728   4.9703   0.0000   0.0000  851.862  191.047  ?   ?  0.000000 191.0467 
1 1 1    1   20   47 o  711.156  306.088   20.972   12.329   20.972   12.329   0.0000   0.0000  711.156  306.088  ?   ?  0.000000 306.0884 
1 1 1    1   21    0 o  2711.88  105.800  115.933   8.9841  121.266   10.889  104.561   15.900  2769.70  125.557  2545.50  201.116 224.1951 237.0911 
1 1 1    1   21    2 o  305.577  143.269  -3.5039   3.4566 -10.2797   4.6685   4.7183   5.1427  288.293  142.357  591.777  214.883 -303.4838 257.7600 
1 1 1    1   21    4 o  1984.78  101.277   62.219   6.2732   66.336   7.5414   52.970   11.303  2046.39  118.195  1806.25  203.382 240.1428 235.2320 
1 1 1    1   21    6 f  909.107  131.570   13.337   3.6364   15.525   4.2189   7.0120   7.1722  980.158  141.565  706.690  254.172 273.4684 290.9367 
1 1 1    1   21    8 o  1333.86  111.724   28.257   4.6233   32.987   7.8330   25.729   5.7274  1427.26  179.222  1265.47  147.297 161.7888 231.9848 
1 1 1    1   21   10 o  694.585  145.522   7.9296   3.0637   9.5759   3.9628   5.4841   4.8300  760.812  170.561  609.071  209.423 151.7411 270.0908 
1 1 1    1   21   12 o  526.682  157.754   4.4579   2.8059   6.8791   3.7134   1.2359   4.2837  646.494  177.863  457.812  187.515 188.6823 258.4516 
1 1 1    1   21   14 o  701.554  143.517   8.0827   3.0464   10.195   3.9769   5.0830   4.7393  785.736  166.798  592.969  207.242 192.7676 266.0280 
1 1 1    1   21   16 o  1242.61  111.227   24.561   4.2820   23.461   4.9911   27.626   8.3340  1209.89  133.996  1293.67  213.163 -83.78918 251.7806 
1 1 1    1   21   18 o  1782.01  134.086   50.616   7.4270   50.547   10.249   50.693   10.778  1765.79  188.261  1765.06  198.454 0.7271729 273.5435 
1 1 1    1   21   20 o  656.470  204.107   6.9511   4.6400   0.0000   0.0000   6.9511   4.6400  ?   ?   656.470  204.107 0.000000 204.1067 
1 1 1    1   21   22 o  1619.79  136.869   41.984   6.8769   0.0000   0.0000   41.984   6.8769  ?   ?   1619.79  136.869 0.000000 136.8686 
1 1 1    1   21   24 o  1231.98  112.732   24.220   4.3006   26.293   6.1088   22.183   6.0555  1273.45  156.493  1164.09  171.246 109.3605 231.9813 
1 1 1    1   21   26 o  661.430  145.532   7.2481   2.9323   5.1621   3.5756   11.532   5.1243  568.365  179.550  827.015  200.059 -258.6492 268.8157 
1 1 1    1   21   28 o  909.901  142.184   13.528   3.9185   16.114   4.6744   7.4133   7.1868  991.106  155.759  708.257  254.463 282.8486 298.3493 
1 1 1    1   21   30 o  1998.54  103.878   63.519   6.4782   67.403   7.9072   55.591   11.298  2052.35  123.619  1830.84  200.341 221.5073 235.4105 
1 1 1    1   21   32 o  1425.19  134.418   32.952   5.9277   30.411   7.9568   36.122   8.8859  1343.39  194.842  1463.89  199.015 -120.4968 278.5147 
1 1 1    1   21   34 o  1245.00  164.727   25.988   6.2640   20.184   9.4867   30.475   8.3408  1032.87  284.337  1325.61  207.771 -292.7416 352.1594 
1 1 1    1   21   36 o  1235.46  170.402   26.136   6.4166   16.428   9.7515   33.550   8.5213  906.906  297.419  1378.61  203.521 -471.7075 360.3874 
1 1 1    1   21   38 o  603.210  220.205   6.1714   5.4109  -4.6698   8.7398   12.910   6.8902  489.199  228.866  811.348  248.141 -322.1487 337.5699 
1 1 1    1   21   40 o  1128.25  290.030   27.879   10.303   27.879   10.303   0.0000   0.0000  1128.25  290.030  ?   ?  0.000000 290.0296 
1 1 1    1   21   42 o  1083.03  319.146   29.721   11.557   29.721   11.557   0.0000   0.0000  1083.03  319.146  ?   ?  0.000000 319.1464 
1 1 1    1   21   44 o  528.010  250.524  -1.3094   11.158  -1.3094   11.158   0.0000   0.0000  528.010  250.524  ?   ?  0.000000 250.5241 
1 1 1    1   21   46 o  629.123  284.125   11.170   11.912   11.170   11.912   0.0000   0.0000  629.123  284.125  ?   ?  0.000000 284.1246 
1 1 1    1   22    1 o  1890.01   88.311   56.141   5.2263   60.647   7.1963   51.112   7.6026  1957.99  117.928  1793.58  136.392 164.4089 180.3046 
1 1 1    1   22    3 o  621.736  155.618   6.3625   3.0225   6.8638   3.9240   5.6312   4.7393  648.456  184.469  613.604  207.496 34.85193 277.6389 
1 1 1    1   22    5 o  571.713  160.395   5.3268   2.9881   5.3823   3.9222   5.2502   4.6129  587.551  188.314  597.284  204.697 -9.733398 278.1414 
1 1 1    1   22    7 o  1338.08  143.298   28.635   5.9106   33.375   7.8748   22.518   8.9449  1438.02  178.743  1159.46  253.450 278.5537 310.1385 
1 1 1    1   22    9 o  816.069  148.508   10.863   3.6550   10.530   4.1633   11.983   7.6333  799.257  171.493  856.450  261.025 -57.19354 312.3199 
1 1 1    1   22   11 o  601.530  176.667   5.8597   3.5466   5.2078   4.1347   7.6749   6.8995  584.648  193.760  721.134  250.164 -136.4860 316.4256 
1 1 1    1   22   13 o  1074.19   99.274   18.317   3.3014   24.196   4.7313   12.738   4.6088  1231.77  124.373  879.969  173.430 351.8013 213.4159 
1 1 1    1   22   15 o  999.167  117.072   15.966   3.5933   19.252   5.9756   14.105   4.4973  1084.40  182.464  929.530  160.304 154.8687 242.8799 
1 1 1    1   22   17 o  685.230  168.340   7.7733   3.5859   7.6171   5.0845   7.9279   5.0581  688.150  213.611  699.016  212.357 -10.86560 301.2057 
1 1 1    1   22   19 f  337.503  147.098  -0.5199   2.9207   0.3105   3.8026  -1.7147   4.5610  409.446  172.871  401.069  178.880 8.377747 248.7620 
1 1 1    1   22   21 f  308.653  137.259  -0.9709   2.6648   0.0954   3.2486  -3.1644   4.6591  373.862  158.911  378.687  173.589 -4.825836 235.3419 
1 1 1    1   22   23 o  651.615  222.001   6.4463   5.4254   10.095   6.9007   0.5397   8.7797  787.512  249.506  609.155  260.137 178.3564 360.4506 
1 1 1    1   22   25 o  965.318  213.379   15.681   6.2781   12.963   8.0273   19.961   10.075  878.996  267.628  1073.77  291.958 -194.7750 396.0607 
1 1 1    1   22   27 o  1856.74  118.436   54.898   6.8498   59.399   11.730   52.568   8.4379  1903.22  199.815  1807.44  150.460 95.78430 250.1284 
1 1 1    1   22   29 o  1132.26  127.449   20.687   4.4400   24.069   5.3284   13.003   8.0308  1218.15  142.380  870.501  268.170 347.6528 303.6234 
1 1 1    1   22   31 o  519.751  187.199   3.8748   3.8918   4.0314   4.8344   3.5865   6.5600  551.072  206.862  588.054  235.222 -36.98236 313.2430 
1 1 1    1   22   33 o  1070.06  176.109   19.410   5.6954   19.410   5.6954   0.0000   0.0000  1070.06  176.109  ?   ?  0.000000 176.1087 
1 1 1    1   22   35 o  838.400  296.388   13.233   9.7125   13.233   9.7125   0.0000   0.0000  838.400  296.388  ?   ?  0.000000 296.3875 
1 1 1    1   22   37 o  559.958  252.287  -0.7219   9.3269  -0.7219   9.3269   0.0000   0.0000  559.958  252.287  ?   ?  0.000000 252.2869 
1 1 1    1   22   39 o  442.136  213.997 -10.2344   9.0953 -10.2344   9.0953   0.0000   0.0000  442.136  213.997  ?   ?  0.000000 213.9967 
1 1 1    1   22   41 o  655.888  279.881   6.9963   10.149   6.9963   10.149   0.0000   0.0000  655.888  279.881  ?   ?  0.000000 279.8807 
1 1 1    1   22   43 o  409.673  193.223  -3.7575   6.4546  -8.6134   11.575  -1.5660   7.7759  491.274  238.642  474.285  219.851 16.98889 324.4760 
1 1 1    1   22   45 o  652.710  248.594   9.8993   7.0420   3.0781   12.358   13.179   8.5693  574.073  269.710  713.807  273.664 -139.7343 384.2336 
1 1 1    1   23    0 f  1835.92  104.274   53.188   5.9697   53.265   7.1793   53.015   10.747  1834.00  125.775  1816.11  191.884 17.88379 229.4319 
1 1 1    1   23    2 o  645.400  163.646   6.8506   3.3118   11.187   4.3824   1.0762   5.0570  824.625  175.130  488.696  202.321 335.9290 267.5896 
1 1 1    1   23    4 o  544.350  168.598   4.6811   3.1694   2.7879   4.0785   7.5676   5.0359  497.585  189.266  688.451  212.402 -190.8658 284.4932 
1 1 1    1   23    6 o  823.107  165.686   11.112   4.1225   16.753   6.3787   7.0657   5.4024  1006.72  209.182  676.385  221.353 330.3378 304.5557 
1 1 1    1   23    8 o  911.923  147.238   13.474   4.0611   16.032   4.7469   6.4905   7.8433  994.437  157.711  711.736  264.208 282.7010 307.6990 
1 1 1    1   23   10 o  789.911  148.996   10.188   3.5501   13.419   6.2454   8.6460   4.3151  897.847  223.125  723.720  188.531 174.1270 292.1109 
1 1 1    1   23   12 o  729.670  199.940   8.7719   4.7035   0.5197   5.9128   22.993   7.7621  510.496  215.552  1180.44  218.030 -669.9448 306.5936 
1 1 1    1   23   14 o  495.936  194.197   2.3863   4.3838  -1.1115   5.1953   11.033   8.1685  445.048  195.018  834.760  272.136 -389.7126 334.7982 
1 1 1    1   23   16 o  841.083  157.673   11.578   4.0000   12.957   4.5310   6.7071   8.5155  888.679  169.004  730.385  274.472 158.2946 322.3311 
1 1 1    1   23   18 o  1159.20  100.725   21.317   3.6197   26.877   5.0238   15.315   5.2199  1298.56  125.101  965.493  179.262 333.0693 218.5976 
1 1 1    1   23   20 o  740.880  135.726   8.9546   3.0326   7.2150   4.0663   11.135   4.5524  662.924  187.504  819.625  182.110 -156.7012 261.3841 
1 1 1    1   23   22 o  903.675  135.676   13.216   3.7206   18.410   4.6780   4.2744   6.1379  1068.02  143.514  606.651  231.839 461.3640 272.6646 
1 1 1    1   23   24 o  684.378  180.421   7.7797   3.9213   5.7723   4.2257   20.222   10.521  605.720  195.604  1083.01  299.953 -477.2935 358.0954 
1 1 1    1   23   26 o  570.297  189.290   5.0308   3.9456   5.0308   3.9456   0.0000   0.0000  570.297  189.290  ?   ?  0.000000 189.2905 
1 1 1    1   23   28 o  477.857  221.935  -6.0798   7.9812  -6.0798   7.9812   0.0000   0.0000  477.857  221.935  ?   ?  0.000000 221.9354 
1 1 1    1   23   30 o  462.988  215.211  -5.6062   7.5303  -5.6062   7.5303   0.0000   0.0000  462.988  215.211  ?   ?  0.000000 215.2112 
1 1 1    1   23   32 o  1570.39  241.693   43.346   11.504   43.346   11.504   0.0000   0.0000  1570.39  241.693  ?   ?  0.000000 241.6934 
1 1 1    1   23   34 o  544.403  214.291   3.5906   5.3626   3.5906   5.3626   0.0000   0.0000  544.403  214.291  ?   ?  0.000000 214.2906 
1 1 1    1   23   36 o  760.989  288.480   10.181   9.4550   10.181   9.4550   0.0000   0.0000  760.989  288.480  ?   ?  0.000000 288.4802 
1 1 1    1   23   38 o  731.195  292.394   9.2639   10.133   9.2639   10.133   0.0000   0.0000  731.195  292.394  ?   ?  0.000000 292.3943 
1 1 1    1   23   40 o  851.744  250.165   14.659   7.1113   26.154   11.216   6.9316   9.1959  1074.34  313.783  660.316  273.058 414.0201 415.9573 
1 1 1    1   23   42 o  1155.23  218.081   25.915   7.5995   27.699   12.042   24.734   9.7970  1045.09  329.430  1043.37  289.622 1.724854 438.6402 
1 1 1    1   24    1 o  732.809  172.807   8.8442   3.9008   10.147   4.6004   5.5107   7.3584  784.082  189.483  676.903  254.993 107.1790 317.6877 
1 1 1    1   24    3 f  1582.41   98.946   39.509   4.8781   41.444   6.5855   37.156   7.2611  1616.23  131.262  1525.79  154.092 90.44104 202.4209 
1 1 1    1   24    5 o  280.131  135.184  -5.6053   3.5655  -6.0628   5.3872  -5.2487   4.7562  373.126  176.150  352.361  166.093 20.76535 242.1067 
1 1 1    1   24    7 o  1126.11  135.573   20.286   4.6844   21.932   7.3055   19.137   6.1047  1156.19  209.505  1083.08  186.748 73.10742 280.6551 
1 1 1    1   24    9 o  497.202  172.938   3.5153   3.2983   3.9620   6.1276   3.3331   3.9135  601.758  231.246  510.386  187.128 91.37192 297.4757 
1 1 1    1   24   11 o  419.355  157.991   2.0384   2.8249   9.3797   4.3278  -3.4115   3.7289  753.668  184.804  324.281  150.971 429.3868 238.6314 
1 1 1    1   24   13 o  599.463  159.146   5.8912   3.0372   8.4604   4.5103   3.7596   4.1083  717.308  195.476  531.549  192.206 185.7597 274.1423 
1 1 1    1   24   15 o  590.431  162.856   5.6952   3.1086   11.234   4.4696   0.5058   4.3263  825.541  178.135  441.447  185.279 384.0945 257.0220 
1 1 1    1   24   17 f  1211.89  130.693   23.451   4.8809   27.448   5.5367   9.5117   10.339  1311.06  136.888  832.473  304.321 478.5833 333.6909 
1 1 1    1   24   19 o  1529.59  116.909   37.111   5.5570   36.543   6.3184   39.048   11.677  1514.58  134.632  1535.28  251.607 -20.70032 285.3629 
1 1 1    1   24   21 o  376.513  166.553  -1.1873   3.8735  -1.1873   3.8735   0.0000   0.0000  376.513  166.553  ?   ?  0.000000 166.5533 
1 1 1    1   24   23 o  765.391  195.378   9.7766   4.6984   19.760   8.2430   4.9719   5.7183  1079.60  248.930  613.379  225.999 466.2240 336.2168 
1 1 1    1   24   25 o  572.229  166.143   5.3642   3.1527   8.8218   4.0160  -0.1896   5.0897  726.458  177.954  456.372  196.544 270.0855 265.1362 
1 1 1    1   24   27 o  481.417  176.114   3.1037   3.4636  -2.1346   4.1503   15.124   6.2870  368.760  167.018  941.093  217.681 -572.3336 274.3718 
1 1 1    1   24   29 o  728.614  182.955   9.0177   4.1681   9.4454   4.8243   7.7587   8.2778  743.527  201.975  728.551  271.235 14.97577 338.1750 
1 1 1    1   24   31 o  464.614  188.698   1.7766   4.2920   5.6918   5.1289  -7.3707   7.8397  608.373  215.348  451.190  212.849 157.1832 302.7856 
1 1 1    1   24   33 o  562.914  245.390   0.3788   8.1314   0.0000   0.0000   0.3788   8.1314  ?   ?   562.914  245.390 0.000000 245.3899 
1 1 1    1   24   35 o  515.927  221.035   1.0954   6.3756   12.057   9.7780  -7.0117   8.4089  815.408  296.268  467.014  220.352 348.3943 369.2287 
1 1 1    1   24   37 o  609.927  271.018   0.7967   10.369   0.7967   10.369   0.0000   0.0000  609.927  271.018  ?   ?  0.000000 271.0179 
1 1 1    1   24   39 o  453.095  207.787  -2.5433   6.6856 -12.1072   10.667   3.6449   8.5801  475.458  230.528  603.771  257.483 -128.3129 345.6022 
1 1 1    1   24   41 o  597.426  242.915   5.3632   7.1229   9.4160   11.313   2.7017   9.1682  716.917  300.185  585.549  257.763 131.3679 395.6675 
1 1 1    1   25    0 o  2327.11   95.615   85.056   6.9672   99.785   9.5674   68.426   10.166  2518.11  121.340  2075.76  157.586 442.3467 198.8883 
1 1 1    1   25    2 o  609.394  217.249   5.0917   5.2288   3.3995   6.6730   7.7834   8.4158  606.111  238.896  759.186  275.008 -153.0750 364.2810 
1 1 1    1   25    4 o  517.664  212.044   1.5178   5.4781   0.0000   0.0000   1.5178   5.4781  ?   ?   517.664  212.044 0.000000 212.0436 
1 1 1    1   25    6 o  853.377  153.061   11.839   3.9397   12.494   5.2236   10.976   5.9998  870.461  196.328  817.451  226.557 53.00989 299.7873 
1 1 1    1   25    8 o  737.455  167.948   8.9407   3.7914   13.769   4.9245   1.9127   5.9412  917.311  177.865  544.825  221.726 372.4868 284.2505 
1 1 1    1   25   10 o  559.715  171.222   4.9696   3.2804  -0.3517   5.0477   8.8603   4.3161  455.491  195.950  733.544  187.268 -278.0534 271.0454 
1 1 1    1   25   12 o  991.258  121.576   15.701   3.6945   24.833   5.3861   7.5875   5.0771  1246.89  140.396  690.374  213.315 556.5106 255.3713 
1 1 1    1   25   14 o  491.585  169.584   3.4756   3.1685   4.1599   4.6513   2.8832   4.3279  562.182  204.326  510.126  194.743 52.05551 282.2658 
1 1 1    1   25   16 o  309.499  140.544  -1.7658   2.9625  -4.0191   3.9069   1.2824   4.5441  324.230  152.111  471.813  193.176 -147.5828 245.8754 
1 1 1    1   25   18 o  763.669  156.088   9.5735   3.6064   10.882   4.6676   7.6351   5.6809  810.602  187.608  698.815  226.904 111.7862 294.4182 
1 1 1    1   25   20 f  778.067  156.410   9.9506   3.6785   10.637   4.6876   8.8496   5.9346  799.986  189.964  740.782  230.915 59.20465 299.0115 
1 1 1    1   25   22 o  462.627  184.334   1.8414   4.0131   1.2548   4.3482   5.2133   10.425  460.221  188.761  739.112  296.211 -278.8906 351.2426 
1 1 1    1   25   24 o  742.715  187.870   9.2427   4.3722   6.9126   4.7369   22.654   11.364  654.556  206.648  1135.66  310.614 -481.1074 373.0749 
1 1 1    1   25   26 o  501.608  191.380   2.9716   4.1782   7.0160   4.4556 -26.5001   12.028  652.906  199.520  451.825  224.071 201.0814 300.0267 
1 1 1    1   25   28 o  988.231  140.173   15.957   4.2159   18.085   5.3527   12.479   6.8423  1043.95  169.568  849.058  244.254 194.8895 297.3439 
1 1 1    1   25   30 o  799.082  169.721   10.784   4.1155   13.181   5.3407   7.2800   6.4573  876.117  199.189  682.518  241.627 193.5986 313.1450 
1 1 1    1   25   32 o  662.112  213.064   7.3672   5.0172   0.7696   6.0937   21.252   8.8400  507.353  216.694  1081.77  263.432 -574.4127 341.1049 
1 1 1    1   25   34 o  715.253  277.752   7.5250   8.9106   0.0000   0.0000   7.5250   8.9106  ?   ?   715.253  277.752 0.000000 277.7522 
1 1 1    1   25   36 o  508.478  217.130   1.1848   6.1160   1.1848   6.1160   0.0000   0.0000  508.478  217.130  ?   ?  0.000000 217.1304 
1 1 1    1   25   38 o  679.513  293.182   4.5449   11.367   4.5449   11.367   0.0000   0.0000  679.513  293.182  ?   ?  0.000000 293.1824 
1 1 1    1   26    1 o  285.455  139.442  -7.7352   4.1089 -13.7979   6.1680  -2.8985   5.5093  330.364  163.224  428.112  193.297 -97.74869 252.9936 
1 1 1    1   26    3 o  586.300  225.478   3.6776   5.8285  -1.6441   7.6331   11.120   9.0266  539.848  236.476  854.962  286.376 -315.1141 371.3918 
1 1 1    1   26    5 o  783.789  173.223   10.087   4.1381   12.179   5.2620   6.6945   6.6993  859.623  199.362  693.577  246.052 166.0460 316.6809 
1 1 1    1   26    7 o  677.592  186.089   7.4987   4.0691   9.6195   5.1769   4.0705   6.5819  766.067  209.695  620.042  239.288 146.0247 318.1683 
1 1 1    1   26    9 o  417.987  167.453   1.3302   3.3302   4.1628   4.8608  -1.1756   4.5718  569.415  208.582  414.938  182.354 154.4775 277.0552 
1 1 1    1   26   11 o  808.022  164.824   10.694   4.0289   5.5739   5.4451   16.890   5.9893  629.745  221.995  1014.86  195.568 -385.1111 295.8528 
1 1 1    1   26   13 o  291.868  138.195  -3.9945   3.3612  -7.9090   4.9750  -0.7070   4.5592  329.345  159.120  424.118  184.326 -94.77341 243.5060 
1 1 1    1   26   15 o  496.918  178.764   3.3127   3.5480   1.9968   4.6593   5.1289   5.4738  496.121  198.311  615.374  221.961 -119.2531 297.6480 
1 1 1    1   26   17 o  348.557  159.598  -2.6824   3.9232  -5.8836   4.3584   10.989   9.0071  321.500  153.671  844.167  286.050 -522.6671 324.7145 
1 1 1    1   26   19 o  298.175  138.625  -2.7802   3.1266  -4.7561   4.3355  -0.6391   4.5132  336.027  158.449  421.802  183.357 -85.77567 242.3346 
1 1 1    1   26   21 o  338.178  150.994  -1.2946   3.2592   2.8717   4.5693  -5.6097   4.6502  515.474  199.252  340.035  161.451 175.4395 256.4524 
1 1 1    1   26   23 o  456.036  188.427   1.0990   4.3738   5.9051   8.6151  -0.5699   5.0767  706.342  273.437  447.863  194.576 258.4792 335.5998 
1 1 1    1   26   25 o  365.076  157.743  -0.2778   3.3003   1.0086   4.4214  -1.8961   4.9593  454.639  188.779  414.697  185.628 39.94278 264.7556 
1 1 1    1   26   27 o  344.544  161.563  -4.2613   4.3986  -4.2613   4.3986   0.0000   0.0000  344.544  161.563  ?   ?  0.000000 161.5634 
1 1 1    1   26   29 o  792.130  209.230   10.767   5.2669   10.767   5.2669   0.0000   0.0000  792.130  209.230  ?   ?  0.000000 209.2298 
1 1 1    1   26   31 o  714.971  230.497   8.6077   5.8697   8.6077   5.8697   0.0000   0.0000  714.971  230.497  ?   ?  0.000000 230.4975 
1 1 1    1   26   33 o  423.740  182.754   0.0226   4.4133  -2.6481   6.3472   2.5224   6.1407  454.857  206.231  546.469  224.248 -91.61215 304.6613 
1 1 1    1   26   37 o  894.844  240.786   14.861   6.8950   20.871   9.3442   7.6761   10.216  1036.72  280.875  724.906  292.271 311.8162 405.3558 
1 1 1    1   27    0 o  1076.99  144.453   18.600   4.7486   17.872   6.2457   19.597   7.3105  1045.24  198.080  1091.33  221.499 -46.08105 297.1487 
1 1 1    1   27    2 o  392.521  178.925  -3.1021   4.8599  -6.4458   6.9860   0.0335   6.7652  442.283  206.152  536.575  228.726 -94.29269 307.9195 
1 1 1    1   27    4 o  386.867  178.291  -3.8696   5.0055  -8.4092   7.8835  -0.8035   6.4790  455.955  214.594  508.908  220.453 -52.95313 307.6526 
1 1 1    1   27    6 o  594.385  231.315   3.5510   6.1904  -0.8049   8.1183   9.6023   9.5685  571.637  247.199  825.837  293.943 -254.2007 384.0700 
1 1 1    1   27    8 o  1064.12  170.105   18.349   5.4771   14.670   8.6979   20.766   7.0504  945.333  276.389  1125.73  207.666 -180.4009 345.7112 
1 1 1    1   27   10 o  473.169  184.706   2.1721   3.9563   4.7500   5.2229  -1.2986   6.0603  597.847  216.634  481.163  210.741 116.6836 302.2282 
1 1 1    1   27   12 o  1184.06  126.262   22.349   4.6091   26.145   6.5002   18.510   6.5363  1274.03  166.961  1060.60  204.227 213.4261 263.7893 
1 1 1    1   27   14 o  542.541  180.527   4.4434   3.5879   3.9334   5.0080   4.9811   5.1426  565.146  210.858  601.700  215.351 -36.55389 301.3921 
1 1 1    1   27   16 o  657.698  179.269   7.1163   3.7930   9.6100   5.1816   4.2375   5.5673  762.302  210.258  590.325  221.913 171.9766 305.7017 
1 1 1    1   27   18 o  365.066  167.031  -2.8482   4.2859   2.3366   8.4435  -4.6478   4.9744  633.778  261.830  371.246  173.349 262.5311 314.0136 
1 1 1    1   27   20 o  618.877  182.561   6.2437   3.7799   6.7092   5.1687   5.7084   5.5418  656.318  216.596  631.239  223.805 25.07977 311.4519 
1 1 1    1   27   22 o  234.804  116.900  -8.6087   3.4041  -8.8909   4.6495  -8.2826   4.9974  300.314  147.044  324.494  157.438 -24.18011 215.4266 
1 1 1    1   27   24 o  658.402  183.115   7.2048   3.9124   12.381   5.2135   0.5319   5.9193  857.828  198.095  506.019  214.775 351.8089 292.1817 
1 1 1    1   27   26 o  367.702  160.448  -0.5636   3.4840  -2.3789   4.5892   1.9060   5.3526  387.181  175.470  514.515  210.044 -127.3339 273.6940 
1 1 1    1   27   28 o  424.333  175.880   0.9267   3.8280   2.7216   4.8648  -1.9916   6.2031  516.899  203.899  466.241  208.231 50.65765 291.4358 
1 1 1    1   27   30 o  903.267  168.438   13.644   4.5888   13.414   5.9235   13.990   7.2565  881.606  216.224  893.649  249.683 -12.04272 330.2946 
1 1 1    1   27   32 o  706.289  263.665   7.3585   7.8327   7.3585   7.8327   0.0000   0.0000  706.289  263.665  ?   ?  0.000000 263.6649 
1 1 1    1   27   34 o  611.655  262.736   1.5956   9.0506   1.5956   9.0506   0.0000   0.0000  611.655  262.736  ?   ?  0.000000 262.7358 
1 1 1    1   28    1 o  768.345  205.346   9.7079   5.0350   4.0204   5.7599   28.133   10.367  592.912  225.065  1302.26  263.292 -709.3445 346.3768 
1 1 1    1   28    3 o  1396.47  141.508   31.064   6.1023   31.588   7.1516   29.661   11.702  1403.90  165.893  1331.97  288.895 71.93164 333.1379 
1 1 1    1   28    5 o  625.991  216.713   5.6591   5.1764   6.3323   6.0371   3.7902   10.059  666.956  233.859  714.213  289.295 -47.25635 371.9967 
1 1 1    1   28    7 f  482.196  185.440   2.4707   3.9423   12.607   5.8235  -6.1045   5.3564  872.352  214.656  371.064  175.319 501.2878 277.1536 
1 1 1    1   28    9 o  880.913  188.360   12.789   5.0383   24.280   9.1371   7.7696   6.0393  1208.41  249.735  710.615  234.110 497.7970 342.3088 
1 1 1    1   28   11 o  1065.35  164.478   18.394   5.3101   34.628   9.5395   11.106   6.3920  1457.07  215.595  821.845  235.978 635.2266 319.6354 
1 1 1    1   28   13 o  1139.30  164.710   21.004   5.7053   35.252   10.111   14.347   6.9108  1465.79  227.672  926.921  237.139 538.8698 328.7393 
1 1 1    1   28   15 f  352.074  157.736  -1.5762   3.5893  -7.2080   5.0944   3.9756   5.0580  343.060  164.550  567.295  211.859 -224.2349 268.2556 
1 1 1    1   28   17 o  1134.40  133.242   20.631   4.6427   19.623   6.3924   21.756   6.7541  1092.02  194.056  1151.15  194.294 -59.13037 274.6054 
1 1 1    1   28   19 o  497.668  184.219   3.1338   3.8077   1.6352   5.1209   4.9869   5.6946  502.979  205.404  614.043  225.638 -111.0642 305.1281 
1 1 1    1   28   21 o  479.422  184.961   2.4812   3.9315   1.9038   5.3570   3.1553   5.7881  518.042  210.653  565.253  222.587 -47.21075 306.4636 
1 1 1    1   28   23 o  956.664  194.615   15.269   5.6314   2.1040   10.697   20.317   6.6236  689.293  290.424  1106.09  198.538 -416.7986 351.8005 
1 1 1    1   28   25 o  329.546  152.921  -3.1629   3.7767  -7.4918   5.1630   1.8192   5.5389  341.187  164.164  520.641  213.234 -179.4543 269.1073 
1 1 1    1   28   27 o  376.568  169.453  -1.8735   4.1926   1.9437   5.2736  -8.4305   6.9118  512.498  208.771  408.860  194.897 103.6379 285.6046 
1 1 1    1   28   29 o  829.089  203.769   11.714   5.2524   10.478   7.2162   13.107   7.6597  791.491  255.614  871.325  260.570 -79.83380 365.0141 
1 1 1    1   28   31 o  509.340  221.387  -0.2763   6.5781   0.0000   0.0000  -0.2763   6.5781  ?   ?   509.340  221.387 0.000000 221.3865 
1 1 1    1   29    0 o  553.989  227.509   1.7003   6.3266   1.7003   6.3266   0.0000   0.0000  553.989  227.509  ?   ?  0.000000 227.5089 
1 1 1    1   29    2 o  519.104  211.239   1.7317   5.3918   1.3162   6.1219   3.1684   11.385  537.620  222.594  738.901  304.523 -201.2816 377.2032 
1 1 1    1   29    4 o  479.139  202.235   0.3977   5.2015   9.0668   5.8642 -31.5854   11.264  751.093  228.760  409.910  205.374 341.1837 307.4239 
1 1 1    1   29    6 o  327.215  154.304  -4.5837   4.1128   3.5080   6.0092 -11.7144   5.6411  586.386  227.986  323.467  159.104 262.9189 278.0140 
1 1 1    1   29    8 o  329.793  154.574  -4.0789   4.0181   2.6545   5.8239 -10.1958   5.5509  557.927  222.138  333.359  162.674 224.5674 275.3329 
1 1 1    1   29   10 o  651.394  196.475   6.8177   4.3412   12.019   6.2139   1.8583   6.0675  851.622  228.345  547.152  223.529 304.4697 319.5414 
1 1 1    1   29   12 o  890.404  186.311   13.074   5.0276   12.858   7.8532   13.223   6.5447  884.847  263.664  891.255  232.189 -6.407227 351.3266 
1 1 1    1   29   14 f  661.962  215.416   6.8141   5.1192  -5.1992   9.6260   11.552   6.0449  557.769  253.308  834.165  225.873 -276.3954 339.3867 
1 1 1    1   29   16 o  391.762  179.409  -3.3496   4.9602  -7.3579   9.3752  -1.7914   5.8454  521.975  241.762  461.015  204.233 60.95999 316.4810 
1 1 1    1   29   18 o  737.867  219.654   8.9046   5.4523   10.664   10.236   8.2077   6.4423  852.288  303.945  727.294  241.900 124.9937 388.4566 
1 1 1    1   29   20 o  641.216  196.040   6.6347   4.3010   7.6623   5.8768   5.4494   6.3115  700.270  230.950  643.106  237.350 57.16406 331.1691 
1 1 1    1   29   22 o  428.965  182.122   0.2187   4.2581  -3.1939   5.6925   4.5541   6.4161  428.127  194.571  620.756  237.082 -192.6291 306.7014 
1 1 1    1   29   24 o  515.934  202.342   2.6772   4.7648   1.1172   6.7517   4.2249   6.7253  550.569  231.289  619.734  241.122 -69.16492 334.1176 
1 1 1    1   29   26 o  420.792  185.887  -1.2543   4.8090  -8.5225   6.5188   7.4242   7.1231  392.059  187.546  710.046  253.521 -317.9873 315.3510 
1 1 1    1   29   28 o  389.988  175.384  -1.9501   4.4832  -2.4668   5.8112  -1.1905   7.0460  442.872  199.374  514.709  226.288 -71.83661 301.5899 
1 1 1    1   30    1 o  558.401  216.897   3.1655   5.4348  -0.2534   6.8315   9.0600   8.9700  532.749  228.537  800.617  284.640 -267.8682 365.0331 
1 1 1    1   30    3 o  833.161  223.204   11.457   5.9403   8.7581   6.7233   21.060   12.684  753.010  246.959  1126.04  334.978 -373.0326 416.1721 
1 1 1    1   30    5 o  700.633  245.750   7.0184   6.6669   7.0184   6.6669   0.0000   0.0000  700.633  245.750  ?   ?  0.000000 245.7497 
1 1 1    1   30    7 o  549.738  219.125   2.5340   5.6729  -0.4052   6.4442   12.655   11.958  514.107  221.283  930.728  328.888 -416.6213 396.4005 
1 1 1    1   30    9 o  572.519  203.506   4.5274   4.5850   8.4995   6.5519   0.7156   6.4184  741.679  243.818  535.525  225.266 206.1537 331.9515 
1 1 1    1   30   11 o  453.876  187.265   0.9982   4.3111   6.4267   5.8985  -5.2272   6.3167  665.670  231.285  428.048  198.324 237.6225 304.6724 
1 1 1    1   30   13 o  521.089  198.190   3.0808   4.4720  -3.6230   6.0709   11.034   6.6124  440.691  200.533  820.680  241.285 -379.9892 313.7383 
1 1 1    1   30   15 o  963.032  165.075   15.117   4.7987   20.235   6.5257   9.0912   7.0810  1110.94  194.690  765.623  253.557 345.3218 319.6801 
1 1 1    1   30   17 o  396.059  183.193  -4.3010   5.3562   9.4748   10.131  -9.6461   6.3104  826.175  301.351  373.462  180.130 452.7129 351.0826 
1 1 1    1   30   19 o  653.821  246.009   5.2857   6.8451   0.0000   0.0000   5.2857   6.8451  ?   ?   653.821  246.009 0.000000 246.0092 
1 1 1    1   30   21 o  519.771  223.119  -0.1049   6.5193   0.0000   0.0000  -0.1049   6.5193  ?   ?   519.771  223.119 0.000000 223.1194 
1 1 1    1   30   23 o  1050.26  237.249   18.629   7.6181   0.0000   0.0000   18.629   7.6181  ?   ?   1050.26  237.249 0.000000 237.2488 
1 1 1    1   30   25 o  467.101  194.734   0.9074   4.7317   4.8425   6.1360  -4.8658   7.4321  619.400  232.946  476.342  218.681 143.0579 319.5077 
1 1 1    1   31    0 o  540.156  244.243  -4.5858   8.8335   0.0000   0.0000  -4.5858   8.8335  ?   ?   540.156  244.243 0.000000 244.2434 
1 1 1    1   31    2 o  319.859  157.108 -11.0804   5.4389  -6.3489   6.8103 -19.4125   9.0373  435.513  203.180  403.981  199.222 31.53284 284.5546 
1 1 1    1   31    4 o  400.868  179.081  -1.9013   4.5911   3.0223   6.7553  -6.1278   6.2588  599.557  239.075  413.792  193.616 185.7646 307.6427 
1 1 1    1   31    6 o  914.622  205.114   13.816   5.7294   12.755   7.5762   15.233   8.7565  882.838  257.905  961.077  276.267 -78.23926 377.9403 
1 1 1    1   31    8 o  750.094  240.732   8.8187   6.4081   9.1882   7.2632   7.5207   13.613  773.972  256.822  864.831  341.100 -90.85840 426.9738 
1 1 1    1   31   10 o  737.196  234.403   8.5655   6.0863   7.5965   6.7744   12.622   13.861  719.187  247.976  959.462  352.108 -240.2755 430.6646 
1 1 1    1   31   12 o  975.237  249.945   15.859   7.6677   13.293   9.0760   22.254   14.331  908.597  285.947  1157.76  358.503 -249.1646 458.5733 
1 1 1    1   31   14 o  680.915  218.859   7.2527   5.2950   22.066   8.0614  -3.9874   7.0222  1153.96  231.160  476.423  216.360 677.5381 316.6169 
1 1 1    1   31   16 o  674.236  221.873   7.0070   5.4250  -4.8576   8.3852   15.549   7.1147  517.703  235.615  964.783  237.179 -447.0803 334.3181 
1 1 1    1   31   18 o  290.960  144.346 -11.9260   5.0090  -3.4330   7.3747 -19.1996   6.8247  498.190  224.408  319.263  159.944 178.9270 275.5738 
1 1 1    1   31   20 o  602.247  212.150   5.1703   4.9720   2.2593   6.7078   8.7199   7.4070  577.078  235.309  758.383  259.388 -181.3051 350.2172 
1 1 1    1   32    1 f  779.545  235.575   9.7706   6.2367   10.095   7.6795   9.1424   10.689  807.407  263.896  837.305  308.904 -29.89819 406.2790 
1 1 1    1   32    3 o  685.875  225.293   7.1947   5.5945   3.7870   7.8989   10.625   7.9248  653.359  259.153  825.557  267.992 -172.1989 372.8000 
1 1 1    1   32    5 o  448.573  196.471  -1.1803   5.2676   12.992   7.4995 -14.9817   7.4006  890.354  255.593  373.324  183.348 517.0300 314.5538 
1 1 1    1   32    7 o  560.878  220.736   2.9160   5.6891   1.0895   7.6094   5.2309   8.5665  587.742  246.151  703.432  272.565 -115.6899 367.2631 
1 1 1    1   32    9 o  763.092  233.198   9.3389   6.0868   9.2901   10.234   9.3656   7.5717  830.400  302.881  784.340  262.285 46.06042 400.6624 
1 1 1    1   32   11 o  919.469  213.515   13.995   6.0294   17.087   9.1035   11.579   8.0475  1013.44  278.349  852.445  269.375 160.9952 387.3512 
1 1 1    1   32   13 o  858.297  266.582   11.855   7.9176   3.8359   9.2277   34.236   15.416  691.203  278.095  1416.85  349.616 -725.6486 446.7306 
1 1 1    1   33    0 o  638.489  235.098   5.1818   6.1866   4.9093   7.7346   5.6658   10.308  674.472  259.648  758.544  297.568 -84.07202 394.9229 
1 1 1    1   33    2 o  758.984  228.609   9.2502   5.8803   12.916   8.2207   5.4092   8.4148  894.218  270.516  704.337  270.911 189.8812 382.8469 
1 1 1    2    0    8 o  6490.20  316.675  670.660   64.007  670.660   64.007  670.660   64.007  6490.20  316.675  6490.20  316.675 -0.000000 0.000000 
1 1 1    2    0   10 o  1313.67   93.066   27.449   3.7840   27.449   3.7840   27.449   3.7840  1313.67   93.066  1313.67   93.066 -0.000000 0.000000 
1 1 1    2    0   12 o  1127.31   92.190   20.316   3.2041   20.316   3.2041   20.316   3.2041  1127.31   92.190  1127.31   92.190 -0.000000 0.000000 
1 1 1    2    0   14 o  4304.94  159.699  292.772   21.460  292.772   21.460  292.772   21.460  4304.94  159.699  4304.94  159.699 -0.000000 0.000000 
1 1 1    2    0   16 f  421.833  159.910   3.7868   1.9828   3.7868   1.9828   3.7868   1.9828  421.833  159.910  421.833  159.910 -0.000000 0.000000 
1 1 1    2    0   18 o  488.689  167.866   4.8854   2.3098   4.8854   2.3098   4.8854   2.3098  488.689  167.866  488.689  167.866 -0.000000 0.000000 
1 1 1    2    0   20 o  2919.01  179.751  136.315   16.287  136.315   16.287  136.315   16.287  2919.01  179.751  2919.01  179.751 -0.000000 0.000000 
1 1 1    2    0   22 o  2193.67  158.229   77.198   10.739   77.198   10.739   77.198   10.739  2193.67  158.229  2193.67  158.229 -0.000000 0.000000 
1 1 1    2    0   26 o  576.054  173.883   6.5085   2.7353   6.5085   2.7353   6.5085   2.7353  576.054  173.883  576.054  173.883 -0.000000 0.000000 
1 1 1    2    0   30 o  1228.78  151.155   25.103   5.5798   25.103   5.5798   25.103   5.5798  1228.78  151.155  1228.78  151.155 -0.000000 0.000000 
1 1 1    2    0   32 o  706.279  197.039   9.6260   3.7701   9.6260   3.7701   9.6260   3.7701  706.279  197.039  706.279  197.039 -0.000000 0.000000 
1 1 1    2    0   42 o  997.740  188.363   17.540   5.2728   17.540   5.2728   17.540   5.2728  997.740  188.363  997.740  188.363 -0.000000 0.000000 
1 1 1    2    0   44 o  2894.46  186.309  136.812   16.725  136.812   16.725  136.812   16.725  2894.46  186.309  2894.46  186.309 -0.000000 0.000000 
1 1 1    2    0   48 o  1363.55  176.593   31.322   7.1912   31.322   7.1912   31.322   7.1912  1363.55  176.593  1363.55  176.593 -0.000000 0.000000 
1 1 1    2    0   50 o  2547.08  181.242  106.885   14.287  106.885   14.287  106.885   14.287  2547.08  181.242  2547.08  181.242 -0.000000 0.000000 
1 1 1    2    0   52 o  806.633  260.671   13.762   5.8174   13.762   5.8174   13.762   5.8174  806.633  260.671  806.633  260.671 -0.000000 0.000000 
1 1 1    2    0   56 o  925.682  266.390   17.880   6.6964   17.880   6.6964   17.880   6.6964  925.682  266.390  925.682  266.390 -0.000000 0.000000 
1 1 1    2    0   58 o  1954.20  188.120   66.227   11.266   66.227   11.266   66.227   11.266  1954.20  188.120  1954.20  188.120 -0.000000 0.000000 
1 1 1    2    1    9 o  3388.48  127.637  180.424   13.543  237.717   19.159  123.216   19.145  3885.73  157.466  2781.42  221.661 1104.309 271.8990 
1 1 1    2    1   11 o  1583.95   98.024   39.535   4.8378   37.847   6.8386   41.226   6.8449  1543.89  143.086  1612.81  136.831 -68.91992 197.9806 
1 1 1    2    1   13 o  3173.08  105.432  158.313   10.475  167.860   18.159  153.551   12.824  3249.50  179.163  3121.33  131.212 128.1604 222.0721 
1 1 1    2    1   15 f  2719.45   96.950  116.379   8.2555  115.435   10.107  118.272   14.310  2704.84  119.334  2722.44  168.697 -17.59375 206.6381 
1 1 1    2    1   17 o  2514.41  115.538   99.943   9.0965   0.0000   0.0000   99.943   9.0965  ?   ?   2514.41  115.538 0.000000 115.5376 
1 1 1    2    1   19 o  2340.12   91.789   86.345   6.7259   84.848   11.660   87.091   8.2338  2296.97  163.174  2346.16  112.080 -49.18970 197.9589 
1 1 1    2    1   21 o  850.748   94.538   11.567   2.4758   11.773   3.5471   11.371   3.4573  848.992  138.182  834.318  137.101 14.67401 194.6564 
1 1 1    2    1   23 o  1088.19  138.616   19.258   4.6159   19.258   4.6159   0.0000   0.0000  1088.19  138.616  ?   ?  0.000000 138.6162 
1 1 1    2    1   25 o  1433.13  142.749   33.584   6.3206   33.584   6.3206   0.0000   0.0000  1433.13  142.749  ?   ?  0.000000 142.7493 
1 1 1    2    1   27 o  3270.22  203.956  184.826   20.781  184.826   20.781   0.0000   0.0000  3270.22  203.956  ?   ?  0.000000 203.9558 
1 1 1    2    1   31 o  1071.86  151.549   19.714   4.9445   0.0000   0.0000   19.714   4.9445  ?   ?   1071.86  151.549 0.000000 151.5489 
1 1 1    2    1   33 o  957.365  108.815   15.242   3.2040   15.045   4.6095   15.427   4.4568  917.164  166.642  934.784  157.886 -17.62036 229.5594 
1 1 1    2    1   35 o  2128.69  116.866   76.407   7.7598   70.089   11.009   82.645   10.939  1941.19  183.287  2141.34  164.406 -200.1483 246.2182 
1 1 1    2    1   37 o  865.352  181.174   14.311   4.7517   14.311   4.7517   0.0000   0.0000  865.352  181.174  ?   ?  0.000000 181.1737 
1 1 1    2    1   39 o  3573.97  267.495  281.993   29.718  281.993   29.718   0.0000   0.0000  3573.97  267.495  ?   ?  0.000000 267.4951 
1 1 1    2    1   41 o  2775.50  211.079  153.346   18.207  153.346   18.207   0.0000   0.0000  2775.50  211.079  ?   ?  0.000000 211.0791 
1 1 1    2    1   43 f  648.291  201.193   8.8186   4.5108   8.8186   4.5108   0.0000   0.0000  648.291  201.193  ?   ?  0.000000 201.1934 
1 1 1    2    1   45 o  1631.69  180.406   52.916   9.0632   52.916   9.0632   0.0000   0.0000  1631.69  180.406  ?   ?  0.000000 180.4064 
1 1 1    2    1   47 o  787.878  209.567   14.207   5.2601   0.0000   0.0000   14.207   5.2601  ?   ?   787.878  209.567 0.000000 209.5672 
1 1 1    2    1   49 o  743.388  227.845   15.225   5.8056   15.225   5.8056   0.0000   0.0000  743.388  227.845  ?   ?  0.000000 227.8446 
1 1 1    2    1   51 o  445.702  172.226   5.4475   3.4130   6.1538   5.1000   4.8746   4.5931  434.769  191.777  413.175  182.137 21.59451 264.4851 
1 1 1    2    1   53 o  723.635  194.615   17.516   4.5057   9.7628   6.5311   24.557   6.2239  391.658  187.451  707.586  237.793 -315.9281 302.7929 
1 1 1    2    1   55 o  557.572  246.648   41.021   8.4951   0.0000   0.0000   41.021   8.4951  ?   ?   557.572  246.648 0.000000 246.6485 
1 1 1    2    1   57 o  1050.95  253.012   72.543   8.2261   79.189   11.758   66.173   11.512  426.171  212.970  382.220  193.393 43.95178 287.6755 
1 1 1    2    1   59 o  ?   ?    38.978   9.3820   38.978   9.3820   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2    2    8 o  181.054   40.879   0.5339   0.2263   0.0000   0.0000   0.5339   0.2263  ?   ?   181.054   40.879 0.000000 40.87891 
1 1 1    2    2   10 o  8767.68  291.716  1229.83   80.087  1184.07  113.256  1275.60  113.264  8490.38  427.376  8838.30  409.267 -347.9111 591.7349 
1 1 1    2    2   12 o  1864.20  102.991   54.772   5.9886   57.743   8.4724   51.806   8.4658  1908.56  142.805  1805.81  151.108 102.7435 207.9108 
1 1 1    2    2   14 o  2669.85  118.943  112.359   9.9436  112.887   14.063  111.831   14.061  2661.68  169.622  2648.92  170.433 12.75879 240.4557 
1 1 1    2    2   16 o  977.435  136.501   15.421   4.0637   15.421   4.0637   0.0000   0.0000  977.435  136.501  ?   ?  0.000000 136.5009 
1 1 1    2    2   18 o  2520.71  116.213  100.553   9.1727  104.272   12.974   96.836   12.970  2548.76  163.428  2453.41  169.878 95.34937 235.7275 
1 1 1    2    2   20 o  2355.95  112.551   87.889   8.3030   97.270   11.750   78.535   11.734  2462.28  153.163  2204.67  171.321 257.6069 229.8034 
1 1 1    2    2   22 o  1449.81  142.135   33.934   6.3695   33.934   6.3695   0.0000   0.0000  1449.81  142.135  ?   ?  0.000000 142.1345 
1 1 1    2    2   28 o  732.583  149.965   9.2004   3.3242   0.0000   0.0000   9.2004   3.3242  ?   ?   732.583  149.965 0.000000 149.9649 
1 1 1    2    2   30 o  2309.61  117.494   87.426   8.4691   84.135   12.060   90.628   11.896  2205.53  176.094  2301.18  166.215 -95.64355 242.1497 
1 1 1    2    2   32 o  912.339  106.184   13.755   2.9767   17.819   4.4011   10.329   4.0412  1020.71  141.509  756.509  174.199 264.1983 224.4327 
1 1 1    2    2   34 o  1661.37  108.905   45.891   5.6341   44.861   8.0949   46.859   7.8465  1584.11  165.647  1630.97  155.527 -46.86646 227.2165 
1 1 1    2    2   36 o  357.897  133.107   1.8819   1.9925   5.7018   3.1411  -0.6903   2.5775  552.148  167.256  295.992  133.060 256.1559 213.7275 
1 1 1    2    2   38 o  1477.29  111.626   36.780   5.1254   31.936   7.3971   41.253   7.1084  1297.42  187.521  1521.55  151.203 -224.1289 240.8867 
1 1 1    2    2   40 o  1546.91  168.390   43.820   8.0246   43.820   8.0246   0.0000   0.0000  1546.91  168.390  ?   ?  0.000000 168.3900 
1 1 1    2    2   42 o  3251.93  251.700  232.993   25.430  232.993   25.430   0.0000   0.0000  3251.93  251.700  ?   ?  0.000000 251.7003 
1 1 1    2    2   44 o  1390.29  182.719   38.052   7.7618   38.052   7.7618   0.0000   0.0000  1390.29  182.719  ?   ?  0.000000 182.7195 
1 1 1    2    2   48 o  2014.08  209.405   92.549   13.013   92.549   13.013   0.0000   0.0000  2014.08  209.405  ?   ?  0.000000 209.4046 
1 1 1    2    2   50 o  2170.81  336.177  193.100   22.112  193.100   22.112   0.0000   0.0000  2170.81  336.177  ?   ?  0.000000 336.1773 
1 1 1    2    2   52 o  1967.14  153.900   93.712   9.4041   86.415   13.485  100.621   13.121  1110.58  348.393  1509.05  288.194 -398.4674 452.1430 
1 1 1    2    2   54 o  825.159  198.736   24.569   5.0737   24.484   7.6240   24.637   6.7976  479.396  220.601  550.690  231.745 -71.29449 319.9537 
1 1 1    2    2   58 o  778.621  278.965   76.332   8.6318   66.801   12.387   85.327   12.035  ?   ?   373.129  189.694 0.000000 189.6940 
1 1 1    2    2   60 o  244.518  124.004   11.070   4.9194   6.8933   7.5637   14.132   6.4764  ?   ?   ?   ?  0.000000      ? 
1 1 1    2    3    7 o  2248.25   45.749   79.172   3.2207  164.279   4.6382  -0.0742   4.4756  3238.56   45.738  436.211  185.994 2802.346 191.5349 
1 1 1    2    3    9 o  1637.82   99.248   42.252   5.0658   42.523   7.1692   41.982   7.1592  1638.05  141.152  1627.41  141.911 10.63843 200.1564 
1 1 1    2    3   11 o  2768.47  172.985  121.584   14.920   0.0000   0.0000  121.584   14.920  ?   ?   2768.47  172.985 0.000000 172.9849 
1 1 1    2    3   13 o  2235.66  109.727   78.667   7.6814   79.237   10.869   78.099   10.857  2232.39  156.477  2216.00  157.497 16.38989 222.0147 
1 1 1    2    3   15 o  2447.96  114.447   94.554   8.7726   95.985   12.408   93.124   12.404  2451.64  162.558  2413.93  165.099 37.70654 231.6959 
1 1 1    2    3   17 o  667.379  139.611   7.3320   2.8237   0.0000   0.0000   7.3320   2.8237  ?   ?   667.379  139.611 0.000000 139.6110 
1 1 1    2    3   19 o  3134.72  188.556  158.967   18.422   0.0000   0.0000  158.967   18.422  ?   ?   3134.72  188.556 0.000000 188.5564 
1 1 1    2    3   21 o  2488.74  167.632  100.092   12.987   0.0000   0.0000  100.092   12.987  ?   ?   2488.74  167.632 0.000000 167.6317 
1 1 1    2    3   25 f  1561.86  146.941   40.012   7.1018   40.012   7.1018   0.0000   0.0000  1561.86  146.941  ?   ?  0.000000 146.9411 
1 1 1    2    3   27 o  3249.21  203.993  182.928   20.649  182.928   20.649   0.0000   0.0000  3249.21  203.993  ?   ?  0.000000 203.9932 
1 1 1    2    3   29 o  790.473  171.301   10.973   4.1175   10.973   4.1175   0.0000   0.0000  790.473  171.301  ?   ?  0.000000 171.3014 
1 1 1    2    3   31 o  526.012  176.027   4.7080   3.4104   4.7080   3.4104   0.0000   0.0000  526.012  176.027  ?   ?  0.000000 176.0268 
1 1 1    2    3   33 o  2028.04  169.687   72.763   10.677   72.763   10.677   0.0000   0.0000  2028.04  169.687  ?   ?  0.000000 169.6871 
1 1 1    2    3   35 o  1262.05  167.750   28.981   6.4649   28.981   6.4649   0.0000   0.0000  1262.05  167.750  ?   ?  0.000000 167.7504 
1 1 1    2    3   37 o  2000.94  176.195   74.040   10.927   74.040   10.927   0.0000   0.0000  2000.94  176.195  ?   ?  0.000000 176.1951 
1 1 1    2    3   39 o  1486.26  110.368   37.064   5.0996   37.028   7.4741   37.095   6.9757  1421.85  171.325  1439.10  157.367 -17.24915 232.6296 
1 1 1    2    3   41 o  2170.57  185.222   89.014   12.468   89.014   12.468   0.0000   0.0000  2170.57  185.222  ?   ?  0.000000 185.2224 
1 1 1    2    3   43 o  1445.21  180.425   40.262   7.9869   40.262   7.9869   0.0000   0.0000  1445.21  180.425  ?   ?  0.000000 180.4254 
1 1 1    2    3   47 o  1831.47  196.730   71.375   11.105   71.375   11.105   0.0000   0.0000  1831.47  196.730  ?   ?  0.000000 196.7303 
1 1 1    2    3   49 o  490.728  155.513   5.1131   2.6807   4.0669   5.2714   5.4781   3.1133  447.275  196.206  496.743  168.174 -49.46750 258.4173 
1 1 1    2    3   51 o  590.307  160.567   8.4492   3.0466   9.6103   5.7068   7.9864   3.6030  490.563  209.617  530.980  180.912 -40.41705 276.8905 
1 1 1    2    3   53 o  514.737  148.404   7.0783   2.5234   4.3921   6.0299   7.6486   2.7783  342.405  167.611  517.402  157.431 -174.9973 229.9521 
1 1 1    2    3   55 f  814.682  177.446   22.522   4.3984   24.310   7.4986   21.584   5.4308  428.383  203.872  578.552  218.799 -150.1689 299.0597 
1 1 1    2    3   57 o  741.821  186.348   23.875   4.3229   0.0000   0.0000   23.875   4.3229  ?   ?   741.821  186.348 0.000000 186.3476 
1 1 1    2    3   59 o  1137.15  158.675   52.268   5.4960   55.501   11.471   51.305   6.2614  ?   ?   802.393  234.476 0.000000 234.4764 
1 1 1    2    4    4 o  5009.50   18.162  392.920   2.8489  1132.71   4.8365  -0.1224   3.5253  8505.54   18.160  385.822  164.803 8119.723 165.8010 
1 1 1    2    4    6 o  561.255   91.321   5.0678   1.5497   10.491   2.1952  -0.3210   2.1881  813.250   87.585  296.025  128.175 517.2247 155.2415 
1 1 1    2    4    8 o  2206.72  108.753   76.461   7.5146   78.809   10.633   74.117   10.622  2232.03  153.057  2163.52  157.881 68.50781 219.8926 
1 1 1    2    4   10 o  6370.13  314.103  654.683   62.652   0.0000   0.0000  654.683   62.652  ?   ?   6370.13  314.103 0.000000 314.1031 
1 1 1    2    4   12 o  3325.38  134.294  174.430   13.983  167.170   19.772  181.695   19.779  3236.18  196.047  3376.92  187.795 -140.7422 271.4804 
1 1 1    2    4   14 o  2489.57  165.606   98.943   12.836   0.0000   0.0000   98.943   12.836  ?   ?   2489.57  165.606 0.000000 165.6064 
1 1 1    2    4   16 o  1350.34  139.537   29.235   5.8149   0.0000   0.0000   29.235   5.8149  ?   ?   1350.34  139.537 0.000000 139.5366 
1 1 1    2    4   18 o  2257.78  160.055   81.814   11.242   0.0000   0.0000   81.814   11.242  ?   ?   2257.78  160.055 0.000000 160.0554 
1 1 1    2    4   20 o  1481.79   99.882   34.844   4.6073   33.283   6.5293   36.393   6.5023  1436.74  147.214  1505.11  139.557 -68.37244 202.8501 
1 1 1    2    4   22 o  3393.38  138.148  184.256   14.679  183.387   20.750  185.125   20.768  3341.61  199.220  3358.10  198.385 -16.49365 281.1499 
1 1 1    2    4   24 o  2046.60  157.428   68.556   10.011   68.556   10.011   0.0000   0.0000  2046.60  157.428  ?   ?  0.000000 157.4282 
1 1 1    2    4   26 o  1083.78  145.126   19.540   4.8013   19.540   4.8013   0.0000   0.0000  1083.78  145.126  ?   ?  0.000000 145.1263 
1 1 1    2    4   28 o  705.184  159.447   8.6213   3.4381   8.6213   3.4381   0.0000   0.0000  705.184  159.447  ?   ?  0.000000 159.4465 
1 1 1    2    4   30 o  249.973   78.205   0.9907   0.6800   13.581   2.9285   0.2732   0.6991  910.202  104.658  190.236   76.543 719.9668 129.6613 
1 1 1    2    4   32 o  698.010   58.106   7.7793   1.2585   50.893   3.3520   0.7051   1.3578  1790.55   59.785  270.742  107.427 1519.804 122.9429 
1 1 1    2    4   34 o  559.346   72.802   5.1032   1.2449   42.410   3.5280  -0.2024   1.3304  1626.72   69.262  225.225   98.691 1401.499 120.5697 
1 1 1    2    4   36 o  652.830   82.600   7.0183   1.6507   31.411   3.7957   1.3291   1.8331  1384.84   87.991  325.571  126.104 1059.268 153.7681 
1 1 1    2    4   38 o  1121.01  100.310   20.865   3.4838   26.552   5.6196   17.316   4.4400  1225.48  149.549  988.480  148.001 237.0030 210.4028 
1 1 1    2    4   40 o  833.975  102.252   11.654   2.6142   21.532   4.7125   7.2619   3.1421  1109.69  138.646  627.091  159.612 482.6032 211.4208 
1 1 1    2    4   42 o  1432.97  112.942   34.891   5.0266   32.360   7.6918   36.778   6.6408  1283.77  197.691  1429.31  150.650 -145.5396 248.5507 
1 1 1    2    4   44 f  1430.64  112.008   35.146   4.9776   36.284   7.7273   34.339   6.5075  1354.79  187.150  1360.86  155.508 -6.071167 243.3268 
1 1 1    2    4   46 o  2846.59  140.077  147.723   12.486  149.256   17.948  146.286   17.381  2594.31  223.106  2591.32  216.177 2.985352 310.6585 
1 1 1    2    4   48 o  1362.67  131.519   34.484   5.5420   20.445   8.5569   44.628   7.2737  782.199  278.017  1503.38  156.822 -721.1759 319.1974 
1 1 1    2    4   50 o  1602.41  129.363   50.715   6.4355   45.921   9.7585   54.404   8.5609  1171.35  271.377  1510.61  184.846 -339.2511 328.3498 
1 1 1    2    4   52 o  1162.13  383.674  118.815   16.218  118.815   16.218   0.0000   0.0000  1162.13  383.674  ?   ?  0.000000 383.6737 
1 1 1    2    4   54 o  715.287  186.798   17.624   4.2293   12.188   8.1069   19.656   4.9573  355.042  177.337  667.865  211.461 -312.8224 275.9790 
1 1 1    2    4   56 o  581.415  269.521   84.417   11.688   0.0000   0.0000   84.417   11.688  ?   ?   581.415  269.521 0.000000 269.5212 
1 1 1    2    4   58 o  997.284  181.841   43.124   5.4692   0.0000   0.0000   43.124   5.4692  ?   ?   997.284  181.841 0.000000 181.8413 
1 1 1    2    4   60 o  595.833  220.427   39.917   5.4500   0.0000   0.0000   39.917   5.4500  ?   ?   595.833  220.427 0.000000 220.4269 
1 1 1    2    5    1 f  5304.26   39.303  440.622   6.5278  904.906   9.4846   22.756   8.9980  7601.36   39.848  1176.50  251.853 6424.858 254.9862 
1 1 1    2    5    3 o  8093.36  139.034  1029.54   35.234  1784.02   49.913  280.096   49.746 10650.56  149.665  4150.71  387.222 6499.854 415.1391 
1 1 1    2    5    5 o  3963.03  149.268  247.097   18.523  231.302   26.188  262.910   26.203  3817.23  220.027  4073.81  206.086 -256.5789 301.4690 
1 1 1    2    5    7 o  9763.19  324.377  1532.47   99.165  1503.00  140.237  1561.95  140.245  9532.85  469.810  9728.28  460.398 -195.4297 657.7898 
1 1 1    2    5    9 o  1029.95   96.000   16.800   3.0603   19.025   4.2807   14.475   4.3768  1092.20  127.573  946.244  152.937 145.9559 199.1602 
1 1 1    2    5   11 o  3971.29  154.180  249.364   19.172  263.011   27.083  235.655   27.145  4054.78  214.068  3832.33  227.222 222.4473 312.1779 
1 1 1    2    5   13 o  3396.60  196.225  184.966   20.781   0.0000   0.0000  184.966   20.781  ?   ?   3396.60  196.225 0.000000 196.2255 
1 1 1    2    5   15 o  1491.21   99.378   35.198   4.6137   33.559   6.5365   36.826   6.5132  1446.65  146.312  1517.84  138.568 -71.19897 201.5150 
1 1 1    2    5   17 o  2439.99  165.440   95.538   12.565   95.538   12.565   0.0000   0.0000  2439.99  165.440  ?   ?  0.000000 165.4403 
1 1 1    2    5   19 o  566.840  149.418   5.3109   2.6896   0.0000   0.0000   5.3109   2.6896  ?   ?   566.840  149.418 0.000000 149.4181 
1 1 1    2    5   21 o  2428.73  115.186   93.655   8.7598  100.250   12.402   87.088   12.374  2492.17  159.771  2316.67  171.810 175.5017 234.6176 
1 1 1    2    5   23 o  2200.71  112.050   77.398   7.6958   81.182   10.897   73.632   10.870  2232.59  156.871  2121.42  164.938 111.1687 227.6245 
1 1 1    2    5   25 o  2663.61  178.529  118.605   14.804  118.605   14.804   0.0000   0.0000  2663.61  178.529  ?   ?  0.000000 178.5291 
1 1 1    2    5   27 o  3320.64  208.350  192.268   21.554  192.268   21.554   0.0000   0.0000  3320.64  208.350  ?   ?  0.000000 208.3496 
1 1 1    2    5   29 o  395.727  147.493   2.1210   2.4491   2.1210   2.4491   0.0000   0.0000  395.727  147.493  ?   ?  0.000000 147.4927 
1 1 1    2    5   31 o  1426.05  159.265   34.979   6.9902   34.979   6.9902   0.0000   0.0000  1426.05  159.265  ?   ?  0.000000 159.2646 
1 1 1    2    5   33 o  181.679   62.523   0.4804   0.4306   31.832   3.3089  -0.0596   0.4342  1406.37   75.413  131.430   57.004 1274.940 94.53323 
1 1 1    2    5   35 o  236.064   72.412   0.8997   0.5863   31.350   3.5548   0.0483   0.5944  1388.86   82.105  161.505   68.277 1227.355 106.7844 
1 1 1    2    5   37 o  170.777   68.089   0.2487   0.5479   25.293   3.6155  -0.3399   0.5543  1240.02   93.809  132.676   60.458 1107.341 111.6031 
1 1 1    2    5   39 o  363.804  103.809   2.2472   1.2407   13.057   4.0722   1.1411   1.3026  850.526  158.746  290.004  107.670 560.5220 191.8152 
1 1 1    2    5   41 o  349.004  100.041   2.0702   1.1497   29.165   4.0874  -0.2576   1.1981  1325.01   99.239  210.359   92.862 1114.646 135.9102 
1 1 1    2    5   43 o  1588.76   85.616   41.558   4.2435   75.592   7.0329   22.074   5.3213  2116.43  106.464  1091.34  160.514 1025.085 192.6119 
1 1 1    2    5   45 o  1282.39  117.760   28.640   4.6758   24.692   7.4859   31.165   5.9874  1046.67  234.255  1299.18  149.934 -252.5070 278.1288 
1 1 1    2    5   47 o  1011.41  116.604   18.141   3.6252   21.532   6.4480   16.574   4.3836  975.293  216.762  925.283  156.906 50.00989 267.5913 
1 1 1    2    5   49 o  2046.39  122.360   78.155   7.8046   90.031   12.040   69.549   10.249  1957.63  199.195  1744.91  190.694 212.7207 275.7590 
1 1 1    2    5   51 o  759.959  281.684   31.731   8.9085   31.731   8.9085   0.0000   0.0000  759.959  281.684  ?   ?  0.000000 281.6840 
1 1 1    2    5   53 o  1087.09  239.091   47.237   7.9172   0.0000   0.0000   47.237   7.9172  ?   ?   1087.09  239.091 0.000000 239.0912 
1 1 1    2    5   55 o  642.182  218.107   22.363   5.2366   0.0000   0.0000   22.363   5.2366  ?   ?   642.182  218.107 0.000000 218.1075 
1 1 1    2    5   57 o  332.741  145.545   5.8089   2.8823   8.7865   8.4128   5.4129   3.0679  ?   ?   313.612  142.648 0.000000 142.6482 
1 1 1    2    5   59 o  835.150  296.279  106.491   9.7136  130.148   15.308   90.545   12.568  ?   ?   ?   ?  0.000000      ? 
1 1 1    2    6    0 o 11772.23  569.976  2321.11  210.103   0.0000   0.0000  2321.11  210.103  ?   ?  11772.23  569.976 0.000000 569.9764 
1 1 1    2    6    2 o  3610.08  141.120  204.949   15.952  209.534   22.558  200.363   22.562  3637.04  198.828  3555.33  203.513 81.71191 284.5175 
1 1 1    2    6    4 o  4342.90  158.766  297.098   21.590  272.196   30.522  322.038   30.545  4135.07  236.709  4509.77  216.303 -374.6987 320.6526 
1 1 1    2    6    6 o  3836.93  145.866  231.856   17.525  221.611   24.765  242.131   24.802  3733.02  212.751  3905.05  203.543 -172.0310 294.4362 
1 1 1    2    6    8 o  1366.21   96.831   29.462   4.1155   30.875   5.7932   28.023   5.8477  1393.67  134.418  1325.69  143.144 67.98340 196.3629 
1 1 1    2    6   10 o  912.342   77.223   13.158   2.1854   13.998   2.6624   11.423   3.8260  939.449   91.676  837.491  151.472 101.9584 177.0547 
1 1 1    2    6   12 o  2033.57   87.056   65.010   5.5434   65.137   6.7808   64.753   9.6253  2030.68  107.018  2015.24  153.695 15.43726 187.2835 
1 1 1    2    6   14 o  1616.53   84.781   41.214   4.2765   44.183   5.2299   35.224   7.4290  1671.50  100.389  1478.73  163.161 192.7731 191.5712 
1 1 1    2    6   16 o  3438.03  138.403  187.595   14.900  193.261   21.070  181.928   21.072  3461.47  195.195  3354.91  201.522 106.5637 280.5574 
1 1 1    2    6   18 o  1890.31  105.684   56.623   6.2304   54.858   8.8144   58.387   8.8079  1848.18  153.705  1908.62  148.549 -60.44434 213.7567 
1 1 1    2    6   22 o  2719.98  177.456  121.147   15.031  121.147   15.031   0.0000   0.0000  2719.98  177.456  ?   ?  0.000000 177.4562 
1 1 1    2    6   24 o  2724.61  180.229  123.583   15.289  123.583   15.289   0.0000   0.0000  2724.61  180.229  ?   ?  0.000000 180.2287 
1 1 1    2    6   26 o  1775.47  106.416   50.831   5.8889   54.029   8.3452   47.659   8.3112  1806.09  148.891  1689.17  159.005 116.9159 217.8331 
1 1 1    2    6   28 o  680.507  167.286   8.0821   3.5395   8.0821   3.5395   0.0000   0.0000  680.507  167.286  ?   ?  0.000000 167.2860 
1 1 1    2    6   30 o  1679.40  156.035   47.893   8.1115   47.893   8.1115   0.0000   0.0000  1679.40  156.035  ?   ?  0.000000 156.0346 
1 1 1    2    6   32 o  2417.30  182.614  103.992   13.720  103.992   13.720   0.0000   0.0000  2417.30  182.614  ?   ?  0.000000 182.6140 
1 1 1    2    6   34 o  1051.14  179.486   20.267   5.6954   20.267   5.6954   0.0000   0.0000  1051.14  179.486  ?   ?  0.000000 179.4859 
1 1 1    2    6   36 o  1528.00  172.439   42.194   8.1061   42.194   8.1061   0.0000   0.0000  1528.00  172.439  ?   ?  0.000000 172.4393 
1 1 1    2    6   38 o  3729.05  264.272  290.995   30.658  290.995   30.658   0.0000   0.0000  3729.05  264.272  ?   ?  0.000000 264.2725 
1 1 1    2    6   40 o  248.673   82.243   0.9638   0.7451   15.292   4.0263   0.4558   0.7582  933.127  142.301  207.930   80.942 725.1973 163.7113 
1 1 1    2    6   42 o  221.458   83.598   0.6089   0.7919   3.4878   4.3809   0.5117   0.8051  478.333  191.909  215.387   83.532 262.9460 209.3002 
1 1 1    2    6   44 o  220.568   83.116   0.6162   0.7819   34.178   5.5582  -0.0614   0.7898  1395.19  128.678  177.344   76.896 1217.851 149.9033 
1 1 1    2    6   46 o  280.364  101.778   1.1728   1.1536   14.039   5.9272   0.6663   1.1761  774.450  228.654  250.655   99.815 523.7953 249.4912 
1 1 1    2    6   48 o  ?   ?   -2.0706   0.3225   0.0000   0.0000  -2.0706   0.3225  ?   ?   ?   ?  0.000000      ? 
1 1 1    2    6   52 o  1288.99  130.495   36.549   5.1944   47.829   9.4093   31.604   6.2296  949.650  289.889  1019.02  202.374 -69.36877 353.5402 
1 1 1    2    6   54 o  1005.86  146.298   26.487   4.4727   41.943   9.1917   21.693   5.1198  603.522  262.009  718.125  212.640 -114.6025 337.4381 
1 1 1    2    6   56 o  177.007   85.542  -0.9391   1.4402   12.266   8.2369  -1.3555   1.4627  ?   ?   169.894   83.035 0.000000 83.03508 
1 1 1    2    6   58 o  395.007  173.490   13.959   4.1326   0.0000   0.0000   13.959   4.1326  ?   ?   395.007  173.490 0.000000 173.4895 
1 1 1    2    7    1 o  4888.53  175.580  377.240   26.876  352.273   38.009  402.207   38.009  4694.48  259.578  5029.41  241.354 -334.9336 354.4467 
1 1 1    2    7    3 o  6013.59  207.688  573.226   39.108  551.644   55.300  594.819   55.314  5851.75  302.837  6090.33  290.050 -238.5815 419.3320 
1 1 1    2    7    5 o  1063.55   76.525   17.834   2.5314   17.460   3.0957   18.589   4.3978  1050.24   95.169  1078.56  133.040 -28.31543 163.5752 
1 1 1    2    7    7 o  1857.53  103.860   54.409   6.0167   52.633   8.5014   56.191   8.5164  1819.64  150.559  1881.40  145.698 -61.76392 209.5139 
1 1 1    2    7    9 o  2505.34   94.825   98.675   7.4389  100.441   9.1027   95.124   12.907  2525.21  115.122  2443.18  169.770 82.03394 205.1216 
1 1 1    2    7   11 o  2442.12   94.051   93.826   7.1920   93.903   8.7989   93.669   12.484  2440.19  115.157  2422.46  165.569 17.73022 201.6780 
1 1 1    2    7   13 o  3326.48  112.319  174.617   11.699  179.559   14.320  164.697   20.288  3367.10  135.821  3195.97  203.793 171.1392 244.9063 
1 1 1    2    7   15 o  2134.28   45.106   71.416   3.0144  149.164   4.3647   0.5095   4.1682  3084.51   45.191  432.482  181.707 2652.025 187.2425 
1 1 1    2    7   17 o  1634.50   31.449   41.859   1.6096  167.924   3.2199  -0.1346   1.8584  3273.76   31.411  276.698  118.961 2997.058 123.0384 
1 1 1    2    7   19 f  671.433  155.634   7.4978   3.2082   7.4978   3.2082   0.0000   0.0000  671.433  155.634  ?   ?  0.000000 155.6342 
1 1 1    2    7   21 o  1913.00  154.380   59.351   9.1687   0.0000   0.0000   59.351   9.1687  ?   ?   1913.00  154.380 0.000000 154.3795 
1 1 1    2    7   23 o  2255.51  113.676   81.590   8.0026   87.115   11.344   76.117   11.291  2305.64  158.086  2147.53  169.281 158.1069 231.6192 
1 1 1    2    7   25 o  1206.12  103.451   23.461   3.8692   24.153   5.5082   22.788   5.4362  1205.58  149.092  1169.24  152.082 36.34338 212.9727 
1 1 1    2    7   27 o  1042.29  105.480   17.643   3.3951   19.808   4.8711   15.598   4.7347  1087.75  146.760  955.570  164.155 132.1785 220.1942 
1 1 1    2    7   29 o  1893.44  160.779   60.687   9.4422   60.687   9.4422   0.0000   0.0000  1893.44  160.779  ?   ?  0.000000 160.7795 
1 1 1    2    7   31 o  1373.51  156.001   32.408   6.5903   32.408   6.5903   0.0000   0.0000  1373.51  156.001  ?   ?  0.000000 156.0010 
1 1 1    2    7   33 o  731.887  198.638   10.189   4.6686   10.189   4.6686   0.0000   0.0000  731.887  198.638  ?   ?  0.000000 198.6380 
1 1 1    2    7   35 o  1990.90  175.538   71.247   10.831   71.247   10.831   0.0000   0.0000  1990.90  175.538  ?   ?  0.000000 175.5379 
1 1 1    2    7   37 o  2289.51  184.205   94.863   13.094   94.863   13.094   0.0000   0.0000  2289.51  184.205  ?   ?  0.000000 184.2050 
1 1 1    2    7   39 o  2286.24  191.224   96.325   13.564   96.325   13.564   0.0000   0.0000  2286.24  191.224  ?   ?  0.000000 191.2240 
1 1 1    2    7   41 o  805.245  238.191   13.894   6.4266   13.894   6.4266   0.0000   0.0000  805.245  238.191  ?   ?  0.000000 238.1912 
1 1 1    2    7   49 f  1699.36  264.515   86.234   13.617   86.234   13.617   0.0000   0.0000  1699.36  264.515  ?   ?  0.000000 264.5148 
1 1 1    2    7   51 o  241.268   93.648   0.8907   1.0126   20.106   7.3396   0.5178   1.0224  619.443  248.441  219.696   90.964 399.7475 264.5704 
1 1 1    2    7   53 o  261.006  101.273   1.2780   1.1839   31.903   7.5563   0.5073   1.1987  718.888  260.559  221.560   95.401 497.3279 277.4745 
1 1 1    2    7   55 o  147.216   69.570  -0.5762   0.8442   8.5479   8.0961  -0.6765   0.8488  314.964  159.661  144.351   68.667 170.6129 173.8015 
1 1 1    2    7   57 o  253.524  112.918   1.7530   1.8107   11.933   8.8407   1.3072   1.8499  ?   ?   240.159  109.828 0.000000 109.8284 
1 1 1    2    7   59 o  281.495  129.231   4.8168   2.5956   0.0000   0.0000   4.8168   2.5956  ?   ?   281.495  129.231 0.000000 129.2313 
1 1 1    2    8    0 o  5853.00  292.247  551.920   53.561   0.0000   0.0000  551.920   53.561  ?   ?   5853.00  292.247 0.000000 292.2468 
1 1 1    2    8    2 o  2425.60  113.577   92.532   8.6263   89.489   12.186   95.588   12.213  2373.88  164.969  2454.86  159.748 -80.98242 229.6393 
1 1 1    2    8    4 o  5427.72  155.959  465.524   26.506  467.498   32.460  461.575   45.918  5426.72  191.029  5346.37  275.222 80.34521 335.0208 
1 1 1    2    8    6 o  3050.73  104.038  146.389   9.9383  143.415   12.167  152.351   17.228  3015.86  128.839  3093.38  178.625 -77.51563 220.2413 
1 1 1    2    8    8 o  1701.57   81.551   45.478   4.3451   45.686   5.3136   45.059   7.5487  1701.14  100.197  1681.83  144.753 19.31042 176.0478 
1 1 1    2    8   10 o  1188.03   99.161   22.370   3.6551   22.370   3.6551   0.0000   0.0000  1188.03   99.161  ?   ?  0.000000 99.16148 
1 1 1    2    8   12 o  4392.07  132.872  305.228   18.273  302.795   22.388  310.082   31.628  4362.57  163.892  4374.56  231.726 -11.99072 283.8263 
1 1 1    2    8   14 o  1060.96   77.335   17.785   2.5515   18.928   3.1702   15.683   4.2991  1092.47   93.577  984.307  143.721 108.1582 171.5007 
1 1 1    2    8   16 o  1302.66   80.675   26.798   3.2745   28.180   5.8014   26.151   3.9668  1324.41  142.113  1283.91   99.447 40.50464 173.4531 
1 1 1    2    8   18 o  1700.46  104.226   45.882   5.5228   43.936   7.8271   47.812   7.7938  1651.17  153.132  1725.27  145.631 -74.10950 211.3236 
1 1 1    2    8   20 o  1558.99   39.854   38.124   1.9455  128.171   3.5933   0.7797   2.3141  2858.46   40.146  340.495  138.452 2517.960 144.1554 
1 1 1    2    8   22 o  1430.49  148.397   33.479   6.5503   0.0000   0.0000   33.479   6.5503  ?   ?   1430.49  148.397 0.000000 148.3970 
1 1 1    2    8   24 o  630.187  121.470   6.6011   2.3100   5.1505   3.3438   7.9255   3.1950  555.908  173.338  683.126  153.151 -127.2177 231.3034 
1 1 1    2    8   26 o  364.230  101.256   2.1897   1.1965   2.3889   1.3370   1.3883   2.6816  380.364  107.495  378.859  150.768 1.505157 185.1652 
1 1 1    2    8   28 o  1237.06  156.355   25.839   5.9212   25.839   5.9212   0.0000   0.0000  1237.06  156.355  ?   ?  0.000000 156.3548 
1 1 1    2    8   30 o  1186.28  161.152   24.208   5.8311   24.208   5.8311   0.0000   0.0000  1186.28  161.152  ?   ?  0.000000 161.1518 
1 1 1    2    8   32 o  985.421  169.315   17.258   5.0361   17.258   5.0361   0.0000   0.0000  985.421  169.315  ?   ?  0.000000 169.3150 
1 1 1    2    8   34 o  1639.08  181.074   48.309   9.1382   48.309   9.1382   0.0000   0.0000  1639.08  181.074  ?   ?  0.000000 181.0736 
1 1 1    2    8   36 o  2274.77  187.916   93.236   13.265   93.236   13.265   0.0000   0.0000  2274.77  187.916  ?   ?  0.000000 187.9159 
1 1 1    2    8   44 o  684.088  246.795   10.786   6.7676   10.786   6.7676   0.0000   0.0000  684.088  246.795  ?   ?  0.000000 246.7948 
1 1 1    2    8   46 o  1919.86  215.158   78.769   12.712   78.769   12.712   0.0000   0.0000  1919.86  215.158  ?   ?  0.000000 215.1578 
1 1 1    2    8   48 o  534.720  234.515   8.2039   7.5272   8.2039   7.5272   0.0000   0.0000  534.720  234.515  ?   ?  0.000000 234.5146 
1 1 1    2    8   50 o  1031.40  312.179   49.345   10.946   49.345   10.946   0.0000   0.0000  1031.40  312.179  ?   ?  0.000000 312.1787 
1 1 1    2    8   52 o  480.445  227.626   20.648   9.1471   20.648   9.1471   0.0000   0.0000  480.445  227.626  ?   ?  0.000000 227.6260 
1 1 1    2    8   54 o  350.677  176.051   11.011   8.4849   11.011   8.4849   0.0000   0.0000  350.677  176.051  ?   ?  0.000000 176.0506 
1 1 1    2    8   56 o  ?   ?    3.7387   9.2708   3.7387   9.2708   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2    8   58 o  265.277  106.801   2.0708   1.3620   29.206   9.8978   1.5471   1.3751  ?   ?   240.397  102.812 0.000000 102.8124 
1 1 1    2    9    1 o  6911.99  191.100  759.649   41.360  743.860   50.652  791.239   71.647  6811.38  237.490  6950.03  329.228 -138.6533 405.9462 
1 1 1    2    9    3 o  3939.36  150.391  245.406   18.551  240.212   26.227  250.607   26.243  3870.86  217.263  3955.91  212.639 -85.04541 304.0043 
1 1 1    2    9    5 o  1334.21  141.531   28.443   5.8225   28.443   5.8225   0.0000   0.0000  1334.21  141.531  ?   ?  0.000000 141.5310 
1 1 1    2    9    7 o  2789.10  121.917  122.723   10.647  126.499   15.081  118.970   15.035  2816.17  171.841  2729.27  176.883 86.90234 246.6104 
1 1 1    2    9    9 o  3283.03  134.670  170.423   13.844  170.423   13.844   0.0000   0.0000  3283.03  134.670  ?   ?  0.000000 134.6696 
1 1 1    2    9   11 o  1265.37   69.097   25.212   2.7274   26.071   3.8840   24.377   3.8308  1283.27   97.386  1240.32   99.474 42.95215 139.2088 
1 1 1    2    9   13 o  2814.58   86.908  124.624   7.6593  126.568   10.831  122.679   10.833  2829.82  122.234  2785.58  124.197 44.23950 174.2586 
1 1 1    2    9   15 o  1615.10   73.158   41.000   3.6998   40.824   5.2438   41.175   5.2209  1604.96  104.920  1612.06  103.984 -7.101685 147.7196 
1 1 1    2    9   17 f  408.557   85.572   2.7281   1.0596   3.4551   1.5001   2.0039   1.4971  458.415  106.532  360.672  116.421 97.74271 157.8060 
1 1 1    2    9   19 o  1952.80   76.143   60.109   4.6559   62.115   6.5805   58.099   6.5883  1975.92  106.755  1909.65  110.655 66.26904 153.7566 
1 1 1    2    9   21 o  780.675  111.755   9.9079   2.6539   9.4388   3.8230   10.344   3.6871  746.929  167.580  785.993  155.319 -39.06396 228.4885 
1 1 1    2    9   23 o  427.411  131.954   2.9604   1.9432   6.0130   2.8221   0.2082   2.6796  595.845  151.055  339.923  144.402 255.9221 208.9725 
1 1 1    2    9   25 f  1982.81   88.929   62.590   5.5213   67.488   6.7245   52.457   9.6724  2049.71  105.128  1765.15  177.400 284.5592 206.2102 
1 1 1    2    9   27 o  1167.39   82.920   21.800   3.0113   22.611   3.6129   19.955   5.4502  1183.97   98.343  1082.95  166.023 101.0223 192.9632 
1 1 1    2    9   29 f  647.502  113.900   6.9940   2.2250   6.9940   2.2250   0.0000   0.0000  647.502  113.900  ?   ?  0.000000 113.8996 
1 1 1    2    9   31 o  1535.82  170.657   41.177   8.0681   41.177   8.0681   0.0000   0.0000  1535.82  170.657  ?   ?  0.000000 170.6570 
1 1 1    2    9   39 o  2874.29  213.189  155.605   19.050  155.605   19.050   0.0000   0.0000  2874.29  213.189  ?   ?  0.000000 213.1886 
1 1 1    2    9   41 o  824.381  242.494   14.438   6.6774   14.438   6.6774   0.0000   0.0000  824.381  242.494  ?   ?  0.000000 242.4940 
1 1 1    2    9   43 o  1042.62  248.980   23.662   8.0165   23.662   8.0165   0.0000   0.0000  1042.62  248.980  ?   ?  0.000000 248.9803 
1 1 1    2    9   45 o  2185.50  210.609   97.761   14.234   97.761   14.234   0.0000   0.0000  2185.50  210.609  ?   ?  0.000000 210.6085 
1 1 1    2    9   47 o  916.591  278.236   24.637   8.6857   24.637   8.6857   0.0000   0.0000  916.591  278.236  ?   ?  0.000000 278.2358 
1 1 1    2    9   49 o  448.054  210.394   4.9120   7.5034   4.9120   7.5034   0.0000   0.0000  448.054  210.394  ?   ?  0.000000 210.3936 
1 1 1    2    9   51 o  567.188  252.887   23.265   9.1075   23.265   9.1075   0.0000   0.0000  567.188  252.887  ?   ?  0.000000 252.8869 
1 1 1    2    9   53 o  402.919  198.706   15.347   8.9938   15.347   8.9938   0.0000   0.0000  402.919  198.706  ?   ?  0.000000 198.7059 
1 1 1    2    9   55 o  ?   ?    10.071   9.1305   10.071   9.1305   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2    9   57 o  ?   ?    19.238   10.552   19.238   10.552   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2   10    0 o  4512.48  166.209  322.999   23.485  322.999   23.485   0.0000   0.0000  4512.48  166.209  ?   ?  0.000000 166.2087 
1 1 1    2   10    2 o  2581.82  117.832  105.061   9.5259  105.061   9.5259   0.0000   0.0000  2581.82  117.832  ?   ?  0.000000 117.8316 
1 1 1    2   10    4 o  2627.47   96.888  108.585   7.9713  108.216   9.7583  109.325   13.819  2619.94  118.951  2618.78  169.434 1.162598 207.0195 
1 1 1    2   10    6 o  3537.78   98.935  196.927   10.960  203.293   15.499  190.559   15.500  3586.13  138.023  3470.87  142.620 115.2610 198.4711 
1 1 1    2   10    8 o  1284.77   99.701   26.133   3.9795   26.886   5.6326   25.384   5.6232  1296.19  141.056  1258.16  145.413 38.02393 202.5877 
1 1 1    2   10   10 o  2063.79   89.052   66.985   5.7547   65.153   10.032   67.884   7.0256  2019.22  159.979  2072.52  108.637 -53.30139 193.3788 
1 1 1    2   10   12 o  1980.12   86.261   61.675   5.3484   65.607   9.3226   59.746   6.5299  2027.94  147.831  1943.45  107.726 84.48730 182.9178 
1 1 1    2   10   14 o  1429.83   69.471   32.121   3.1103   37.395   4.4184   26.941   4.3791  1537.98   92.174  1301.78  108.418 236.1998 142.3041 
1 1 1    2   10   16 o  1324.53   70.262   27.667   2.9036   30.687   4.1259   24.704   4.0871  1391.09   95.296  1245.44  105.804 145.6520 142.3928 
1 1 1    2   10   18 o  1379.43   70.364   30.040   3.0291   30.390   4.2886   29.692   4.2791  1381.72   99.795  1365.44  100.796 16.27722 141.8412 
1 1 1    2   10   20 o  2132.55   80.278   71.878   5.3606   71.241   7.5588   72.521   7.6036  2109.79  114.850  2128.86  114.486 -19.06787 162.1656 
1 1 1    2   10   22 o  1309.45   83.746   27.283   3.4158   27.525   4.1370   26.764   6.0548  1310.35  101.622  1272.65  155.153 37.70398 185.4704 
1 1 1    2   10   24 o  1263.49  105.335   25.704   4.1294   28.169   5.8810   23.305   5.7995  1307.06  146.197  1181.16  161.001 125.9016 217.4737 
1 1 1    2   10   26 o  1868.95   89.955   55.691   5.2643   61.064   6.4399   44.870   9.1394  1947.58  106.000  1624.53  182.847 323.0475 211.3509 
1 1 1    2   10   28 o  1355.11   86.046   29.443   3.6321   33.847   4.4279   20.383   6.3506  1448.27   98.221  1073.75  196.109 374.5194 219.3311 
1 1 1    2   10   30 o  996.498  138.402   16.782   4.2019   16.782   4.2019   0.0000   0.0000  996.498  138.402  ?   ?  0.000000 138.4016 
1 1 1    2   10   32 o  1066.21  138.945   19.268   4.5286   19.268   4.5286   0.0000   0.0000  1066.21  138.945  ?   ?  0.000000 138.9451 
1 1 1    2   10   34 o  2264.31  185.731   90.238   13.053   90.238   13.053   0.0000   0.0000  2264.31  185.731  ?   ?  0.000000 185.7309 
1 1 1    2   10   36 o  1932.83  184.359   65.878   11.022   65.878   11.022   0.0000   0.0000  1932.83  184.359  ?   ?  0.000000 184.3586 
1 1 1    2   10   38 o  694.624  237.219   9.3225   6.1949   9.3225   6.1949   0.0000   0.0000  694.624  237.219  ?   ?  0.000000 237.2188 
1 1 1    2   10   40 o  1578.22  197.293   46.243   9.5368   46.243   9.5368   0.0000   0.0000  1578.22  197.293  ?   ?  0.000000 197.2932 
1 1 1    2   10   42 o  2152.84  199.096   87.768   13.269   87.768   13.269   0.0000   0.0000  2152.84  199.096  ?   ?  0.000000 199.0962 
1 1 1    2   10   44 o  1654.27  215.405   55.038   10.893   55.038   10.893   0.0000   0.0000  1654.27  215.405  ?   ?  0.000000 215.4053 
1 1 1    2   10   46 o  1838.88  225.434   74.629   12.709   74.629   12.709   0.0000   0.0000  1838.88  225.434  ?   ?  0.000000 225.4339 
1 1 1    2   10   48 o  1063.29  295.737   38.520   10.204   38.520   10.204   0.0000   0.0000  1063.29  295.737  ?   ?  0.000000 295.7371 
1 1 1    2   10   50 o  393.351  192.749   2.0530   8.0354   2.0530   8.0354   0.0000   0.0000  393.351  192.749  ?   ?  0.000000 192.7489 
1 1 1    2   10   52 o  436.470  212.091   15.245   9.1627   15.245   9.1627   0.0000   0.0000  436.470  212.091  ?   ?  0.000000 212.0911 
1 1 1    2   10   54 o  ?   ?  -14.8665   8.2701 -14.8665   8.2701   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2   10   56 o  ?   ?    21.731   10.959   21.731   10.959   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2   11    1 o  896.271   81.307   12.719   2.2570   13.089   2.7477   11.952   3.9573  906.999   98.324  856.416  153.194 50.58313 182.0331 
1 1 1    2   11    3 o  3030.50   89.862  144.351   8.5272  146.194   12.057  142.507   12.062  3043.93  126.497  3004.99  128.188 38.94458 180.0934 
1 1 1    2   11    5 o  3782.71  103.338  225.227   12.240  225.355   17.307  225.099   17.313  3773.61  146.470  3771.44  146.603 2.176514 207.2341 
1 1 1    2   11    7 o  3234.58  108.885  164.836   11.028  167.493   13.498  159.503   19.125  3255.66  132.410  3154.59  194.569 101.0652 235.3499 
1 1 1    2   11    9 o  1653.94   71.091   42.953   3.6817   45.792   5.2314   40.166   5.1825  1702.66   98.545  1593.36  104.452 109.3002 143.6011 
1 1 1    2   11   11 o  525.006   82.873   4.4392   1.3172   4.7469   1.9276   4.1696   1.8041  537.941  117.706  503.906  116.644 34.03479 165.7119 
1 1 1    2   11   13 o  1643.51   85.015   42.634   4.3601   38.142   7.6461   44.799   5.3076  1537.79  161.188  1682.03  101.245 -144.2432 190.3472 
1 1 1    2   11   15 o  823.849   89.732   10.831   2.2774   7.8793   4.1757   12.080   2.7170  686.904  188.456  868.400  101.855 -181.4955 214.2202 
1 1 1    2   11   17 o  1124.89   82.433   20.074   2.8833   18.716   5.2001   20.676   3.4647  1066.49  160.705  1138.68   98.130 -72.18860 188.2970 
1 1 1    2   11   19 o  1123.14   71.899   19.975   2.5153   21.388   3.5126   18.488   3.6034  1156.94   97.880  1072.41  108.817 84.52515 146.3609 
1 1 1    2   11   21 o  1081.84   83.504   18.639   2.8068   20.057   3.4246   15.738   4.8989  1118.80   98.770  968.550  167.599 150.2469 194.5382 
1 1 1    2   11   23 o  2076.36  115.476   69.335   7.4781   76.274   10.404   61.920   10.756  2155.56  155.182  1925.42  180.514 230.1417 238.0479 
1 1 1    2   11   25 o  1396.70  155.878   32.431   6.7009   0.0000   0.0000   32.431   6.7009  ?   ?   1396.70  155.878 0.000000 155.8776 
1 1 1    2   11   27 o  1062.89  163.495   19.225   5.2670   0.0000   0.0000   19.225   5.2670  ?   ?   1062.89  163.495 0.000000 163.4953 
1 1 1    2   11   29 o  209.254   92.307  -0.3077   1.1817  -1.2391   1.2924   4.4428   2.9187  187.829   87.916  512.321  162.261 -324.4929 184.5474 
1 1 1    2   11   31 o  631.800  129.253   6.7921   2.4709   6.7921   2.4709   0.0000   0.0000  631.800  129.253  ?   ?  0.000000 129.2535 
1 1 1    2   11   33 o  318.101  115.303   1.4031   1.4798   1.4031   1.4798   0.0000   0.0000  318.101  115.303  ?   ?  0.000000 115.3031 
1 1 1    2   11   35 o  912.317  125.562   13.894   3.4919   13.894   3.4919   0.0000   0.0000  912.317  125.562  ?   ?  0.000000 125.5620 
1 1 1    2   11   37 o  773.273  121.751   10.048   2.8505   10.048   2.8505   0.0000   0.0000  773.273  121.751  ?   ?  0.000000 121.7514 
1 1 1    2   11   39 o  382.900  180.756  -4.4822   5.6715  -4.4822   5.6715   0.0000   0.0000  382.900  180.756  ?   ?  0.000000 180.7562 
1 1 1    2   11   41 o  1723.85  199.688   55.396   10.579   55.396   10.579   0.0000   0.0000  1723.85  199.688  ?   ?  0.000000 199.6876 
1 1 1    2   11   43 o  527.297  229.248   2.9136   7.0571   2.9136   7.0571   0.0000   0.0000  527.297  229.248  ?   ?  0.000000 229.2481 
1 1 1    2   11   45 o  1663.20  224.341   58.584   11.385   58.584   11.385   0.0000   0.0000  1663.20  224.341  ?   ?  0.000000 224.3414 
1 1 1    2   11   47 o  1313.18  278.479   48.557   11.096   48.557   11.096   0.0000   0.0000  1313.18  278.479  ?   ?  0.000000 278.4793 
1 1 1    2   11   49 o  446.155  213.672   5.2795   8.5168   5.2795   8.5168   0.0000   0.0000  446.155  213.672  ?   ?  0.000000 213.6723 
1 1 1    2   11   51 o  415.566  202.721   7.7433   8.6000   7.7433   8.6000   0.0000   0.0000  415.566  202.721  ?   ?  0.000000 202.7214 
1 1 1    2   11   55 o  ?   ?    12.775   10.225   12.775   10.225   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2   11   57 o  ?   ?    84.934   15.644   84.934   15.644   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2   12    0 o  1406.19   81.512   31.164   3.5737   32.675   6.1405   30.390   4.3946  1431.30  138.752  1385.95  101.981 45.35779 172.1987 
1 1 1    2   12    2 o  1920.02   86.663   57.935   5.2102   57.831   6.3685   58.145   9.0604  1913.51  106.715  1910.03  152.771 3.484863 186.3524 
1 1 1    2   12    4 o  5502.13  158.279  480.179   27.269  485.908   33.396  468.716   47.238  5517.35  193.305  5354.20  282.760 163.1475 342.5202 
1 1 1    2   12    6 o  978.994   82.794   15.169   2.5142   16.909   3.0628   11.574   4.4025  1032.23   95.854  837.903  173.511 194.3306 198.2271 
1 1 1    2   12    8 o  608.941   80.176   5.9277   1.4916   6.1359   2.1924   5.7482   2.0352  613.250  118.461  593.889  113.581 19.36090 164.1146 
1 1 1    2   12   10 o  1489.70   70.929   34.866   3.3085   40.160   4.7071   29.696   4.6514  1593.88   94.741  1367.25  109.568 226.6309 144.8484 
1 1 1    2   12   12 f  1346.06   70.947   28.563   2.9797   30.705   4.2322   26.458   4.1959  1391.61   97.746  1290.00  104.783 101.6068 143.2962 
1 1 1    2   12   14 o  1066.37   83.944   18.037   2.7803   17.505   4.9705   18.279   3.3540  1033.52  158.662  1070.44  101.270 -36.91968 188.2263 
1 1 1    2   12   16 o  1804.07   74.320   51.290   4.1983   58.445   5.9893   44.378   5.8868  1918.23  100.061  1667.25  113.436 250.9799 151.2609 
1 1 1    2   12   18 o  713.795  100.231   8.2378   2.1785   9.6605   4.2057   7.7162   2.5468  754.485  180.453  685.074  123.255 69.41113 218.5295 
1 1 1    2   12   20 o  1152.48  105.907   21.317   3.7791   0.0000   0.0000   21.317   3.7791  ?   ?   1152.48  105.907 0.000000 105.9074 
1 1 1    2   12   22 o  1185.77  156.530   23.267   5.6698   0.0000   0.0000   23.267   5.6698  ?   ?   1185.77  156.530 0.000000 156.5299 
1 1 1    2   12   24 o  543.286  121.863   4.9334   2.0220   5.6587   2.4806   3.4971   3.4907  579.287  138.609  490.900  177.224 88.38721 224.9902 
1 1 1    2   12   26 o  545.532  117.655   4.9838   1.9507   3.9183   2.3625   7.2663   3.4578  484.300  144.686  647.876  168.764 -163.5758 222.2954 
1 1 1    2   12   28 o  427.335  156.211   2.6073   2.7243   0.2325   4.7039   3.8058   3.3418  433.845  187.889  493.612  173.923 -59.76733 256.0304 
1 1 1    2   12   30 o  1661.68  121.972   45.270   6.3020   46.264   8.7293   44.187   9.1075  1644.37  172.086  1595.86  185.732 48.50818 253.1996 
1 1 1    2   12   32 o  2034.03  114.426   67.293   7.2582   67.293   7.2582   0.0000   0.0000  2034.03  114.426  ?   ?  0.000000 114.4257 
1 1 1    2   12   34 o  1880.59  119.526   57.810   7.0018   57.810   7.0018   0.0000   0.0000  1880.59  119.526  ?   ?  0.000000 119.5256 
1 1 1    2   12   36 o  1300.19  111.392   27.677   4.4912   27.677   4.4912   0.0000   0.0000  1300.19  111.392  ?   ?  0.000000 111.3917 
1 1 1    2   12   38 o  2050.22  110.268   68.878   7.0529   68.878   7.0529   0.0000   0.0000  2050.22  110.268  ?   ?  0.000000 110.2684 
1 1 1    2   12   40 o  1666.23   99.231   45.356   5.1538   45.356   5.1538   0.0000   0.0000  1666.23   99.231  ?   ?  0.000000 99.23088 
1 1 1    2   12   42 o  857.474  262.595   15.968   7.7134   15.968   7.7134   0.0000   0.0000  857.474  262.595  ?   ?  0.000000 262.5951 
1 1 1    2   12   44 o  750.658  269.959   13.721   8.0906   13.721   8.0906   0.0000   0.0000  750.658  269.959  ?   ?  0.000000 269.9591 
1 1 1    2   12   46 o  860.328  282.113   22.134   8.7737   22.134   8.7737   0.0000   0.0000  860.328  282.113  ?   ?  0.000000 282.1133 
1 1 1    2   12   48 o  654.210  271.022   18.639   9.0829   18.639   9.0829   0.0000   0.0000  654.210  271.022  ?   ?  0.000000 271.0219 
1 1 1    2   12   52 o  840.679  351.825   88.516   15.529   88.516   15.529   0.0000   0.0000  840.679  351.825  ?   ?  0.000000 351.8247 
1 1 1    2   12   54 o  468.221  231.552   43.477   12.515   43.477   12.515   0.0000   0.0000  468.221  231.552  ?   ?  0.000000 231.5516 
1 1 1    2   12   56 f  ?   ?    3.9287   10.648   3.9287   10.648   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2   13    1 o  1435.54   71.313   32.356   3.2055   32.362   4.5188   32.350   4.5480  1430.04  101.576  1429.67  102.270 0.3709717 144.1412 
1 1 1    2   13    3 o  3989.66  107.472  250.883   13.426  255.504   18.979  246.253   18.995  4013.20  151.034  3938.85  154.014 74.34473 215.7113 
1 1 1    2   13    5 o  1944.30   75.484   59.395   4.5955   59.704   6.4926   59.085   6.5056  1942.98  107.131  1932.70  107.930 10.27747 152.0720 
1 1 1    2   13    7 o  3646.88  116.874  210.181   13.346  212.924   16.338  204.680   23.137  3662.31  142.474  3557.25  208.630 105.0608 252.6363 
1 1 1    2   13    9 o  1401.21   83.245   31.011   3.6360   31.317   4.4704   30.414   6.2497  1405.00  102.317  1374.77  147.486 30.23083 179.5021 
1 1 1    2   13   11 o  448.578  116.981   3.3061   1.6602   4.3510   2.0798   1.4711   2.7562  513.472  129.403  391.818  153.820 121.6539 201.0115 
1 1 1    2   13   13 o  1514.71   84.253   36.293   3.9802   39.935   7.2025   34.692   4.7757  1572.98  147.972  1476.84  103.936 96.13904 180.8267 
1 1 1    2   13   15 o  725.549   90.438   8.4457   2.0100   10.111   3.4764   7.6094   2.4636  781.742  147.426  681.918  119.745 99.82343 189.9294 
1 1 1    2   13   17 o  1964.30  112.104   61.580   6.8666   68.835   9.5833   53.926   9.8436  2062.32  149.416  1812.63  175.634 249.6871 230.5915 
1 1 1    2   13   19 o  1362.63   84.376   29.471   3.5824   30.068   5.9145   29.125   4.5022  1360.23  140.907  1348.90  107.486 11.32483 177.2229 
1 1 1    2   13   21 o  1293.60   76.508   26.532   3.0852   28.701   4.3539   24.344   4.3725  1338.50  104.716  1229.14  114.944 109.3617 155.4914 
1 1 1    2   13   23 o  1466.08  110.991   34.597   5.0574   38.444   7.4304   31.276   6.9032  1525.37  157.852  1371.56  163.991 153.8083 227.6187 
1 1 1    2   13   25 o  732.193  218.324   9.4987   5.3832   0.0000   0.0000   9.4987   5.3832  ?   ?   732.193  218.324 0.000000 218.3242 
1 1 1    2   13   27 o  522.080  177.357   4.3964   3.4627   5.2072   4.7349   3.4643   5.0769  575.081  206.551  530.225  208.570 44.85535 293.5385 
1 1 1    2   13   29 o  1557.85  123.514   39.655   5.9756   34.700   8.2347   45.167   8.6849  1417.01  190.410  1632.02  172.569 -215.0092 256.9743 
1 1 1    2   13   31 o  1956.04  115.984   62.041   7.0722   62.041   7.0722   0.0000   0.0000  1956.04  115.984  ?   ?  0.000000 115.9845 
1 1 1    2   13   33 o  1353.18   98.859   29.516   4.1598   29.516   4.1598   0.0000   0.0000  1353.18   98.859  ?   ?  0.000000 98.85851 
1 1 1    2   13   35 o  2829.82  137.295  132.013   12.166  132.013   12.166   0.0000   0.0000  2829.82  137.295  ?   ?  0.000000 137.2954 
1 1 1    2   13   37 o  2060.27  113.546   69.389   7.2968   69.389   7.2968   0.0000   0.0000  2060.27  113.546  ?   ?  0.000000 113.5457 
1 1 1    2   13   39 o  1517.61  114.435   37.944   5.3980   37.944   5.3980   0.0000   0.0000  1517.61  114.435  ?   ?  0.000000 114.4353 
1 1 1    2   13   41 o  1920.31  106.931   60.624   6.4042   60.624   6.4042   0.0000   0.0000  1920.31  106.931  ?   ?  0.000000 106.9308 
1 1 1    2   13   43 f  214.009   94.363  -0.2565   1.2336  -0.2565   1.2336   0.0000   0.0000  214.009   94.363  ?   ?  0.000000 94.36266 
1 1 1    2   13   45 o  818.293  287.638   19.575   9.1357   19.575   9.1357   0.0000   0.0000  818.293  287.638  ?   ?  0.000000 287.6375 
1 1 1    2   13   47 f  702.435  280.144   19.166   9.2769   19.166   9.2769   0.0000   0.0000  702.435  280.144  ?   ?  0.000000 280.1441 
1 1 1    2   13   51 o  455.165  220.839   13.040   9.8337   13.040   9.8337   0.0000   0.0000  455.165  220.839  ?   ?  0.000000 220.8395 
1 1 1    2   13   53 o  411.871  205.205   16.647   10.569   16.647   10.569   0.0000   0.0000  411.871  205.205  ?   ?  0.000000 205.2052 
1 1 1    2   13   55 o  ?   ?    8.5009   10.357   8.5009   10.357   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2   14    0 o  2372.41   80.893   88.509   6.0093   89.220   8.4776   87.791   8.5193  2376.77  113.912  2357.39  115.413 19.38477 162.1606 
1 1 1    2   14    2 o  2461.56   82.443   95.312   6.3545   96.752   8.9666   93.860   9.0068  2474.46  115.726  2436.75  118.043 37.70313 165.3079 
1 1 1    2   14    4 o  1172.80   73.349   21.703   2.6801   23.276   3.7830   20.117   3.7974  1210.74  100.700  1123.48  109.329 87.25305 148.6385 
1 1 1    2   14    6 o  444.810  105.900   3.2495   1.4538   4.7213   2.1743   2.0596   1.9550  535.070  130.862  381.280  133.113 153.7898 186.6653 
1 1 1    2   14    8 o  2407.95   80.547   91.281   6.0732  103.748   8.6355   79.081   8.5427  2561.58  107.663  2229.89  122.822 331.6938 163.3292 
1 1 1    2   14   10 o  1029.40   83.680   16.808   2.6739   21.320   4.6514   14.581   3.2678  1150.49  131.478  953.185  111.599 197.3045 172.4552 
1 1 1    2   14   12 o  2209.75  163.316   78.956   11.220   0.0000   0.0000   78.956   11.220  ?   ?   2209.75  163.316 0.000000 163.3161 
1 1 1    2   14   14 o  457.648  131.767   3.4196   1.9905   4.3030   2.6924   2.3546   2.9561  514.404  154.632  433.880  161.977 80.52478 223.9367 
1 1 1    2   14   16 o  1693.38   86.987   45.420   4.5968   52.435   5.6647   31.893   7.8662  1816.49   99.977  1388.03  185.639 428.4663 210.8490 
1 1 1    2   14   18 o  1140.59   78.113   20.626   2.7730   22.595   3.9094   18.633   3.9339  1187.95  106.219  1074.74  118.888 113.2119 159.4263 
1 1 1    2   14   20 o  1014.48   90.536   16.435   2.8457   15.068   3.4633   19.276   4.9929  964.567  117.066  1081.76  151.565 -117.1904 191.5103 
1 1 1    2   14   22 o  686.905  127.374   7.8199   2.6388   13.445   4.8767   5.4913   3.1378  887.280  181.645  571.681  165.682 315.5985 245.8564 
1 1 1    2   14   24 o  1261.33   82.405   25.354   3.2367   24.660   4.4589   26.127   4.7059  1233.00  116.887  1268.31  119.918 -35.30774 167.4603 
1 1 1    2   14   26 o  2213.16  164.882   81.573   11.344   81.573   11.344   0.0000   0.0000  2213.16  164.882  ?   ?  0.000000 164.8819 
1 1 1    2   14   28 o  1289.64  188.785   28.473   7.3977   28.473   7.3977   0.0000   0.0000  1289.64  188.785  ?   ?  0.000000 188.7848 
1 1 1    2   14   30 o  1327.56  136.961   28.948   5.6116   34.688   7.4143   21.250   8.5859  1438.45  167.761  1073.40  258.528 365.0497 308.1894 
1 1 1    2   14   32 o  905.903  224.800   14.789   6.3465   14.789   6.3465   0.0000   0.0000  905.903  224.800  ?   ?  0.000000 224.8000 
1 1 1    2   14   34 o  1152.71  122.772   21.800   4.3631   21.800   4.3631   0.0000   0.0000  1152.71  122.772  ?   ?  0.000000 122.7716 
1 1 1    2   14   36 o  1380.62  122.986   31.334   5.2611   28.417   8.3223   33.276   6.7899  1252.24  220.289  1402.57  157.317 -150.3281 270.6955 
1 1 1    2   14   38 o  1460.19  115.349   34.977   5.2310   34.977   5.2310   0.0000   0.0000  1460.19  115.349  ?   ?  0.000000 115.3487 
1 1 1    2   14   40 f  1116.14  132.021   20.970   4.5246   20.970   4.5246   0.0000   0.0000  1116.14  132.021  ?   ?  0.000000 132.0210 
1 1 1    2   14   42 o  826.624  139.932   11.912   3.4927   11.912   3.4927   0.0000   0.0000  826.624  139.932  ?   ?  0.000000 139.9316 
1 1 1    2   14   44 o  784.412  137.555   11.075   3.2554   11.075   3.2554   0.0000   0.0000  784.412  137.555  ?   ?  0.000000 137.5549 
1 1 1    2   14   46 o  575.832  147.304   6.4949   2.6667   6.4949   2.6667   0.0000   0.0000  575.832  147.304  ?   ?  0.000000 147.3041 
1 1 1    2   14   48 o  530.402  244.715   10.800   9.4693   10.800   9.4693   0.0000   0.0000  530.402  244.715  ?   ?  0.000000 244.7152 
1 1 1    2   14   50 o  683.894  294.676   33.682   11.452   33.682   11.452   0.0000   0.0000  683.894  294.676  ?   ?  0.000000 294.6761 
1 1 1    2   15    1 o  1727.32   74.895   46.921   4.0508   49.497   5.7380   44.362   5.7195  1767.45  104.140  1671.79  109.872 95.65747 151.3839 
1 1 1    2   15    3 o  2242.26   78.714   79.114   5.5266   86.197   7.8535   72.164   7.7786  2335.44  107.394  2131.95  116.968 203.4875 158.7922 
1 1 1    2   15    5 o  1352.64  103.517   29.070   4.3511   32.425   6.1612   25.733   6.1456  1420.71  140.331  1259.15  159.445 161.5609 212.4046 
1 1 1    2   15    7 o  2479.10   95.976   97.015   7.4503  112.297   12.920   89.402   9.1192  2644.96  156.698  2370.49  123.283 274.4719 199.3811 
1 1 1    2   15    9 o  889.804   88.203   12.607   2.4251   13.023   4.1818   12.396   2.9769  889.751  155.773  878.037  110.738 11.71411 191.1229 
1 1 1    2   15   11 o  946.750   90.118   14.271   2.6393   16.683   5.1222   13.399   3.0796  1005.71  168.624  913.327  109.890 92.38403 201.2709 
1 1 1    2   15   13 o  423.176  124.644   2.8969   1.7632   2.3534   3.9282   3.0340   1.9731  472.657  184.175  435.156  132.727 37.50122 227.0176 
1 1 1    2   15   15 o  1246.29   75.309   24.562   2.9251   29.484   4.2356   20.074   4.0444  1361.03  100.089  1117.78  117.302 243.2488 154.1995 
1 1 1    2   15   17 o  783.289  109.825   9.9321   2.6196   7.8443   2.9979   16.674   5.3873  686.766  144.009  998.653  178.851 -311.8871 229.6221 
1 1 1    2   15   19 o  1030.38   99.659   17.008   3.1752   15.489   3.6293   21.964   6.5557  977.448  121.179  1142.36  189.941 -164.9155 225.3042 
1 1 1    2   15   21 o  794.800  119.422   10.331   2.8802   10.331   2.8802   0.0000   0.0000  794.800  119.422  ?   ?  0.000000 119.4217 
1 1 1    2   15   23 o  931.228   98.808   13.965   2.8371   13.915   3.4978   14.060   4.8507  922.264  124.288  908.648  176.850 13.61511 216.1558 
1 1 1    2   15   25 o  1293.30   94.708   26.763   3.8087   31.617   4.6975   17.449   6.5068  1401.97  107.833  997.449  214.692 404.5202 240.2513 
1 1 1    2   15   27 o  1092.74   97.320   19.159   3.2951   14.423   4.9504   22.927   4.4153  920.128  178.259  1188.98  120.249 -268.8561 215.0255 
1 1 1    2   15   29 o  1403.89   86.653   31.396   3.7906   35.425   5.1968   26.815   5.5412  1483.03  112.755  1278.84  140.705 204.1803 180.3094 
1 1 1    2   15   31 o  950.651  172.369   15.357   4.9420   17.399   6.6139   12.775   7.4361  992.322  218.748  840.339  257.913 151.9838 338.1863 
1 1 1    2   15   33 o  2250.84  127.084   82.393   8.9202   68.423   13.040   94.681   12.229  1984.88  213.144  2383.61  164.863 -398.7382 269.4626 
1 1 1    2   15   35 o  712.845  172.616   8.8562   3.8119   4.1524   6.5271   11.291   4.6960  584.403  234.322  799.443  190.333 -215.0393 301.8834 
1 1 1    2   15   37 o  1207.06   95.871   23.529   3.5937   18.547   4.4732   32.597   6.0352  1052.88  139.086  1399.71  139.562 -346.8319 197.0344 
1 1 1    2   15   39 o  1871.66  129.079   58.013   7.5186   58.013   7.5186   0.0000   0.0000  1871.66  129.079  ?   ?  0.000000 129.0786 
1 1 1    2   15   41 o  1014.46  127.375   17.410   3.9569   17.410   3.9569   0.0000   0.0000  1014.46  127.375  ?   ?  0.000000 127.3749 
1 1 1    2   15   43 o  1333.24  134.197   31.056   5.5262   31.056   5.5262   0.0000   0.0000  1333.24  134.197  ?   ?  0.000000 134.1972 
1 1 1    2   15   45 o  859.749  162.207   14.354   4.2066   14.354   4.2066   0.0000   0.0000  859.749  162.207  ?   ?  0.000000 162.2072 
1 1 1    2   15   47 o  1265.55  164.014   32.696   6.3466   32.696   6.3466   0.0000   0.0000  1265.55  164.014  ?   ?  0.000000 164.0137 
1 1 1    2   15   53 o  392.292  197.633   10.813   11.211   10.813   11.211   0.0000   0.0000  392.292  197.633  ?   ?  0.000000 197.6328 
1 1 1    2   16    0 o  684.308  109.296   7.5824   2.2631   13.767   4.5943   5.6010   2.6005  913.969  166.677  581.870  143.604 332.0991 220.0074 
1 1 1    2   16    2 o  1331.29   85.008   28.026   3.5251   29.548   6.0567   27.246   4.3351  1354.71  145.034  1308.80  106.709 45.90894 180.0604 
1 1 1    2   16    4 o  1614.90  106.466   41.392   5.3534   48.924   7.6093   34.011   7.5329  1748.02  140.202  1447.41  169.413 300.6062 219.9033 
1 1 1    2   16    6 o  855.859   80.032   11.630   2.1199   16.768   3.2258   7.7248   2.8125  1025.43  101.811  685.439  135.841 339.9930 169.7595 
1 1 1    2   16    8 o  418.045  116.268   2.8503   1.5773   5.2256   2.4088   1.0674   2.0869  562.001  137.914  339.815  133.705 222.1862 192.0864 
1 1 1    2   16   10 o  1133.52   87.103   20.376   3.0679   29.688   5.8131   16.781   3.6119  1358.19  138.632  1022.83  114.754 335.3544 179.9650 
1 1 1    2   16   12 o  378.879  122.101   2.2220   1.6472   3.0219   2.3055   1.3879   2.3544  442.412  144.593  367.751  142.782 74.66113 203.2087 
1 1 1    2   16   14 o  1005.40   83.188   16.052   2.5954   17.120   3.6371   14.944   3.7046  1032.28  114.451  960.884  126.178 71.39520 170.3519 
1 1 1    2   16   16 o  384.832  134.345   2.1267   1.9913  -1.0019   2.3314   10.565   3.8289  283.444  127.047  796.200  159.145 -512.7551 203.6377 
1 1 1    2   16   18 o  1608.51   90.120   41.087   4.5207   41.260   5.5049   40.729   7.9227  1606.35  110.107  1576.74  162.814 29.61938 196.5505 
1 1 1    2   16   20 o  1094.12   93.049   19.121   3.1576   20.029   3.7759   17.011   5.7582  1115.83  109.481  1000.61  190.747 115.2176 219.9326 
1 1 1    2   16   22 o  1102.46  104.178   19.521   3.5537   21.414   4.0677   13.420   7.3033  1152.27  114.247  869.649  252.978 282.6198 277.5793 
1 1 1    2   16   24 o  2037.32   95.814   65.928   6.1123   67.566   7.2984   62.081   11.185  2053.43  113.956  1930.82  187.366 122.6072 219.2992 
1 1 1    2   16   26 o  1354.05   97.541   29.270   4.1079   29.167   4.7292   29.584   8.2909  1347.20  113.156  1318.71  207.655 28.49109 236.4848 
1 1 1    2   16   28 o  661.758  118.797   7.2096   2.3712   7.2402   3.0893   7.1658   3.6993  655.381  153.272  649.546  177.037 5.834473 234.1677 
1 1 1    2   16   30 o  508.383  141.839   4.3131   2.3435   6.4932   3.0566   1.2044   3.6501  619.115  157.343  420.627  172.783 198.4882 233.6894 
1 1 1    2   16   32 o  1606.28   87.105   41.111   4.3647   43.361   5.9757   38.539   6.3903  1638.38  117.258  1536.80  134.142 101.5750 178.1669 
1 1 1    2   16   34 o  1295.06  129.276   27.457   5.1723   31.061   8.1859   25.062   6.6731  1339.38  201.420  1211.84  181.442 127.5391 271.0922 
1 1 1    2   16   36 o  3095.90  139.969  157.186   13.569  156.063   19.638  158.212   18.769  2995.01  210.747  3032.29  198.779 -37.27563 289.7022 
1 1 1    2   16   38 f  473.909  182.380   2.9443   3.8152   10.556   7.6009   0.3808   4.4111  754.613  262.526  424.332  182.859 330.2808 319.9338 
1 1 1    2   16   40 o  1426.50  134.958   34.265   5.9566   40.997   10.018   30.585   7.4083  1478.52  223.360  1307.46  186.218 171.0582 290.8041 
1 1 1    2   16   42 o  685.748  172.637   8.8278   3.7044   8.8278   3.7044   0.0000   0.0000  685.748  172.637  ?   ?  0.000000 172.6369 
1 1 1    2   16   44 o  207.621   99.546  -2.2875   1.8602  -2.2875   1.8602   0.0000   0.0000  207.621   99.546  ?   ?  0.000000 99.54621 
1 1 1    2   16   46 o  341.009  140.076   1.4403   2.3990   1.4403   2.3990   0.0000   0.0000  341.009  140.076  ?   ?  0.000000 140.0761 
1 1 1    2   16   48 o  615.687  164.872   8.2176   3.2420   8.2176   3.2420   0.0000   0.0000  615.687  164.872  ?   ?  0.000000 164.8716 
1 1 1    2   16   50 o  723.742  160.971   11.669   3.5537   11.669   3.5537   0.0000   0.0000  723.742  160.971  ?   ?  0.000000 160.9706 
1 1 1    2   16   52 o  434.346  216.209   13.016   11.625   13.016   11.625   0.0000   0.0000  434.346  216.209  ?   ?  0.000000 216.2089 
1 1 1    2   17    1 o  1039.12   90.401   17.142   2.9121   22.803   5.3150   14.713   3.4811  1188.35  145.902  956.957  118.725 231.3913 188.1041 
1 1 1    2   17    3 o  1121.26   90.477   19.940   3.1495   23.979   4.0401   13.683   5.0287  1227.52  106.154  907.291  183.318 320.2317 211.8348 
1 1 1    2   17    5 o  2159.98   79.187   73.425   5.3558   84.235   7.6971   63.279   7.4570  2308.70  106.474  1995.05  119.926 313.6443 160.3715 
1 1 1    2   17    7 o  1731.33   76.555   47.167   4.1502   47.712   5.8321   46.609   5.9072  1733.74  107.965  1712.89  110.731 20.85681 154.6540 
1 1 1    2   17    9 o  933.091   86.677   13.840   2.5035   17.336   3.5256   10.285   3.5556  1040.97  109.821  790.239  149.162 250.7298 185.2297 
1 1 1    2   17   11 o  420.473  148.984   2.4755   2.4554  -0.3552   4.5241   3.6575   2.9235  426.148  184.409  489.066  162.969 -62.91885 246.1011 
1 1 1    2   17   13 o  2989.82  105.522  141.629   9.8789  150.161   12.139  124.894   17.000  3070.73  126.246  2760.57  197.981 310.1580 234.8073 
1 1 1    2   17   15 o  367.914  136.541   1.6980   2.0945   1.4875   2.4350   2.2965   4.1065  375.265  145.343  476.605  187.548 -101.3398 237.2739 
1 1 1    2   17   17 o  2249.31   85.113   79.951   5.9946   80.189   8.3142   79.694   8.6513  2239.81  118.974  2230.75  124.349 9.058594 172.0971 
1 1 1    2   17   19 o  552.966  126.481   5.0786   2.1424   3.6732   2.6840   7.5464   3.5566  482.104  155.912  668.792  169.592 -186.6872 230.3694 
1 1 1    2   17   21 o  2037.71   83.847   65.622   5.3499   67.243   7.4184   63.866   7.7225  2050.90  115.994  1995.54  124.205 55.35828 169.9455 
1 1 1    2   17   23 o  1355.30   87.013   29.158   3.6731   26.512   4.9896   32.288   5.4272  1282.34  125.886  1416.97  123.556 -134.6311 176.3900 
1 1 1    2   17   25 o  981.927   97.478   15.429   2.9575   17.280   3.9283   13.007   4.4935  1033.24  123.889  881.645  168.920 151.5988 209.4819 
1 1 1    2   17   27 f  966.316  116.746   15.100   3.4609   13.001   3.9132   22.638   7.4152  887.564  145.874  1150.99  213.613 -263.4225 258.6691 
1 1 1    2   17   29 o  893.447  123.729   13.017   3.3685   10.358   3.7138   25.356   7.9999  786.029  156.393  1213.68  218.544 -427.6484 268.7380 
1 1 1    2   17   31 o  1120.62  116.327   20.320   4.0224   19.784   4.5545   22.221   8.5755  1099.45  135.141  1113.49  251.851 -14.03284 285.8183 
1 1 1    2   17   33 o  3011.72  112.036  145.418   10.566  142.348   12.985  151.434   18.175  2960.27  140.084  2998.36  194.639 -38.09326 239.8083 
1 1 1    2   17   35 o  1503.09  134.347   36.979   6.2565   27.542   9.5929   43.964   8.2535  1226.09  258.036  1622.88  164.699 -396.7953 306.1178 
1 1 1    2   17   37 o  1691.11  129.104   46.905   6.7847   48.034   10.440   46.080   8.9269  1656.21  205.742  1644.86  176.057 11.35083 270.7871 
1 1 1    2   17   39 o  2024.46  120.184   67.520   7.5844   73.738   10.472   60.661   10.999  2074.24  162.538  1848.56  192.862 225.6802 252.2190 
1 1 1    2   17   41 o  787.330  222.430   12.477   5.7257   0.0000   0.0000   12.477   5.7257  ?   ?   787.330  222.430 0.000000 222.4295 
1 1 1    2   17   43 o  633.055  200.031   8.2232   4.4376   5.4206   8.9648   9.1328   5.1072  574.417  253.773  655.096  215.261 -80.67889 332.7734 
1 1 1    2   17   45 o  650.515  280.047   13.257   10.325   13.257   10.325   0.0000   0.0000  650.515  280.047  ?   ?  0.000000 280.0472 
1 1 1    2   17   47 o  931.549  154.400   17.169   4.3460   17.169   4.3460   0.0000   0.0000  931.549  154.400  ?   ?  0.000000 154.4002 
1 1 1    2   17   49 o  453.817  222.338   3.0766   10.677   3.0766   10.677   0.0000   0.0000  453.817  222.338  ?   ?  0.000000 222.3378 
1 1 1    2   17   51 o  266.604  120.866  -0.0187   2.1796  -0.0187   2.1796   0.0000   0.0000  266.604  120.866  ?   ?  0.000000 120.8663 
1 1 1    2   18    0 o  254.699  110.165  -0.2012   1.6130  -0.0179   2.7814  -0.2941   1.9800  343.003  146.447  280.245  121.633 62.75839 190.3714 
1 1 1    2   18    2 o  576.408  167.606   5.4308   3.2064   1.5995   4.2667   10.402   4.8600  465.630  188.480  787.697  197.428 -322.0667 272.9513 
1 1 1    2   18    4 o  1524.88   90.640   36.780   4.3084   41.867   7.6930   34.455   5.2004  1612.49  154.247  1471.34  113.761 141.1478 191.6603 
1 1 1    2   18    6 o  1713.14  110.715   46.623   5.9073   52.074   8.7131   41.985   8.0362  1798.51  156.272  1612.05  161.372 186.4655 224.6373 
1 1 1    2   18    8 o  328.048  134.963   0.5609   2.2314  -0.8002   4.0212   1.1664   2.6822  391.471  171.555  376.570  150.487 14.90070 228.2049 
1 1 1    2   18   10 o  945.090  102.844   14.290   2.9943   16.429   3.9490   11.397   4.5928  1008.69  127.904  824.591  182.686 184.0985 223.0102 
1 1 1    2   18   12 o  2176.77   95.114   74.886   6.4830   88.126   11.358   68.488   7.8954  2338.13  156.038  2071.97  122.237 266.1621 198.2163 
1 1 1    2   18   14 o  677.299  119.095   7.4988   2.4335   7.0356   3.1144   8.2250   3.8995  649.213  155.293  699.547  177.682 -50.33423 235.9809 
1 1 1    2   18   16 o  614.005  125.093   6.2160   2.3234   6.6733   2.9769   5.5034   3.7162  632.375  152.182  583.100  182.887 49.27466 237.9224 
1 1 1    2   18   18 o  341.592  131.776   1.2394   1.9955   3.2770   2.4801  -2.5019   3.3606  459.235  149.961  316.637  145.982 142.5975 209.2825 
1 1 1    2   18   20 o  1421.30   86.083   31.998   3.8130   33.995   5.1977   29.671   5.6109  1458.74  114.718  1357.23  133.766 101.5172 176.2200 
1 1 1    2   18   22 o  501.641  143.560   4.1277   2.3693   5.7922   3.0539   1.6109   3.7551  590.240  160.846  441.846  177.532 148.3930 239.5601 
1 1 1    2   18   24 o  2201.09  102.845   76.766   7.0883   74.772   12.275   77.763   8.6822  2136.88  185.281  2205.30  126.257 -68.41650 224.2095 
1 1 1    2   18   26 o  633.628  136.217   6.6644   2.6222   8.0110   3.3896   4.6575   4.1381  691.326  159.788  556.980  193.709 134.3463 251.1086 
1 1 1    2   18   28 o  812.829  132.633   10.846   3.2593   11.309   4.6207   10.388   4.5981  815.915  185.110  780.664  189.918 35.25018 265.2066 
1 1 1    2   18   30 o  1864.60   89.567   55.094   5.2294   58.997   7.1044   50.479   7.7254  1917.33  118.922  1764.11  141.035 153.2242 184.4813 
1 1 1    2   18   32 o  1050.67  132.754   18.042   4.2700   21.239   4.7196   3.6176   10.024  1140.49  134.763  673.763  282.367 466.7259 312.8774 
1 1 1    2   18   34 o  2235.67  171.322   82.933   11.902   82.933   11.902   0.0000   0.0000  2235.67  171.322  ?   ?  0.000000 171.3216 
1 1 1    2   18   36 o  493.131  200.690   2.2648   4.8674   0.0000   0.0000   2.2648   4.8674  ?   ?   493.131  200.690 0.000000 200.6899 
1 1 1    2   18   38 o  597.396  202.729   6.1665   4.5242  -3.1741   7.7238   11.045   5.5820  480.952  221.585  769.979  220.355 -289.0270 312.4996 
1 1 1    2   18   40 o  1016.25  127.739   17.520   3.9750   26.473   4.9108   0.5085   6.7694  1252.17  127.006  491.968  218.775 760.2047 252.9679 
1 1 1    2   18   42 o  358.246  149.360   1.0762   2.7838   1.8785   3.2727  -1.0234   5.2942  402.865  164.328  408.108  186.309 -5.243439 248.4246 
1 1 1    2   18   44 o  1023.09  324.320   31.980   11.658   31.980   11.658   0.0000   0.0000  1023.09  324.320  ?   ?  0.000000 324.3202 
1 1 1    2   18   46 o  491.861  235.639   0.9323   10.377   0.9323   10.377   0.0000   0.0000  491.861  235.639  ?   ?  0.000000 235.6390 
1 1 1    2   18   48 o  406.256  201.970  -6.8070   10.011  -6.8070   10.011   0.0000   0.0000  406.256  201.970  ?   ?  0.000000 201.9703 
1 1 1    2   18   50 o  575.952  184.221   8.3174   3.7551   8.3174   3.7551   0.0000   0.0000  575.952  184.221  ?   ?  0.000000 184.2211 
1 1 1    2   19    1 o  472.130  168.391   3.0931   3.1417   3.0931   3.1417   0.0000   0.0000  472.130  168.391  ?   ?  0.000000 168.3909 
1 1 1    2   19    3 o  481.178  145.712   3.7176   2.3842   6.7665   3.2470   0.1503   3.5122  638.220  162.154  388.971  165.281 249.2486 231.5419 
1 1 1    2   19    5 o  380.014  142.092   1.7480   2.2766   0.8484   3.2289   2.6374   3.2104  394.550  162.340  456.269  169.103 -61.71823 234.4143 
1 1 1    2   19    7 o  833.031  119.550   11.218   3.0290   14.364   5.6267   9.9341   3.5942  924.879  200.105  775.591  153.432 149.2886 252.1571 
1 1 1    2   19    9 o  1341.46   96.079   28.553   4.0090   33.334   7.1327   26.346   4.8471  1433.68  161.711  1282.92  122.136 150.7609 202.6513 
1 1 1    2   19   11 o  744.293  128.305   9.0450   2.8823   12.752   5.3861   7.5574   3.4119  869.705  201.698  673.347  163.465 196.3575 259.6204 
1 1 1    2   19   13 o  527.761  149.624   4.5692   2.5862   5.4176   3.4951   3.5426   3.8446  578.139  176.714  511.233  185.771 66.90668 256.3961 
1 1 1    2   19   15 o  301.218  130.958  -0.3542   2.3030  -1.0215   3.0180   0.5758   3.5632  329.347  146.286  403.103  168.599 -73.75635 223.2156 
1 1 1    2   19   17 o  734.395  117.142   8.7527   2.6033   11.513   3.3554   4.5787   4.1260  841.387  131.679  557.125  193.444 284.2617 234.0088 
1 1 1    2   19   19 o  788.567  115.708   10.055   2.7721   10.814   3.5326   8.8383   4.4720  812.002  144.223  726.322  193.249 85.67999 241.1329 
1 1 1    2   19   21 o  641.636  140.880   6.8127   2.7529   14.088   3.5634  -3.9571   4.3356  933.870  124.996  347.061  161.982 586.8091 204.6023 
1 1 1    2   19   23 o  1439.90   89.845   32.846   4.0306   33.722   5.4019   31.747   6.0540  1452.48  119.844  1403.87  139.570 48.61279 183.9629 
1 1 1    2   19   25 o  1950.99   90.381   60.128   5.5214   72.291   7.5526   46.165   8.0922  2130.86  113.604  1688.57  154.771 442.2833 191.9894 
1 1 1    2   19   27 o  1688.56   90.768   45.209   4.7816   42.333   6.4291   48.768   7.1530  1623.83  127.467  1741.99  132.120 -118.1588 183.5854 
1 1 1    2   19   29 o  721.566  150.851   8.6875   3.2986   4.4143   4.5527   13.410   4.7859  557.820  202.238  893.018  177.409 -335.1984 269.0244 
1 1 1    2   19   31 o  1100.94  123.812   19.620   4.1941   24.200   6.1034   15.522   5.7732  1209.90  165.438  953.027  199.845 256.8743 259.4375 
1 1 1    2   19   33 o  1279.49  129.986   26.596   5.1354   32.091   6.9060   19.799   7.6808  1393.84  161.208  1058.22  237.618 335.6241 287.1414 
1 1 1    2   19   35 f  549.999  188.398   4.8225   3.9075   4.8225   3.9075   0.0000   0.0000  549.999  188.398  ?   ?  0.000000 188.3977 
1 1 1    2   19   37 o  1167.53  151.102   23.041   5.3944   23.041   5.3944   0.0000   0.0000  1167.53  151.102  ?   ?  0.000000 151.1019 
1 1 1    2   19   39 o  583.119  249.615   3.6186   8.1188   3.6186   8.1188   0.0000   0.0000  583.119  249.615  ?   ?  0.000000 249.6149 
1 1 1    2   19   41 o  712.786  287.333   11.287   9.8717   11.287   9.8717   0.0000   0.0000  712.786  287.333  ?   ?  0.000000 287.3327 
1 1 1    2   19   43 o  302.114  137.956  -1.1270   2.9051  -1.1524   3.4473  -1.0649   5.3962  328.991  150.249  406.234  186.437 -77.24350 239.4441 
1 1 1    2   19   45 o  495.880  189.385   4.7199   4.0941   4.7199   4.0941   0.0000   0.0000  495.880  189.385  ?   ?  0.000000 189.3853 
1 1 1    2   19   47 o  467.843  227.464  -1.2492   10.579  -1.2492   10.579   0.0000   0.0000  467.843  227.464  ?   ?  0.000000 227.4637 
1 1 1    2   19   49 o  451.288  223.823  -0.5216   12.011  -0.5216   12.011   0.0000   0.0000  451.288  223.823  ?   ?  0.000000 223.8234 
1 1 1    2   20    0 o  1108.72  129.506   19.747   4.4113   19.747   4.4113   0.0000   0.0000  1108.72  129.506  ?   ?  0.000000 129.5056 
1 1 1    2   20    2 o  1438.31  101.448   32.802   4.5396   38.613   5.4536   19.692   8.1918  1558.97  112.475  1076.35  248.140 482.6183 272.4411 
1 1 1    2   20    4 o  555.992  148.212   5.0931   2.6272   2.7982   3.5354   7.9236   3.9263  475.074  177.180  690.216  179.854 -215.1420 252.4687 
1 1 1    2   20    6 o  774.445  126.512   9.7429   2.9620   11.216   3.9747   7.9034   4.4418  825.020  159.630  691.074  196.147 133.9459 252.8937 
1 1 1    2   20    8 o  671.742  141.217   7.4335   2.8761   8.3047   5.3251   7.0747   3.4174  713.007  218.158  652.977  166.596 60.03009 274.4943 
1 1 1    2   20   10 o  1479.69   84.187   34.573   3.8845   42.599   5.5581   26.910   5.4311  1638.64  108.946  1295.20  135.944 343.4418 174.2122 
1 1 1    2   20   12 o  831.174  142.531   11.275   3.5760   12.730   5.9616   10.457   4.4693  869.786  219.026  792.114  183.750 77.67230 285.8963 
1 1 1    2   20   14 o  399.906  161.098   1.1922   3.1009   10.271   5.4138  -3.2405   3.7828  783.976  214.376  329.253  152.876 454.7237 263.3026 
1 1 1    2   20   16 o  829.956  142.320   11.242   3.5655   0.7657   6.0844   16.722   4.4001  519.447  218.958  1016.42  142.141 -496.9763 261.0496 
1 1 1    2   20   18 o  1257.98   94.204   25.083   3.6838   23.600   4.9747   26.883   5.4814  1212.47  133.230  1294.03  137.380 -81.55042 191.3724 
1 1 1    2   20   20 o  994.058  103.542   15.771   3.1756   13.156   4.1315   19.547   4.9642  896.349  152.674  1098.16  148.148 -201.8094 212.7373 
1 1 1    2   20   22 o  903.174  112.818   13.109   3.1210   14.340   4.0693   11.350   4.8637  938.445  143.001  822.263  192.330 116.1823 239.6665 
1 1 1    2   20   24 o  518.216  165.750   4.2408   3.0398   5.9057   4.0827   2.1697   4.5536  606.231  191.900  492.000  196.255 114.2310 274.4840 
1 1 1    2   20   26 o  923.332  131.686   13.847   3.6994   15.877   5.3189   11.946   5.1488  976.320  180.638  840.236  198.801 136.0848 268.6112 
1 1 1    2   20   28 o  1726.80  106.662   47.460   5.7390   52.594   8.7258   43.545   7.6188  1801.87  156.200  1640.61  149.967 161.2599 216.5373 
1 1 1    2   20   30 o  729.837  161.898   8.9318   3.6030   4.4957   4.9441   13.956   5.2616  571.199  210.192  907.973  191.114 -336.7742 284.0866 
1 1 1    2   20   32 o  1728.03   98.518   47.584   5.3086   49.832   7.1390   44.803   7.9397  1757.04  130.695  1655.40  154.978 101.6448 202.7294 
1 1 1    2   20   34 o  281.674  133.191  -3.3807   3.1028   0.3264   3.7480 -11.4548   5.5314  399.242  170.217  313.924  155.003 85.31854 230.2171 
1 1 1    2   20   36 o  930.077  144.013   14.567   4.0585   9.9672   4.9940   23.515   6.9650  743.485  206.923  1153.72  200.048 -410.2375 287.8133 
1 1 1    2   20   38 o  1033.73  136.106   18.062   4.2984   20.759   5.3013   12.887   7.3443  1095.20  159.250  803.868  257.690 291.3352 302.9274 
1 1 1    2   20   40 o  504.042  197.743   3.7430   4.5521   3.7430   4.5521   0.0000   0.0000  504.042  197.743  ?   ?  0.000000 197.7434 
1 1 1    2   20   42 o  980.446  330.866   26.812   12.050   26.812   12.050   0.0000   0.0000  980.446  330.866  ?   ?  0.000000 330.8661 
1 1 1    2   20   44 o  481.194  232.457  -4.9360   10.610  -4.9360   10.610   0.0000   0.0000  481.194  232.457  ?   ?  0.000000 232.4566 
1 1 1    2   20   46 o  652.709  288.181   14.133   11.543   14.133   11.543   0.0000   0.0000  652.709  288.181  ?   ?  0.000000 288.1809 
1 1 1    2   20   48 o  650.707  205.818   10.228   4.6972   10.228   4.6972   0.0000   0.0000  650.707  205.818  ?   ?  0.000000 205.8177 
1 1 1    2   21    1 o  1188.62   96.140   22.387   3.5476   20.650   4.7407   24.598   5.3481  1134.20  136.209  1238.39  140.401 -104.1835 195.6149 
1 1 1    2   21    3 o  1089.37  118.489   18.953   3.9766   22.371   4.7341   10.761   7.3289  1182.42  130.010  815.241  257.007 367.1823 288.0193 
1 1 1    2   21    5 o  1289.25  110.120   26.400   4.4029   26.623   5.2361   25.860   8.1350  1290.88  131.369  1251.58  215.344 39.30518 252.2516 
1 1 1    2   21    7 o  586.069  172.482   5.5668   3.3775   9.5147   5.3819   3.0018   4.3381  759.069  216.070  512.562  195.140 246.5068 291.1464 
1 1 1    2   21    9 o  1370.49   93.466   29.696   3.9870   30.970   5.3973   28.165   5.9152  1394.50  124.930  1325.34  144.896 69.15674 191.3180 
1 1 1    2   21   11 o  798.519  116.686   10.272   2.8315   13.171   4.1322   7.7065   3.8876  898.997  152.225  682.639  179.492 216.3578 235.3502 
1 1 1    2   21   13 f  1630.21   89.061   41.935   4.5290   46.373   6.2126   36.902   6.6163  1709.94  116.729  1519.72  140.634 190.2135 182.7659 
1 1 1    2   21   15 o  903.228  120.291   13.112   3.3175   9.9553   4.4779   16.953   4.9393  773.667  186.931  1020.62  159.800 -246.9499 245.9253 
1 1 1    2   21   17 o  716.069  169.256   8.5045   3.7351   11.851   6.2089   6.6066   4.6758  841.186  229.395  645.123  205.487 196.0632 307.9717 
1 1 1    2   21   19 o  619.471  205.884   5.9226   4.6671   0.0000   0.0000   5.9226   4.6671  ?   ?   619.471  205.884 0.000000 205.8843 
1 1 1    2   21   21 o  358.212  164.380  -2.9044   4.1933   0.0000   0.0000  -2.9044   4.1933  ?   ?   358.212  164.380 0.000000 164.3798 
1 1 1    2   21   23 o  949.610  129.151   14.568   3.7406   14.659   5.2667   14.475   5.3138  938.745  185.750  932.024  188.554 6.720520 264.6803 
1 1 1    2   21   25 o  946.492  154.455   14.674   4.4197   18.504   7.3506   12.505   5.5312  1043.49  231.062  860.555  207.652 182.9346 310.6592 
1 1 1    2   21   27 o  2159.95   93.880   73.678   6.3494   75.749   8.6116   71.210   9.3989  2178.88  126.769  2106.85  143.323 72.03418 191.3422 
1 1 1    2   21   29 o  724.940  153.051   8.7473   3.3651   10.481   4.2760   5.9262   5.4543  789.507  177.304  629.647  222.160 159.8597 284.2383 
1 1 1    2   21   31 o  1100.61  129.923   19.664   4.3912   14.446   6.3331   24.495   6.0940  911.967  223.516  1218.34  163.899 -306.3735 277.1677 
1 1 1    2   21   33 o  965.893  168.364   15.755   4.9070   23.268   8.4410   11.920   6.0307  1140.04  243.838  819.709  227.122 320.3316 333.2285 
1 1 1    2   21   35 f  607.198  184.633   6.3660   3.8223   5.7793   4.6178   7.6426   6.8120  592.347  204.707  678.336  247.160 -85.98920 320.9250 
1 1 1    2   21   37 o  1029.95  147.104   18.020   4.6093   24.496   5.5907   4.2750   8.1449  1200.21  152.180  610.040  255.006 590.1742 296.9627 
1 1 1    2   21   39 o  318.004  151.499  -4.4229   4.1636  -4.4229   4.1636   0.0000   0.0000  318.004  151.499  ?   ?  0.000000 151.4989 
1 1 1    2   21   41 o  862.226  226.258   15.004   6.1854   35.719   10.213   3.0040   7.7731  1307.30  258.654  550.328  239.912 756.9695 352.7883 
1 1 1    2   21   43 o  435.131  197.922  -0.5009   5.9062  -6.6109   10.985   1.9837   7.0048  488.747  236.210  503.002  223.167 -14.25443 324.9601 
1 1 1    2   21   45 o  472.999  230.607  -6.3477   11.084  -6.3477   11.084   0.0000   0.0000  472.999  230.607  ?   ?  0.000000 230.6071 
1 1 1    2   22    0 o  844.053  124.230   11.474   3.1851   10.066   4.2093   13.359   4.8719  780.791  176.336  901.429  178.915 -120.6380 251.2074 
1 1 1    2   22    2 o  1200.99  100.777   22.853   3.7548   25.868   4.9698   18.842   5.7314  1274.31  126.209  1075.46  176.307 198.8516 216.8250 
1 1 1    2   22    4 o  534.530  160.630   4.5732   2.9056   3.9489   3.7703   5.4863   4.5596  527.839  184.826  604.542  203.529 -76.70300 274.9270 
1 1 1    2   22    6 o  734.545  166.663   8.8985   3.7454   10.639   5.7496   7.6155   4.9364  802.118  221.581  688.067  209.956 114.0516 305.2537 
1 1 1    2   22    8 o  716.494  164.095   8.4666   3.6023   9.2216   4.2156   6.4230   6.9354  746.572  181.983  687.693  249.568 58.87976 308.8722 
1 1 1    2   22   10 o  1267.26  114.376   25.517   4.4896   29.513   5.3121   15.525   8.3996  1361.66  126.019  963.141  268.466 398.5226 296.5713 
1 1 1    2   22   12 o  979.771  105.779   15.294   3.1937   16.499   4.6624   14.228   4.3837  1009.37  152.250  935.238  155.128 74.12891 217.3588 
1 1 1    2   22   14 o  1063.44  103.371   17.979   3.3986   18.164   4.8775   17.805   4.7383  1059.92  151.252  1049.87  148.262 10.05237 211.7988 
1 1 1    2   22   16 o  1078.52  123.264   18.612   4.0880   20.517   6.4626   17.341   5.2782  1117.65  191.557  1030.67  169.439 86.98584 255.7419 
1 1 1    2   22   18 o  828.682  152.192   11.242   3.8036   14.004   5.3530   8.4258   5.4055  918.544  192.283  719.968  219.708 198.5761 291.9665 
1 1 1    2   22   20 o  475.564  161.517   3.3489   2.8718   3.0542   3.5739   3.8859   4.8245  486.426  178.751  555.645  207.028 -69.21915 273.5187 
1 1 1    2   22   22 o  645.831  193.457   6.7940   4.2196   4.6754   7.3890   7.8192   5.1401  650.611  252.850  694.448  214.645 -43.83704 331.6711 
1 1 1    2   22   24 o  1131.98  144.611   20.703   5.0086   22.534   8.7269   19.804   6.1162  1151.84  249.205  1096.28  184.741 55.55688 310.2133 
1 1 1    2   22   26 o  621.546  204.977   6.0524   4.6293   16.477   8.0257   0.8547   5.6671  979.576  258.056  503.496  211.726 476.0793 333.7975 
1 1 1    2   22   28 o  1115.18  117.064   19.960   4.0268   22.566   5.1225   15.746   6.5148  1180.21  141.431  960.503  221.182 219.7081 262.5339 
1 1 1    2   22   30 o  1356.05  111.744   29.467   4.7025   30.167   5.5835   27.759   8.7221  1366.01  132.192  1272.02  227.326 93.99243 262.9669 
1 1 1    2   22   32 o  552.428  195.875   4.6176   4.2450   5.3645   5.4163   3.4282   6.8350  602.225  220.242  587.349  238.273 14.87610 324.4700 
1 1 1    2   22   34 o  966.797  206.924   16.541   6.0750   20.863   8.9947   12.916   8.2377  1050.21  271.522  834.964  273.339 215.2496 385.2774 
1 1 1    2   22   36 o  652.664  191.273   7.5562   4.1612   6.2605   4.9892   10.518   7.5428  609.309  212.653  754.238  261.572 -144.9287 337.1073 
1 1 1    2   22   38 o  580.133  215.918   5.4851   5.2449   5.4851   5.2449   0.0000   0.0000  580.133  215.918  ?   ?  0.000000 215.9180 
1 1 1    2   22   40 o  748.438  192.348   10.471   4.5323   12.300   5.4172   6.2031   8.2743  799.071  212.735  628.435  259.373 170.6363 335.4561 
1 1 1    2   22   42 o  571.572  231.858   5.3626   6.4715  -6.2902   11.631   10.588   7.7885  516.603  248.014  702.045  262.755 -185.4423 361.3187 
1 1 1    2   22   44 o  560.250  262.939   1.0894   11.693   1.0894   11.693   0.0000   0.0000  560.250  262.939  ?   ?  0.000000 262.9392 
1 1 1    2   23    1 o  620.519  163.475   6.3175   3.2207   8.5638   4.1236   2.8040   5.1572  720.617  182.544  537.912  210.633 182.7050 278.7267 
1 1 1    2   23    3 o  1414.26   97.681   31.593   4.2992   34.685   5.7094   27.545   6.5336  1478.27  124.502  1309.09  162.917 169.1865 205.0435 
1 1 1    2   23    5 o  494.153  180.085   3.1723   3.6167   5.2174   5.5768   1.6878   4.7513  621.032  224.034  491.585  198.927 129.4464 299.6050 
1 1 1    2   23    7 o  1195.33  124.640   22.768   4.5965   27.040   5.3778   11.184   8.8550  1302.20  133.792  849.561  283.645 452.6401 313.6157 
1 1 1    2   23    9 o  587.753  171.674   5.5862   3.3572   2.1250   4.4224   10.294   5.1574  490.202  194.076  788.619  206.440 -298.4163 283.3429 
1 1 1    2   23   11 o  820.076  145.203   10.945   3.5921   9.2791   6.2784   11.756   4.3798  760.926  237.560  845.756  171.258 -84.82977 292.8552 
1 1 1    2   23   13 o  363.388  165.691  -2.6379   4.1712  -1.8864   5.0851  -4.1839   7.2931  424.617  189.167  483.999  220.068 -59.38171 290.1966 
1 1 1    2   23   15 o  741.916  178.109   9.1082   4.0853   9.5243   4.6404   7.6743   8.6138  758.094  194.521  755.586  277.531 2.507263 338.9132 
1 1 1    2   23   17 o  419.612  153.715   2.2508   2.6399   2.7603   3.7325   1.7407   3.7343  482.593  181.646  448.725  178.123 33.86819 254.4073 
1 1 1    2   23   19 o  1306.20   98.666   27.016   4.0057   29.105   5.5904   24.811   5.7426  1349.89  134.031  1241.84  150.773 108.0488 201.7347 
1 1 1    2   23   21 o  896.938  133.749   13.007   3.6415   14.919   4.6145   9.8513   5.9289  956.220  159.753  773.626  228.766 182.5938 279.0246 
1 1 1    2   23   23 o  1285.86  108.011   26.280   4.3086   29.466   5.6105   21.700   6.7269  1356.97  133.782  1147.49  194.142 209.4806 235.7725 
1 1 1    2   23   25 f  883.488  151.563   12.784   4.0419   12.761   4.7094   12.849   7.8756  876.530  177.670  874.532  264.826 1.998047 318.9032 
1 1 1    2   23   27 o  992.589  203.924   16.617   6.1260   15.958   9.1722   17.147   8.2311  958.851  284.773  993.843  261.107 -34.99139 386.3579 
1 1 1    2   23   29 o  1009.95  208.600   17.424   6.3784   17.339   9.6933   17.489   8.4707  984.599  292.826  993.233  266.727 -8.633728 396.0939 
1 1 1    2   23   31 o  319.310  154.186  -6.9120   4.6557  -2.4929   7.6806  -9.4788   5.8537  508.101  228.930  347.966  169.186 160.1350 284.6629 
1 1 1    2   23   33 f  1088.51  148.247   19.694   4.9214   20.199   5.9951   18.650   8.6178  1087.16  182.583  1000.37  269.197 86.79260 325.2747 
1 1 1    2   23   35 o  577.712  226.969   4.3834   6.0052   6.8038   9.1473   2.5502   7.9610  692.337  277.469  586.637  249.039 105.6999 372.8398 
1 1 1    2   23   37 o  1152.00  177.680   23.116   6.2032   23.116   6.2032   0.0000   0.0000  1152.00  177.680  ?   ?  0.000000 177.6804 
1 1 1    2   23   39 o  429.098  185.035   0.6337   4.5227   4.1963   5.4286  -7.4504   8.1775  545.054  215.268  440.848  210.655 104.2068 301.1907 
1 1 1    2   23   41 o  459.822  191.908   2.0380   4.6025   1.5003   5.4283   3.4131   8.6808  472.313  203.195  581.797  253.585 -109.4843 324.9512 
1 1 1    2   23   43 o  692.012  254.661   10.351   7.2575   22.176   12.596   4.4740   8.8797  882.670  333.359  582.683  255.152 299.9875 419.7990 
1 1 1    2   24    0 o  627.659  179.825   6.3938   3.7155   5.5086   4.2681   9.1640   7.5503  600.322  196.762  777.684  261.905 -177.3621 327.5813 
1 1 1    2   24    2 o  715.192  160.193   8.4050   3.4983   7.8477   4.4715   9.2843   5.6167  693.704  196.771  756.062  222.404 -62.35870 296.9546 
1 1 1    2   24    4 o  604.099  195.361   5.6381   4.2141   4.1367   6.5135   6.7190   5.5267  618.453  238.219  667.920  224.081 -49.46741 327.0478 
1 1 1    2   24    6 o  1628.66  113.041   41.943   5.7291   38.314   9.2944   44.167   7.2757  1540.22  197.248  1667.07  140.694 -126.8502 242.2843 
1 1 1    2   24    8 o  433.711  179.257   0.8537   3.9601   7.3179   6.1288  -3.7796   5.1888  698.221  235.962  396.964  182.417 301.2566 298.2521 
1 1 1    2   24   10 f  606.638  172.872   5.9799   3.4431   8.0713   6.0620   4.9840   4.1833  720.458  234.415  578.345  194.949 142.1129 304.8860 
1 1 1    2   24   12 o  497.575  165.896   3.7105   3.0293   5.4193   4.5945   2.3963   4.0292  603.532  204.301  482.930  186.984 120.6020 276.9510 
1 1 1    2   24   14 o  558.494  166.396   5.0076   3.1279   10.569   4.6801   0.5183   4.2049  799.317  189.818  436.059  182.821 363.2576 263.5420 
1 1 1    2   24   16 o  496.029  182.260   3.1381   3.7154   0.8783   4.1259   12.829   8.5440  441.790  182.814  889.228  277.049 -447.4379 331.9289 
1 1 1    2   24   18 o  1219.89  133.857   23.790   5.0290   28.116   5.6606   7.5864   10.956  1326.50  138.317  803.757  309.129 522.7464 338.6627 
1 1 1    2   24   20 o  344.557  158.102  -2.7474   3.8782  -2.7474   3.8782   0.0000   0.0000  344.557  158.102  ?   ?  0.000000 158.1025 
1 1 1    2   24   22 o  587.962  194.544   5.3154   4.1688  -0.0000   7.6215   7.5846   4.9798  562.208  241.288  684.985  211.197 -122.7767 320.6620 
1 1 1    2   24   24 o  563.915  172.844   5.1210   3.3410   3.4186   4.4336   7.3580   5.0822  526.910  198.041  675.939  214.119 -149.0284 291.6632 
1 1 1    2   24   26 o  320.993  154.710  -6.9063   4.6340  -5.9694   7.5324  -7.4768   5.8780  463.203  215.288  374.668  178.911 88.53503 279.9251 
1 1 1    2   24   28 o  571.176  178.854   5.3039   3.5558   4.5697   4.2713   6.9613   6.4178  556.541  196.572  676.883  240.752 -120.3424 310.8087 
1 1 1    2   24   30 o  930.006  146.347   14.293   4.1209   15.753   5.0309   11.316   7.1841  968.386  172.223  807.065  254.460 161.3212 307.2632 
1 1 1    2   24   32 o  478.801  204.999   0.5405   5.4778   0.2428   8.9510   0.7187   6.9262  586.796  256.583  533.377  229.494 53.41907 344.2421 
1 1 1    2   24   34 o  708.406  242.911   8.6315   6.4961   12.790   10.037   5.6332   8.5219  838.694  300.776  665.098  267.369 173.5955 402.4328 
1 1 1    2   24   36 o  474.184  228.022 -10.8948   9.9245 -10.8948   9.9245   0.0000   0.0000  474.184  228.022  ?   ?  0.000000 228.0220 
1 1 1    2   24   38 o  525.165  208.294   3.5257   5.1026   3.9387   6.2263   2.6813   8.9042  562.972  227.754  598.961  258.952 -35.98816 344.8589 
1 1 1    2   24   40 o  293.245  143.652  -7.6566   4.4535  -4.3172   5.1877 -17.0121   8.6831  367.388  173.264  380.010  188.783 -12.62158 256.2409 
1 1 1    2   25    1 o  552.477  210.653   3.3972   5.0600   4.4966   6.5421   1.7602   7.9830  629.497  239.643  613.725  254.152 15.77216 349.3166 
1 1 1    2   25    3 o  614.631  226.939   4.7732   5.7712   0.0000   0.0000   4.7732   5.7712  ?   ?   614.631  226.939 0.000000 226.9391 
1 1 1    2   25    5 o  586.503  198.756   5.0774   4.3485   9.3387   6.5670   1.7497   5.8031  769.132  243.368  535.877  218.729 233.2543 327.2160 
1 1 1    2   25    7 o  370.095  161.512  -0.7067   3.5312   1.0647   4.5432  -3.4099   5.6125  466.794  192.374  423.947  192.875 42.84717 272.4122 
1 1 1    2   25    9 o  262.433  125.337  -3.9107   2.8872  -4.5269   4.4422  -3.4600   3.7991  346.551  162.459  327.826  152.543 18.72488 222.8502 
1 1 1    2   25   11 o  789.252  154.254   10.175   3.6755   14.496   5.3120   6.2064   5.0909  939.871  187.076  642.312  215.066 297.5584 285.0452 
1 1 1    2   25   13 o  669.814  166.955   7.3816   3.4892   8.0546   5.0555   6.7694   4.8218  706.758  211.766  656.906  208.610 49.85150 297.2593 
1 1 1    2   25   15 o  411.356  166.192   1.1731   3.3104   10.185   4.2778 -12.2815   5.2270  785.793  177.986  298.800  148.100 486.9932 231.5435 
1 1 1    2   25   17 o  1168.82  120.142   21.763   4.3344   26.576   5.5722   14.390   6.8974  1289.21  140.298  928.391  236.582 360.8170 275.0539 
1 1 1    2   25   19 o  334.204  148.186  -1.0438   3.0840  -4.8103   4.0832   3.9580   4.7054  321.391  152.215  555.517  204.955 -234.1261 255.2960 
1 1 1    2   25   21 o  520.694  189.461   3.6088   4.0008   5.0807   4.3569  -4.3075   10.104  583.170  198.940  581.931  262.350 1.239380 329.2489 
1 1 1    2   25   23 o  542.608  193.007   4.1591   4.1248   5.3207   4.4379  -3.2118   11.179  592.067  200.787  626.323  279.646 -34.25616 344.2637 
1 1 1    2   25   25 o  729.237  192.950   8.9430   4.4742   7.7326   4.8910   15.151   11.077  684.775  208.995  948.143  317.233 -263.3679 379.8891 
1 1 1    2   25   27 o  777.947  159.875   10.096   3.7643   10.677   5.1207   9.4138   5.5524  791.502  204.985  746.287  221.548 45.21521 301.8317 
1 1 1    2   25   29 o  409.540  167.300   1.1542   3.3986   5.1589   4.5334  -3.9845   5.1353  581.732  202.727  384.413  178.358 197.3185 270.0184 
1 1 1    2   25   31 o  729.915  186.568   9.1452   4.2803   12.378   5.1991   2.3439   7.5405  846.188  199.476  586.795  245.332 259.3934 316.1938 
1 1 1    2   25   33 o  545.167  210.817   3.7420   5.1168   2.7393   6.1548   5.9856   9.2071  549.870  224.943  692.119  278.023 -142.2482 357.6255 
1 1 1    2   25   35 o  825.599  242.163   12.456   6.6675   12.456   6.6675   0.0000   0.0000  825.599  242.163  ?   ?  0.000000 242.1627 
1 1 1    2   25   37 o  769.830  258.365   10.986   7.3473   4.9970   11.406   15.233   9.6055  692.738  296.187  878.659  295.410 -185.9210 418.3224 
1 1 1    2   25   39 o  387.337  188.046  -9.7907   7.1598 -13.7955   11.117  -6.9521   9.3592  476.336  231.952  485.509  230.091 -9.173096 326.7164 
1 1 1    2   26    0 o  1165.94  196.613   22.111   6.9227   0.0000   0.0000   22.111   6.9227  ?   ?   1165.94  196.613 0.000000 196.6127 
1 1 1    2   26    2 o  505.643  209.883   1.0245   5.4625   4.4291   7.0625  -4.0448   8.6177  643.684  248.022  540.313  243.058 103.3707 347.2638 
1 1 1    2   26    4 o  505.903  183.545   3.3387   3.7509   4.5889   4.7007   1.1474   6.2233  579.002  206.032  538.672  223.844 40.32959 304.2292 
1 1 1    2   26    6 o  630.627  189.162   6.3628   4.0322   3.5631   5.2624   10.344   6.2753  564.357  214.910  798.724  235.118 -234.3672 318.5384 
1 1 1    2   26    8 o  975.171  134.376   15.258   3.9942   12.252   5.7545   18.053   5.5484  861.114  214.280  1054.82  174.055 -193.7115 276.0638 
1 1 1    2   26   10 o  1028.17  146.335   17.007   4.5782   19.225   6.0452   14.024   7.0107  1086.91  184.203  919.946  240.628 166.9609 303.0394 
1 1 1    2   26   12 o  808.525  169.537   10.732   4.1550   12.794   5.5770   8.1590   6.2291  879.333  206.134  726.504  237.683 152.8282 314.6183 
1 1 1    2   26   14 o  1210.75  122.363   23.334   4.5753   26.628   5.7434   17.614   7.5689  1290.31  144.644  1027.79  239.606 262.5227 279.8801 
1 1 1    2   26   16 o  305.518  142.643  -3.2163   3.3669  -2.2871   4.9321  -4.0272   4.6075  409.561  184.092  362.612  168.483 46.94879 249.5524 
1 1 1    2   26   18 o  699.520  167.307   8.0946   3.6153   8.3308   4.9242   7.8185   5.3249  713.003  207.816  698.703  218.884 14.30017 301.8240 
1 1 1    2   26   20 o  799.572  156.887   10.519   3.7876   8.1966   5.1651   13.220   5.5709  708.686  214.433  889.103  204.383 -180.4171 296.2328 
1 1 1    2   26   22 o  661.462  188.530   7.2308   4.0947   5.8399   6.1762   8.3217   5.4694  648.162  235.468  714.251  221.522 -66.08856 323.2911 
1 1 1    2   26   24 o  489.235  181.684   3.0567   3.7095   1.0511   5.1538   5.2127   5.3435  486.899  203.131  607.693  219.287 -120.7939 298.9130 
1 1 1    2   26   26 o  1003.63  250.548   17.469   7.8493   28.004   9.9786   0.3710   12.713  1272.10  259.311  706.834  307.496 565.2616 402.2387 
1 1 1    2   26   28 o  314.807  149.784  -4.9170   4.0427  -4.8491   4.2762  -5.4879   12.403  328.588  155.667  622.971  284.697 -294.3831 324.4760 
1 1 1    2   26   30 o  740.454  203.974   9.4015   4.8801   8.5446   5.2172   15.397   13.800  709.705  215.685  950.066  350.904 -240.3605 411.8901 
1 1 1    2   26   32 o  916.542  160.584   14.073   4.4406   13.296   5.6327   15.349   7.2183  873.823  208.726  927.168  244.962 -53.34479 321.8270 
1 1 1    2   26   34 o  735.850  207.673   9.4839   4.9938   1.9661   7.3979   15.777   6.7686  569.784  240.875  938.225  231.757 -368.4407 334.2635 
1 1 1    2   26   36 f  316.221  155.382 -10.0406   5.3364 -15.4543   6.4045   2.2542   9.6515  318.523  158.863  625.804  270.079 -307.2812 313.3376 
1 1 1    2   27    1 o  711.671  189.503   8.3011   4.2981   5.9356   5.5617   11.809   6.7725  644.817  224.553  849.921  242.539 -205.1044 330.5284 
1 1 1    2   27    3 o  909.158  220.012   13.663   6.1957   0.3657   7.8893   35.059   10.008  584.406  247.995  1468.31  224.828 -883.8995 334.7369 
1 1 1    2   27    5 o  451.199  199.719  -1.7852   5.5785  -6.6400   7.0659   6.2475   9.0891  443.016  206.774  739.446  282.234 -296.4299 349.8736 
1 1 1    2   27    7 o  322.522  154.566  -6.3319   4.4733 -14.5267   7.5797  -1.9523   5.5412  384.168  188.027  446.143  198.188 -61.97433 273.1892 
1 1 1    2   27    9 o  636.357  191.719   6.4867   4.1353   2.7253   5.6035   10.985   6.1281  552.438  218.542  817.849  229.786 -265.4107 317.1158 
1 1 1    2   27   11 f  919.886  154.110   13.734   4.2819   9.9424   6.2928   17.004   5.8433  783.794  236.583  1018.54  190.211 -234.7447 303.5649 
1 1 1    2   27   13 o  647.664  184.353   6.8410   3.9179   8.1035   5.3783   5.4135   5.7189  711.228  219.518  630.175  226.932 81.05249 315.7308 
1 1 1    2   27   15 o  1196.20  121.559   22.806   4.4899   23.079   6.2659   22.517   6.4368  1192.94  172.773  1176.22  180.537 16.71887 249.8888 
1 1 1    2   27   17 o  264.066  128.221  -5.6982   3.3323  -4.7741   4.5546  -6.7626   4.8884  347.663  163.466  337.816  161.811 9.847107 230.0087 
1 1 1    2   27   19 o  678.475  192.462   7.5845   4.2777   14.412   6.6199   2.6899   5.6051  925.250  229.587  547.747  217.976 377.5022 316.5809 
1 1 1    2   27   21 o  624.370  182.746   6.3819   3.8007   3.7924   5.1740   9.4168   5.6013  562.630  213.374  754.055  222.180 -191.4251 308.0463 
1 1 1    2   27   23 o  734.219  179.700   9.0116   4.0978   11.274   5.5774   6.3576   6.0407  817.505  215.011  659.292  233.670 158.2128 317.5394 
1 1 1    2   27   25 o  882.321  164.571   12.887   4.3794   18.196   5.9821   6.7557   6.4290  1045.01  189.807  676.620  240.930 368.3896 306.7146 
1 1 1    2   27   27 o  841.150  172.755   11.834   4.3978   17.823   5.8701   4.1720   6.6396  1032.13  188.583  610.521  239.014 421.6087 304.4527 
1 1 1    2   27   29 o  378.850  166.042  -0.6840   3.7678   1.0972   4.9356  -3.1718   5.8330  475.901  198.684  430.006  196.016 45.89493 279.1014 
1 1 1    2   27   31 o  630.817  215.921   6.2983   5.1325   8.5976   5.4452 -12.0177   15.369  712.703  221.028  632.127  298.148 80.57538 371.1411 
1 1 1    2   27   33 o  523.950  221.153   1.3346   6.2204   1.3346   6.2204   0.0000   0.0000  523.950  221.153  ?   ?  0.000000 221.1530 
1 1 1    2   28    0 o  804.406  209.521   10.670   5.3299   12.774   6.0395   3.2601   11.333  878.676  220.005  739.980  304.263 138.6957 375.4707 
1 1 1    2   28    2 o  612.553  215.050   5.2964   5.1058   6.7222   5.6863  -0.6370   11.600  671.788  227.283  686.762  296.238 -14.97369 373.3824 
1 1 1    2   28    4 o  579.381  212.953   4.2869   5.0728   2.1223   5.7037   12.479   11.096  540.925  218.283  915.521  317.268 -374.5955 385.1058 
1 1 1    2   28    6 o  663.332  193.592   7.1236   4.2707   6.2048   6.1076   8.0025   5.9738  664.537  235.022  717.529  232.659 -52.99243 330.7049 
1 1 1    2   28    8 o  473.373  196.714   0.8859   4.8064  -3.1476   8.6691   2.6759   5.7753  553.354  246.721  556.871  221.369 -3.517273 331.4750 
1 1 1    2   28   10 o  588.056  213.589   4.5851   5.0814 -10.6136   9.2979   11.058   6.0677  485.655  229.920  818.796  228.156 -333.1408 323.9115 
1 1 1    2   28   12 o  771.559  202.054   9.8501   4.9393   20.545   9.1793   5.4914   5.8600  1105.16  268.016  635.894  229.613 469.2696 352.9235 
1 1 1    2   28   14 o  721.096  185.454   8.5998   4.2111   8.9872   5.7257   8.1433   6.2151  744.545  225.880  723.266  237.454 21.27887 327.7290 
1 1 1    2   28   16 o  540.021  196.544   3.8619   4.3059   4.2823   5.4776   3.1820   6.9663  588.626  220.344  606.362  242.449 -17.73615 327.6171 
1 1 1    2   28   18 f  670.348  187.903   7.3985   4.1028   2.4974   5.5829   13.153   6.0495  542.565  217.008  886.045  219.242 -343.4803 308.4795 
1 1 1    2   28   20 o  766.412  193.655   9.7987   4.6492   8.7472   6.9419   10.654   6.2607  748.845  251.138  801.057  234.571 -52.21222 343.6476 
1 1 1    2   28   22 o  566.346  194.386   4.7762   4.1604   6.5949   5.6549   2.6303   6.1428  660.169  226.624  563.293  226.804 96.87555 320.6216 
1 1 1    2   28   24 o  803.624  182.515   10.801   4.4880   18.308   6.0691   1.7411   6.6670  1049.53  191.741  559.648  232.051 489.8855 301.0188 
1 1 1    2   28   26 o  366.519  172.034  -4.9368   5.0078 -26.1350   10.458   1.3703   5.7043  406.331  202.713  515.401  214.252 -109.0695 294.9517 
1 1 1    2   28   28 o  674.811  208.975   7.5120   4.8695   12.482   7.0645   3.0128   6.7213  852.883  249.010  585.615  236.732 267.2677 343.5817 
1 1 1    2   28   30 o  653.950  251.337   5.4586   7.2393   0.0000   0.0000   5.4586   7.2393  ?   ?   653.950  251.337 0.000000 251.3374 
1 1 1    2   29    1 o  420.227  195.344  -5.4615   6.2054 -13.3232   7.5387   11.058   10.928  392.389  191.060  880.945  314.070 -488.5556 367.6190 
1 1 1    2   29    3 o  646.741  210.952   6.4384   4.9081   5.7962   6.1236   7.5922   8.2078  652.933  234.856  748.878  271.540 -95.94470 359.0144 
1 1 1    2   29    5 o  391.729  174.528  -1.6676   4.3293  -3.3968   6.0859   0.1040   6.1599  445.564  201.986  512.843  218.424 -67.27927 297.5018 
1 1 1    2   29    7 o  809.028  189.238   10.811   4.7085   4.5935   6.6583   17.030   6.6594  634.117  241.675  1014.52  216.244 -380.4007 324.2969 
1 1 1    2   29    9 o  651.296  205.086   6.6941   4.6680   9.7567   6.4749   3.3795   6.7359  779.398  240.909  606.125  239.664 173.2733 339.8176 
1 1 1    2   29   11 o  1338.47  121.720   28.470   5.0456   13.496   6.8499   46.230   7.4602  900.587  238.960  1704.81  141.018 -804.2253 277.4675 
1 1 1    2   29   13 o  676.477  217.854   7.1680   5.2445  -6.6685   9.4237   13.376   6.3124  532.718  245.183  895.894  225.255 -363.1761 332.9480 
1 1 1    2   29   15 o  566.389  219.607   3.3755   5.5638   10.547   10.518   0.5893   6.5561  856.733  307.840  536.558  226.789 320.1750 382.3588 
1 1 1    2   29   17 o  575.182  218.218   3.8870   5.4129  -1.5142   9.9915   6.1308   6.4398  618.973  270.859  666.636  240.706 -47.66351 362.3588 
1 1 1    2   29   19 o  495.753  191.145   2.6482   4.1969   5.7609   5.6263  -1.2565   6.3015  635.917  225.499  489.366  214.599 146.5514 311.2917 
1 1 1    2   29   21 o  502.747  209.293   1.0990   5.4546   9.6062   10.205  -2.3032   6.4538  824.525  302.199  476.534  212.643 347.9908 369.5150 
1 1 1    2   29   23 f  990.895  180.691   16.218   5.3998   10.508   8.2097   20.572   7.1687  813.522  273.107  1109.55  214.093 -296.0233 347.0203 
1 1 1    2   29   25 o  431.584  188.335  -0.7349   4.8009  -4.3536   7.1859   2.1826   6.4522  472.845  216.320  562.124  230.176 -89.27942 315.8725 
1 1 1    2   29   27 o  406.054  182.592  -2.0974   4.8580  -1.4260   6.8421  -2.7800   6.8988  503.601  222.135  483.510  217.491 20.09137 310.8795 
1 1 1    2   30    0 o  699.261  256.606   6.3752   7.3614   8.7541   9.1345   1.9678   12.434  796.349  286.799  748.080  314.043 48.26910 425.2964 
1 1 1    2   30    2 o  613.190  224.484   4.8751   5.6290   7.0561   6.4993  -1.6716   11.260  698.417  242.771  661.408  288.535 37.00909 377.0814 
1 1 1    2   30    4 o  418.063  191.646  -3.9572   5.6795  -1.3807   6.3902 -13.6459   12.392  493.731  216.319  563.903  266.501 -70.17188 343.2442 
1 1 1    2   30    6 o  315.189  155.595 -12.2499   5.5633  -4.4177   6.3211 -39.1652   11.718  440.367  201.985  390.827  197.503 49.54004 282.4978 
1 1 1    2   30    8 o  718.283  208.105   8.3978   4.9511   8.9455   6.7052   7.7411   7.3418  757.671  246.538  734.158  257.867 23.51306 356.7578 
1 1 1    2   30   10 o  355.175  166.723  -4.8626   4.7049  -9.4203   6.3376   0.7333   7.0224  377.776  181.796  558.387  235.294 -180.6116 297.3437 
1 1 1    2   30   12 o  515.308  199.081   2.7870   4.5596   5.0988   5.9372  -0.5369   7.1191  626.901  230.390  537.352  231.931 89.54871 326.9124 
1 1 1    2   30   14 o  587.491  206.572   4.8933   4.7121   8.3386   6.1967   0.1700   7.2555  729.828  236.982  555.154  236.763 174.6740 334.9887 
1 1 1    2   30   16 o  770.049  199.620   9.8291   4.8531   9.4306   6.6159   10.293   7.1408  768.951  244.376  801.338  253.803 -32.38599 352.3289 
1 1 1    2   30   18 o  457.962  208.624  -3.9270   6.5939   0.0000   0.0000  -3.9270   6.5939  ?   ?   457.962  208.624 0.000000 208.6241 
1 1 1    2   30   20 o  432.685  202.957  -6.8489   6.9504   0.0000   0.0000  -6.8489   6.9504  ?   ?   432.685  202.957 0.000000 202.9573 
1 1 1    2   30   22 o  556.299  235.877   0.6387   7.1281   0.0000   0.0000   0.6387   7.1281  ?   ?   556.299  235.877 0.000000 235.8771 
1 1 1    2   30   24 o  440.931  189.451  -0.1529   4.7080   0.3799   6.2382  -0.8580   7.1761  516.947  219.980  529.125  230.596 -12.17853 318.6944 
1 1 1    2   31    1 o  899.764  222.905   13.403   6.2477   12.625   7.2260   15.708   12.435  877.150  250.604  1004.93  336.123 -127.7792 419.2625 
1 1 1    2   31    3 o  339.120  166.265 -11.8657   6.0041  -7.3499   6.7301 -29.4751   13.290  419.394  197.656  482.935  238.789 -63.54089 309.9802 
1 1 1    2   31    5 o  1085.31  188.073   19.200   6.1598   12.431   7.7913   30.484   10.060  874.899  263.061  1360.76  245.110 -485.8610 359.5554 
1 1 1    2   31    7 o  353.190  168.129  -6.5175   5.1067  -8.7897   6.9116  -3.7859   7.5782  410.402  195.428  502.974  226.937 -92.57153 299.4873 
1 1 1    2   31    9 o  515.840  219.137   0.2243   6.1714   1.5345   6.9459  -4.6873   13.448  572.613  237.094  687.177  306.776 -114.5644 387.7174 
1 1 1    2   31   11 o  403.020  186.924  -4.7820   5.6329  -3.6635   6.2039 -10.0327   13.442  446.520  203.005  629.175  290.733 -182.6549 354.5938 
1 1 1    2   31   13 o  926.894  214.476   14.256   6.1014   19.606   8.8070   9.3192   8.4607  1081.77  262.637  795.947  276.973 285.8184 381.6967 
1 1 1    2   31   15 o  732.342  229.127   8.5572   5.8370  -1.6444   8.2241   18.912   8.2858  559.284  245.213  1062.63  252.712 -503.3422 352.1260 
1 1 1    2   31   17 o  794.232  222.346   10.417   5.7485   5.7637   8.4930   14.352   7.8093  709.243  272.317  927.753  258.952 -218.5101 375.7824 
1 1 1    2   31   19 o  494.751  203.942   1.2880   5.1074   1.9214   6.6589   0.3829   7.9599  568.242  233.390  582.987  248.296 -14.74463 340.7664 
1 1 1    2   32    0 o  799.385  281.036   9.1448   8.7214   5.5305   11.456   14.128   13.451  783.648  311.693  986.497  348.789 -202.8489 467.7679 
1 1 1    2   32    2 o  715.751  250.379   7.3227   6.9183   4.8621   7.8802   15.596   14.450  676.912  261.661  1028.89  361.743 -351.9755 446.4576 
1 1 1    2   32    4 o  459.542  208.865  -3.8888   6.5613 -11.8420   7.5343   21.075   13.348  405.969  196.059  1132.30  345.195 -726.3306 396.9869 
1 1 1    2   32    6 o  738.750  263.804   7.5645   7.7130   7.5645   7.7130   0.0000   0.0000  738.750  263.804  ?   ?  0.000000 263.8043 
1 1 1    2   32    8 o  670.011  241.668   6.0612   6.4889   16.000   10.468  -0.1404   8.2692  992.709  306.230  588.105  251.837 404.6047 396.4831 
1 1 1    2   32   10 o  998.305  215.990   16.471   6.5555   20.970   9.6681   12.641   8.9190  1119.56  277.245  891.292  283.792 228.2688 396.7395 
1 1 1    2   32   12 o  383.275  181.950  -7.1993   5.9011 -20.9980   8.3265   6.7256   8.3645  367.102  182.777  731.230  272.568 -364.1277 328.1779 
1 1 1    2   32   14 o  774.869  243.528   9.5643   6.5855   6.8901   7.2964   21.317   15.296  710.100  256.243  1144.27  372.363 -434.1681 452.0119 
1 1 1    2   33    1 o  838.350  291.980   10.205   9.4033   11.865   11.954   7.5113   15.231  918.501  328.367  902.502  359.264 15.99933 486.7195 
1 1 1    3    0    7 o  2782.99   27.904  121.304   2.4311  121.304   2.4311  121.304   2.4311  2782.99   27.904  2782.99   27.904 -0.000000 0.000000 
1 1 1    3    0    9 o  1296.32   94.553   26.753   3.7911   26.753   3.7911   26.753   3.7911  1296.32   94.553  1296.32   94.553 -0.000000 0.000000 
1 1 1    3    0   11 o  748.795   93.594   9.1916   2.1017   9.1916   2.1017   9.1916   2.1017  748.795   93.594  748.795   93.594 -0.000000 0.000000 
1 1 1    3    0   13 o  1950.33  150.356   60.849   9.0567   60.849   9.0567   60.849   9.0567  1950.33  150.356  1950.33  150.356 -0.000000 0.000000 
1 1 1    3    0   15 o  2016.04  152.569   65.078   9.5044   65.078   9.5044   65.078   9.5044  2016.04  152.569  2016.04  152.569 -0.000000 0.000000 
1 1 1    3    0   17 f  413.721  121.562   3.2970   1.3683   3.2970   1.3683   3.2970   1.3683  413.721  121.562  413.721  121.562 -0.000000 0.000000 
1 1 1    3    0   19 o  1050.94   93.399   17.746   3.0177   17.746   3.0177   17.746   3.0177  1050.94   93.399  1050.94   93.399 -0.000000 0.000000 
1 1 1    3    0   21 o  714.832  155.832   9.1049   3.0558   9.1049   3.0558   9.1049   3.0558  714.832  155.832  714.832  155.832 -0.000000 0.000000 
1 1 1    3    0   23 o  758.628   99.039   9.4961   2.2417   9.4961   2.2417   9.4961   2.2417  758.628   99.039  758.628   99.039 -0.000000 0.000000 
1 1 1    3    0   25 o  782.010  160.844   10.816   3.4792   10.816   3.4792   10.816   3.4792  782.010  160.844  782.010  160.844 -0.000000 0.000000 
1 1 1    3    0   27 o  3050.76  187.002  151.043   17.710  151.043   17.710  151.043   17.710  3050.76  187.002  3050.76  187.002 -0.000000 0.000000 
1 1 1    3    0   31 o  2291.26  164.423   85.353   11.657   85.353   11.657   85.353   11.657  2291.26  164.423  2291.26  164.423 -0.000000 0.000000 
1 1 1    3    0   39 o  4633.93  252.969  358.372   36.456  358.372   36.456  358.372   36.456  4633.93  252.969  4633.93  252.969 -0.000000 0.000000 
1 1 1    3    0   41 o  2652.08  177.285  114.524   14.571  114.524   14.571  114.524   14.571  2652.08  177.285  2652.08  177.285 -0.000000 0.000000 
1 1 1    3    0   43 o  1005.30  184.471   17.722   5.2296   17.722   5.2296   17.722   5.2296  1005.30  184.471  1005.30  184.471 -0.000000 0.000000 
1 1 1    3    0   45 o  1773.85  162.596   51.628   8.8567   51.628   8.8567   51.628   8.8567  1773.85  162.596  1773.85  162.596 -0.000000 0.000000 
1 1 1    3    0   47 o  1110.29  184.641   21.340   5.8854   21.340   5.8854   21.340   5.8854  1110.29  184.641  1110.29  184.641 -0.000000 0.000000 
1 1 1    3    0   49 o  2310.23  174.020   87.617   12.424   87.617   12.424   87.617   12.424  2310.23  174.020  2310.23  174.020 -0.000000 0.000000 
1 1 1    3    0   51 o  3289.45  205.621  181.452   20.989  181.452   20.989  181.452   20.989  3289.45  205.621  3289.45  205.621 -0.000000 0.000000 
1 1 1    3    0   53 o  1711.48  176.107   49.730   9.2088   49.730   9.2088   49.730   9.2088  1711.48  176.107  1711.48  176.107 -0.000000 0.000000 
1 1 1    3    0   55 o  2335.92  184.259   92.837   13.284   92.837   13.284   92.837   13.284  2335.92  184.259  2335.92  184.259 -0.000000 0.000000 
1 1 1    3    0   57 o  798.987  288.428   14.861   6.6149   14.861   6.6149   14.861   6.6149  798.987  288.428  798.987  288.428 -0.000000 0.000000 
1 1 1    3    1    8 o  3047.12  128.071  145.894   12.220  137.502   17.286  154.277   17.277  2946.15  188.362  3123.34  177.385 -177.1887 258.7384 
1 1 1    3    1   10 o  1531.27   79.627   36.872   3.8048   35.394   6.5949   37.609   4.6581  1492.77  142.835  1544.95   96.778 -52.17810 172.5333 
1 1 1    3    1   12 o  2321.65   87.761   84.624   6.3799   85.795   11.056   84.040   7.8118  2326.23  152.633  2311.97  107.907 14.26294 186.9242 
1 1 1    3    1   14 o  1130.34   92.038   20.221   3.2293   19.029   4.5415   21.441   4.5927  1089.09  136.149  1158.39  128.798 -69.30737 187.4183 
1 1 1    3    1   16 o  2124.02  107.095   71.363   7.0998   68.017   10.022   74.733   10.059  2061.50  156.428  2163.43  149.404 -101.9292 216.3131 
1 1 1    3    1   18 o  1769.13   80.905   49.262   4.4818   53.157   7.7706   47.321   5.4862  1823.82  137.070  1728.33  101.825 95.49011 170.7530 
1 1 1    3    1   20 o  4007.08  122.569  254.877   15.379  259.774   26.644  252.431   18.833  3984.62  214.332  3973.54  151.364 11.07959 262.3914 
1 1 1    3    1   22 o  843.205   76.109   11.294   1.9878   14.266   3.5227   9.9061   2.4078  938.993  122.748  784.808  100.275 154.1846 158.4996 
1 1 1    3    1   24 o  1178.77   77.448   22.052   2.8427   23.924   4.9728   21.143   3.4646  1212.65  133.156  1149.64   97.154 63.00281 164.8310 
1 1 1    3    1   26 o  2808.21  125.170  127.763   11.006  124.559   15.575  130.960   15.556  2715.18  184.284  2790.04  179.006 -74.86011 256.9122 
1 1 1    3    1   28 o  703.801  153.115   8.5481   3.2783   0.0000   0.0000   8.5481   3.2783  ?   ?   703.801  153.115 0.000000 153.1148 
1 1 1    3    1   30 o  749.300  154.583   9.7649   3.5065   0.0000   0.0000   9.7649   3.5065  ?   ?   749.300  154.583 0.000000 154.5831 
1 1 1    3    1   34 o  1435.03  104.640   34.185   4.6695   38.095   6.6650   30.415   6.5440  1476.91  146.036  1301.31  164.257 175.5967 219.7881 
1 1 1    3    1   36 o  806.187  118.316   11.170   2.8979   8.7137   4.2064   13.389   3.9979  665.274  191.549  859.132  154.283 -193.8578 245.9561 
1 1 1    3    1   38 o  1957.27  171.932   70.283   10.430   70.283   10.430   0.0000   0.0000  1957.27  171.932  ?   ?  0.000000 171.9317 
1 1 1    3    1   40 o  1438.69  165.445   37.770   7.3175   37.770   7.3175   0.0000   0.0000  1438.69  165.445  ?   ?  0.000000 165.4450 
1 1 1    3    1   42 o  2431.34  196.235  116.191   14.812  116.191   14.812   0.0000   0.0000  2431.34  196.235  ?   ?  0.000000 196.2351 
1 1 1    3    1   44 o  1942.98  118.718   65.666   7.1881   60.961   10.210   70.289   10.122  1743.76  190.070  1912.46  170.820 -168.7064 255.5504 
1 1 1    3    1   46 o  307.111  135.120   0.1503   2.5164  -1.1276   3.7058   1.2438   3.4278  331.220  152.912  373.808  161.141 -42.58807 222.1450 
1 1 1    3    1   48 o  1068.41  130.123   21.304   4.2633   22.018   6.1519   20.644   5.9137  974.009  208.032  945.776  205.557 28.23297 292.4569 
1 1 1    3    1   50 o  1822.56  131.887   66.640   7.4758   66.731   10.698   66.554   10.451  1526.74  230.997  1552.20  221.294 -25.46277 319.8918 
1 1 1    3    1   52 o  1215.19  148.078   35.388   5.5180   32.533   7.8863   38.126   7.7235  767.408  267.385  954.500  253.966 -187.0926 368.7730 
1 1 1    3    1   56 o  ?   ?   -1.7664   5.4923  -1.7664   5.4923   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3    1   58 o  454.155  230.419  213.577   17.113  214.899   24.264  212.269   24.139  ?   ?   ?   ?  0.000000      ? 
1 1 1    3    1   60 o  389.683  193.372   80.378   9.0117   73.318   12.896   87.115   12.598  ?   ?   ?   ?  0.000000      ? 
1 1 1    3    2    7 o  6095.81  209.632  587.177   40.013  589.245   56.592  585.110   56.583  6078.27  297.345  6056.52  298.362 21.74902 421.2293 
1 1 1    3    2    9 o  1210.28   73.753   23.049   2.7817   24.469   4.8279   22.343   3.4034  1241.40  125.945  1189.83   92.067 51.57007 156.0078 
1 1 1    3    2   11 o  1936.65   76.692   58.831   4.6507   61.770   8.0666   57.368   5.6919  1976.60  131.076  1911.44   95.100 65.15881 161.9415 
1 1 1    3    2   13 o  1051.85   91.434   17.517   2.9815   16.019   4.1900   19.053   4.2435  998.106  137.735  1092.10  126.430 -93.99036 186.9640 
1 1 1    3    2   15 o  1042.29   90.399   17.220   2.9211   14.466   4.0904   20.088   4.1730  945.162  142.650  1121.39  120.747 -176.2238 186.8931 
1 1 1    3    2   17 o  4129.45  226.384  278.218   29.161   0.0000   0.0000  278.218   29.161  ?   ?   4129.45  226.384 0.000000 226.3843 
1 1 1    3    2   19 o  1591.84   99.064   40.157   4.9133   44.255   6.9681   36.105   6.9289  1663.07  134.973  1497.18  149.811 165.8987 201.6462 
1 1 1    3    2   21 o  961.643   96.393   14.758   2.8635   12.049   4.0663   17.422   4.0330  853.795  157.917  1039.12  126.563 -185.3231 202.3756 
1 1 1    3    2   25 o  1641.15  105.549   43.238   5.3953   0.0000   0.0000   43.238   5.3953  ?   ?   1641.15  105.549 0.000000 105.5494 
1 1 1    3    2   27 o  846.429  142.035   12.067   3.6311   0.0000   0.0000   12.067   3.6311  ?   ?   846.429  142.035 0.000000 142.0349 
1 1 1    3    2   29 o  845.492  105.965   11.735   2.7437   10.437   4.0943   12.794   3.6965  768.552  174.163  869.013  140.654 -100.4611 223.8669 
1 1 1    3    2   31 o  741.469  109.319   9.1420   2.4619   11.194   3.7262   7.5525   3.2798  801.324  154.101  652.613  161.398 148.7109 223.1516 
1 1 1    3    2   33 o  2351.39  118.784   92.264   8.7175   92.984   12.423   91.566   12.236  2279.85  175.360  2264.68  173.883 15.16797 246.9541 
1 1 1    3    2   35 f  1033.80  166.840   19.555   5.2169   19.555   5.2169   0.0000   0.0000  1033.80  166.840  ?   ?  0.000000 166.8401 
1 1 1    3    2   37 o  608.131  133.703   6.5759   2.4766   4.7836   3.7546   7.9564   3.2952  514.732  184.031  654.286  161.756 -139.5538 245.0155 
1 1 1    3    2   39 o  2470.43  126.763  104.274   9.7728   92.575   13.902  115.703   13.741  2185.30  205.586  2507.87  176.095 -322.5706 270.6941 
1 1 1    3    2   41 o  745.400  133.123   9.8276   2.9931   7.2439   4.4542   11.955   4.0416  602.218  201.172  799.268  166.877 -197.0508 261.3773 
1 1 1    3    2   43 o  941.186  193.867   17.835   5.5232   17.835   5.5232   0.0000   0.0000  941.186  193.867  ?   ?  0.000000 193.8674 
1 1 1    3    2   45 o  1999.32  190.830   81.308   11.802   81.308   11.802   0.0000   0.0000  1999.32  190.830  ?   ?  0.000000 190.8296 
1 1 1    3    2   47 o  1230.86  199.462   32.740   7.4245   32.740   7.4245   0.0000   0.0000  1230.86  199.462  ?   ?  0.000000 199.4622 
1 1 1    3    2   49 o  1279.25  129.448   31.315   5.1138   21.569   7.4092   40.181   7.0670  814.319  258.594  1369.54  168.339 -555.2175 308.5593 
1 1 1    3    2   51 o  1450.78  138.586   45.700   6.2190   37.013   9.0124   53.596   8.5927  859.033  286.130  1364.96  207.587 -505.9234 353.5006 
1 1 1    3    2   53 o  316.254  155.745   2.1782   5.4606   2.1782   5.4606   0.0000   0.0000  316.254  155.745  ?   ?  0.000000 155.7455 
1 1 1    3    2   55 o  489.206  221.533   29.287   7.2982   0.0000   0.0000   29.287   7.2982  ?   ?   489.206  221.533 0.000000 221.5326 
1 1 1    3    2   57 o  322.740  154.971   10.352   4.5455   4.1787   7.0708   14.701   5.9342  ?   ?   316.373  156.981 0.000000 156.9808 
1 1 1    3    2   59 o  277.807  138.725   13.211   4.9469   10.573   7.5488   15.196   6.5491  ?   ?   ?   ?  0.000000      ? 
1 1 1    3    3    6 o  1998.67  103.082   62.846   6.4292   72.166   9.0992   53.555   9.0853  2138.49  136.601  1837.83  159.457 300.6582 209.9678 
1 1 1    3    3    8 o  5781.63  163.226  526.690   29.550  514.106   51.186  532.981   36.190  5666.76  289.432  5807.09  199.028 -140.3320 351.2588 
1 1 1    3    3   10 o  2719.78   89.739  116.092   7.6425  129.020   13.251  109.648   9.3554  2857.45  148.607  2641.34  113.115 216.1018 186.7595 
1 1 1    3    3   12 o  1826.17   21.965   52.222   1.2560  150.526   2.1311  -0.1003   1.5548  3100.41   21.952  254.387  109.073 2846.027 111.2604 
1 1 1    3    3   14 o  3421.38  136.884  185.202   14.665  183.061   20.728  187.347   20.750  3377.43  196.851  3417.77  194.697 -40.33691 276.8706 
1 1 1    3    3   16 o  585.280  101.954   5.5566   1.8006   6.6732   2.5124   4.3775   2.5818  637.719  130.220  519.050  150.247 118.6696 198.8248 
1 1 1    3    3   18 o  2155.97  156.842   74.591   10.516   0.0000   0.0000   74.591   10.516  ?   ?   2155.97  156.842 0.000000 156.8417 
1 1 1    3    3   20 o  2053.76  154.669   67.875   9.8735   0.0000   0.0000   67.875   9.8735  ?   ?   2053.76  154.669 0.000000 154.6695 
1 1 1    3    3   24 o  1238.37  142.714   25.115   5.4327   25.115   5.4327   0.0000   0.0000  1238.37  142.714  ?   ?  0.000000 142.7138 
1 1 1    3    3   26 o  1649.96  103.329   43.826   5.3115   50.594   7.5182   37.082   7.5051  1754.95  137.925  1486.39  163.983 268.5625 214.2744 
1 1 1    3    3   28 o  461.889  121.148   3.6048   1.7739   5.5326   2.5847   1.8884   2.4389  567.147  144.989  385.667  146.440 181.4803 206.0734 
1 1 1    3    3   30 o  1503.53  155.409   38.502   7.2109   38.502   7.2109   0.0000   0.0000  1503.53  155.409  ?   ?  0.000000 155.4090 
1 1 1    3    3   32 o  1271.22  156.808   28.079   6.1095   28.079   6.1095   0.0000   0.0000  1271.22  156.808  ?   ?  0.000000 156.8083 
1 1 1    3    3   34 o  1195.61  164.481   25.718   5.9947   25.718   5.9947   0.0000   0.0000  1195.61  164.481  ?   ?  0.000000 164.4811 
1 1 1    3    3   36 o  1568.36  165.654   44.665   8.0120   44.665   8.0120   0.0000   0.0000  1568.36  165.654  ?   ?  0.000000 165.6540 
1 1 1    3    3   38 o  1150.72  173.828   24.371   6.0681   24.371   6.0681   0.0000   0.0000  1150.72  173.828  ?   ?  0.000000 173.8281 
1 1 1    3    3   40 o  1095.39  115.626   20.366   3.9060   17.069   5.9125   22.919   5.2030  924.856  209.074  1134.02  150.225 -209.1587 257.4482 
1 1 1    3    3   42 o  2117.96  127.451   77.810   8.4130   54.873   12.076   99.443   11.727  1574.12  253.617  2327.27  161.938 -753.1552 300.9079 
1 1 1    3    3   44 o  1095.81  119.490   20.982   4.0335   19.683   6.0607   22.014   5.4042  968.955  206.095  1074.44  165.980 -105.4877 264.6215 
1 1 1    3    3   46 o  1482.86  119.982   38.842   5.5233   30.846   8.0754   45.870   7.5711  1162.07  230.069  1549.80  158.235 -387.7283 279.2312 
1 1 1    3    3   48 o  1702.88  205.270   66.157   10.725   66.157   10.725   0.0000   0.0000  1702.88  205.270  ?   ?  0.000000 205.2698 
1 1 1    3    3   50 o  946.347  251.801   29.645   7.5923   29.645   7.5923   0.0000   0.0000  946.347  251.801  ?   ?  0.000000 251.8007 
1 1 1    3    3   52 o  1189.29  360.988  106.566   14.621  106.566   14.621   0.0000   0.0000  1189.29  360.988  ?   ?  0.000000 360.9876 
1 1 1    3    3   54 o  1421.30  170.450   62.105   7.4344   61.177   10.928   62.905   10.143  633.322  279.972  792.450  299.186 -159.1276 409.7521 
1 1 1    3    3   56 o  484.402  238.144   87.725   12.586   0.0000   0.0000   87.725   12.586  ?   ?   484.402  238.144 0.000000 238.1441 
1 1 1    3    3   58 o  1476.54  157.671   82.966   7.1771   78.594   13.678   84.628   8.4310  ?   ?   1045.06  258.963 0.000000 258.9629 
1 1 1    3    3   60 o  338.982  151.819   12.243   3.3221   18.593   8.9342   11.224   3.5786  ?   ?   294.079  140.198 0.000000 140.1984 
1 1 1    3    4    1 o  790.654   52.452   9.8353   1.2912   20.351   1.8760   0.3703   1.7799  1139.81   52.564  291.768  120.346 848.0416 131.3241 
1 1 1    3    4    3 o  2030.24   33.999   64.547   2.1614  138.990   3.1731   0.1145   2.9521  2979.20   34.015  359.697  152.116 2619.505 155.8730 
1 1 1    3    4    5 o  2896.40   49.490  131.410   4.4884  259.247   6.4513   11.473   6.2488  4068.14   50.645  838.405  230.751 3229.733 236.2433 
1 1 1    3    4    7 o  3832.65  146.693  231.170   17.605  227.769   24.896  234.572   24.897  3788.31  210.710  3845.41  207.541 -57.09790 295.7565 
1 1 1    3    4    9 o  2981.26  125.797  139.801   11.743  143.527   16.606  136.073   16.609  3008.82  177.038  2928.33  182.037 80.48950 253.9291 
1 1 1    3    4   11 o  282.036   95.604   1.1552   1.0061   2.4089   1.3453  -0.4361   1.5157  385.841  107.401  238.087  104.806 147.7536 150.0641 
1 1 1    3    4   13 o  1042.29  136.603   17.461   4.3509   0.0000   0.0000   17.461   4.3509  ?   ?   1042.29  136.603 0.000000 136.6027 
1 1 1    3    4   15 o  3410.89  197.541  187.525   21.008   0.0000   0.0000  187.525   21.008  ?   ?   3410.89  197.541 0.000000 197.5410 
1 1 1    3    4   17 o  6094.65  317.059  627.736   60.298   0.0000   0.0000  627.736   60.298  ?   ?   6094.65  317.059 0.000000 317.0592 
1 1 1    3    4   19 o  854.305   96.632   11.663   2.5395   13.740   3.6592   9.7335   3.5272  921.252  130.499  767.954  152.063 153.2980 200.3823 
1 1 1    3    4   21 o  2218.90  111.650   78.306   7.7326   83.009   10.937   73.605   10.934  2268.63  154.886  2131.38  165.124 137.2554 226.3970 
1 1 1    3    4   23 o  2766.84  123.391  122.550   10.690  130.183   15.119  114.920   15.117  2817.98  172.175  2638.56  184.125 179.4146 252.0838 
1 1 1    3    4   25 o  2285.16  166.033   86.750   11.799   86.750   11.799   0.0000   0.0000  2285.16  166.033  ?   ?  0.000000 166.0335 
1 1 1    3    4   27 o  2401.82  116.813   93.547   8.7852  102.550   12.437   84.581   12.412  2471.92  161.565  2226.71  179.537 245.2144 241.5298 
1 1 1    3    4   29 o  1882.44  160.528   60.123   9.3718   60.123   9.3718   0.0000   0.0000  1882.44  160.528  ?   ?  0.000000 160.5284 
1 1 1    3    4   31 o  2186.60  171.467   83.155   11.646   83.155   11.646   0.0000   0.0000  2186.60  171.467  ?   ?  0.000000 171.4675 
1 1 1    3    4   33 o  774.840  183.879   11.193   4.3943   11.193   4.3943   0.0000   0.0000  774.840  183.879  ?   ?  0.000000 183.8791 
1 1 1    3    4   35 o  1711.38  167.318   52.955   8.8514   52.955   8.8514   0.0000   0.0000  1711.38  167.318  ?   ?  0.000000 167.3178 
1 1 1    3    4   37 o  806.685  193.295   12.564   4.8186   12.564   4.8186   0.0000   0.0000  806.685  193.295  ?   ?  0.000000 193.2950 
1 1 1    3    4   39 o  1449.84  169.009   38.142   7.5287   38.142   7.5287   0.0000   0.0000  1449.84  169.009  ?   ?  0.000000 169.0086 
1 1 1    3    4   41 o  627.392  202.563   7.8983   4.5319   7.8983   4.5319   0.0000   0.0000  627.392  202.563  ?   ?  0.000000 202.5628 
1 1 1    3    4   43 o  1034.80  118.837   18.562   3.7807   14.442   6.1470   21.068   4.7949  802.109  231.732  1078.22  145.757 -276.1131 273.7607 
1 1 1    3    4   45 o  1308.65  114.232   29.725   4.6340   28.766   7.2158   30.399   6.0453  1173.88  203.698  1274.07  154.707 -100.1969 255.7871 
1 1 1    3    4   47 o  544.055  145.346   5.7566   2.5231   4.0454   5.0190   6.3353   2.9187  471.118  198.741  560.861  158.935 -89.74243 254.4766 
1 1 1    3    4   49 o  1367.49  125.102   35.522   5.2975   31.781   8.3331   38.060   6.8627  1020.59  260.022  1326.40  169.081 -305.8126 310.1605 
1 1 1    3    4   51 o  1192.40  283.995   59.058   10.452   59.058   10.452   0.0000   0.0000  1192.40  283.995  ?   ?  0.000000 283.9946 
1 1 1    3    4   53 o  706.641  178.617   15.416   3.9542   11.494   7.8602   16.745   4.5753  376.521  185.701  666.320  201.866 -289.7993 274.2894 
1 1 1    3    4   55 o  1245.59  167.327   49.980   6.3611   58.273   10.459   45.111   8.0136  541.484  252.343  692.529  264.847 -151.0446 365.8152 
1 1 1    3    4   57 o  445.453  196.762   21.871   5.3868   0.0000   0.0000   21.871   5.3868  ?   ?   445.453  196.762 0.000000 196.7621 
1 1 1    3    4   59 o  1026.75  202.731   59.512   6.2865   0.0000   0.0000   59.512   6.2865  ?   ?   1026.75  202.731 0.000000 202.7311 
1 1 1    3    5    0 o  3862.42  144.265  234.529   17.448  273.788   24.682  195.318   24.667  4167.02  189.165  3507.30  225.811 659.7266 294.5741 
1 1 1    3    5    2 o  3483.47  137.637  190.723   15.013  195.059   21.233  186.388   21.230  3510.91  193.890  3430.88  198.469 80.03394 277.4585 
1 1 1    3    5    6 o  4247.04  225.710  286.806   29.908   0.0000   0.0000  286.806   29.908  ?   ?   4247.04  225.710 0.000000 225.7101 
1 1 1    3    5    8 o  1296.73  136.453   26.766   5.4574   0.0000   0.0000   26.766   5.4574  ?   ?   1296.73  136.453 0.000000 136.4529 
1 1 1    3    5   10 o  4400.97  233.553  310.630   32.070   0.0000   0.0000  310.630   32.070  ?   ?   4400.97  233.553 0.000000 233.5530 
1 1 1    3    5   12 o  2184.18  156.747   76.012   10.649   0.0000   0.0000   76.012   10.649  ?   ?   2184.18  156.747 0.000000 156.7465 
1 1 1    3    5   14 o  1574.31  100.221   39.210   4.9148   39.080   6.9453   39.341   6.9557  1563.22  143.492  1568.56  143.199 -5.334473 202.7217 
1 1 1    3    5   16 o  3277.26  134.271  170.368   13.779  175.591   19.483  165.142   19.489  3301.04  189.282  3197.94  195.568 103.0991 272.1661 
1 1 1    3    5   18 f  2504.47  167.679  100.888   13.074   0.0000   0.0000  100.888   13.074  ?   ?   2504.47  167.679 0.000000 167.6794 
1 1 1    3    5   20 f  2795.67  123.285  124.215   10.792  121.512   15.256  126.923   15.269  2737.36  178.972  2799.95  175.041 -62.59253 250.3406 
1 1 1    3    5   22 o  2541.71  117.899  103.016   9.3832  113.301   13.282   92.767   13.258  2640.27  161.427  2377.87  179.385 262.4016 241.3248 
1 1 1    3    5   24 o  2547.27  173.737  107.669   13.775  107.669   13.775   0.0000   0.0000  2547.27  173.737  ?   ?  0.000000 173.7368 
1 1 1    3    5   26 o  968.758  154.221   15.842   4.5213   15.842   4.5213   0.0000   0.0000  968.758  154.221  ?   ?  0.000000 154.2211 
1 1 1    3    5   28 o  711.411  165.988   8.8311   3.6300   8.8311   3.6300   0.0000   0.0000  711.411  165.988  ?   ?  0.000000 165.9885 
1 1 1    3    5   30 o  1115.48  106.711   20.371   3.6818   24.105   5.3985   17.123   5.0342  1191.70  147.849  990.644  168.314 201.0604 224.0288 
1 1 1    3    5   32 o  1822.17  165.556   58.127   9.3430   58.127   9.3430   0.0000   0.0000  1822.17  165.556  ?   ?  0.000000 165.5559 
1 1 1    3    5   34 o  1243.58  165.871   27.781   6.2979   27.781   6.2979   0.0000   0.0000  1243.58  165.871  ?   ?  0.000000 165.8713 
1 1 1    3    5   36 o  191.481   71.058   0.4637   0.5672   9.7272   3.3560   0.1913   0.5755  736.604  150.585  169.489   68.996 567.1151 165.6392 
1 1 1    3    5   38 o  325.170   82.158   1.7756   0.8368   33.686   3.8876   0.2252   0.8569  1437.80   86.757  202.031   83.434 1235.768 120.3664 
1 1 1    3    5   40 o  643.296   76.412   6.7664   1.5091   43.609   4.2983   1.5866   1.6117  1636.12   84.187  329.381  120.189 1306.738 146.7407 
1 1 1    3    5   42 o  332.664  104.990   1.8539   1.2228   14.757   4.2596   0.6952   1.2765  895.836  157.609  261.230  104.001 634.6061 188.8306 
1 1 1    3    5   44 o  137.804   64.952  -0.7628   0.7271   12.218   4.1079  -1.1826   0.7388  794.725  170.209  125.520   60.812 669.2045 180.7459 
1 1 1    3    5   46 o  1798.80  124.140   57.348   6.9494   49.070   10.408   64.009   9.3353  1468.52  234.205  1821.47  165.484 -352.9546 286.7701 
1 1 1    3    5   48 o  1878.40  117.979   63.906   6.9040   73.003   10.780   57.580   8.9895  1819.49  192.120  1652.86  176.418 166.6266 260.8321 
1 1 1    3    5   50 o  821.304  279.123   29.687   8.5764   29.687   8.5764   0.0000   0.0000  821.304  279.123  ?   ?  0.000000 279.1226 
1 1 1    3    5   52 o  544.562  175.160   9.0814   3.3911   0.0000   0.0000   9.0814   3.3911  ?   ?   544.562  175.160 0.000000 175.1597 
1 1 1    3    5   54 o  700.776  215.283   22.114   5.1797   0.0000   0.0000   22.114   5.1797  ?   ?   700.776  215.283 0.000000 215.2825 
1 1 1    3    5   56 o  595.634  229.684   29.540   6.0603   0.0000   0.0000   29.540   6.0603  ?   ?   595.634  229.684 0.000000 229.6837 
1 1 1    3    5   58 o  441.090  193.799   23.157   5.1608   2.9380   10.209   30.098   5.9814  ?   ?   452.056  202.999 0.000000 202.9991 
1 1 1    3    6    1 o  3601.93  140.767  204.044   15.876  207.225   22.454  200.864   22.452  3616.41  199.054  3559.62  202.266 56.79248 283.7856 
1 1 1    3    6    3 o  3441.07  195.576  187.718   20.986   0.0000   0.0000  187.718   20.986  ?   ?   3441.07  195.576 0.000000 195.5755 
1 1 1    3    6    5 f  4460.27  234.427  317.058   32.626   0.0000   0.0000  317.058   32.626  ?   ?   4460.27  234.427 0.000000 234.4271 
1 1 1    3    6    7 o  3163.64  186.549  159.051   18.398   0.0000   0.0000  159.051   18.398  ?   ?   3163.64  186.549 0.000000 186.5489 
1 1 1    3    6    9 o  2814.20  120.142  124.742   10.587  110.169   14.950  139.402   14.994  2628.29  182.794  2963.39  162.208 -335.0981 244.3869 
1 1 1    3    6   11 o  2696.04  119.667  114.644   10.102  111.518   14.271  117.785   14.302  2642.94  173.409  2717.81  168.899 -74.86938 242.0688 
1 1 1    3    6   13 f  2018.44  107.115   64.419   6.7457   63.351   9.5334   65.489   9.5464  1991.16  154.106  2025.30  151.633 -34.14453 216.1973 
1 1 1    3    6   15 f  1061.36   97.955   17.902   3.2187   18.018   4.5543   17.786   4.5494  1056.51  141.202  1049.39  142.110 7.126709 200.3324 
1 1 1    3    6   17 o  1125.08  140.699   20.421   4.8483   0.0000   0.0000   20.421   4.8483  ?   ?   1125.08  140.699 0.000000 140.6986 
1 1 1    3    6   21 o  3357.98  199.911  185.721   20.925  185.721   20.925   0.0000   0.0000  3357.98  199.911  ?   ?  0.000000 199.9110 
1 1 1    3    6   23 o  4226.88  242.397  308.233   31.948  308.233   31.948   0.0000   0.0000  4226.88  242.397  ?   ?  0.000000 242.3969 
1 1 1    3    6   25 o  889.700  105.957   12.864   2.8938   13.237   4.1435   12.508   4.0432  885.324  155.121  859.737  155.933 25.58661 219.9487 
1 1 1    3    6   27 o  542.652  167.066   4.9962   3.1174   4.9962   3.1174   0.0000   0.0000  542.652  167.066  ?   ?  0.000000 167.0662 
1 1 1    3    6   29 o  332.796  126.973   1.3390   1.8391   0.4573   2.7516   2.0508   2.4726  347.686  146.939  393.312  147.882 -45.62506 208.4711 
1 1 1    3    6   31 o  627.141  136.865   6.7997   2.6122   3.7734   4.0089   9.0327   3.4436  500.104  188.247  715.710  157.894 -215.6058 245.6983 
1 1 1    3    6   33 o  1147.19  169.892   23.600   5.9183   23.600   5.9183   0.0000   0.0000  1147.19  169.892  ?   ?  0.000000 169.8921 
1 1 1    3    6   35 f  2723.60  201.140  139.317   17.032  139.317   17.032   0.0000   0.0000  2723.60  201.140  ?   ?  0.000000 201.1399 
1 1 1    3    6   37 o  810.111  199.945   12.588   5.0411   12.588   5.0411   0.0000   0.0000  810.111  199.945  ?   ?  0.000000 199.9451 
1 1 1    3    6   39 o  1950.00  176.950   69.017   10.687   69.017   10.687   0.0000   0.0000  1950.00  176.950  ?   ?  0.000000 176.9496 
1 1 1    3    6   41 o  1247.08  188.936   29.540   7.1467   29.540   7.1467   0.0000   0.0000  1247.08  188.936  ?   ?  0.000000 188.9365 
1 1 1    3    6   43 o  638.361   55.506   6.5551   1.0984  178.608   5.9884   0.5645   1.1174  3341.77   57.229  242.563   97.061 3099.204 112.6763 
1 1 1    3    6   45 o  372.197   83.525   2.3632   0.9495   94.454   5.9668  -0.0295   0.9618  2400.23   79.391  196.661   85.064 2203.569 116.3565 
1 1 1    3    6   47 o  273.887  102.566   1.0788   1.1871   0.0000   0.0000   1.0788   1.1871  ?   ?   273.887  102.566 0.000000 102.5659 
1 1 1    3    6   51 o  1000.11  180.344   26.102   5.4399   0.0000   0.0000   26.102   5.4399  ?   ?   1000.11  180.344 0.000000 180.3436 
1 1 1    3    6   53 f  928.582  148.530   21.898   4.1731   31.059   8.8317   19.265   4.7351  540.016  244.196  741.127  199.588 -201.1113 315.3839 
1 1 1    3    6   55 o  781.317  175.011   20.615   4.1753   27.180   8.9887   18.808   4.7148  386.538  192.035  603.893  206.947 -217.3556 282.3192 
1 1 1    3    6   57 o  895.373  223.374   44.067   6.2420   44.774   11.183   43.747   7.5228  ?   ?   546.246  237.088 0.000000 237.0880 
1 1 1    3    6   59 o  619.188  227.324   39.854   5.7782   51.861   11.087   35.376   6.7704  ?   ?   366.822  179.147 0.000000 179.1470 
1 1 1    3    7    2 o  2665.83  169.741  112.650   14.095   0.0000   0.0000  112.650   14.095  ?   ?   2665.83  169.741 0.000000 169.7413 
1 1 1    3    7    4 o  2079.06  152.920   68.544   9.8853   0.0000   0.0000   68.544   9.8853  ?   ?   2079.06  152.920 0.000000 152.9201 
1 1 1    3    7    6 o  3000.75  124.684  141.800   11.715  127.538   16.547  156.135   16.589  2829.49  187.832  3136.64  169.535 -307.1580 253.0275 
1 1 1    3    7    8 o  1378.40   96.859   30.016   4.1540   28.971   5.8355   31.090   5.9146  1347.31  140.384  1396.82  136.992 -49.50903 196.1489 
1 1 1    3    7   10 o  2696.80  118.342  114.710   9.9932  101.811   14.108  127.701   14.158  2522.47  179.788  2832.38  160.290 -309.9070 240.8665 
1 1 1    3    7   12 o  642.611   76.567   6.5795   1.5103   5.2719   1.8054   9.6276   2.7565  569.493  105.118  772.324  117.707 -202.8315 157.8123 
1 1 1    3    7   16 o  3253.13  134.812  167.929   13.732  167.929   13.732   0.0000   0.0000  3253.13  134.812  ?   ?  0.000000 134.8124 
1 1 1    3    7   18 o  934.780  149.713   14.279   4.2342   14.279   4.2342   0.0000   0.0000  934.780  149.713  ?   ?  0.000000 149.7129 
1 1 1    3    7   20 o  2626.81  173.776  112.227   14.213   0.0000   0.0000  112.227   14.213  ?   ?   2626.81  173.776 0.000000 173.7757 
1 1 1    3    7   22 o  697.470  113.194   7.9559   2.3873   5.7089   3.4501   10.020   3.3069  585.043  174.860  776.916  141.132 -191.8728 224.7088 
1 1 1    3    7   24 o  1112.89  102.746   19.963   3.5400   22.362   5.0490   17.644   4.9647  1164.21  141.404  1024.98  159.907 139.2228 213.4602 
1 1 1    3    7   26 o  1122.51  103.107   20.384   3.5836   25.310   5.1113   15.621   5.0256  1238.98  133.879  952.604  174.930 286.3747 220.2820 
1 1 1    3    7   28 o  742.922  118.236   9.1666   2.6583   13.729   3.8439   4.9842   3.6803  903.351  140.455  546.864  182.861 356.4865 230.5767 
1 1 1    3    7   30 o  1594.62  106.617   41.480   5.2928   49.794   7.5476   33.436   7.4244  1722.45  141.181  1384.77  175.141 337.6866 224.9586 
1 1 1    3    7   32 f  2783.32  127.169  129.427   11.083  156.272   15.751  103.101   15.598  2983.73  169.287  2347.20  214.601 636.5305 273.3347 
1 1 1    3    7   34 o  1490.62  168.134   39.548   7.7105   39.548   7.7105   0.0000   0.0000  1490.62  168.134  ?   ?  0.000000 168.1342 
1 1 1    3    7   36 o  710.950  201.382   9.6583   4.6869   9.6583   4.6869   0.0000   0.0000  710.950  201.382  ?   ?  0.000000 201.3819 
1 1 1    3    7   38 o  2615.43  196.619  126.158   15.984  126.158   15.984   0.0000   0.0000  2615.43  196.619  ?   ?  0.000000 196.6190 
1 1 1    3    7   40 o  1464.90  192.342   40.245   8.6094   40.245   8.6094   0.0000   0.0000  1464.90  192.342  ?   ?  0.000000 192.3415 
1 1 1    3    7   48 o  1702.90  240.025   75.162   12.444   75.162   12.444   0.0000   0.0000  1702.90  240.025  ?   ?  0.000000 240.0247 
1 1 1    3    7   50 o  445.991  208.956   7.6222   7.3310   7.6222   7.3310   0.0000   0.0000  445.991  208.956  ?   ?  0.000000 208.9563 
1 1 1    3    7   52 o  226.183   88.871   0.7877   0.9208   12.052   7.6321   0.6213   0.9276  420.282  201.542  216.046   87.730 204.2363 219.8082 
1 1 1    3    7   54 f  144.669   65.314  -0.1386   0.6288   34.512   7.7492  -0.3683   0.6309  633.854  254.906  134.032   62.300 499.8222 262.4086 
1 1 1    3    7   56 o  214.134   93.199   0.7085   1.1689   0.0000   0.0000   0.7085   1.1689  ?   ?   214.134   93.199 0.000000 93.19887 
1 1 1    3    7   58 o  ?   ?   -2.4992   0.3584   0.0000   0.0000  -2.4992   0.3584  ?   ?   ?   ?  0.000000      ? 
1 1 1    3    8    1 o  831.849   92.764   11.001   2.3751   11.457   3.3616   10.547   3.3562  842.918  131.667  806.931  137.776 35.98737 190.5743 
1 1 1    3    8    3 o  3288.41  133.458  170.467   13.742  168.760   19.426  172.178   19.442  3254.74  191.453  3288.18  189.633 -33.43481 269.4721 
1 1 1    3    8    5 o  2224.88  106.900   77.878   7.4474   66.588   10.493   89.337   10.571  2043.95  165.372  2374.24  142.863 -330.2870 218.5353 
1 1 1    3    8    7 o  506.393  135.321   4.1905   2.1867   4.1905   2.1867   0.0000   0.0000  506.393  135.321  ?   ?  0.000000 135.3211 
1 1 1    3    8    9 o  4770.45  173.974  362.148   25.987  362.148   25.987   0.0000   0.0000  4770.45  173.974  ?   ?  0.000000 173.9743 
1 1 1    3    8   11 o  1584.82   98.577   39.699   4.8676   39.699   4.8676   0.0000   0.0000  1584.82   98.577  ?   ?  0.000000 98.57710 
1 1 1    3    8   13 o  2975.46  128.512  140.070   11.973  140.070   11.973   0.0000   0.0000  2975.46  128.512  ?   ?  0.000000 128.5118 
1 1 1    3    8   15 o  758.076   85.183   9.1563   1.9870   10.161   2.3906   6.9103   3.5737  797.034   97.842  646.300  173.115 150.7337 198.8513 
1 1 1    3    8   17 o  1314.25   99.443   27.423   4.0620   28.001   5.7735   26.857   5.7161  1318.75  142.059  1290.77  143.875 27.97839 202.1902 
1 1 1    3    8   19 o  1837.10   88.285   53.297   5.0785   58.113   6.2076   43.548   8.8315  1912.40  104.055  1631.59  175.631 280.8038 204.1417 
1 1 1    3    8   21 o  637.607  160.328   6.8571   3.1977   0.0000   0.0000   6.8571   3.1977  ?   ?   637.607  160.328 0.000000 160.3283 
1 1 1    3    8   23 o  1210.25  150.072   24.222   5.5651   24.222   5.5651   0.0000   0.0000  1210.25  150.072  ?   ?  0.000000 150.0717 
1 1 1    3    8   25 o  2181.38  113.880   76.820   7.7515   82.085   10.975   71.580   10.950  2224.10  158.631  2067.08  170.697 157.0227 233.0264 
1 1 1    3    8   27 o  1296.70  105.086   27.220   4.2301   29.450   6.0316   25.062   5.9341  1328.69  147.461  1218.46  159.353 110.2384 217.1131 
1 1 1    3    8   29 o  566.077  136.221   5.4952   2.3853   1.4311   3.4472   9.2288   3.3040  410.854  168.240  732.136  149.187 -321.2820 224.8587 
1 1 1    3    8   31 o  1297.23  107.827   27.665   4.3402   34.786   6.2010   20.826   6.0768  1433.22  139.962  1074.34  187.461 358.8792 233.9463 
1 1 1    3    8   33 o  903.299  122.246   13.769   3.3688   17.506   5.0091   10.684   4.5521  991.718  167.257  755.985  191.953 235.7333 254.5993 
1 1 1    3    8   35 o  1163.66  195.207   24.872   6.8609   24.872   6.8609   0.0000   0.0000  1163.66  195.207  ?   ?  0.000000 195.2066 
1 1 1    3    8   37 o  2274.36  187.925   93.176   13.263   93.176   13.263   0.0000   0.0000  2274.36  187.925  ?   ?  0.000000 187.9249 
1 1 1    3    8   43 o  2957.51  234.655  183.135   21.552  183.135   21.552   0.0000   0.0000  2957.51  234.655  ?   ?  0.000000 234.6547 
1 1 1    3    8   45 f  1783.72  205.903   65.098   11.289   65.098   11.289   0.0000   0.0000  1783.72  205.903  ?   ?  0.000000 205.9034 
1 1 1    3    8   47 o  731.422  264.957   16.386   7.8120   16.386   7.8120   0.0000   0.0000  731.422  264.957  ?   ?  0.000000 264.9572 
1 1 1    3    8   49 o  1297.60  290.243   58.876   11.498   58.876   11.498   0.0000   0.0000  1297.60  290.243  ?   ?  0.000000 290.2428 
1 1 1    3    8   51 o  439.105  212.122   12.302   8.8346   12.302   8.8346   0.0000   0.0000  439.105  212.122  ?   ?  0.000000 212.1225 
1 1 1    3    8   53 o  397.556  196.651   16.355   9.0462   16.355   9.0462   0.0000   0.0000  397.556  196.651  ?   ?  0.000000 196.6510 
1 1 1    3    8   55 o  ?   ?    5.1184   8.8686   5.1184   8.8686   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3    8   57 o  ?   ?    22.589   10.724   22.589   10.724   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3    9    0 o  4146.58  223.899  275.818   28.963   0.0000   0.0000  275.818   28.963  ?   ?   4146.58  223.899 0.000000 223.8991 
1 1 1    3    9    2 o  5590.59  196.145  497.795   34.336  478.115   48.545  517.498   48.572  5419.88  287.072  5654.37  274.339 -234.4858 397.0798 
1 1 1    3    9    4 o  5109.92  264.308  423.427   42.146  423.427   42.146   0.0000   0.0000  5109.92  264.308  ?   ?  0.000000 264.3080 
1 1 1    3    9    6 o  341.043  121.018   1.5832   1.6207   1.5832   1.6207   0.0000   0.0000  341.043  121.018  ?   ?  0.000000 121.0181 
1 1 1    3    9    8 o  2038.57  153.567   66.250   9.7306   66.250   9.7306   0.0000   0.0000  2038.57  153.567  ?   ?  0.000000 153.5672 
1 1 1    3    9   10 o  3093.00  106.153  150.739   10.281  149.911   12.576  152.409   17.850  3079.49  130.422  3084.64  185.674 -5.152100 226.9027 
1 1 1    3    9   12 o  2273.79   92.332   81.373   6.5739   84.739   8.0421   74.594   11.412  2317.66  110.817  2157.08  170.349 160.5820 203.2219 
1 1 1    3    9   14 o  1879.12   87.734   55.583   5.1623   55.897   6.3014   54.940   9.0019  1878.90  107.552  1851.07  156.782 27.82947 190.1265 
1 1 1    3    9   16 o  1040.37  145.964   17.566   4.6242   0.0000   0.0000   17.566   4.6242  ?   ?   1040.37  145.964 0.000000 145.9645 
1 1 1    3    9   18 o  1668.50  104.670   44.275   5.4407   48.512   7.6147   39.856   7.7765  1736.01  141.309  1565.94  160.883 170.0719 214.1303 
1 1 1    3    9   20 o  3011.64  109.292  144.425   10.306  154.879   12.604  123.332   17.904  3108.21  129.506  2713.89  212.381 394.3237 248.7522 
1 1 1    3    9   22 o  384.730  145.524   1.8036   2.4026   0.0000   0.0000   1.8036   2.4026  ?   ?   384.730  145.524 0.000000 145.5238 
1 1 1    3    9   24 o  145.354   71.871  -2.7158   1.2039  -1.0312   1.8642  -3.9212   1.5769  245.717  111.545  160.590   79.889 85.12695 137.2025 
1 1 1    3    9   26 o  424.713  137.901   2.8858   2.0983   5.9435   3.0759   0.2243   2.8697  588.648  161.846  349.556  148.987 239.0915 219.9800 
1 1 1    3    9   28 o  826.271  175.217   11.954   4.3927   11.954   4.3927   0.0000   0.0000  826.271  175.217  ?   ?  0.000000 175.2173 
1 1 1    3    9   30 o  1067.33  117.973   18.879   3.8768   20.971   5.8922   17.283   5.1482  1089.21  178.979  991.158  172.124 98.05426 248.3149 
1 1 1    3    9   32 o  1172.57  116.180   22.825   4.2096   32.050   6.3717   15.679   5.6076  1365.68  151.558  919.334  200.451 446.3485 251.2974 
1 1 1    3    9   38 o  2481.43  196.133  112.150   15.115  112.150   15.115   0.0000   0.0000  2481.43  196.133  ?   ?  0.000000 196.1325 
1 1 1    3    9   40 o  3070.81  226.779  184.510   21.652  184.510   21.652   0.0000   0.0000  3070.81  226.779  ?   ?  0.000000 226.7788 
1 1 1    3    9   42 o  2230.20  202.232   95.621   13.969   95.621   13.969   0.0000   0.0000  2230.20  202.232  ?   ?  0.000000 202.2318 
1 1 1    3    9   44 o  561.797  231.477   5.7513   6.5761   5.7513   6.5761   0.0000   0.0000  561.797  231.477  ?   ?  0.000000 231.4768 
1 1 1    3    9   46 o  2517.14  240.485  146.818   18.724  146.818   18.724   0.0000   0.0000  2517.14  240.485  ?   ?  0.000000 240.4850 
1 1 1    3    9   48 o  686.039  266.227   17.978   8.1822   17.978   8.1822   0.0000   0.0000  686.039  266.227  ?   ?  0.000000 266.2272 
1 1 1    3    9   50 o  620.705  266.897   24.615   9.3567   24.615   9.3567   0.0000   0.0000  620.705  266.897  ?   ?  0.000000 266.8973 
1 1 1    3    9   52 o  322.198  163.131  -2.8382   8.2797  -2.8382   8.2797   0.0000   0.0000  322.198  163.131  ?   ?  0.000000 163.1306 
1 1 1    3    9   54 o  351.649  177.729   13.707   9.5168   13.707   9.5168   0.0000   0.0000  351.649  177.729  ?   ?  0.000000 177.7287 
1 1 1    3    9   56 o  ?   ?    5.7344   9.5746   5.7344   9.5746   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   10    1 o  359.658  108.614   2.0499   1.3261   2.0499   1.3261   0.0000   0.0000  359.658  108.614  ?   ?  0.000000 108.6140 
1 1 1    3   10    3 f  1633.58  101.835   42.154   5.1831   42.154   5.1831   0.0000   0.0000  1633.58  101.835  ?   ?  0.000000 101.8345 
1 1 1    3   10    5 o  3713.56  117.887  217.422   13.708  219.177   16.781  213.903   23.764  3722.15  143.986  3650.79  208.746 71.35742 253.5880 
1 1 1    3   10    7 o  2612.07   96.447  107.344   7.8885  105.435   9.6470  111.195   13.704  2585.44  119.163  2640.81  166.580 -55.36816 204.8139 
1 1 1    3   10    9 o  412.569  122.896   2.7196   1.7064   3.1786   2.3325   2.1912   2.5028  453.193  145.217  411.267  149.820 41.92670 208.6479 
1 1 1    3   10   11 o  673.041  114.820   7.3452   2.3330   6.8790   3.2810   7.8220   3.3179  645.233  162.492  688.208  157.387 -42.97534 226.2168 
1 1 1    3   10   13 o  2091.72   89.743   68.889   5.8779   72.154   7.1749   62.226   10.250  2135.42  107.650  1967.40  167.991 168.0197 199.5235 
1 1 1    3   10   15 o  2891.46  181.708  135.090   16.368   0.0000   0.0000  135.090   16.368  ?   ?   2891.46  181.708 0.000000 181.7085 
1 1 1    3   10   17 o  295.817  103.578   1.2296   1.1841   2.9392   1.4165  -2.7360   2.1574  422.544  106.961  229.631  109.303 192.9138 152.9307 
1 1 1    3   10   19 o  1061.54   83.233   17.918   2.7444   19.343   3.3489   15.003   4.7891  1099.99   98.262  948.162  167.430 151.8288 194.1347 
1 1 1    3   10   21 o  1312.54   82.116   27.380   3.3579   29.617   4.0810   22.689   5.9084  1361.59   96.342  1167.01  166.402 194.5826 192.2796 
1 1 1    3   10   23 o  545.054   96.942   4.8680   1.5939   4.4434   1.8625   6.0298   3.0806  516.152  117.834  595.925  161.198 -79.77380 199.6742 
1 1 1    3   10   25 o  1847.36   88.778   54.337   5.1354   61.335   6.2905   40.353   8.8922  1954.51  103.151  1538.94  188.470 415.5681 214.8509 
1 1 1    3   10   27 o  1422.95  109.072   32.839   4.8228   37.198   7.0393   28.983   6.6209  1490.96  152.947  1307.40  165.432 183.5621 225.3012 
1 1 1    3   10   31 o  1567.14  164.415   42.389   7.9478   0.0000   0.0000   42.389   7.9478  ?   ?   1567.14  164.415 0.000000 164.4153 
1 1 1    3   10   33 o  957.875  182.827   16.381   5.2836   0.0000   0.0000   16.381   5.2836  ?   ?   957.875  182.827 0.000000 182.8270 
1 1 1    3   10   35 o  1321.49  194.305   31.250   7.8001   31.250   7.8001   0.0000   0.0000  1321.49  194.305  ?   ?  0.000000 194.3055 
1 1 1    3   10   37 f  468.652  201.140   1.2340   5.2965   1.2340   5.2965   0.0000   0.0000  468.652  201.140  ?   ?  0.000000 201.1404 
1 1 1    3   10   39 f  2107.33  190.735   80.762   12.449   80.762   12.449   0.0000   0.0000  2107.33  190.735  ?   ?  0.000000 190.7353 
1 1 1    3   10   41 o  737.512  247.091   11.507   6.7200   11.507   6.7200   0.0000   0.0000  737.512  247.091  ?   ?  0.000000 247.0911 
1 1 1    3   10   43 o  622.522  240.620   7.8039   6.6634   7.8039   6.6634   0.0000   0.0000  622.522  240.620  ?   ?  0.000000 240.6195 
1 1 1    3   10   45 f  581.378  241.999   7.1421   7.2913   7.1421   7.2913   0.0000   0.0000  581.378  241.999  ?   ?  0.000000 241.9995 
1 1 1    3   10   47 o  2031.34  252.882  107.882   15.737  107.882   15.737   0.0000   0.0000  2031.34  252.882  ?   ?  0.000000 252.8820 
1 1 1    3   10   49 o  365.485  180.618  -2.9504   7.5679  -2.9504   7.5679   0.0000   0.0000  365.485  180.618  ?   ?  0.000000 180.6180 
1 1 1    3   10   51 o  397.606  196.766   6.7136   9.0951   6.7136   9.0951   0.0000   0.0000  397.606  196.766  ?   ?  0.000000 196.7657 
1 1 1    3   10   53 f  614.849  284.251   62.237   12.872   62.237   12.872   0.0000   0.0000  614.849  284.251  ?   ?  0.000000 284.2510 
1 1 1    3   10   55 o  397.638  199.975   36.721   11.211   36.721   11.211   0.0000   0.0000  397.638  199.975  ?   ?  0.000000 199.9746 
1 1 1    3   10   57 o  ?   ?    20.750   10.878   20.750   10.878   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   11    0 o  4707.33  139.176  350.162   20.514  343.777   25.122  362.940   35.539  4652.71  172.439  4743.79  240.036 -91.07080 295.5550 
1 1 1    3   11    2 o  5313.77  152.569  447.091   25.386  431.711   31.083  477.901   43.992  5205.17  190.707  5437.09  258.401 -231.9165 321.1547 
1 1 1    3   11    4 o  323.744   99.298   1.6486   1.1025   0.8610   1.2879   3.8074   2.1323  279.866  106.381  484.115  135.380 -204.2494 172.1761 
1 1 1    3   11    6 o  3917.76  122.324  242.199   15.006  239.735   18.369  247.143   26.020  3889.88  150.807  3921.29  212.708 -31.41528 260.7443 
1 1 1    3   11    8 o  482.138   98.723   3.7922   1.4403   3.7247   1.7264   3.9469   2.6120  476.528  116.644  498.437  152.839 -21.90884 192.2643 
1 1 1    3   11   10 o  2749.24  100.423  119.087   8.6449  122.095   10.573  113.020   15.016  2779.68  121.474  2653.44  181.826 126.2341 218.6699 
1 1 1    3   11   12 o  3427.44  138.774  186.516   14.893  189.990   21.064  183.043   21.061  3429.93  196.952  3364.40  200.836 65.53027 281.2916 
1 1 1    3   11   14 o  630.220  124.378   6.5179   2.3673   5.1664   3.3825   7.8154   3.3143  565.916  173.990  685.675  157.662 -119.7589 234.7970 
1 1 1    3   11   16 o  677.469  117.262   7.4955   2.3974   8.4487   3.4735   6.6283   3.3131  711.110  159.881  629.707  165.762 81.40332 230.3015 
1 1 1    3   11   18 o  1188.03   83.720   22.415   3.0945   27.165   3.7797   12.760   5.3890  1306.37   93.008  862.877  202.870 443.4919 223.1742 
1 1 1    3   11   20 o  1480.09   86.848   34.821   4.0073   38.651   4.9103   27.182   6.9344  1555.50  101.368  1275.52  178.511 279.9760 205.2839 
1 1 1    3   11   22 o  1330.50   89.965   28.230   3.7260   30.285   4.5560   24.079   6.4748  1373.29  106.792  1196.54  178.257 176.7495 207.7980 
1 1 1    3   11   24 o  1488.34  107.544   35.652   4.9782   40.251   6.8247   30.422   7.2775  1567.28  140.560  1343.08  177.388 224.1931 226.3261 
1 1 1    3   11   26 o  659.624  117.355   7.2242   2.3351   6.9897   3.0374   7.5631   3.6513  638.487  153.760  659.705  174.189 -21.21759 232.3441 
1 1 1    3   11   28 o  659.011  184.168   7.7034   3.9475   0.0000   0.0000   7.7034   3.9475  ?   ?   659.011  184.168 0.000000 184.1683 
1 1 1    3   11   30 o  1603.63  106.437   41.854   5.3142   41.854   5.3142   0.0000   0.0000  1603.63  106.437  ?   ?  0.000000 106.4370 
1 1 1    3   11   32 o  644.038  158.554   7.2496   3.1761   14.946   5.1982   2.6647   4.0121  915.876  187.568  469.326  185.157 446.5496 263.5621 
1 1 1    3   11   34 o  1592.15  130.979   42.011   6.4719   46.816   8.9433   36.728   9.3774  1645.79  176.286  1422.57  217.423 223.2159 279.9097 
1 1 1    3   11   36 o  953.904  232.015   17.331   6.8635   17.331   6.8635   0.0000   0.0000  953.904  232.015  ?   ?  0.000000 232.0150 
1 1 1    3   11   38 o  507.272  214.610   2.2816   5.8796   2.2816   5.8796   0.0000   0.0000  507.272  214.610  ?   ?  0.000000 214.6099 
1 1 1    3   11   40 o  521.963  220.164   2.9481   6.1581   2.9481   6.1581   0.0000   0.0000  521.963  220.164  ?   ?  0.000000 220.1639 
1 1 1    3   11   42 o  1613.32  206.849   49.668   10.209   49.668   10.209   0.0000   0.0000  1613.32  206.849  ?   ?  0.000000 206.8494 
1 1 1    3   11   44 o  1383.47  242.359   41.090   10.116   41.090   10.116   0.0000   0.0000  1383.47  242.359  ?   ?  0.000000 242.3587 
1 1 1    3   11   46 o  1223.03  263.973   38.379   9.8127   38.379   9.8127   0.0000   0.0000  1223.03  263.973  ?   ?  0.000000 263.9728 
1 1 1    3   11   48 o  510.852  233.886   9.1303   8.4225   9.1303   8.4225   0.0000   0.0000  510.852  233.886  ?   ?  0.000000 233.8864 
1 1 1    3   11   50 o  825.874  315.181   44.520   11.334   44.520   11.334   0.0000   0.0000  825.874  315.181  ?   ?  0.000000 315.1810 
1 1 1    3   11   52 o  ?   ?   -9.4959   8.4283  -9.4959   8.4283   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   11   54 o  351.121  178.124   12.517   10.207   12.517   10.207   0.0000   0.0000  351.121  178.124  ?   ?  0.000000 178.1243 
1 1 1    3   11   56 o  ?   ?    33.401   11.592   33.401   11.592   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   12    1 o  4993.55  144.183  394.524   22.545  373.960   27.599  435.758   39.082  4846.71  181.859  5200.08  240.022 -353.3599 301.1361 
1 1 1    3   12    3 o  2449.80   93.740   94.395   7.1907   93.838   8.7968   95.515   12.483  2439.73  115.151  2447.56  163.828 -7.831543 200.2481 
1 1 1    3   12    5 o  5277.18  152.999  441.646   25.282  438.529   30.956  447.889   43.812  5241.15  188.625  5239.62  267.934 1.526367 327.6706 
1 1 1    3   12    7 o  2262.41   91.106   80.534   6.4541   77.481   7.8769   86.770   11.258  2213.15  114.053  2332.57  155.026 -119.4263 192.4605 
1 1 1    3   12    9 f  2016.07   89.059   63.977   5.6221   69.529   6.8794   52.814   9.7555  2099.59  104.640  1810.32  174.252 289.2693 203.2565 
1 1 1    3   12   11 o  1412.55   82.661   31.515   3.6402   31.242   4.4296   32.083   6.3887  1403.29  101.493  1412.26  146.606 -8.973267 178.3092 
1 1 1    3   12   13 o  2049.52  158.398   67.709   10.086   0.0000   0.0000   67.709   10.086  ?   ?   2049.52  158.398 0.000000 158.3983 
1 1 1    3   12   15 o  446.298  124.414   3.2657   1.8038   4.7773   2.5376   1.7218   2.5646  537.159  146.723  391.395  149.793 145.7640 209.6796 
1 1 1    3   12   17 o  2881.48  125.233  132.689   11.299  150.107   16.084  115.715   15.877  3034.77  169.941  2648.33  192.787 386.4375 256.9961 
1 1 1    3   12   19 o  507.814  166.361   4.0792   3.0512   0.0000   0.0000   4.0792   3.0512  ?   ?   507.814  166.361 0.000000 166.3610 
1 1 1    3   12   21 o  1139.21  157.139   21.476   5.4562   0.0000   0.0000   21.476   5.4562  ?   ?   1139.21  157.139 0.000000 157.1395 
1 1 1    3   12   23 o  1226.98  103.630   24.201   3.9442   25.614   5.3144   22.468   5.8850  1250.33  138.044  1158.26  167.097 92.07166 216.7426 
1 1 1    3   12   25 o  1271.71   89.867   25.895   3.5555   28.589   4.3658   20.589   6.1270  1331.06  105.616  1093.93  185.499 237.1309 213.4590 
1 1 1    3   12   27 o  1492.90   91.459   35.783   4.2548   40.698   5.2160   26.010   7.3553  1586.05  105.632  1215.56  200.219 370.4932 226.3751 
1 1 1    3   12   29 o  618.476  159.765   6.6474   3.1159   6.6011   4.8315   6.6804   4.0770  619.532  209.506  617.704  191.203 1.827637 283.6394 
1 1 1    3   12   31 o  1723.34  109.475   48.188   5.8768   48.188   5.8768   0.0000   0.0000  1723.34  109.475  ?   ?  0.000000 109.4747 
1 1 1    3   12   33 o  2435.82  103.928   95.638   7.9267  100.741   9.4904   83.865   14.415  2486.58  121.889  2174.97  214.456 311.6187 246.6743 
1 1 1    3   12   35 o  2737.17  126.931  122.938   10.879  122.938   10.879   0.0000   0.0000  2737.17  126.931  ?   ?  0.000000 126.9307 
1 1 1    3   12   37 o  2733.64  126.926  123.452   10.864  123.452   10.864   0.0000   0.0000  2733.64  126.926  ?   ?  0.000000 126.9256 
1 1 1    3   12   39 f  1309.80  220.356   32.311   8.7166   32.311   8.7166   0.0000   0.0000  1309.80  220.356  ?   ?  0.000000 220.3561 
1 1 1    3   12   41 o  524.928  226.071   2.4345   6.7339   2.4345   6.7339   0.0000   0.0000  524.928  226.071  ?   ?  0.000000 226.0712 
1 1 1    3   12   43 o  2716.13  225.736  147.968   19.025  147.968   19.025   0.0000   0.0000  2716.13  225.736  ?   ?  0.000000 225.7362 
1 1 1    3   12   45 o  1029.19  288.545   28.806   9.6737   28.806   9.6737   0.0000   0.0000  1029.19  288.545  ?   ?  0.000000 288.5450 
1 1 1    3   12   47 o  451.457  212.407   2.4413   7.7118   2.4413   7.7118   0.0000   0.0000  451.457  212.407  ?   ?  0.000000 212.4070 
1 1 1    3   12   49 o  547.801  249.494   16.078   9.4237   16.078   9.4237   0.0000   0.0000  547.801  249.494  ?   ?  0.000000 249.4937 
1 1 1    3   12   51 o  364.873  182.460   0.5742   8.6973   0.5742   8.6973   0.0000   0.0000  364.873  182.460  ?   ?  0.000000 182.4602 
1 1 1    3   12   53 o  405.420  202.977   18.894   10.911   18.894   10.911   0.0000   0.0000  405.420  202.977  ?   ?  0.000000 202.9766 
1 1 1    3   12   55 o  ?   ?    2.9454   10.234   2.9454   10.234   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   13    0 o  3949.06  122.446  246.253   15.141  237.187   18.530  264.466   26.264  3866.46  153.057  4055.46  207.519 -189.0010 257.8574 
1 1 1    3   13    2 o  3973.62  123.492  249.421   15.365  241.292   18.803  265.761   26.658  3898.72  154.022  4062.58  210.281 -163.8635 260.6551 
1 1 1    3   13    4 o  1589.10  102.521   39.957   5.0741   38.343   7.0797   41.661   7.2760  1547.67  147.890  1614.35  145.502 -66.68054 207.4663 
1 1 1    3   13    6 o  1565.31   83.797   38.653   4.0923   37.964   4.9747   40.095   7.1973  1548.21  103.208  1582.19  146.955 -33.97656 179.5766 
1 1 1    3   13    8 o  2808.41  101.155  124.443   8.8953  124.187   10.880  124.961   15.449  2800.06  124.089  2786.56  177.990 13.50366 216.9762 
1 1 1    3   13   10 o  2225.62   91.649   78.118   6.3870   86.819   7.8276   60.785   11.048  2343.28  106.681  1933.91  184.688 409.3771 213.2853 
1 1 1    3   13   12 o  945.464  117.609   14.397   3.4065   14.540   5.1351   14.284   4.5525  933.612  182.198  930.589  162.126 3.023865 243.8873 
1 1 1    3   13   14 o  1126.26  103.714   20.266   3.6165   25.354   5.0588   14.947   5.1720  1254.03  130.755  945.221  181.343 308.8111 223.5673 
1 1 1    3   13   16 o  999.614  104.019   16.021   3.2081   14.541   4.4224   17.664   4.6611  938.082  156.036  1038.63  147.461 -100.5464 214.6907 
1 1 1    3   13   18 o  445.466  132.267   3.2293   1.9789   6.1274   2.6211  -0.6120   3.0177  605.782  140.851  338.259  148.416 267.5228 204.6126 
1 1 1    3   13   20 o  2652.50  102.321  111.906   8.4984  124.843   10.418   86.175   14.693  2793.87  119.085  2263.95  209.644 529.9185 241.1054 
1 1 1    3   13   22 o  568.153  151.621   5.4400   2.7476   12.054   4.4492   1.3628   3.4932  841.539  174.570  418.345  170.108 423.1941 243.7449 
1 1 1    3   13   24 o  1282.31  159.316   27.446   6.2590   0.0000   0.0000   27.446   6.2590  ?   ?   1282.31  159.316 0.000000 159.3161 
1 1 1    3   13   26 o  1504.69  123.573   36.948   5.7708   43.470   7.9701   29.760   8.3665  1611.58  160.058  1298.90  213.100 312.6833 266.5149 
1 1 1    3   13   28 o  423.653  136.893   2.8869   2.0695   3.4831   2.2455  -0.4740   5.3315  459.182  141.863  446.420  196.540 12.76126 242.3898 
1 1 1    3   13   30 o  1704.71  174.149   49.161   9.1653   49.161   9.1653   0.0000   0.0000  1704.71  174.149  ?   ?  0.000000 174.1488 
1 1 1    3   13   32 o  1150.68  204.900   23.314   7.1121   23.314   7.1121   0.0000   0.0000  1150.68  204.900  ?   ?  0.000000 204.8998 
1 1 1    3   13   34 o  2987.66  142.029  147.251   13.287  147.251   13.287   0.0000   0.0000  2987.66  142.029  ?   ?  0.000000 142.0290 
1 1 1    3   13   36 o  2384.83  110.489   92.352   8.2508  103.608   9.8964   66.693   14.942  2509.52  126.346  1870.32  262.353 639.2002 291.1915 
1 1 1    3   13   38 o  548.459  139.363   5.2070   2.3983   5.2070   2.3983   0.0000   0.0000  548.459  139.363  ?   ?  0.000000 139.3632 
1 1 1    3   13   40 o  704.611  124.382   8.4360   2.6439   8.4360   2.6439   0.0000   0.0000  704.611  124.382  ?   ?  0.000000 124.3815 
1 1 1    3   13   42 o  398.188  190.823  -6.2499   6.8173  -6.2499   6.8173   0.0000   0.0000  398.188  190.823  ?   ?  0.000000 190.8233 
1 1 1    3   13   44 o  572.819  246.113   6.1884   7.9450   6.1884   7.9450   0.0000   0.0000  572.819  246.113  ?   ?  0.000000 246.1130 
1 1 1    3   13   46 o  644.831  266.378   13.845   8.7385   13.845   8.7385   0.0000   0.0000  644.831  266.378  ?   ?  0.000000 266.3781 
1 1 1    3   13   48 o  883.434  310.484   35.191   10.644   35.191   10.644   0.0000   0.0000  883.434  310.484  ?   ?  0.000000 310.4845 
1 1 1    3   13   50 o  437.821  212.643   7.6876   9.1804   7.6876   9.1804   0.0000   0.0000  437.821  212.643  ?   ?  0.000000 212.6431 
1 1 1    3   13   52 o  ?   ?   -5.7850   9.6357  -5.7850   9.6357   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   13   54 o  ?   ?    10.367   10.929   10.367   10.929   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   14    1 o  518.816  130.155   4.4298   2.1109   9.4840   2.9156  -1.1377   3.0601  764.278  126.238  329.857  146.864 434.4209 193.6618 
1 1 1    3   14    3 o  3165.55  106.539  158.192   10.560  151.579   12.917  171.518   18.337  3091.43  133.444  3266.71  179.960 -175.2820 224.0379 
1 1 1    3   14    5 o  1747.44   85.274   48.078   4.6659   49.249   5.7015   45.703   8.1188  1763.24  103.724  1685.98  155.542 77.25940 186.9550 
1 1 1    3   14    7 o  2434.85   94.761   93.520   7.2247   98.531   8.8530   83.529   12.501  2495.21  113.310  2273.68  176.978 221.5325 210.1436 
1 1 1    3   14    9 o  1324.40  103.492   27.897   4.2577   26.780   5.8700   29.138   6.1850  1286.81  148.403  1342.60  149.668 -55.79333 210.7699 
1 1 1    3   14   11 o  733.105  174.980   9.0089   3.9610   0.0000   0.0000   9.0089   3.9610  ?   ?   733.105  174.980 0.000000 174.9802 
1 1 1    3   14   13 o  793.675  110.836   10.180   2.6793   10.316   3.7659   10.040   3.8129  787.848  158.149  776.090  162.127 11.75769 226.4870 
1 1 1    3   14   15 o  673.957  121.662   7.4459   2.4730   8.1447   3.3810   6.6418   3.6266  697.852  158.355  630.557  176.632 67.29553 237.2238 
1 1 1    3   14   17 o  1178.33   88.548   22.076   3.2432   24.534   3.9999   17.359   5.5413  1239.07  104.058  1018.61  180.335 220.4584 208.2034 
1 1 1    3   14   19 o  350.131  123.058   1.7416   1.6721  -0.7342   2.0806   6.2571   2.8099  272.334  121.188  610.801  148.384 -338.4666 191.5838 
1 1 1    3   14   21 o  1735.90   96.116   48.040   5.2040   53.197   6.2448   36.321   9.4143  1821.99  109.976  1457.72  212.500 364.2694 239.2715 
1 1 1    3   14   23 o  465.656  139.994   3.5704   2.2067   2.0195   2.4237   11.087   5.3355  394.412  146.780  793.513  211.062 -399.1012 257.0829 
1 1 1    3   14   27 o  385.837  174.196  -1.7939   4.4732  -1.7939   4.4732   0.0000   0.0000  385.837  174.196  ?   ?  0.000000 174.1956 
1 1 1    3   14   29 o  1673.40  177.394   47.096   9.1534   47.096   9.1534   0.0000   0.0000  1673.40  177.394  ?   ?  0.000000 177.3941 
1 1 1    3   14   31 o  522.470  191.352   3.9669   4.0906   1.5255   5.3603   7.3713   6.3298  493.440  206.621  671.158  239.056 -177.7186 315.9745 
1 1 1    3   14   33 o  2727.77  135.340  121.549   11.560  123.730   16.072  119.212   16.639  2691.07  191.989  2627.48  203.839 63.59155 280.0184 
1 1 1    3   14   35 o  1283.89  152.024   27.717   5.9929   21.913   8.0621   34.884   8.9593  1083.47  243.559  1401.19  210.725 -317.7156 322.0652 
1 1 1    3   14   37 o  1338.49  221.538   32.674   8.9602   32.674   8.9602   0.0000   0.0000  1338.49  221.538  ?   ?  0.000000 221.5381 
1 1 1    3   14   39 o  3427.73  147.615  197.598   15.844  197.598   15.844   0.0000   0.0000  3427.73  147.615  ?   ?  0.000000 147.6151 
1 1 1    3   14   41 o  1308.72  120.290   28.654   4.8742   28.654   4.8742   0.0000   0.0000  1308.72  120.290  ?   ?  0.000000 120.2904 
1 1 1    3   14   43 o  2346.42  116.533   93.251   8.5619   93.251   8.5619   0.0000   0.0000  2346.42  116.533  ?   ?  0.000000 116.5328 
1 1 1    3   14   45 o  654.209  270.558   12.978   9.0296   12.978   9.0296   0.0000   0.0000  654.209  270.558  ?   ?  0.000000 270.5581 
1 1 1    3   14   47 o  873.110  310.760   31.597   10.695   31.597   10.695   0.0000   0.0000  873.110  310.760  ?   ?  0.000000 310.7604 
1 1 1    3   14   49 o  ?   ?  -23.5258   9.0751 -23.5258   9.0751   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   15    0 o  392.054  122.342   2.4177   1.6654   3.0357   2.0788   1.3107   2.7825  438.397  136.669  387.605  153.790 50.79132 205.7413 
1 1 1    3   15    2 o  1561.11   85.899   38.500   4.1827   40.304   5.1165   34.865   7.2625  1594.31  103.043  1468.68  160.536 125.6218 190.7610 
1 1 1    3   15    4 o  2483.21  117.742   97.675   9.1551   94.793   12.890  100.610   13.005  2425.26  170.827  2500.42  167.072 -75.15698 238.9453 
1 1 1    3   15    6 o  1608.78  106.813   41.104   5.3501   45.329   7.4553   36.619   7.6821  1680.64  143.029  1502.66  166.042 177.9858 219.1515 
1 1 1    3   15    8 o  2789.07  125.334  123.570   10.946  131.462   15.436  115.588   15.524  2853.12  173.602  2668.14  186.997 184.9792 255.1579 
1 1 1    3   15   10 o  549.099  119.632   4.9675   1.9987   4.4815   2.4889   5.8501   3.3542  522.159  146.347  595.539  170.926 -73.37952 225.0178 
1 1 1    3   15   12 o  1281.50   86.984   26.028   3.4697   27.834   4.3303   22.789   5.7994  1321.72  105.509  1180.85  161.043 140.8701 192.5281 
1 1 1    3   15   14 o  1137.23   86.697   20.532   3.0640   24.465   3.8130   13.363   5.1475  1239.52   99.070  890.559  190.366 348.9579 214.6025 
1 1 1    3   15   16 o  1505.64   93.574   36.004   4.3897   39.133   5.2720   28.929   7.9264  1566.31  108.157  1315.57  198.602 250.7357 226.1432 
1 1 1    3   15   18 o  1211.81   97.537   23.436   3.6697   23.556   4.3452   23.136   6.8531  1210.21  116.089  1172.78  193.356 37.42639 225.5285 
1 1 1    3   15   20 o  1140.16  114.025   20.966   4.0163   20.966   4.0163   0.0000   0.0000  1140.16  114.025  ?   ?  0.000000 114.0255 
1 1 1    3   15   22 f  700.909  134.116   8.1785   2.8362   8.1785   2.8362   0.0000   0.0000  700.909  134.116  ?   ?  0.000000 134.1157 
1 1 1    3   15   24 o  517.601  153.099   4.4581   2.6551   4.4581   2.6551   0.0000   0.0000  517.601  153.099  ?   ?  0.000000 153.0989 
1 1 1    3   15   26 o  1700.40  118.741   46.629   6.2825   49.709   8.1818   42.205   9.8070  1740.24  151.666  1573.77  203.798 166.4756 254.0398 
1 1 1    3   15   28 o  894.041  121.772   13.061   3.3203   13.660   3.7436   10.852   7.1881  910.337  135.459  787.604  255.194 122.7327 288.9171 
1 1 1    3   15   30 o  689.009  195.716   8.2036   4.4205   5.1792   5.7949   12.413   6.8364  603.439  226.489  832.441  245.506 -229.0020 334.0220 
1 1 1    3   15   32 o  1341.90  142.838   29.689   5.9095   29.731   7.9111   29.635   8.8887  1313.52  198.542  1293.49  227.782 20.02673 302.1642 
1 1 1    3   15   34 o  1956.79  135.639   62.829   8.2596   64.486   11.291   60.922   12.114  1942.68  187.967  1868.28  210.757 74.39990 282.4001 
1 1 1    3   15   36 o  3015.05  123.919  148.117   11.699  161.505   14.037  117.667   21.170  3127.77  143.327  2495.56  275.509 632.2087 310.5610 
1 1 1    3   15   38 o  1177.31  248.918   26.314   8.8892   26.314   8.8892   0.0000   0.0000  1177.31  248.918  ?   ?  0.000000 248.9176 
1 1 1    3   15   40 o  832.265  137.934   11.859   3.4687   11.859   3.4687   0.0000   0.0000  832.265  137.934  ?   ?  0.000000 137.9344 
1 1 1    3   15   42 o  457.563  150.558   3.6549   2.4981   3.6549   2.4981   0.0000   0.0000  457.563  150.558  ?   ?  0.000000 150.5580 
1 1 1    3   15   44 o  566.600  154.392   6.1494   2.8138   6.1494   2.8138   0.0000   0.0000  566.600  154.392  ?   ?  0.000000 154.3918 
1 1 1    3   15   46 o  328.949  129.959   1.5449   1.9791   1.5449   1.9791   0.0000   0.0000  328.949  129.959  ?   ?  0.000000 129.9590 
1 1 1    3   15   52 o  530.274  254.743   32.790   12.315   32.790   12.315   0.0000   0.0000  530.274  254.743  ?   ?  0.000000 254.7435 
1 1 1    3   16    1 o  3372.68  136.157  180.823   14.379  201.407   20.464  160.749   20.209  3532.15  185.678  3143.22  206.475 388.9385 277.6844 
1 1 1    3   16    3 o  1262.65  107.141   25.376   4.1960   27.000   5.8712   23.680   5.9990  1293.57  147.592  1206.33  162.990 87.24524 219.8847 
1 1 1    3   16    5 o  3362.55  112.030  178.921   11.796  183.882   14.440  168.973   20.449  3400.46  135.618  3222.80  203.685 177.6558 244.7037 
1 1 1    3   16    7 o  797.493  101.051   10.203   2.4668   10.663   2.9877   9.2174   4.3723  811.436  121.312  741.729  188.008 69.70642 223.7491 
1 1 1    3   16    9 o  1754.18   88.843   48.649   4.8640   48.662   5.9727   48.624   8.3813  1750.01  109.549  1736.44  155.804 13.55994 190.4626 
1 1 1    3   16   11 o  1075.22   95.778   18.404   3.1909   19.644   3.7949   15.410   5.8948  1108.15  110.854  956.277  203.136 151.8765 231.4150 
1 1 1    3   16   13 o  1617.95  109.668   41.692   5.5232   37.606   7.3481   46.998   8.3740  1522.79  156.322  1703.08  158.863 -180.2844 222.8767 
1 1 1    3   16   15 o  2528.26  121.061  101.805   9.5839  101.805   9.5839   0.0000   0.0000  2528.26  121.061  ?   ?  0.000000 121.0608 
1 1 1    3   16   17 f  1442.93  112.337   33.336   5.0356   33.336   5.0356   0.0000   0.0000  1442.93  112.337  ?   ?  0.000000 112.3373 
1 1 1    3   16   19 o  839.753  126.241   11.533   3.2168   11.533   3.2168   0.0000   0.0000  839.753  126.241  ?   ?  0.000000 126.2405 
1 1 1    3   16   21 o  1893.29   97.466   57.100   5.7585   56.951   6.9000   57.442   10.453  1883.51  117.582  1860.40  181.756 23.11401 216.4737 
1 1 1    3   16   23 o  820.057  120.583   10.980   3.0039   11.283   3.3671   9.7977   6.6487  827.575  134.561  758.118  245.411 69.45709 279.8807 
1 1 1    3   16   25 o  954.279  109.486   14.696   3.2123   12.215   3.6173   23.950   6.9873  860.830  138.928  1190.44  194.143 -329.6087 238.7312 
1 1 1    3   16   27 f  1076.55  122.855   18.791   4.0672   15.578   4.9517   25.453   7.1306  963.601  170.343  1228.50  191.620 -264.8998 256.3885 
1 1 1    3   16   29 o  2271.83  106.172   82.323   7.5527   87.185   9.0547   71.206   13.693  2326.75  124.735  2045.00  217.161 281.7448 250.4353 
1 1 1    3   16   31 o  1184.54  113.768   22.690   4.1678   24.508   4.7474   16.579   8.7043  1227.44  125.277  947.801  276.313 279.6393 303.3865 
1 1 1    3   16   33 o  1164.03  224.305   24.012   7.8791   24.012   7.8791   0.0000   0.0000  1164.03  224.305  ?   ?  0.000000 224.3048 
1 1 1    3   16   35 o  849.232  207.211   12.848   5.4613   4.0179   7.2700   24.285   8.2739  602.146  245.188  1157.67  236.247 -555.5241 340.4842 
1 1 1    3   16   37 o  2681.39  143.295  118.968   11.988  119.091   16.449  118.829   17.506  2614.23  202.530  2591.15  217.784 23.07886 297.4028 
1 1 1    3   16   39 o  866.391  148.296   12.894   3.8785   12.894   3.8785   0.0000   0.0000  866.391  148.296  ?   ?  0.000000 148.2964 
1 1 1    3   16   41 o  802.666  288.806   14.950   9.2608   14.950   9.2608   0.0000   0.0000  802.666  288.806  ?   ?  0.000000 288.8055 
1 1 1    3   16   43 o  1284.20  158.600   30.383   6.2420   30.383   6.2420   0.0000   0.0000  1284.20  158.600  ?   ?  0.000000 158.5997 
1 1 1    3   16   45 o  423.034  155.732   3.2338   2.7144   3.2338   2.7144   0.0000   0.0000  423.034  155.732  ?   ?  0.000000 155.7319 
1 1 1    3   16   47 o  516.007  161.104   5.6329   2.8874   5.6329   2.8874   0.0000   0.0000  516.007  161.104  ?   ?  0.000000 161.1043 
1 1 1    3   16   49 o  386.450  193.520  -5.8165   9.9417  -5.8165   9.9417   0.0000   0.0000  386.450  193.520  ?   ?  0.000000 193.5198 
1 1 1    3   16   51 o  395.935  197.777   1.8721   10.092   1.8721   10.092   0.0000   0.0000  395.935  197.777  ?   ?  0.000000 197.7772 
1 1 1    3   17    0 o  1977.52  112.279   62.037   6.9237   64.370   9.8481   59.756   9.7361  2001.75  158.412  1926.83  162.897 74.92322 227.2223 
1 1 1    3   17    2 o  2037.09  112.564   65.830   7.1522   68.766   10.218   63.008   10.015  2069.00  158.928  1978.63  163.100 90.36499 227.7273 
1 1 1    3   17    4 o  1067.99   97.699   18.145   3.2310   20.876   4.0730   13.509   5.3066  1142.83  115.399  898.721  194.239 244.1091 225.9326 
1 1 1    3   17    6 o  2648.41  100.844  110.770   8.3628  110.062   10.256  112.175   14.445  2634.02  124.353  2636.60  175.984 -2.579590 215.4855 
1 1 1    3   17    8 f  937.261  102.011   14.041   2.9455   12.687   3.4905   17.392   5.4896  884.529  129.893  1026.13  177.261 -141.6031 219.7582 
1 1 1    3   17   10 o  1137.61  116.020   20.728   4.0750   20.728   4.0750   0.0000   0.0000  1137.61  116.020  ?   ?  0.000000 116.0197 
1 1 1    3   17   12 o  1261.57  113.405   25.448   4.4320   25.448   4.4320   0.0000   0.0000  1261.57  113.405  ?   ?  0.000000 113.4052 
1 1 1    3   17   14 o  1623.92  111.226   42.066   5.6216   42.066   5.6216   0.0000   0.0000  1623.92  111.226  ?   ?  0.000000 111.2255 
1 1 1    3   17   16 o  1956.28  118.496   61.185   7.2243   66.862   9.7917   54.403   10.702  2030.64  155.170  1814.18  191.284 216.4576 246.3077 
1 1 1    3   17   18 o  1016.35  108.913   16.604   3.4121   17.200   3.9112   14.707   6.9805  1030.85  123.636  918.012  240.105 112.8432 270.0670 
1 1 1    3   17   20 o  1712.86   96.614   46.646   5.1607   45.324   6.1261   49.878   9.5772  1682.35  117.021  1740.55  178.240 -58.19458 213.2212 
1 1 1    3   17   22 o  1607.40  100.466   41.133   5.0312   44.957   5.9165   31.145   9.5619  1677.03  113.335  1347.40  235.192 329.6276 261.0746 
1 1 1    3   17   24 o  820.740  121.329   10.964   3.0241   8.4072   3.4065   20.470   6.5692  708.378  157.640  1101.60  197.710 -393.2224 252.8625 
1 1 1    3   17   26 o  770.177  136.032   9.7793   3.1606   10.757   3.5197   5.7064   7.1824  806.309  144.726  657.615  250.917 148.6936 289.6639 
1 1 1    3   17   28 o  2138.47  126.282   73.522   8.4184   78.890   11.100   66.255   12.916  2196.90  162.516  1983.77  211.178 213.1300 266.4726 
1 1 1    3   17   30 o  378.156  149.874   1.3493   2.6399   3.5096   2.8527 -11.5318   6.9660  476.589  160.984  375.611  183.059 100.9775 243.7754 
1 1 1    3   17   32 o  828.335  144.467   11.438   3.6108   11.070   3.9790   13.156   8.5945  808.603  162.786  855.446  279.154 -46.84247 323.1506 
1 1 1    3   17   34 o  2894.68  205.107  142.821   18.470  142.821   18.470   0.0000   0.0000  2894.68  205.107  ?   ?  0.000000 205.1067 
1 1 1    3   17   36 o  1386.48  166.951   32.428   7.1023   36.225   9.3015   27.118   10.999  1435.60  213.413  1178.03  297.972 257.5634 366.5141 
1 1 1    3   17   38 o  1455.65  162.584   36.166   7.2840   36.166   7.2840   0.0000   0.0000  1455.65  162.584  ?   ?  0.000000 162.5844 
1 1 1    3   17   44 o  1707.47  137.930   52.521   7.3115   52.521   7.3115   0.0000   0.0000  1707.47  137.930  ?   ?  0.000000 137.9302 
1 1 1    3   17   46 o  550.942  175.583   6.4638   3.4135   6.4638   3.4135   0.0000   0.0000  550.942  175.583  ?   ?  0.000000 175.5827 
1 1 1    3   17   48 o  383.653  191.523  -8.0516   9.3984  -8.0516   9.3984   0.0000   0.0000  383.653  191.523  ?   ?  0.000000 191.5235 
1 1 1    3   17   50 o  482.092  160.698   5.4139   2.8425   5.4139   2.8425   0.0000   0.0000  482.092  160.698  ?   ?  0.000000 160.6977 
1 1 1    3   18    1 o  1289.97   94.803   26.381   3.8025   26.017   4.7324   27.044   6.3873  1276.24  119.825  1291.29  161.503 -15.04846 201.0999 
1 1 1    3   18    3 o  473.965  161.190   3.3397   2.8602   4.6791   3.9491   1.8620   4.1480  557.346  189.406  468.086  187.112 89.25986 266.2430 
1 1 1    3   18    5 o  1352.46  169.705   29.767   7.0286   29.767   7.0286   0.0000   0.0000  1352.46  169.705  ?   ?  0.000000 169.7052 
1 1 1    3   18    7 o  1077.53  181.174   19.180   5.8959   19.180   5.8959   0.0000   0.0000  1077.53  181.174  ?   ?  0.000000 181.1741 
1 1 1    3   18    9 o  1442.36  173.444   33.949   7.6764   33.949   7.6764   0.0000   0.0000  1442.36  173.444  ?   ?  0.000000 173.4441 
1 1 1    3   18   11 o  571.766  142.725   5.4267   2.5473   7.6037   2.9129  -1.6498   5.2517  677.829  141.798  432.709  192.546 245.1196 239.1248 
1 1 1    3   18   13 o  1772.16  120.058   50.151   6.6228   48.747   9.1859   51.670   9.5572  1729.50  171.901  1780.33  173.651 -50.83276 244.3453 
1 1 1    3   18   15 o  1231.03  135.033   24.477   5.1196   26.874   6.9142   21.568   7.6172  1277.02  177.731  1125.52  224.012 151.5007 285.9545 
1 1 1    3   18   17 o  1294.76   86.299   26.578   3.4787   27.372   4.7188   25.632   5.1484  1307.47  116.481  1260.79  132.388 46.68103 176.3361 
1 1 1    3   18   19 o  783.001  110.479   9.9094   2.6334   10.634   3.4163   8.8480   4.1339  804.534  140.738  724.985  182.289 79.54865 230.2959 
1 1 1    3   18   21 o  806.817  109.169   10.502   2.6872   9.8496   3.5107   11.425   4.1757  771.293  150.767  828.135  166.800 -56.84137 224.8400 
1 1 1    3   18   23 o  682.193  145.170   7.7254   3.0058   6.6313   3.3860   11.792   6.5280  629.992  168.408  830.599  238.471 -200.6068 291.9408 
1 1 1    3   18   25 o  1252.52  105.843   25.058   4.1122   21.779   4.6794   36.181   8.6174  1160.74  131.042  1478.03  190.643 -317.2932 231.3368 
1 1 1    3   18   27 o  522.486  161.183   4.4330   2.9001   4.5868   3.1741   3.6564   7.1343  533.831  169.228  608.912  244.686 -75.08142 297.5053 
1 1 1    3   18   29 o  2277.27  105.103   82.495   7.4946   84.620   8.8454   77.089   14.111  2296.45  123.463  2140.88  213.333 155.5686 246.4836 
1 1 1    3   18   31 o  521.197  167.152   4.3799   3.0899   3.6464   3.3223   9.0781   8.4084  494.880  173.486  756.439  274.753 -261.5592 324.9409 
1 1 1    3   18   33 f  2709.56  157.663  120.324   13.319  171.734   18.039   58.710   19.748  3217.45  179.771  1712.69  378.332 1504.765 418.8708 
1 1 1    3   18   37 o  1338.83  282.579   35.019   11.474   0.0000   0.0000   35.019   11.474  ?   ?   1338.83  282.579 0.000000 282.5792 
1 1 1    3   18   39 o  1078.71  287.840   24.964   9.9029   24.964   9.9029   0.0000   0.0000  1078.71  287.840  ?   ?  0.000000 287.8396 
1 1 1    3   18   41 o  756.364  287.303   13.609   9.3899   13.609   9.3899   0.0000   0.0000  756.364  287.303  ?   ?  0.000000 287.3029 
1 1 1    3   18   43 o  715.414  286.885   13.947   9.7850   13.947   9.7850   0.0000   0.0000  715.414  286.885  ?   ?  0.000000 286.8851 
1 1 1    3   18   45 o  816.771  314.018   24.063   11.303   24.063   11.303   0.0000   0.0000  816.771  314.018  ?   ?  0.000000 314.0182 
1 1 1    3   18   47 o  461.494  225.182  -0.9457   10.630  -0.9457   10.630   0.0000   0.0000  461.494  225.182  ?   ?  0.000000 225.1824 
1 1 1    3   18   49 o  605.879  180.229   8.6527   3.6717   8.6527   3.6717   0.0000   0.0000  605.879  180.229  ?   ?  0.000000 180.2289 
1 1 1    3   19    0 o  2274.10  119.570   82.155   8.4844   82.155   8.4844   0.0000   0.0000  2274.10  119.570  ?   ?  0.000000 119.5704 
1 1 1    3   19    2 o  2179.94  119.130   75.510   8.1010   75.510   8.1010   0.0000   0.0000  2179.94  119.130  ?   ?  0.000000 119.1301 
1 1 1    3   19    4 o  1266.12  119.941   25.627   4.6984   25.627   4.6984   0.0000   0.0000  1266.12  119.941  ?   ?  0.000000 119.9408 
1 1 1    3   19    6 o  1433.10   95.892   32.557   4.2782   37.144   5.2030   22.981   7.5174  1528.43  109.440  1172.25  212.631 356.1797 239.1424 
1 1 1    3   19    8 o  964.186  143.376   15.129   4.1969   16.858   5.7338   13.133   6.1597  1006.58  188.858  879.684  223.248 126.8912 292.4160 
1 1 1    3   19   10 o  809.427  166.820   10.884   4.0875   15.564   5.6849   5.8744   5.8812  964.349  194.969  640.642  230.190 323.7076 301.6628 
1 1 1    3   19   12 o  1312.51  131.096   27.657   5.3157   27.225   7.1617   28.188   7.9322  1287.35  182.801  1304.34  200.645 -16.98523 271.4310 
1 1 1    3   19   14 o  1425.62  103.428   32.295   4.5856   36.817   7.8085   29.915   5.6654  1505.39  168.546  1364.81  134.309 140.5758 215.5150 
1 1 1    3   19   16 o  1251.32   89.052   24.811   3.4665   29.385   4.6421   19.044   5.2119  1358.34  110.088  1080.06  158.855 278.2747 193.2722 
1 1 1    3   19   18 o  1287.77   88.880   26.268   3.5620   30.008   4.8094   21.723   5.3013  1372.19  112.936  1157.37  149.797 214.8126 187.5993 
1 1 1    3   19   20 o  279.273  123.741  -0.7051   2.1466  -1.7893   2.7114   1.1162   3.5140  290.854  132.994  416.772  170.170 -125.9183 215.9749 
1 1 1    3   19   22 o  308.986  132.409  -0.0802   2.2889   2.0107   2.8312  -4.0258   3.8891  415.860  157.807  321.046  150.983 94.81406 218.4012 
1 1 1    3   19   24 o  1080.21  116.288   18.734   3.8713   17.048   4.4405   24.075   7.9038  1023.41  142.428  1193.75  219.539 -170.3323 261.6927 
1 1 1    3   19   26 o  1308.54  109.696   27.364   4.4532   30.129   5.1094   18.628   9.0828  1370.78  120.254  1027.80  276.275 342.9753 301.3114 
1 1 1    3   19   28 o  2336.99  131.524   87.638   9.5854   95.161   12.693   77.652   14.623  2416.90  168.775  2152.89  220.013 264.0088 277.2918 
1 1 1    3   19   30 o  1948.54  138.455   61.292   8.3926   76.138   10.711   37.676   13.509  2162.55  159.293  1438.85  309.055 723.7074 347.6908 
1 1 1    3   19   32 o  604.059  190.283   6.0276   4.0180   5.9653   4.4486   6.3034   9.3619  607.357  200.966  711.862  282.204 -104.5048 346.4487 
1 1 1    3   19   34 o  766.750  232.253   10.369   6.0568   15.459   7.8940   3.0824   9.4441  919.273  261.686  644.508  272.294 274.7651 377.6549 
1 1 1    3   19   36 f  918.176  269.372   16.233   8.2493   16.233   8.2493   0.0000   0.0000  918.176  269.372  ?   ?  0.000000 269.3716 
1 1 1    3   19   38 o  347.769  171.543 -12.2740   6.7150 -12.2740   6.7150   0.0000   0.0000  347.769  171.543  ?   ?  0.000000 171.5427 
1 1 1    3   19   40 o  507.907  192.929   4.1349   4.2343   4.1349   4.2343   0.0000   0.0000  507.907  192.929  ?   ?  0.000000 192.9291 
1 1 1    3   19   42 o  320.796  149.120  -2.0952   3.6158  -2.0952   3.6158   0.0000   0.0000  320.796  149.120  ?   ?  0.000000 149.1201 
1 1 1    3   19   44 o  523.326  244.479   1.6368   9.9135   1.6368   9.9135   0.0000   0.0000  523.326  244.479  ?   ?  0.000000 244.4794 
1 1 1    3   19   46 o  532.583  245.631   5.3573   9.5273   5.3573   9.5273   0.0000   0.0000  532.583  245.631  ?   ?  0.000000 245.6310 
1 1 1    3   19   48 o  579.528  266.823   13.707   11.174   13.707   11.174   0.0000   0.0000  579.528  266.823  ?   ?  0.000000 266.8232 
1 1 1    3   20    1 o  1768.90   95.084   49.466   5.2472   50.214   6.4910   48.055   8.9141  1777.83  117.260  1726.16  167.010 51.67297 204.0644 
1 1 1    3   20    3 o  283.305  128.238  -1.3471   2.4426  -2.7532   2.9438   1.7601   4.3761  286.357  133.590  475.193  191.395 -188.8357 233.4064 
1 1 1    3   20    5 o  2423.43  100.704   92.659   7.6418   99.255   9.3167   79.099   13.359  2504.44  118.805  2208.02  195.227 296.4155 228.5355 
1 1 1    3   20    7 o  638.069  183.713   6.6904   3.8693   6.0941   5.0453   7.5419   6.0293  632.433  214.089  697.190  234.047 -64.75726 317.1944 
1 1 1    3   20    9 o  1373.71  127.965   30.156   5.4410   23.739   7.2629   38.364   8.2140  1198.64  200.598  1539.01  173.475 -340.3713 265.2035 
1 1 1    3   20   11 o  671.475  157.969   7.4704   3.2659   6.6343   3.7922   9.8708   6.4255  635.308  181.559  776.276  239.996 -140.9686 300.9346 
1 1 1    3   20   13 o  477.855  187.838   2.2017   4.1151   5.0179   5.4120  -1.6578   6.3357  606.583  220.411  482.504  213.245 124.0783 306.6830 
1 1 1    3   20   15 o  1058.48  155.384   18.210   4.9967   0.0000   0.0000   18.210   4.9967  ?   ?   1058.48  155.384 0.000000 155.3842 
1 1 1    3   20   17 o  737.604  133.286   8.8880   2.9651   8.4191   3.9872   9.4682   4.4351  711.125  179.147  753.152  188.506 -42.02667 260.0536 
1 1 1    3   20   19 o  1333.47   92.072   28.158   3.8208   32.906   5.1487   22.337   5.7003  1437.68  115.342  1172.58  159.382 265.0962 196.7394 
1 1 1    3   20   21 o  814.467  119.298   10.727   2.9523   9.6549   3.8468   12.263   4.6050  762.207  165.889  858.630  177.160 -96.42297 242.7031 
1 1 1    3   20   23 o  727.472  154.725   8.7775   3.4160   19.972   4.8039  -2.6727   4.8586  1110.70  141.331  395.931  179.868 714.7648 228.7507 
1 1 1    3   20   25 o  615.143  184.276   6.2129   3.8285   4.8843   4.4374   10.082   7.5724  574.400  200.545  787.838  262.270 -213.4378 330.1571 
1 1 1    3   20   27 o  895.139  165.964   13.300   4.4805   10.901   5.2915   19.377   8.4217  800.827  208.852  1055.29  257.208 -254.4613 331.3238 
1 1 1    3   20   29 o  1331.97  138.499   28.699   5.6920   25.838   6.9007   34.789   10.068  1248.66  181.833  1429.95  232.866 -181.2942 295.4488 
1 1 1    3   20   31 o  906.899  156.778   13.661   4.2910   14.649   4.7220   8.9817   10.281  936.489  167.160  787.362  300.255 149.1276 343.6504 
1 1 1    3   20   33 o  750.495  174.873   9.6400   4.0333   12.602   4.3730  -7.2311   10.437  862.697  167.927  536.956  250.848 325.7413 301.8676 
1 1 1    3   20   35 o  1294.33  193.829   29.058   7.6139   30.065   9.8404   27.556   12.019  1273.68  255.624  1166.22  319.622 107.4591 409.2698 
1 1 1    3   20   37 o  561.354  244.472   1.7201   8.0532   1.7201   8.0532   0.0000   0.0000  561.354  244.472  ?   ?  0.000000 244.4721 
1 1 1    3   20   39 o  460.718  217.896  -5.3559   8.3116  -5.3559   8.3116   0.0000   0.0000  460.718  217.896  ?   ?  0.000000 217.8956 
1 1 1    3   20   41 o  476.501  193.104   3.0473   4.4842   3.0473   4.4842   0.0000   0.0000  476.501  193.104  ?   ?  0.000000 193.1036 
1 1 1    3   20   43 o  1406.49  162.461   36.352   7.0233   36.352   7.0233   0.0000   0.0000  1406.49  162.461  ?   ?  0.000000 162.4606 
1 1 1    3   20   45 o  426.839  210.436  -9.5260   10.060  -9.5260   10.060   0.0000   0.0000  426.839  210.436  ?   ?  0.000000 210.4355 
1 1 1    3   20   47 o  502.054  242.650   1.8273   11.594   1.8273   11.594   0.0000   0.0000  502.054  242.650  ?   ?  0.000000 242.6504 
1 1 1    3   21    0 o  1274.54  103.516   25.763   4.0955   27.528   5.0096   22.207   7.1118  1314.37  123.158  1160.87  203.043 153.4979 237.4748 
1 1 1    3   21    2 o  1192.66  107.189   22.601   3.9602   26.957   4.9185   14.570   6.6778  1300.78  122.188  932.018  230.181 368.7660 260.6014 
1 1 1    3   21    4 o  1965.99  100.337   61.032   6.1562   65.513   7.4713   51.558   10.865  2033.86  117.821  1783.83  197.846 250.0317 230.2714 
1 1 1    3   21    6 f  1094.35  147.028   19.317   4.9107   26.316   6.6826   11.099   7.2405  1274.49  171.833  824.821  254.722 449.6683 307.2614 
1 1 1    3   21    8 o  1179.34  111.705   22.129   4.0759   23.941   4.8635   17.854   7.4705  1224.00  128.833  1031.34  236.385 192.6613 269.2134 
1 1 1    3   21   10 o  659.369  164.970   7.1856   3.3977   6.2254   3.9951   9.6952   6.4588  621.722  188.695  773.900  240.840 -152.1773 305.9575 
1 1 1    3   21   12 o  918.260  168.764   13.834   4.6736   11.610   6.2204   16.717   7.0822  834.585  230.444  998.163  231.147 -163.5777 326.3941 
1 1 1    3   21   14 o  1147.75  100.964   20.914   3.5916   21.708   4.9351   20.020   5.2369  1162.63  138.275  1112.32  154.532 50.30139 207.3643 
1 1 1    3   21   16 o  584.763  178.275   5.4963   3.5602  -3.1958   6.0206   10.170   4.4149  443.448  200.975  782.070  183.452 -338.6217 272.1133 
1 1 1    3   21   18 o  1529.31  110.926   37.126   5.2757   31.211   8.7810   40.467   6.5997  1376.14  210.472  1592.23  133.608 -216.0959 249.2978 
1 1 1    3   21   20 o  682.688  206.693   7.6099   4.7978   0.0000   0.0000   7.6099   4.7978  ?   ?   682.688  206.693 0.000000 206.6931 
1 1 1    3   21   22 o  1369.64  110.039   29.846   4.6794   38.751   7.1478   23.167   6.1903  1552.49  148.863  1191.07  170.875 361.4218 226.6237 
1 1 1    3   21   24 o  962.530  140.336   15.047   4.1052   18.055   4.5526   1.9619   9.4960  1055.82  141.246  652.242  274.163 403.5762 308.4088 
1 1 1    3   21   26 o  701.110  189.133   8.2258   4.2477   9.7206   4.8841   3.5843   8.6063  759.935  201.844  655.599  266.841 104.3362 334.5821 
1 1 1    3   21   28 o  1575.76  116.561   39.648   5.7104   42.755   6.5082   29.255   11.903  1633.37  128.283  1283.19  301.387 350.1836 327.5527 
1 1 1    3   21   30 o  1780.80  139.880   51.203   7.7371   63.003   9.7464   31.095   12.723  1967.82  159.550  1304.69  315.004 663.1287 353.1058 
1 1 1    3   21   32 o  619.029  187.577   6.4502   3.9502   5.7442   4.2602   10.779   10.549  594.665  196.660  817.416  305.822 -222.7512 363.5964 
1 1 1    3   21   34 o  1236.89  154.173   25.562   5.8415   25.562   5.8415   0.0000   0.0000  1236.89  154.173  ?   ?  0.000000 154.1729 
1 1 1    3   21   36 o  1164.92  269.831   26.449   9.6492   26.449   9.6492   0.0000   0.0000  1164.92  269.831  ?   ?  0.000000 269.8310 
1 1 1    3   21   38 o  786.646  286.631   12.675   9.1616   12.675   9.1616   0.0000   0.0000  786.646  286.631  ?   ?  0.000000 286.6310 
1 1 1    3   21   40 o  1166.31  297.880   30.609   10.917   30.609   10.917   0.0000   0.0000  1166.31  297.880  ?   ?  0.000000 297.8796 
1 1 1    3   21   42 o  777.909  306.108   15.647   10.939   15.647   10.939   0.0000   0.0000  777.909  306.108  ?   ?  0.000000 306.1076 
1 1 1    3   21   44 o  231.809  117.370 -13.4328   4.2882 -13.4328   4.2882   0.0000   0.0000  231.809  117.370  ?   ?  0.000000 117.3697 
1 1 1    3   21   46 o  513.028  207.664   5.1996   5.1794   5.1996   5.1794   0.0000   0.0000  513.028  207.664  ?   ?  0.000000 207.6637 
1 1 1    3   22    1 o  2650.28  128.517  110.860   10.665  117.670   14.984  103.867   15.184  2715.17  177.220  2546.00  191.868 169.1704 261.1896 
1 1 1    3   22    3 o  578.948  168.642   5.4246   3.2436   1.3102   3.7884   16.723   6.2778  438.340  177.542  1005.50  206.310 -567.1620 272.1858 
1 1 1    3   22    5 o  1572.40  127.409   39.270   6.2191   50.691   8.5112   26.188   9.1096  1782.50  154.004  1255.96  240.391 526.5392 285.4911 
1 1 1    3   22    7 o  837.905  146.165   11.424   3.6954   12.855   4.3022   7.3949   7.2173  887.159  160.791  720.240  255.401 166.9194 301.8001 
1 1 1    3   22    9 o  752.451  159.392   9.3121   3.6386   14.145   4.1760  -5.9238   7.4146  934.253  147.659  464.941  215.224 469.3112 261.0072 
1 1 1    3   22   11 o  399.515  173.861  -0.6542   4.0668   7.4082   5.2516 -12.7322   6.4277  684.349  217.750  349.523  171.499 334.8264 277.1770 
1 1 1    3   22   13 o  1024.77  131.221   16.863   4.1139   18.343   4.8037   12.792   7.9678  1066.09  147.885  881.212  266.265 184.8805 304.5766 
1 1 1    3   22   15 o  720.874  154.930   8.5598   3.3930   11.843   5.9728   6.9954   4.1228  842.358  222.958  654.508  189.981 187.8502 292.9219 
1 1 1    3   22   17 o  699.606  162.247   8.0945   3.4852   4.9106   5.0119   11.076   4.8498  594.170  212.603  815.719  192.904 -221.5491 287.0748 
1 1 1    3   22   19 o  511.977  174.380   3.8826   3.3475   5.1926   4.7369   2.5759   4.7311  596.203  207.257  513.303  201.524 82.90045 289.0804 
1 1 1    3   22   21 o  661.968  215.976   6.8845   5.1446   0.0000   0.0000   6.8845   5.1446  ?   ?   661.968  215.976 0.000000 215.9760 
1 1 1    3   22   23 o  563.646  216.412   3.6161   5.3638   2.2638   6.9219   5.6485   8.4859  581.495  238.292  700.276  271.297 -118.7808 361.0885 
1 1 1    3   22   25 o  987.248  207.917   16.361   6.2243   16.744   8.0368   15.788   9.8390  988.713  257.165  963.487  296.832 25.22534 392.7378 
1 1 1    3   22   27 o  447.802  173.312   2.1567   3.4604   5.4527   3.6829 -22.6781   10.109  581.741  182.000  414.500  205.538 167.2409 274.5359 
1 1 1    3   22   29 o  1046.16  153.812   17.982   4.8882   17.982   4.8882   0.0000   0.0000  1046.16  153.812  ?   ?  0.000000 153.8123 
1 1 1    3   22   31 o  944.303  212.100   15.497   6.1182   15.497   6.1182   0.0000   0.0000  944.303  212.100  ?   ?  0.000000 212.0997 
1 1 1    3   22   33 o  681.451  202.550   8.0786   4.6388   8.0786   4.6388   0.0000   0.0000  681.451  202.550  ?   ?  0.000000 202.5499 
1 1 1    3   22   35 o  799.050  192.691   11.350   4.7652   11.015   5.2115   13.063   11.769  780.956  208.997  836.663  320.724 -55.70673 382.8104 
1 1 1    3   22   37 o  791.358  262.886   12.215   7.6094   3.5711   9.4950   27.733   12.722  623.334  268.450  1112.23  336.544 -488.8920 430.4959 
1 1 1    3   22   39 o  1098.12  299.229   26.409   10.569   26.409   10.569   0.0000   0.0000  1098.12  299.229  ?   ?  0.000000 299.2289 
1 1 1    3   22   41 o  548.568  253.572  -0.7685   10.238  -0.7685   10.238   0.0000   0.0000  548.568  253.572  ?   ?  0.000000 253.5715 
1 1 1    3   22   43 o  497.701  238.947  -5.3185   10.798  -5.3185   10.798   0.0000   0.0000  497.701  238.947  ?   ?  0.000000 238.9468 
1 1 1    3   23    0 o  487.041  173.004   3.2545   3.3130   2.7944   3.8834   4.4849   6.3502  490.464  185.133  622.109  236.277 -131.6448 300.1684 
1 1 1    3   23    2 f  1075.93  124.349   18.485   4.1122   19.822   4.8224   14.921   7.8721  1111.58  141.778  947.010  258.319 164.5699 294.6687 
1 1 1    3   23    4 o  552.428  192.551   4.3527   4.0898   4.8215   5.3336   3.6837   6.3718  602.513  218.827  601.956  234.562 0.5577393 320.7874 
1 1 1    3   23    6 o  616.276  179.868   6.1478   3.6865   7.9878   4.3191   1.2094   7.0759  697.592  191.777  569.619  237.859 127.9728 305.5415 
1 1 1    3   23    8 o  809.705  156.222   10.724   3.8173   14.852   4.4578  -0.6280   7.3918  957.062  153.972  545.952  235.986 411.1097 281.7747 
1 1 1    3   23   10 o  670.044  257.998   4.9953   7.6379   0.0000   0.0000   4.9953   7.6379  ?   ?   670.044  257.998 0.000000 257.9980 
1 1 1    3   23   12 o  420.295  178.758   0.0859   4.1154  -1.3895   5.0732   2.9252   7.0376  433.858  191.329  604.252  242.949 -170.3947 309.2430 
1 1 1    3   23   14 o  531.451  198.738   3.4430   4.4539   3.4133   5.6188   3.4933   7.3055  569.433  220.717  625.025  248.813 -55.59222 332.6017 
1 1 1    3   23   16 o  596.672  182.314   5.6982   3.7204   5.1305   4.2123   7.7123   7.9337  583.238  195.628  742.089  267.281 -158.8515 331.2242 
1 1 1    3   23   18 o  1418.36  141.267   32.161   6.1905   33.322   7.8039   30.192   10.167  1435.68  177.365  1344.98  250.633 90.70447 307.0430 
1 1 1    3   23   20 o  563.948  184.969   4.8959   3.7716   5.5463   4.1501   1.8100   9.0396  597.067  193.941  642.505  268.618 -45.43787 331.3134 
1 1 1    3   23   22 o  475.355  191.576   1.7235   4.3873   3.0174   4.9271  -3.2296   9.6401  533.027  206.663  581.082  259.549 -48.05475 331.7756 
1 1 1    3   23   24 o  374.861  170.153  -2.4209   4.3362  -2.4209   4.3362   0.0000   0.0000  374.861  170.153  ?   ?  0.000000 170.1531 
1 1 1    3   23   26 f  465.404  214.878  -5.2103   7.3199  -5.2103   7.3199   0.0000   0.0000  465.404  214.878  ?   ?  0.000000 214.8776 
1 1 1    3   23   28 o  568.873  249.595  -0.8609   8.5340  -0.8609   8.5340   0.0000   0.0000  568.873  249.595  ?   ?  0.000000 249.5946 
1 1 1    3   23   30 o  421.168  196.683  -5.2954   6.4069  -6.0007   7.8401  -3.8773   11.116  468.332  218.327  598.536  271.971 -130.2038 348.7619 
1 1 1    3   23   32 o  603.532  201.545   5.9711   4.4708   5.6760   4.8756   7.5299   11.206  599.607  210.166  755.898  305.636 -156.2903 370.9218 
1 1 1    3   23   34 o  339.061  155.887  -2.3827   3.7957  -3.2209   4.0127   4.7431   11.700  335.607  156.366  705.361  300.737 -369.7541 338.9588 
1 1 1    3   23   36 o  1010.01  183.209   17.868   5.5807   17.257   6.1462   20.734   13.320  978.454  207.068  976.323  346.881 2.130432 403.9845 
1 1 1    3   23   38 o  647.116  231.133   7.4302   5.9211   7.4302   5.9211   0.0000   0.0000  647.116  231.133  ?   ?  0.000000 231.1327 
1 1 1    3   23   40 o  801.964  311.111   14.262   11.171   14.262   11.171   0.0000   0.0000  801.964  311.111  ?   ?  0.000000 311.1112 
1 1 1    3   23   42 o  663.411  288.886   7.6729   11.242   7.6729   11.242   0.0000   0.0000  663.411  288.886  ?   ?  0.000000 288.8864 
1 1 1    3   24    1 o  548.462  181.255   4.5505   3.6191   5.6263   4.1913   1.3974   7.1755  603.264  194.804  577.956  240.280 25.30786 309.3269 
1 1 1    3   24    3 o  1042.36  131.880   17.396   4.2081   16.904   4.9805   18.624   7.8673  1021.78  160.996  1057.95  242.652 -36.17346 291.2040 
1 1 1    3   24    5 o  562.775  209.702   3.8821   4.9502   6.1766   6.4702   0.6433   7.6872  672.023  241.444  581.065  245.586 90.95856 344.3950 
1 1 1    3   24    7 o  1086.87  175.801   19.189   5.7787   13.510   7.6190   26.881   8.8667  904.633  256.939  1278.08  230.016 -373.4521 344.8554 
1 1 1    3   24    9 o  674.867  256.776   5.2883   7.5084   0.0000   0.0000   5.2883   7.5084  ?   ?   674.867  256.776 0.000000 256.7762 
1 1 1    3   24   11 o  787.644  172.662   10.215   4.1409   9.2973   4.7142   13.313   8.6638  750.746  197.780  905.076  278.491 -154.3303 341.5763 
1 1 1    3   24   13 o  924.159  155.926   13.878   4.3516   12.156   5.0410   18.914   8.6202  857.515  192.465  1062.37  261.012 -204.8518 324.2990 
1 1 1    3   24   15 o  497.334  185.083   3.0333   3.8537   5.7664   4.2645  -9.1378   8.9992  609.195  196.475  489.538  230.046 119.6574 302.5279 
1 1 1    3   24   17 o  696.547  187.893   7.9920   4.1923   10.172   4.7135  -0.2625   9.1725  783.421  193.327  613.615  264.059 169.8060 327.2646 
1 1 1    3   24   19 o  711.162  230.059   7.9587   5.8436   7.9587   5.8436   0.0000   0.0000  711.162  230.059  ?   ?  0.000000 230.0588 
1 1 1    3   24   21 o  258.451  126.581  -6.7126   3.4524  -6.7126   3.4524   0.0000   0.0000  258.451  126.581  ?   ?  0.000000 126.5808 
1 1 1    3   24   23 o  421.011  179.636   0.0612   4.1801   0.0612   4.1801   0.0000   0.0000  421.011  179.636  ?   ?  0.000000 179.6360 
1 1 1    3   24   25 o  855.026  172.425   12.165   4.4570   11.974   4.8660   13.160   11.106  844.519  188.759  905.158  317.202 -60.63898 369.1165 
1 1 1    3   24   27 o  1093.50  148.648   19.535   4.9578   19.834   5.5081   18.258   11.379  1096.73  165.547  1013.28  320.334 83.44843 360.5818 
1 1 1    3   24   29 o  629.442  194.246   6.5887   4.2114   5.6326   4.5607   12.122   10.972  598.375  203.544  860.292  313.645 -261.9169 373.9030 
1 1 1    3   24   31 o  751.331  268.808   9.2359   8.0119   5.7049   10.194   14.942   12.959  711.610  290.112  920.487  340.024 -208.8771 446.9687 
1 1 1    3   24   33 o  345.370  171.096 -14.8450   6.9442 -19.1610   8.6085  -6.8045   11.750  376.652  187.258  572.424  266.995 -195.7721 326.1161 
1 1 1    3   24   35 o  557.598  208.887   4.5362   4.9246   3.9622   5.3079   8.0850   13.198  550.136  214.166  772.887  323.960 -222.7513 388.3520 
1 1 1    3   24   37 o  624.608  224.041   6.5622   5.5689   8.4363   6.1373  -2.1731   13.250  686.674  236.070  632.038  290.834 54.63531 374.5841 
1 1 1    3   24   39 o  562.752  223.178   4.4759   5.8572   4.4759   5.8572   0.0000   0.0000  562.752  223.178  ?   ?  0.000000 223.1778 
1 1 1    3   24   41 o  486.021  235.538 -10.4490   11.103 -10.4490   11.103   0.0000   0.0000  486.021  235.538  ?   ?  0.000000 235.5379 
1 1 1    3   25    0 o  1050.89  243.505   18.333   7.8559   18.333   7.8559   0.0000   0.0000  1050.89  243.505  ?   ?  0.000000 243.5048 
1 1 1    3   25    2 o  402.423  179.951  -1.9751   4.6480  -3.3021   6.1601  -0.2212   7.0824  450.991  203.941  543.457  232.902 -92.46631 309.5723 
1 1 1    3   25    4 o  299.081  146.389  -8.8972   4.5963 -13.2708   5.8477  -1.8275   7.4349  319.992  158.253  528.508  232.399 -208.5166 281.1643 
1 1 1    3   25    6 o  1210.16  132.304   23.342   4.9317   25.451   5.7489   17.465   9.5971  1261.54  148.369  1026.11  287.300 235.4316 323.3493 
1 1 1    3   25    8 o  710.874  219.316   8.0478   5.3690   12.814   6.7024  -0.4874   8.9696  880.723  237.574  606.181  260.990 274.5420 352.9263 
1 1 1    3   25   10 f  910.417  163.437   13.497   4.4879   15.702   5.1733   6.7888   9.0226  981.557  174.725  748.571  282.280 232.9863 331.9804 
1 1 1    3   25   12 o  1037.20  156.416   17.377   4.9221   23.463   5.6310  -2.3343   10.134  1209.35  152.063  615.918  271.066 593.4321 310.8055 
1 1 1    3   25   14 o  1026.05  170.221   17.116   5.2772   17.116   5.2772   0.0000   0.0000  1026.05  170.221  ?   ?  0.000000 170.2211 
1 1 1    3   25   16 o  733.832  210.391   8.8163   5.0844   8.8163   5.0844   0.0000   0.0000  733.832  210.391  ?   ?  0.000000 210.3905 
1 1 1    3   25   18 o  1001.40  172.676   16.387   5.2189   16.387   5.2189   0.0000   0.0000  1001.40  172.676  ?   ?  0.000000 172.6756 
1 1 1    3   25   20 o  340.837  155.786  -2.4386   3.7156  -1.3844   4.0518  -8.0113   9.3161  381.552  169.485  510.940  238.124 -129.3875 292.2808 
1 1 1    3   25   22 o  743.312  193.721   9.2297   4.5546   13.253   4.9616 -12.3187   11.483  892.927  183.587  538.847  255.221 354.0800 314.3916 
1 1 1    3   25   24 o  566.433  196.020   4.7740   4.2349   5.6116   4.6160   0.3203   10.644  604.784  204.778  656.592  283.494 -51.80859 349.7184 
1 1 1    3   25   26 o  944.532  200.048   15.094   5.7324   15.186   6.4401   14.744   12.578  941.413  222.070  945.320  336.950 -3.907410 403.5476 
1 1 1    3   25   28 f  766.374  200.289   10.035   4.8598   8.9157   5.3369   15.469   11.759  725.605  217.617  944.479  326.651 -218.8737 392.5024 
1 1 1    3   25   30 o  1007.97  170.051   17.014   5.1762   19.431   5.6519   4.4471   12.889  1077.39  173.420  750.476  317.642 326.9136 361.8993 
1 1 1    3   25   32 o  776.646  196.106   10.477   4.7700   7.6390   5.1440   27.888   12.742  671.723  215.696  1197.65  329.462 -525.9221 393.7895 
1 1 1    3   25   34 o  399.021  178.546  -1.3797   4.5836  -1.3797   4.5836   0.0000   0.0000  399.021  178.546  ?   ?  0.000000 178.5457 
1 1 1    3   25   36 o  490.130  228.969  -5.5706   8.6952  -9.2319   10.881   0.8978   14.463  517.558  246.100  698.722  314.545 -181.1636 399.3790 
1 1 1    3   26    1 f  523.857  224.110  -0.1602   6.5373  -0.1602   6.5373   0.0000   0.0000  523.857  224.110  ?   ?  0.000000 224.1104 
1 1 1    3   26    3 o  376.344  167.729  -1.5851   4.0021  -6.3774   4.5638   14.367   8.3265  326.975  156.547  936.162  269.485 -609.1865 311.6554 
1 1 1    3   26    5 o  677.754  199.073   7.4095   4.5031   11.174   5.1281  -5.2702   9.4114  823.213  200.748  552.653  250.786 270.5594 321.2369 
1 1 1    3   26    7 o  726.982  196.157   8.6645   4.5685   7.1893   5.1946   13.701   9.5986  678.807  216.626  927.505  294.309 -248.6971 365.4379 
1 1 1    3   26    9 o  854.195  203.251   12.051   5.3575   12.051   5.3575   0.0000   0.0000  854.195  203.251  ?   ?  0.000000 203.2513 
1 1 1    3   26   11 o  907.513  203.860   13.607   5.6515   13.607   5.6515   0.0000   0.0000  907.513  203.860  ?   ?  0.000000 203.8597 
1 1 1    3   26   13 o  843.948  198.412   11.785   5.1549   11.785   5.1549   0.0000   0.0000  843.948  198.412  ?   ?  0.000000 198.4116 
1 1 1    3   26   15 o  1037.18  156.767   17.413   4.9324   15.888   5.5067   23.606   11.094  983.651  185.589  1179.92  299.689 -196.2697 352.5009 
1 1 1    3   26   17 o  888.562  176.460   13.004   4.7365   11.320   5.2438   20.464   11.039  824.644  204.161  1097.34  308.440 -272.6969 369.8880 
1 1 1    3   26   19 o  543.902  202.000   3.7426   4.5857   2.6883   5.1087   8.1152   10.404  530.326  209.027  797.880  302.579 -267.5538 367.7580 
1 1 1    3   26   21 o  683.127  205.276   7.6397   4.7454   6.3415   5.1713   14.561   11.940  642.940  216.751  953.205  329.186 -310.2654 394.1378 
1 1 1    3   26   23 o  357.777  165.211  -3.3086   4.3296  -1.5435   4.7029 -13.1225   11.089  409.877  182.306  517.033  246.573 -107.1560 306.6492 
1 1 1    3   26   25 o  556.089  237.231   0.6223   7.2880   1.4335   9.2545  -0.7023   11.826  632.302  268.473  671.639  294.268 -39.33630 398.3361 
1 1 1    3   26   27 o  761.540  204.741   9.8642   4.9877   7.2499   5.4685   22.800   12.165  671.718  222.843  1119.48  326.735 -447.7601 395.4929 
1 1 1    3   26   29 o  721.154  311.520   1.9341   12.865   0.0000   0.0000   1.9341   12.865  ?   ?   721.154  311.520 0.000000 311.5203 
1 1 1    3   26   31 f  434.174  184.782   0.4202   4.4026  -1.6092   4.6556   17.590   13.542  401.490  179.776  982.852  349.700 -581.3613 393.2037 
1 1 1    3   26   33 o  669.177  213.323   7.6036   5.0384   7.3825   5.3897   9.1348   14.187  664.803  221.265  827.899  340.423 -163.0957 406.0120 
1 1 1    3   26   35 o  683.097  218.328   8.0979   5.2749   8.4956   5.6156   5.1151   15.379  698.368  225.484  775.044  337.680 -76.67603 406.0427 
1 1 1    3   27    0 o  700.909  204.532   7.9428   4.7672   3.8270   5.5383   19.714   9.3661  581.018  220.660  1088.18  274.814 -507.1566 352.4393 
1 1 1    3   27    2 o  977.528  260.840   15.826   8.1322   15.826   8.1322   0.0000   0.0000  977.528  260.840  ?   ?  0.000000 260.8395 
1 1 1    3   27    4 o  423.737  198.195  -6.3791   6.5477  -6.3791   6.5477   0.0000   0.0000  423.737  198.195  ?   ?  0.000000 198.1948 
1 1 1    3   27    6 o  886.991  264.170   12.805   7.8848   12.805   7.8848   0.0000   0.0000  886.991  264.170  ?   ?  0.000000 264.1704 
1 1 1    3   27    8 o  594.010  220.806   4.3679   5.4817   4.3679   5.4817   0.0000   0.0000  594.010  220.806  ?   ?  0.000000 220.8058 
1 1 1    3   27   10 o  874.237  196.165   12.626   5.2379   19.424   6.0676  -7.2547   10.377  1091.82  184.024  560.751  257.788 531.0709 316.7331 
1 1 1    3   27   12 o  763.766  206.522   9.6234   5.0576   10.799   5.6740   5.0768   11.158  808.168  218.835  763.549  306.296 44.61841 376.4379 
1 1 1    3   27   14 o  665.509  208.657   7.0387   4.8378   2.2243   5.3723   27.688   11.126  529.386  212.472  1280.00  284.924 -750.6106 355.4235 
1 1 1    3   27   16 o  438.448  189.772  -0.5111   4.7930  -1.1244   5.3672   1.9040   10.651  452.117  198.164  691.892  290.570 -239.7747 351.7098 
1 1 1    3   27   18 o  766.849  204.864   9.7884   5.0126   9.2682   5.6135   11.835   11.136  750.966  222.724  889.750  317.059 -138.7835 387.4688 
1 1 1    3   27   20 o  1131.73  161.824   20.827   5.5713   23.258   6.1585   9.8730   13.073  1195.18  169.296  877.941  337.676 317.2366 377.7378 
1 1 1    3   27   22 o  2236.38  157.362   80.287   10.949   69.218   14.792   93.703   16.285  2044.41  235.362  2389.78  220.099 -345.3635 322.2406 
1 1 1    3   27   24 o  720.494  232.289   8.4119   5.9613   6.1341   6.8139   15.844   12.308  668.357  246.626  975.683  334.362 -307.3261 415.4788 
1 1 1    3   27   26 o  590.107  212.842   4.9469   5.0332   0.8239   5.3984   32.368   13.922  490.137  206.405  1335.98  333.758 -845.8466 392.4251 
1 1 1    3   27   28 o  892.459  204.613   13.583   5.5959   17.397   6.1049  -6.4742   13.998  1014.28  199.330  655.867  300.738 358.4081 360.7986 
1 1 1    3   27   30 o  870.382  206.299   13.026   5.5366   5.6418   5.9813   57.220   14.633  628.268  231.191  1810.76  266.007 -1182.492 352.4331 
1 1 1    3   27   32 o  1105.12  209.223   21.018   6.9749   13.986   7.7797   49.827   15.746  884.918  262.143  1636.81  318.691 -751.8961 412.6530 
1 1 1    3   27   34 o  849.804  240.316   12.954   6.6801   18.912   7.3365 -15.9441   16.157  1029.89  232.952  608.742  292.268 421.1468 373.7474 
1 1 1    3   28    1 o  516.225  229.787  -2.6931   7.4865  -2.6931   7.4865   0.0000   0.0000  516.225  229.787  ?   ?  0.000000 229.7872 
1 1 1    3   28    3 o  845.819  221.147   11.823   5.9231   11.823   5.9231   0.0000   0.0000  845.819  221.147  ?   ?  0.000000 221.1474 
1 1 1    3   28    5 o  507.787  204.096   1.9478   4.9649   4.7005   5.7234  -6.4214   9.9797  610.587  225.888  557.258  254.934 53.32843 340.6123 
1 1 1    3   28    7 o  523.810  222.873   0.1730   6.4018  -8.8136   8.2498   13.776   10.150  465.105  219.089  932.390  303.320 -467.2846 374.1701 
1 1 1    3   28    9 f  575.427  234.467   2.1704   6.6538   3.4477   8.6388   0.3076   10.433  665.817  268.654  664.006  283.567 1.811462 390.6216 
1 1 1    3   28   11 f  615.719  243.952   3.4685   6.9923   8.1805   9.1458  -3.1605   10.848  780.221  286.065  625.792  277.678 154.4291 398.6708 
1 1 1    3   28   13 o  415.789  184.762  -1.6749   4.8196   1.7240   5.3879 -15.2841   10.781  517.299  210.908  494.820  237.876 22.47867 317.9104 
1 1 1    3   28   15 o  394.280  181.940  -4.0324   5.2373  -4.0324   5.2373   0.0000   0.0000  394.280  181.940  ?   ?  0.000000 181.9401 
1 1 1    3   28   17 o  800.555  209.637   10.679   5.3172   9.5737   5.8169   16.298   13.112  763.706  226.775  1010.40  345.114 -246.6910 412.9539 
1 1 1    3   28   19 o  511.459  206.993   1.9385   5.1451   1.3166   5.5906   5.3807   13.153  513.432  212.658  806.216  329.208 -292.7841 391.9207 
1 1 1    3   28   21 o  794.798  212.855   10.583   5.4033   7.1667   5.9702   26.051   12.704  684.476  232.883  1219.77  326.255 -535.2983 400.8445 
1 1 1    3   28   23 o  410.566  184.375  -2.1101   4.9348   0.1566   5.3601 -14.7181   12.641  476.022  203.270  552.867  263.552 -76.84570 332.8337 
1 1 1    3   28   25 o  409.181  185.022  -2.4997   5.0693   1.0641   5.4758 -23.8648   13.407  500.024  209.060  509.056  249.346 -9.031677 325.3914 
1 1 1    3   28   27 o  436.822  199.333  -3.4629   6.0522   1.3594   6.7200 -24.1714   13.926  550.563  230.988  519.546  254.407 31.01764 343.6253 
1 1 1    3   28   29 o  1105.52  374.373   22.334   15.428   0.0000   0.0000   22.334   15.428  ?   ?   1105.52  374.373 0.000000 374.3729 
1 1 1    3   28   31 o  337.768  164.470  -9.4333   5.5878  -7.1341   5.9967 -24.5868   15.395  381.449  181.750  548.728  268.441 -167.2786 324.1814 
1 1 1    3   29    0 o  1056.92  228.835   18.507   7.3538   18.580   9.3171   18.385   11.976  1054.66  278.142  1059.81  327.649 -5.155884 429.7868 
1 1 1    3   29    2 f  1093.06  173.894   19.379   5.7524   19.996   6.6762   17.601   11.334  1105.11  200.309  1036.72  318.447 68.38879 376.2074 
1 1 1    3   29    4 o  485.350  224.643  -6.5117   8.0740  -6.5117   8.0740   0.0000   0.0000  485.350  224.643  ?   ?  0.000000 224.6435 
1 1 1    3   29    6 o  668.398  223.495   6.7584   5.4977   8.3476   6.3348   1.9092   11.066  733.711  239.675  708.545  296.794 25.16547 381.4847 
1 1 1    3   29    8 o  349.278  166.336  -6.4161   5.0092  -5.4344   5.6920  -9.7871   10.548  396.301  185.176  538.727  251.844 -142.4264 312.5951 
1 1 1    3   29   10 f  512.172  217.179   0.3310   6.0433   0.3310   6.0433   0.0000   0.0000  512.172  217.179  ?   ?  0.000000 217.1788 
1 1 1    3   29   12 o  741.544  263.067   7.8450   7.6579   4.7033   9.6869   13.080   12.505  718.358  286.339  943.419  336.002 -225.0607 441.4607 
1 1 1    3   29   14 o  653.272  253.618   4.5642   7.4279   5.1015   9.1755   3.5425   12.653  712.044  280.296  772.275  319.901 -60.23077 425.3266 
1 1 1    3   29   16 o  1039.83  263.328   18.255   8.5828   9.5822   10.982   31.866   13.758  842.920  312.688  1360.47  327.006 -517.5533 452.4450 
1 1 1    3   29   18 o  545.894  213.354   3.0113   5.2837   6.2348   5.8070 -12.4913   12.735  654.830  229.373  579.640  272.788 75.18976 356.4059 
1 1 1    3   29   20 o  460.177  199.886  -0.6550   5.3554  -0.8749   5.8909   0.3923   12.856  478.934  208.820  725.405  312.391 -246.4707 375.7574 
1 1 1    3   29   22 o  703.986  241.281   7.5495   6.4091   9.4175   7.2437   0.8156   13.753  771.529  256.499  750.922  323.243 20.60669 412.6470 
1 1 1    3   29   24 o  637.749  240.895   5.1116   6.5780   11.331   7.4150 -17.8647   14.252  826.997  258.167  575.398  275.789 251.5981 377.7696 
1 1 1    3   29   26 o  632.925  241.473   4.9251   6.6515   0.6535   7.4651   21.379   14.651  564.277  240.395  1104.66  364.672 -540.3829 436.7782 
1 1 1    3   29   28 o  436.705  195.859  -2.1395   5.5495  -5.3176   5.9854   17.325   14.813  406.615  189.960  1017.31  365.341 -610.6932 411.7746 
1 1 1    3   30    1 o  424.600  191.706  -2.8191   5.4186  -4.5870   6.1233   3.5628   11.634  429.068  197.538  752.256  308.677 -323.1873 366.4729 
1 1 1    3   30    3 o  438.777  195.804  -2.1665   5.4727  -3.6092   6.3528   1.9854   10.777  454.235  206.094  702.557  293.474 -248.3213 358.6107 
1 1 1    3   30    5 o  845.749  224.560   11.826   6.0466   15.126   6.8604   0.3381   12.799  954.163  231.892  733.484  313.683 220.6788 390.0913 
1 1 1    3   30    7 f  389.962  182.004  -5.1536   5.4736  -2.3105   6.0630 -17.6799   12.726  462.766  206.331  540.893  259.611 -78.12695 331.6179 
1 1 1    3   30    9 o  486.433  208.543  -0.1982   5.6823   3.2502   6.3125 -14.9275   13.046  589.444  232.345  572.498  271.416 16.94586 357.2831 
1 1 1    3   30   11 o  390.850  182.701  -5.3266   5.5495  -5.8514   6.2215  -3.2839   12.275  415.075  193.831  668.393  296.040 -253.3183 353.8503 
1 1 1    3   30   13 f  588.298  222.384   4.0856   5.6086  -5.3431   6.2651   42.138   12.586  423.752  196.749  1596.02  260.858 -1172.272 326.7371 
1 1 1    3   30   15 o  489.272  207.913   0.2244   5.5584  -4.8997   6.1459   23.248   13.028  424.408  196.281  1169.43  337.210 -745.0216 390.1752 
1 1 1    3   30   17 o  962.570  352.913   13.202   13.920   0.0000   0.0000   13.202   13.920  ?   ?   962.570  352.913 0.000000 352.9131 
1 1 1    3   30   19 o  594.586  279.964 -13.2546   13.445   0.0000   0.0000 -13.2546   13.445  ?   ?   594.586  279.964 0.000000 279.9636 
1 1 1    3   30   21 o  1363.57  355.944   32.691   15.361   0.0000   0.0000   32.691   15.361  ?   ?   1363.57  355.944 0.000000 355.9444 
1 1 1    3   30   23 o  677.721  232.889   6.9385   5.9727   0.7054   6.5278   38.985   14.801  535.028  226.229  1495.62  325.314 -960.5930 396.2433 
1 1 1    3   31    0 o  638.101  290.404  -7.2693   12.737   0.0000   0.0000  -7.2693   12.737  ?   ?   638.101  290.404 0.000000 290.4041 
1 1 1    3   31    2 o  696.677  235.799   7.2404   6.1204   6.4750   7.0679   9.5348   12.237  695.244  251.997  874.292  328.938 -179.0479 414.3702 
1 1 1    3   31    4 f  655.057  235.254   5.8388   6.1421   9.7607   6.9054  -9.0176   13.440  786.205  249.645  640.625  294.091 145.5800 385.7616 
1 1 1    3   31    6 o  685.234  240.590   6.6835   6.3907   6.5969   7.1907   7.0090   13.941  701.030  254.163  863.711  343.752 -162.6808 427.5095 
1 1 1    3   31    8 o  574.477  227.694   2.9205   6.0934   3.3033   6.8710   1.5110   13.186  609.481  241.717  760.641  321.573 -151.1603 402.2892 
1 1 1    3   31   10 o  1013.90  211.637   16.977   6.5019   11.440   7.1898   41.831   15.232  839.312  252.780  1576.13  319.576 -736.8224 407.4636 
1 1 1    3   31   12 o  800.451  267.992   9.8230   7.9048   17.302   9.3319  -9.1762   14.873  1018.11  282.684  678.299  310.644 339.8082 420.0117 
1 1 1    3   31   14 o  655.741  252.011   4.7920   7.2779   4.8738   8.2874   4.5161   15.216  685.396  267.389  849.183  351.204 -163.7864 441.4082 
1 1 1    3   31   16 o  714.756  259.564   6.9507   7.5039   5.7900   8.7548   10.164   14.567  716.732  276.150  922.165  355.960 -205.4331 450.5183 
1 1 1    3   31   18 o  667.460  235.660   6.3682   6.1383   3.3013   6.7679   20.590   14.574  603.558  239.730  1116.25  363.481 -512.6946 435.4181 
1 1 1    3   32    1 o  432.021  206.107 -10.1607   7.7632 -10.5771   9.7344  -9.4330   12.867  503.653  237.471  619.912  285.750 -116.2588 371.5452 
1 1 1    3   32    3 o  469.664  210.231  -2.7146   6.3609  -3.4151   7.1345   0.0001   14.045  491.121  221.020  764.291  327.770 -273.1695 395.3263 
1 1 1    3   32    5 o  765.478  247.114   9.1340   6.7448   7.7629   7.5511   14.545   15.001  740.632  261.389  1015.96  367.292 -275.3235 450.8084 
1 1 1    3   32    7 o  501.790  218.035  -0.9349   6.3764  -3.5212   7.2369   8.0417   13.483  493.475  222.291  872.394  340.855 -378.9193 406.9343 
1 1 1    3   32    9 o  658.799  259.493   4.1123   7.8685   3.4773   9.2569   5.7657   14.937  685.983  277.640  866.024  351.911 -180.0412 448.2468 
1 1 1    3   32   11 o  740.092  270.310   7.2822   8.1549   14.593   9.8670  -8.4753   14.486  950.921  297.964  675.771  308.378 275.1501 428.8116 
1 1 1    3   32   13 o  801.760  240.318   10.431   6.5098   9.3705   7.1908   15.251   15.325  777.431  255.423  1028.68  371.342 -251.2521 450.7061 
1 1 1    4    0    6 o   28.670   20.630  -0.1601   0.0910  -0.1601   0.0910  -0.1601   0.0910   28.670   20.630   28.670   20.630 -0.000000 0.000000 
1 1 1    4    0    8 o  4892.43  250.979  380.299   38.217  380.299   38.217  380.299   38.217  4892.43  250.979  4892.43  250.979 -0.000000 0.000000 
1 1 1    4    0   10 o  5139.49  261.316  420.546   41.806  420.546   41.806  420.546   41.806  5139.49  261.316  5139.49  261.316 -0.000000 0.000000 
1 1 1    4    0   12 o  346.381  147.624   2.6753   1.6297   2.6753   1.6297   2.6753   1.6297  346.381  147.624  346.381  147.624 -0.000000 0.000000 
1 1 1    4    0   14 o  3975.02  216.659  252.321   26.784  252.321   26.784  252.321   26.784  3975.02  216.659  3975.02  216.659 -0.000000 0.000000 
1 1 1    4    0   16 o  4364.26  232.415  305.473   31.555  305.473   31.555  305.473   31.555  4364.26  232.415  4364.26  232.415 -0.000000 0.000000 
1 1 1    4    0   18 o  2473.75  113.764   96.810   8.7696   96.810   8.7696   96.810   8.7696  2473.75  113.764  2473.75  113.764 -0.000000 0.000000 
1 1 1    4    0   20 o  2292.29  108.468   83.157   7.7458   83.157   7.7458   83.157   7.7458  2292.29  108.468  2292.29  108.468 -0.000000 0.000000 
1 1 1    4    0   22 o  2705.60  173.035  117.416   14.522  117.416   14.522  117.416   14.522  2705.60  173.035  2705.60  173.035 -0.000000 0.000000 
1 1 1    4    0   24 o  1321.84   96.357   27.926   3.9395   27.926   3.9395   27.926   3.9395  1321.84   96.357  1321.84   96.357 -0.000000 0.000000 
1 1 1    4    0   26 o  715.002  168.918   9.3447   3.2841   9.3447   3.2841   9.3447   3.2841  715.002  168.918  715.002  168.918 -0.000000 0.000000 
1 1 1    4    0   28 f  342.750  140.132   2.5977   1.4814   2.5977   1.4814   2.5977   1.4814  342.750  140.132  342.750  140.132 -0.000000 0.000000 
1 1 1    4    0   30 o  372.680  178.701   3.2721   2.4034   3.2721   2.4034   3.2721   2.4034  372.680  178.701  372.680  178.701 -0.000000 0.000000 
1 1 1    4    0   38 o  1853.26  156.528   56.098   8.9343   56.098   8.9343   56.098   8.9343  1853.26  156.528  1853.26  156.528 -0.000000 0.000000 
1 1 1    4    0   40 o  2588.17  174.671  109.016   14.008  109.016   14.008  109.016   14.008  2588.17  174.671  2588.17  174.671 -0.000000 0.000000 
1 1 1    4    0   42 o  340.961  192.690   2.5275   3.1569   2.5275   3.1569   2.5275   3.1569  340.961  192.690  340.961  192.690 -0.000000 0.000000 
1 1 1    4    0   44 o  415.242  217.348   4.1104   3.7161   4.1104   3.7161   4.1104   3.7161  415.242  217.348  415.242  217.348 -0.000000 0.000000 
1 1 1    4    0   46 o  2315.36  170.762   87.456   12.225   87.456   12.225   87.456   12.225  2315.36  170.762  2315.36  170.762 -0.000000 0.000000 
1 1 1    4    0   48 o  941.327  212.558   16.301   5.4653   16.301   5.4653   16.301   5.4653  941.327  212.558  941.327  212.558 -0.000000 0.000000 
1 1 1    4    0   50 o  2145.66  171.924   76.215   11.380   76.215   11.380   76.215   11.380  2145.66  171.924  2145.66  171.924 -0.000000 0.000000 
1 1 1    4    0   52 o  1824.11  171.437   55.974   9.5933   55.974   9.5933   55.974   9.5933  1824.11  171.437  1824.11  171.437 -0.000000 0.000000 
1 1 1    4    0   54 o  3315.05  211.883  189.300   21.788  189.300   21.788  189.300   21.788  3315.05  211.883  3315.05  211.883 -0.000000 0.000000 
1 1 1    4    0   56 o  1172.75  226.202   25.756   7.4154   25.756   7.4154   25.756   7.4154  1172.75  226.202  1172.75  226.202 -0.000000 0.000000 
1 1 1    4    0   58 o  3764.16  237.948  254.991   27.789  254.991   27.789  254.991   27.789  3764.16  237.948  3764.16  237.948 -0.000000 0.000000 
1 1 1    4    1    7 o  3820.87  118.161  229.268   14.137  222.576   17.314  242.654   24.487  3761.55  146.995  3914.60  200.443 -153.0586 248.5656 
1 1 1    4    1    9 o  2115.43   87.368   70.203   5.7872   77.583   10.021   66.511   7.0887  2215.26  145.278  2054.86  110.577 160.3960 182.5732 
1 1 1    4    1   11 o  1754.91   70.542   48.301   3.8763   46.716   5.4821   49.885   5.4818  1721.24  102.174  1779.26   98.783 -58.02209 142.1181 
1 1 1    4    1   13 o  1121.87  133.083   20.146   4.5838   0.0000   0.0000   20.146   4.5838  ?   ?   1121.87  133.083 0.000000 133.0826 
1 1 1    4    1   15 o  1098.09   91.133   19.109   3.1052   0.0000   0.0000   19.109   3.1052  ?   ?   1098.09   91.133 0.000000 91.13287 
1 1 1    4    1   17 o  3948.17  120.671  246.854   14.918  232.778   18.263  275.081   25.861  3820.95  152.646  4126.96  200.127 -306.0110 251.6981 
1 1 1    4    1   19 o  914.497   63.053   13.201   1.7945   13.237   2.5249   13.165   2.5509  911.982   89.573  909.240   90.814 2.741516 127.5559 
1 1 1    4    1   21 o  804.333   77.027   10.285   1.9163   9.3086   3.2986   10.782   2.3542  750.509  145.619  820.913   93.242 -70.40424 172.9133 
1 1 1    4    1   23 o  1238.53   78.863   24.327   3.0425   23.046   5.2562   24.972   3.7311  1187.64  144.307  1251.13   95.972 -63.49170 173.3070 
1 1 1    4    1   25 o  817.614   76.793   10.682   1.9430   8.5786   3.3187   11.779   2.3967  710.815  153.589  855.623   90.846 -144.8077 178.4445 
1 1 1    4    1   27 o  814.863   98.312   10.806   2.4578   9.4180   3.4219   12.286   3.5324  741.028  152.556  855.710  136.416 -114.6822 204.6528 
1 1 1    4    1   29 o  1733.54  104.850   48.825   5.6646   0.0000   0.0000   48.825   5.6646  ?   ?   1733.54  104.850 0.000000 104.8498 
1 1 1    4    1   33 o  1102.42  102.448   20.113   3.4960   21.069   5.0170   19.211   4.8742  1096.39  150.079  1043.63  153.765 52.75818 214.8656 
1 1 1    4    1   35 o  1416.12  107.248   33.564   4.7203   27.495   6.7682   39.312   6.5867  1208.93  184.651  1497.86  142.139 -288.9247 233.0223 
1 1 1    4    1   37 o  461.315  169.740   3.5435   3.2241   3.5435   3.2241   0.0000   0.0000  461.315  169.740  ?   ?  0.000000 169.7405 
1 1 1    4    1   39 o  2612.37  197.157  130.180   16.009  130.180   16.009   0.0000   0.0000  2612.37  197.157  ?   ?  0.000000 197.1566 
1 1 1    4    1   41 o  1117.72  171.491   23.335   5.8103   23.335   5.8103   0.0000   0.0000  1117.72  171.491  ?   ?  0.000000 171.4910 
1 1 1    4    1   43 o  2077.11  119.661   74.697   7.7498   70.203   11.041   79.062   10.880  1884.18  189.723  2036.71  172.221 -152.5367 256.2316 
1 1 1    4    1   45 o  3066.71  146.405  173.344   14.059  181.676   19.950  165.126   19.814  2862.91  224.346  2679.22  238.685 183.6919 327.5690 
1 1 1    4    1   47 o  2209.90  127.027   88.808   8.7530   88.525   12.479   89.082   12.280  2010.86  200.881  2032.48  195.367 -21.62109 280.2162 
1 1 1    4    1   49 o  1542.64  127.179   45.775   6.0885   37.988   8.7852   52.972   8.4457  1129.78  254.454  1528.22  179.942 -398.4485 311.6505 
1 1 1    4    1   51 o  2712.02  202.313  215.803   17.057  204.902   24.199  226.566   24.046  1061.35  441.250  1384.25  467.389 -322.8999 642.7704 
1 1 1    4    1   53 o  442.800  201.874   14.618   6.1894   14.618   6.1894   0.0000   0.0000  442.800  201.874  ?   ?  0.000000 201.8744 
1 1 1    4    1   55 o  1536.99  220.540  107.355   10.310  105.030   14.720  109.593   14.445  492.961  245.047  537.908  262.474 -44.94724 359.0829 
1 1 1    4    1   57 o  280.011  137.429   6.1885   4.1362  -2.8531   6.2830   13.104   5.4949  ?   ?   309.458  153.108 0.000000 153.1077 
1 1 1    4    1   59 o  360.335  173.288   28.429   5.7345   33.553   8.3765   23.909   7.8671  ?   ?   ?   ?  0.000000      ? 
1 1 1    4    2    6 o  3612.37  118.820  204.913   13.440  115.985   18.987  294.207   19.026  2697.90  226.869  4325.90  140.464 -1628.001 266.8327 
1 1 1    4    2    8 o  3220.99  131.191  163.116   13.232  161.980   18.712  164.253   18.713  3197.34  187.722  3220.05  186.388 -22.70703 264.5377 
1 1 1    4    2   10 o  3831.31  145.453  231.325   17.450   0.0000   0.0000  231.325   17.450  ?   ?   3831.31  145.453 0.000000 145.4533 
1 1 1    4    2   12 o  3261.83  106.231  167.380   10.850  164.064   18.799  169.037   13.286  3207.69  187.988  3274.08  129.597 -66.39307 228.3306 
1 1 1    4    2   14 o  1482.56   80.352   34.643   3.7162   33.351   6.4493   35.284   4.5470  1443.77  144.602  1493.92   97.743 -50.14893 174.5379 
1 1 1    4    2   16 o  2423.53  163.828   94.182   12.359   0.0000   0.0000   94.182   12.359  ?   ?   2423.53  163.828 0.000000 163.8279 
1 1 1    4    2   18 o  1538.76  142.309   37.996   6.7791   0.0000   0.0000   37.996   6.7791  ?   ?   1538.76  142.309 0.000000 142.3086 
1 1 1    4    2   20 o  3855.54  148.080  237.682   17.877  225.183   25.262  250.220   25.303  3701.86  218.908  3912.27  207.285 -210.4177 301.4766 
1 1 1    4    2   22 o  2642.83  117.018  111.214   9.6836   0.0000   0.0000  111.214   9.6836  ?   ?   2642.83  117.018 0.000000 117.0177 
1 1 1    4    2   24 o  887.805   79.463   12.573   2.1857   13.877   3.7177   11.885   2.7019  918.638  133.122  857.595  102.659 61.04340 168.1081 
1 1 1    4    2   26 o  1120.64  138.443   20.830   4.7547   20.830   4.7547   0.0000   0.0000  1120.64  138.443  ?   ?  0.000000 138.4429 
1 1 1    4    2   28 o  1231.27   81.559   24.294   3.1266   26.664   5.5358   23.184   3.7888  1261.60  142.637  1194.86  102.253 66.74756 175.5024 
1 1 1    4    2   30 o  1796.45   86.200   51.799   4.8489   55.636   8.4858   49.939   5.9085  1811.59  150.969  1748.50  108.453 63.09253 185.8862 
1 1 1    4    2   32 o  2202.44  115.102   80.324   7.9103   79.741   11.298   80.884   11.079  2126.13  171.150  2148.48  165.976 -22.34790 238.4125 
1 1 1    4    2   34 o  1570.94  102.051   40.880   4.9927   46.625   7.2324   35.650   6.9007  1636.73  142.543  1413.53  158.648 223.2029 213.2785 
1 1 1    4    2   36 o  924.446  173.807   15.922   4.8464   15.922   4.8464   0.0000   0.0000  924.446  173.807  ?   ?  0.000000 173.8068 
1 1 1    4    2   38 o  1548.00  163.192   43.166   7.7910   43.166   7.7910   0.0000   0.0000  1548.00  163.192  ?   ?  0.000000 163.1918 
1 1 1    4    2   40 o  1505.06  108.909   38.025   5.0979   36.751   7.3998   39.177   7.0332  1413.72  170.611  1479.79  154.046 -66.07092 229.8659 
1 1 1    4    2   42 o  2168.84  119.172   80.766   8.0621   81.924   11.540   79.661   11.268  2073.08  179.544  2048.38  177.434 24.70093 252.4260 
1 1 1    4    2   44 o  1524.21  178.718   45.473   8.3677   45.473   8.3677   0.0000   0.0000  1524.21  178.718  ?   ?  0.000000 178.7180 
1 1 1    4    2   46 o  2219.64  205.163  105.802   14.098  105.802   14.098   0.0000   0.0000  2219.64  205.163  ?   ?  0.000000 205.1633 
1 1 1    4    2   48 o  913.962  223.189   20.968   6.3320   20.968   6.3320   0.0000   0.0000  913.962  223.189  ?   ?  0.000000 223.1887 
1 1 1    4    2   50 o  1315.17  132.284   35.449   5.3737   28.000   7.8634   41.975   7.3607  835.402  266.519  1294.71  186.982 -459.3054 325.5680 
1 1 1    4    2   52 o  806.165  275.690   38.395   8.3672   38.395   8.3672   0.0000   0.0000  806.165  275.690  ?   ?  0.000000 275.6900 
1 1 1    4    2   54 o  518.644  220.390   22.069   6.2453   0.0000   0.0000   22.069   6.2453  ?   ?   518.644  220.390 0.000000 220.3896 
1 1 1    4    2   56 o  429.225  185.067   14.763   4.5232   13.067   6.9073   16.036   5.9849  305.237  153.941  350.621  170.615 -45.38394 229.7982 
1 1 1    4    2   58 o  678.586  268.677   73.994   8.4761   67.541   12.340   79.757   11.663  ?   ?   ?   ?  0.000000      ? 
1 1 1    4    3    3 o  136.684   53.562   0.1686   0.3337   0.4199   0.5107  -0.0186   0.4407  184.146   67.588  136.485   58.285 47.66116 89.24793 
1 1 1    4    3    5 o  2164.22  107.228   73.508   7.2665   69.359   10.271   77.666   10.282  2093.48  157.845  2217.17  148.966 -123.6987 217.0392 
1 1 1    4    3    7 o  3537.04   97.977  196.318   10.851  200.323   15.346  192.314   15.346  3569.00  137.322  3496.59  140.160 72.40356 196.2198 
1 1 1    4    3    9 o  4553.09  135.380  326.314   19.301  314.089   33.431  332.426   23.638  4434.80  241.661  4589.67  164.481 -154.8711 292.3250 
1 1 1    4    3   11 o  1857.31   82.052   54.151   4.7719   51.136   8.2719   55.655   5.8420  1793.44  148.640  1879.13   99.641 -85.68970 178.9479 
1 1 1    4    3   13 o  648.233   92.682   6.7414   1.8277   8.2498   2.5944   5.2552   2.5752  713.564  120.397  565.505  144.804 148.0591 188.3181 
1 1 1    4    3   15 o  2807.07   93.159  124.105   8.1883  126.437   14.190  122.942   10.026  2812.06  161.833  2789.58  114.783 22.48438 198.4059 
1 1 1    4    3   17 o  5310.87  175.781  452.307   29.232   0.0000   0.0000  452.307   29.232  ?   ?   5310.87  175.781 0.000000 175.7808 
1 1 1    4    3   19 o  1534.04   98.697   37.315   4.7157   0.0000   0.0000   37.315   4.7157  ?   ?   1534.04   98.697 0.000000 98.69673 
1 1 1    4    3   21 o  3118.21  189.668  158.817   18.431   0.0000   0.0000  158.817   18.431  ?   ?   3118.21  189.668 0.000000 189.6681 
1 1 1    4    3   23 o  1624.32  145.218   42.945   7.3081   42.945   7.3081   0.0000   0.0000  1624.32  145.218  ?   ?  0.000000 145.2182 
1 1 1    4    3   25 o  2148.49  111.611   74.366   7.4827   81.007   10.570   67.694   10.594  2215.46  153.313  2012.82  169.673 202.6384 228.6784 
1 1 1    4    3   27 o  1752.81  152.173   51.414   8.2691   51.414   8.2691   0.0000   0.0000  1752.81  152.173  ?   ?  0.000000 152.1727 
1 1 1    4    3   29 o  2297.24  113.760   85.948   8.1830  102.689   11.607   69.406   11.538  2471.62  150.698  1993.93  186.988 477.6888 240.1552 
1 1 1    4    3   31 o  1113.31  102.224   20.311   3.5238   26.555   5.1124   14.661   4.8636  1256.55  131.904  904.106  178.134 352.4430 221.6541 
1 1 1    4    3   33 o  1064.33  162.817   20.238   5.2537   20.238   5.2537   0.0000   0.0000  1064.33  162.817  ?   ?  0.000000 162.8170 
1 1 1    4    3   35 o  566.983  181.008   6.0516   3.6265   6.0516   3.6265   0.0000   0.0000  566.983  181.008  ?   ?  0.000000 181.0083 
1 1 1    4    3   37 o  1373.58  164.324   34.046   6.9273   34.046   6.9273   0.0000   0.0000  1373.58  164.324  ?   ?  0.000000 164.3235 
1 1 1    4    3   39 f  1160.48  111.426   22.653   3.9992   19.605   6.1032   24.947   5.2941  1005.84  200.813  1191.04  144.943 -185.2018 247.6580 
1 1 1    4    3   41 o  1957.14  117.759   65.184   7.1830   59.903   10.404   69.995   9.9292  1766.32  191.161  1958.08  163.439 -191.7678 251.5050 
1 1 1    4    3   43 o  437.003  147.652   3.4208   2.3998  -3.1829   4.2119   6.5949   2.9201  325.369  154.243  589.257  155.862 -263.8882 219.2801 
1 1 1    4    3   45 o  1041.95  200.495   22.706   6.3039   22.706   6.3039   0.0000   0.0000  1041.95  200.495  ?   ?  0.000000 200.4953 
1 1 1    4    3   47 o  1095.62  210.376   27.046   6.9549   27.046   6.9549   0.0000   0.0000  1095.62  210.376  ?   ?  0.000000 210.3761 
1 1 1    4    3   49 o  776.119  242.158   19.013   6.5249   19.013   6.5249   0.0000   0.0000  776.119  242.158  ?   ?  0.000000 242.1576 
1 1 1    4    3   51 o  408.379  188.429   6.3770   5.6156   6.3770   5.6156   0.0000   0.0000  408.379  188.429  ?   ?  0.000000 188.4288 
1 1 1    4    3   53 o  375.086  180.750   9.5940   6.3186   9.5940   6.3186   0.0000   0.0000  375.086  180.750  ?   ?  0.000000 180.7502 
1 1 1    4    3   57 o  ?   ?    78.539   12.627   78.539   12.627   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4    3   59 o  ?   ?    5.8847   7.7062   5.8847   7.7062   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4    4    0 o  6900.21  333.550  761.298   72.068  761.298   72.068   0.0000   0.0000  6900.21  333.550  ?   ?  0.000000 333.5498 
1 1 1    4    4    2 o  2616.27   35.007  107.191   2.8678  228.169   4.1922   0.7780   3.9317  3817.09   35.075  431.746  178.542 3385.343 181.9548 
1 1 1    4    4    4 o  3065.86  125.937  147.661   12.090  147.661   12.090   0.0000   0.0000  3065.86  125.937  ?   ?  0.000000 125.9366 
1 1 1    4    4    6 o  4250.80  157.781  284.602   21.001  284.602   21.001   0.0000   0.0000  4250.80  157.781  ?   ?  0.000000 157.7805 
1 1 1    4    4    8 o  4355.44  130.402  298.470   17.784  300.840   30.803  297.285   21.781  4345.24  227.184  4341.32  160.229 3.920410 278.0030 
1 1 1    4    4   10 o  2438.00   78.585   93.279   5.9992   92.385   8.4838   94.172   8.4844  2423.37  111.803  2446.81  110.740 -23.43945 157.3633 
1 1 1    4    4   12 o  2754.61  173.359  121.063   14.877   0.0000   0.0000  121.063   14.877  ?   ?   2754.61  173.359 0.000000 173.3586 
1 1 1    4    4   14 o  983.166   76.254   15.281   2.3291   0.0000   0.0000   15.281   2.3291  ?   ?   983.166   76.254 0.000000 76.25396 
1 1 1    4    4   16 o  658.511   89.559   6.9531   1.7988   0.0000   0.0000   6.9531   1.7988  ?   ?   658.511   89.559 0.000000 89.55898 
1 1 1    4    4   18 o  338.173  127.461   1.3325   1.8391   0.0000   0.0000   1.3325   1.8391  ?   ?   338.173  127.461 0.000000 127.4613 
1 1 1    4    4   20 o  1014.71  137.756   16.712   4.2638   16.712   4.2638   0.0000   0.0000  1014.71  137.756  ?   ?  0.000000 137.7560 
1 1 1    4    4   22 o  1774.00  103.716   50.155   5.7361   49.765   8.0833   50.551   8.1413  1750.92  148.848  1764.83  148.709 -13.91162 210.4047 
1 1 1    4    4   24 o  3050.20  191.564  156.294   18.203  156.294   18.203   0.0000   0.0000  3050.20  191.564  ?   ?  0.000000 191.5641 
1 1 1    4    4   26 o  891.208  102.535   12.911   2.8092   16.487   3.9992   9.4278   3.9469  997.785  131.183  735.545  174.075 262.2401 217.9703 
1 1 1    4    4   28 o  717.022  159.784   8.9292   3.4957   8.9292   3.4957   0.0000   0.0000  717.022  159.784  ?   ?  0.000000 159.7841 
1 1 1    4    4   30 o  2100.29  167.495   75.958   10.924   75.958   10.924   0.0000   0.0000  2100.29  167.495  ?   ?  0.000000 167.4945 
1 1 1    4    4   32 o  2508.67  185.048  113.184   14.433  113.184   14.433   0.0000   0.0000  2508.67  185.048  ?   ?  0.000000 185.0478 
1 1 1    4    4   34 o  235.009  106.358  -0.7432   1.6793   4.4768   2.8886  -3.4082   2.0639  500.647  161.726  205.130   99.900 295.5162 190.0927 
1 1 1    4    4   36 o  1189.59  170.260   25.774   6.1611   25.774   6.1611   0.0000   0.0000  1189.59  170.260  ?   ?  0.000000 170.2599 
1 1 1    4    4   38 o  1708.80  169.692   52.708   8.9596   52.708   8.9596   0.0000   0.0000  1708.80  169.692  ?   ?  0.000000 169.6922 
1 1 1    4    4   40 o  1592.39  171.515   46.436   8.4171   46.436   8.4171   0.0000   0.0000  1592.39  171.515  ?   ?  0.000000 171.5147 
1 1 1    4    4   42 o  1874.88  181.564   67.020   10.526   67.020   10.526   0.0000   0.0000  1874.88  181.564  ?   ?  0.000000 181.5637 
1 1 1    4    4   44 o  1985.16  190.859   78.608   11.718   78.608   11.718   0.0000   0.0000  1985.16  190.859  ?   ?  0.000000 190.8594 
1 1 1    4    4   46 o  414.442  183.379   1.4285   4.6987   1.4285   4.6987   0.0000   0.0000  414.442  183.379  ?   ?  0.000000 183.3793 
1 1 1    4    4   48 o  1328.17  216.795   42.460   8.7050   42.460   8.7050   0.0000   0.0000  1328.17  216.795  ?   ?  0.000000 216.7954 
1 1 1    4    4   50 o  657.840  244.555   18.100   6.7246   18.100   6.7246   0.0000   0.0000  657.840  244.555  ?   ?  0.000000 244.5548 
1 1 1    4    4   52 o  602.872  249.321   25.962   7.6674   25.962   7.6674   0.0000   0.0000  602.872  249.321  ?   ?  0.000000 249.3210 
1 1 1    4    4   54 o  320.128  160.853   7.1001   7.1663   7.1001   7.1663   0.0000   0.0000  320.128  160.853  ?   ?  0.000000 160.8529 
1 1 1    4    4   56 o  349.222  156.859   7.6392   3.5737   0.0000   0.0000   7.6392   3.5737  ?   ?   349.222  156.859 0.000000 156.8594 
1 1 1    4    4   58 f  274.703  131.734   5.5125   3.2611   0.0000   0.0000   5.5125   3.2611  ?   ?   274.703  131.734 0.000000 131.7336 
1 1 1    4    5    1 o 11752.76  386.593  2231.03  142.269  2095.47  201.195  2366.61  201.204 11169.65  577.226 11933.68  538.448 -764.0313 789.3776 
1 1 1    4    5    3 o  1534.36  139.227   37.321   6.6163   0.0000   0.0000   37.321   6.6163  ?   ?   1534.36  139.227 0.000000 139.2270 
1 1 1    4    5    5 o  2677.99  118.714  112.687   9.9547  111.150   14.078  114.223   14.078  2649.23  170.615  2686.17  168.226 -36.93799 239.6032 
1 1 1    4    5    7 o  1357.98  136.516   29.326   5.7263   0.0000   0.0000   29.326   5.7263  ?   ?   1357.98  136.516 0.000000 136.5165 
1 1 1    4    5    9 o  2218.45  156.612   78.164   10.809   0.0000   0.0000   78.164   10.809  ?   ?   2218.45  156.612 0.000000 156.6118 
1 1 1    4    5   11 o  2434.48  109.709   93.349   8.3631   80.091   11.802  106.721   11.852  2239.55  169.556  2592.91  146.583 -353.3647 224.1335 
1 1 1    4    5   13 f  1165.37   74.377   21.422   2.6999   19.420   3.2778   25.646   4.7614  1106.53   95.539  1268.40  121.365 -161.8728 154.4575 
1 1 1    4    5   15 o  1302.88   95.675   26.891   3.8759   24.719   5.4306   29.145   5.5336  1239.82  142.473  1349.73  132.645 -109.9094 194.6619 
1 1 1    4    5   17 o  1431.48   97.447   32.469   4.3419   30.143   6.0869   34.878   6.1953  1369.16  144.143  1475.92  135.570 -106.7579 197.8802 
1 1 1    4    5   19 o  1592.32  100.880   40.233   5.0038   40.166   7.0282   40.301   7.1257  1580.31  143.599  1582.43  145.438 -2.119873 204.3840 
1 1 1    4    5   21 o  3311.74  136.206  175.622   14.124  175.105   19.951  176.142   19.998  3263.04  196.182  3272.82  196.047 -9.785889 277.3476 
1 1 1    4    5   23 f  4306.58  246.362  321.283   33.084  321.283   33.084   0.0000   0.0000  4306.58  246.362  ?   ?  0.000000 246.3620 
1 1 1    4    5   25 o  1491.69  148.527   36.872   6.8452   36.872   6.8452   0.0000   0.0000  1491.69  148.527  ?   ?  0.000000 148.5273 
1 1 1    4    5   27 o  496.273  158.158   4.0934   2.7696   4.0934   2.7696   0.0000   0.0000  496.273  158.158  ?   ?  0.000000 158.1580 
1 1 1    4    5   29 o  559.317  131.775   5.3506   2.2699   9.0192   3.4759   2.6225   2.9974  719.408  158.573  434.926  162.959 284.4818 227.3781 
1 1 1    4    5   31 o  863.054  113.884   12.411   3.0025   15.621   4.4201   9.6608   4.0912  948.092  154.188  728.803  180.276 219.2888 237.2201 
1 1 1    4    5   33 o  1471.99  107.900   35.939   4.9386   39.906   7.1764   32.371   6.8068  1509.24  154.012  1348.31  164.647 160.9315 225.4515 
1 1 1    4    5   35 o  1734.79  108.626   50.072   5.8709   64.744   8.4403   36.320   8.1716  1936.50  140.141  1392.89  192.503 543.6123 238.1112 
1 1 1    4    5   37 o  1995.69  175.725   71.984   10.869   71.984   10.869   0.0000   0.0000  1995.69  175.725  ?   ?  0.000000 175.7247 
1 1 1    4    5   39 o  279.216   90.736   1.2429   0.9084   11.747   3.6842   0.5630   0.9373  811.423  150.546  230.330   89.905 581.0931 175.3483 
1 1 1    4    5   41 o  351.227  100.475   2.1024   1.1608   17.692   4.1943   0.8092   1.2080  1002.73  137.181  263.723  102.306 739.0105 171.1296 
1 1 1    4    5   43 o  671.520   81.237   7.4683   1.6734   52.881   4.7254   0.9561   1.7894  1795.10   84.068  303.119  122.283 1491.985 148.3931 
1 1 1    4    5   45 o  282.933  103.724   1.1721   1.2023   53.346   4.8857  -2.1914   1.2405  1793.94   86.977  156.413   76.451 1637.531 115.8001 
1 1 1    4    5   47 o  901.625  114.024   14.496   3.1472   23.171   6.0133   11.224   3.6934  1039.38  191.834  746.573  162.598 292.8076 251.4726 
1 1 1    4    5   49 o  709.899  148.388   10.599   3.1923   6.5590   6.4616   11.903   3.6716  467.750  210.436  731.554  164.303 -263.8034 266.9808 
1 1 1    4    5   51 o  1254.31  144.834   35.976   5.5839   30.054   9.3283   39.283   6.9707  623.258  267.201  1172.61  196.821 -549.3497 331.8655 
1 1 1    4    5   53 o  403.678  158.476   5.5908   2.9256   0.0000   0.0000   5.5908   2.9256  ?   ?   403.678  158.476 0.000000 158.4763 
1 1 1    4    5   55 o  337.887  146.862   4.8252   2.8948   0.0000   0.0000   4.8252   2.8948  ?   ?   337.887  146.862 0.000000 146.8624 
1 1 1    4    5   57 o  466.013  225.728   68.938   10.167   0.0000   0.0000   68.938   10.167  ?   ?   466.013  225.728 0.000000 225.7278 
1 1 1    4    5   59 o  388.187  174.999   19.850   4.4954   14.707   9.1849   21.469   5.1550  ?   ?   341.700  164.320 0.000000 164.3197 
1 1 1    4    6    0 o  3889.77  211.937  240.145   25.716   0.0000   0.0000  240.145   25.716  ?   ?   3889.77  211.937 0.000000 211.9370 
1 1 1    4    6    2 o  5028.65  257.019  403.546   40.335   0.0000   0.0000  403.546   40.335  ?   ?   5028.65  257.019 0.000000 257.0194 
1 1 1    4    6    4 o  4648.80  242.059  344.936   35.114   0.0000   0.0000  344.936   35.114  ?   ?   4648.80  242.059 0.000000 242.0587 
1 1 1    4    6    6 o  1816.33  146.040   52.349   8.2356   0.0000   0.0000   52.349   8.2356  ?   ?   1816.33  146.040 0.000000 146.0401 
1 1 1    4    6    8 o  1494.74   97.617   35.266   4.5438   35.201   6.4244   35.330   6.4273  1487.09  139.603  1489.87  139.392 -2.781006 197.2793 
1 1 1    4    6   10 o  2642.63  118.024  110.106   9.7662  103.511   13.802  116.718   13.821  2546.13  174.169  2707.32  163.802 -161.1921 239.0941 
1 1 1    4    6   12 o  2400.85  112.044   90.934   8.4231   83.805   11.879   98.142   11.945  2288.50  166.928  2481.14  154.517 -192.6460 227.4656 
1 1 1    4    6   14 o  1836.74  148.220   53.936   8.4520   53.936   8.4520   0.0000   0.0000  1836.74  148.220  ?   ?  0.000000 148.2204 
1 1 1    4    6   16 o  3040.17  103.586  145.872   9.8609  141.011   12.056  155.695   17.139  2982.50  129.097  3112.58  176.580 -130.0859 218.7386 
1 1 1    4    6   18 f  672.984  141.860   7.4792   2.8952   7.4792   2.8952   0.0000   0.0000  672.984  141.860  ?   ?  0.000000 141.8599 
1 1 1    4    6   20 o  953.605  143.816   14.871   4.1608   14.871   4.1608   0.0000   0.0000  953.605  143.816  ?   ?  0.000000 143.8165 
1 1 1    4    6   22 o  457.816  150.245   3.2882   2.4883   3.2882   2.4883   0.0000   0.0000  457.816  150.245  ?   ?  0.000000 150.2446 
1 1 1    4    6   24 o  1690.55  104.166   45.910   5.4872   53.938   7.7891   38.000   7.7314  1816.05  138.008  1507.72  166.546 308.3302 216.2952 
1 1 1    4    6   26 o  1434.61  150.314   34.320   6.6520   34.320   6.6520   0.0000   0.0000  1434.61  150.314  ?   ?  0.000000 150.3142 
1 1 1    4    6   30 o  4710.43  184.182  387.768   27.166  462.936   38.450  312.843   38.388  4933.45  249.713  3837.57  322.449 1095.871 407.8357 
1 1 1    4    6   32 o  2452.89  183.541  108.155   13.995   0.0000   0.0000  108.155   13.995  ?   ?   2452.89  183.541 0.000000 183.5414 
1 1 1    4    6   34 f  651.693  139.499   7.4834   2.7607   8.9726   4.1843   6.3356   3.6737  688.118  188.593  584.700  181.585 103.4175 261.8028 
1 1 1    4    6   36 o  675.659  138.614   8.0025   2.8342   9.4618   4.3192   6.8989   3.7560  707.049  190.710  609.211  182.529 97.83783 263.9833 
1 1 1    4    6   38 o  1323.26  176.665   31.735   7.1372   31.735   7.1372   0.0000   0.0000  1323.26  176.665  ?   ?  0.000000 176.6655 
1 1 1    4    6   40 o  686.329  206.825   9.3935   4.8122   9.3935   4.8122   0.0000   0.0000  686.329  206.825  ?   ?  0.000000 206.8248 
1 1 1    4    6   42 o  542.189  203.142   5.5338   4.6578   5.5338   4.6578   0.0000   0.0000  542.189  203.142  ?   ?  0.000000 203.1424 
1 1 1    4    6   46 o  239.618   85.020   0.8585   0.7999   27.049   4.9263   0.1493   0.8107  1224.29  130.519  190.569   80.104 1033.716 153.1398 
1 1 1    4    6   48 o  248.931   97.155   0.8082   1.0945   0.0000   0.0000   0.8082   1.0945  ?   ?   248.931   97.155 0.000000 97.15459 
1 1 1    4    6   50 o  224.879   93.187   0.5266   1.0742   0.0000   0.0000   0.5266   1.0742  ?   ?   224.879   93.187 0.000000 93.18729 
1 1 1    4    6   52 o  ?   ?   -4.2796   0.3506   33.418   6.2192  -4.3998   0.3512  1034.41  199.239  ?   ?  0.000000 199.2390 
1 1 1    4    6   54 o  1198.39  162.616   42.453   5.9445   43.774   10.347   41.803   7.2626  485.692  233.374  886.331  250.550 -400.6389 342.4015 
1 1 1    4    6   56 o  496.812  174.033   11.435   3.3430   13.013   8.3002   11.130   3.6523  ?   ?   442.295  175.972 0.000000 175.9724 
1 1 1    4    6   58 o  226.586  107.621   1.4225   2.0697   0.0000   0.0000   1.4225   2.0697  ?   ?   226.586  107.621 0.000000 107.6212 
1 1 1    4    7    1 o  3171.99  186.529  159.750   18.445   0.0000   0.0000  159.750   18.445  ?   ?   3171.99  186.529 0.000000 186.5294 
1 1 1    4    7    3 o  1513.59   97.851   36.131   4.6128   35.915   6.5257   36.347   6.5212  1503.25  140.257  1512.49  139.258 -9.248779 197.6481 
1 1 1    4    7    5 o  2628.58  117.994  108.751   9.7118  110.748   13.736  106.755   13.733  2640.51  166.993  2591.56  170.180 48.94873 238.4284 
1 1 1    4    7    7 o  2814.37  122.248  124.832   10.773  121.448   15.232  128.218   15.239  2760.54  177.154  2838.07  172.293 -77.53369 247.1199 
1 1 1    4    7    9 o  3540.77  201.460  201.046   22.244   0.0000   0.0000  201.046   22.244  ?   ?   3540.77  201.460 0.000000 201.4595 
1 1 1    4    7   11 o  596.836  148.205   5.8710   2.7571   0.0000   0.0000   5.8710   2.7571  ?   ?   596.836  148.205 0.000000 148.2052 
1 1 1    4    7   15 o  929.105  138.640   13.989   3.9099   13.989   3.9099   0.0000   0.0000  929.105  138.640  ?   ?  0.000000 138.6398 
1 1 1    4    7   17 f  1362.46  140.884   29.849   5.9236   29.849   5.9236   0.0000   0.0000  1362.46  140.884  ?   ?  0.000000 140.8843 
1 1 1    4    7   19 o  3203.70  193.447  167.689   19.315   0.0000   0.0000  167.689   19.315  ?   ?   3203.70  193.447 0.000000 193.4470 
1 1 1    4    7   21 o  1405.63  101.838   31.559   4.4519   32.464   6.2886   30.650   6.3033  1411.98  144.261  1369.69  149.392 42.29138 207.6756 
1 1 1    4    7   23 o  1981.73  109.035   63.061   6.7399   70.422   9.5467   55.745   9.5166  2073.21  148.032  1831.83  167.777 241.3862 223.7465 
1 1 1    4    7   25 o  1780.61  107.232   51.113   5.9509   54.853   8.4180   47.378   8.4136  1820.99  148.936  1683.68  161.575 137.3108 219.7465 
1 1 1    4    7   27 o  1892.31  159.045   60.088   9.3365   60.088   9.3365   0.0000   0.0000  1892.31  159.045  ?   ?  0.000000 159.0446 
1 1 1    4    7   29 f  1456.19  104.569   34.486   4.7363   42.054   6.7473   27.136   6.6499  1588.27  137.014  1249.91  174.684 338.3521 222.0072 
1 1 1    4    7   31 o  445.404  160.121   3.0950   2.8461   0.0000   0.0000   3.0950   2.8461  ?   ?   445.404  160.121 0.000000 160.1209 
1 1 1    4    7   33 o  1040.60  113.396   18.087   3.6351   28.745   5.3427   8.9014   4.9601  1299.86  133.142  679.169  211.007 620.6904 249.5014 
1 1 1    4    7   35 o  1649.69  111.656   45.094   5.7337   51.675   8.1928   38.776   8.0272  1725.82  153.200  1469.10  178.142 256.7194 234.9568 
1 1 1    4    7   37 o  1223.23  178.192   26.971   6.6247   26.971   6.6247   0.0000   0.0000  1223.23  178.192  ?   ?  0.000000 178.1922 
1 1 1    4    7   39 o  1080.73  196.403   22.010   6.4015   22.010   6.4015   0.0000   0.0000  1080.73  196.403  ?   ?  0.000000 196.4034 
1 1 1    4    7   41 o  512.982  204.061   4.2284   4.9105   4.2284   4.9105   0.0000   0.0000  512.982  204.061  ?   ?  0.000000 204.0605 
1 1 1    4    7   49 o  1573.80  263.400   78.771   12.521   78.771   12.521   0.0000   0.0000  1573.80  263.400  ?   ?  0.000000 263.3997 
1 1 1    4    7   51 o  332.398  164.876  -0.5724   6.5245  -0.5724   6.5245   0.0000   0.0000  332.398  164.876  ?   ?  0.000000 164.8763 
1 1 1    4    7   53 o  319.959  160.653   2.7172   7.0787   2.7172   7.0787   0.0000   0.0000  319.959  160.653  ?   ?  0.000000 160.6530 
1 1 1    4    7   55 o  194.685   81.283   0.5245   0.8261   31.282   7.9373   0.1877   0.8306  467.599  218.551  176.522   77.649 291.0770 231.9349 
1 1 1    4    7   57 o  277.569  111.443   2.3154   1.4785   20.209   8.6155   1.7724   1.5008  ?   ?   252.369  107.658 0.000000 107.6576 
1 1 1    4    8    0 f  4809.56  173.667  366.307   26.154  354.428   36.984  378.192   36.992  4695.13  252.489  4854.50  244.134 -159.3716 351.2154 
1 1 1    4    8    2 o  7523.81  255.103  909.194   60.099  972.388   84.997  846.011   84.990  7692.79  352.862  7138.77  381.594 554.0303 519.7358 
1 1 1    4    8    4 o  6368.31  220.156  648.289   43.901  641.195   62.082  655.384   62.088  6256.90  317.919  6336.87  312.909 -79.97070 446.0765 
1 1 1    4    8    6 o  725.471   94.818   8.4147   2.1024   6.1979   2.9650   10.656   2.9815  613.832  154.404  813.510  120.707 -199.6786 195.9867 
1 1 1    4    8   10 o  2826.34  176.679  127.805   15.558  127.805   15.558   0.0000   0.0000  2826.34  176.679  ?   ?  0.000000 176.6794 
1 1 1    4    8   12 o  1026.08  137.207   16.962   4.2980   16.962   4.2980   0.0000   0.0000  1026.08  137.207  ?   ?  0.000000 137.2072 
1 1 1    4    8   14 o  1108.67   97.040   19.515   3.3348   18.730   4.6613   20.338   4.7731  1077.42  141.595  1124.14  138.531 -46.71802 198.0912 
1 1 1    4    8   16 o  1614.93  102.566   41.345   5.1596   42.702   7.2485   39.951   7.3461  1631.86  143.307  1576.03  150.696 55.83826 207.9568 
1 1 1    4    8   18 o  850.744  104.206   11.625   2.7179   10.118   3.8129   13.181   3.8752  779.827  161.467  897.714  142.631 -117.8875 215.4414 
1 1 1    4    8   20 o  1269.00  146.947   26.282   5.7310   0.0000   0.0000   26.282   5.7310  ?   ?   1269.00  146.947 0.000000 146.9473 
1 1 1    4    8   22 o  1009.34  103.167   16.412   3.2148   17.655   4.5747   15.200   4.5185  1033.61  145.364  953.713  156.756 79.90021 213.7825 
1 1 1    4    8   24 o  1857.19  107.650   55.498   6.2333   63.071   8.8484   48.037   8.7825  1959.09  145.277  1695.08  167.666 264.0171 221.8495 
1 1 1    4    8   26 o  390.760  149.768   1.8380   2.5661   0.0000   0.0000   1.8380   2.5661  ?   ?   390.760  149.768 0.000000 149.7682 
1 1 1    4    8   28 o  1413.72  155.992   33.770   6.7903   33.770   6.7903   0.0000   0.0000  1413.72  155.992  ?   ?  0.000000 155.9917 
1 1 1    4    8   30 o  1673.90  160.864   48.198   8.3277   0.0000   0.0000   48.198   8.3277  ?   ?   1673.90  160.864 0.000000 160.8640 
1 1 1    4    8   32 o  887.705  120.290   13.252   3.2575   19.514   4.8913   8.2613   4.3668  1060.36  151.634  665.135  196.228 395.2286 247.9888 
1 1 1    4    8   34 o  1138.64  113.141   21.529   3.9805   32.135   5.9859   13.121   5.3296  1372.52  141.301  832.210  205.701 540.3092 249.5571 
1 1 1    4    8   36 o  1199.60  116.999   23.949   4.3388   28.773   6.4384   19.935   5.8726  1281.20  164.272  1048.56  185.659 232.6377 247.9001 
1 1 1    4    8   44 o  1575.65  198.275   49.181   9.5658   49.181   9.5658   0.0000   0.0000  1575.65  198.275  ?   ?  0.000000 198.2751 
1 1 1    4    8   46 o  2696.92  249.881  175.051   20.862  175.051   20.862   0.0000   0.0000  2696.92  249.881  ?   ?  0.000000 249.8808 
1 1 1    4    8   48 o  562.874  234.713   10.744   6.8762   10.744   6.8762   0.0000   0.0000  562.874  234.713  ?   ?  0.000000 234.7133 
1 1 1    4    8   50 o  416.246  198.661   6.0938   7.2276   6.0938   7.2276   0.0000   0.0000  416.246  198.661  ?   ?  0.000000 198.6614 
1 1 1    4    8   52 o  338.172  168.209   2.3430   6.9814   2.3430   6.9814   0.0000   0.0000  338.172  168.209  ?   ?  0.000000 168.2088 
1 1 1    4    8   54 o  481.392  230.863   39.424   10.018   39.424   10.018   0.0000   0.0000  481.392  230.863  ?   ?  0.000000 230.8634 
1 1 1    4    8   56 o  360.416  182.913   40.755   10.838   40.755   10.838   0.0000   0.0000  360.416  182.913  ?   ?  0.000000 182.9130 
1 1 1    4    8   58 o  ?   ?    4.1740   9.4241   4.1740   9.4241   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4    9    1 o  2244.76  110.251   79.333   7.7494   79.760   10.960   78.907   10.959  2239.01  157.324  2226.75  158.202 12.25586 223.1114 
1 1 1    4    9    3 o  1435.01  139.821   32.843   6.2028   32.843   6.2028   0.0000   0.0000  1435.01  139.821  ?   ?  0.000000 139.8207 
1 1 1    4    9    5 o  3071.97  184.494  150.819   17.664  150.819   17.664   0.0000   0.0000  3071.97  184.494  ?   ?  0.000000 184.4943 
1 1 1    4    9    7 o  1659.77  144.572   43.931   7.4386   43.931   7.4386   0.0000   0.0000  1659.77  144.572  ?   ?  0.000000 144.5720 
1 1 1    4    9    9 o  708.601  103.258   8.0714   2.2238   8.2255   3.0418   7.8945   3.2592  708.548  142.048  692.181  154.311 16.36682 209.7368 
1 1 1    4    9   11 o  877.567   97.142   12.272   2.6246   11.113   3.6172   13.562   3.8140  825.500  145.243  915.710  137.245 -90.21008 199.8298 
1 1 1    4    9   13 o  2374.70   93.378   88.814   6.9433   89.478   8.4836   87.468   12.084  2380.13  113.832  2336.11  166.281 44.01489 201.5119 
1 1 1    4    9   15 o  2314.85  112.328   84.749   8.1420   78.445   11.473   91.145   11.557  2207.74  167.199  2384.83  155.614 -177.0857 228.4101 
1 1 1    4    9   17 o  802.212  107.857   10.373   2.6406   9.2938   3.6995   11.493   3.7703  746.525  162.848  835.335  149.640 -88.80945 221.1603 
1 1 1    4    9   19 f  1482.75   85.434   34.872   3.9498   37.700   4.7912   28.872   6.9780  1538.31  100.011  1321.88  172.717 216.4316 199.5827 
1 1 1    4    9   21 o  710.401  158.562   8.5348   3.4377   0.0000   0.0000   8.5348   3.4377  ?   ?   710.401  158.562 0.000000 158.5617 
1 1 1    4    9   23 o  1052.69  104.300   17.881   3.3927   23.613   4.9029   12.615   4.6996  1201.03  132.581  856.474  180.911 344.5531 224.2918 
1 1 1    4    9   25 o  1337.03  150.630   29.703   6.1964   0.0000   0.0000   29.703   6.1964  ?   ?   1337.03  150.630 0.000000 150.6301 
1 1 1    4    9   27 o  1246.67  104.125   25.180   4.0274   34.113   5.8066   16.899   5.5908  1439.40  130.243  981.448  188.780 457.9508 229.3488 
1 1 1    4    9   29 o  1582.91  158.927   42.741   7.7708   0.0000   0.0000   42.741   7.7708  ?   ?   1582.91  158.927 0.000000 158.9272 
1 1 1    4    9   31 o  1413.37  111.634   32.894   4.9003   36.935   7.2246   29.451   6.6688  1461.40  160.524  1297.86  168.042 163.5336 232.3926 
1 1 1    4    9   33 o  1325.23  163.759   30.562   6.6508   0.0000   0.0000   30.562   6.6508  ?   ?   1325.23  163.759 0.000000 163.7594 
1 1 1    4    9   35 f  1004.90  178.724   18.000   5.4176   0.0000   0.0000   18.000   5.4176  ?   ?   1004.90  178.724 0.000000 178.7237 
1 1 1    4    9   37 o  596.457  194.738   6.4414   4.1823   0.0000   0.0000   6.4414   4.1823  ?   ?   596.457  194.738 0.000000 194.7384 
1 1 1    4    9   39 o  807.791  226.504   13.069   5.9606   13.069   5.9606   0.0000   0.0000  807.791  226.504  ?   ?  0.000000 226.5039 
1 1 1    4    9   41 o  450.258  194.607   1.3957   5.0261   1.3957   5.0261   0.0000   0.0000  450.258  194.607  ?   ?  0.000000 194.6072 
1 1 1    4    9   43 f  847.067  243.534   15.832   6.8039   15.832   6.8039   0.0000   0.0000  847.067  243.534  ?   ?  0.000000 243.5339 
1 1 1    4    9   45 o  442.848  200.190   0.8380   5.9298   0.8380   5.9298   0.0000   0.0000  442.848  200.190  ?   ?  0.000000 200.1903 
1 1 1    4    9   47 o  1225.12  243.845   38.673   9.0254   38.673   9.0254   0.0000   0.0000  1225.12  243.845  ?   ?  0.000000 243.8453 
1 1 1    4    9   51 o  1220.49  395.341  127.751   17.252  127.751   17.252   0.0000   0.0000  1220.49  395.341  ?   ?  0.000000 395.3415 
1 1 1    4    9   53 o  466.558  223.316   26.805   9.2734   26.805   9.2734   0.0000   0.0000  466.558  223.316  ?   ?  0.000000 223.3164 
1 1 1    4    9   55 o  332.408  168.393   15.149   8.9046   15.149   8.9046   0.0000   0.0000  332.408  168.393  ?   ?  0.000000 168.3926 
1 1 1    4    9   57 o  ?   ?    39.697   11.314   39.697   11.314   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4   10    0 o  3191.91  188.602  162.812   18.766  162.812   18.766   0.0000   0.0000  3191.91  188.602  ?   ?  0.000000 188.6022 
1 1 1    4   10    2 o  3471.88  198.733  192.978   21.515  192.978   21.515   0.0000   0.0000  3471.88  198.733  ?   ?  0.000000 198.7327 
1 1 1    4   10    4 o  4676.50  170.598  347.410   24.981  339.201   35.316  355.630   35.341  4578.69  247.245  4692.09  241.362 -113.4033 345.5226 
1 1 1    4   10    6 o  3688.75  141.768  215.267   16.375  194.286   23.120  236.382   23.194  3475.53  213.483  3843.77  193.330 -368.2390 288.0127 
1 1 1    4   10    8 o  2783.69  120.241  122.290   10.481  110.034   14.775  134.702   14.869  2621.45  181.114  2907.21  164.006 -285.7585 244.3367 
1 1 1    4   10   10 o  1069.67  138.796   18.414   4.5392   18.414   4.5392   0.0000   0.0000  1069.67  138.796  ?   ?  0.000000 138.7961 
1 1 1    4   10   12 o  418.765  123.292   2.8188   1.7254   5.2610   2.2687  -0.5319   2.6574  565.270  130.775  320.391  139.957 244.8787 191.5469 
1 1 1    4   10   14 o  1530.16  102.137   37.133   4.8656   36.857   6.8108   37.420   6.9534  1514.59  145.397  1525.69  147.386 -11.10120 207.0338 
1 1 1    4   10   16 o  1248.52   81.715   24.677   3.1770   26.435   3.8628   21.004   5.5849  1289.68   96.350  1132.36  162.141 157.3223 188.6083 
1 1 1    4   10   18 o  807.307   89.350   10.433   2.2208   11.014   2.6380   9.0185   4.1147  826.614  104.237  729.469  181.005 97.14484 208.8736 
1 1 1    4   10   20 o  1676.52   86.575   44.649   4.5293   48.193   5.5225   37.366   7.9167  1737.19  101.971  1501.55  171.453 235.6456 199.4848 
1 1 1    4   10   22 o  2279.80  119.134   83.681   8.4750   95.729   11.889   71.234   12.084  2414.00  158.167  2059.92  189.469 354.0867 246.8097 
1 1 1    4   10   24 o  1175.90  108.516   22.345   3.9505   28.892   5.4064   14.844   5.7866  1329.23  131.625  918.865  206.189 410.3692 244.6199 
1 1 1    4   10   26 f  1739.93  107.163   48.878   5.8100   63.274   8.3906   35.618   8.0530  1961.93  137.449  1442.94  182.302 518.9894 228.3119 
1 1 1    4   10   30 o  717.749  178.475   9.2443   3.9942   0.0000   0.0000   9.2443   3.9942  ?   ?   717.749  178.475 0.000000 178.4755 
1 1 1    4   10   34 o  606.483  158.770   6.4620   3.0505   12.654   4.9762   2.7346   3.8610  834.479  194.104  464.922  182.196 369.5576 266.2174 
1 1 1    4   10   36 o  478.123  167.449   3.6887   3.0947   6.7393   4.8816   1.6388   4.0017  614.927  210.576  435.323  180.080 179.6048 277.0763 
1 1 1    4   10   38 o  1713.80  118.413   48.794   6.3154   62.969   9.2390   36.361   8.6526  1908.81  155.939  1403.94  202.696 504.8760 255.7397 
1 1 1    4   10   40 o  1597.13  188.007   46.803   9.2222   46.803   9.2222   0.0000   0.0000  1597.13  188.007  ?   ?  0.000000 188.0068 
1 1 1    4   10   42 o  576.101  229.780   5.7988   6.2417   5.7988   6.2417   0.0000   0.0000  576.101  229.780  ?   ?  0.000000 229.7801 
1 1 1    4   10   44 o  1467.54  219.697   44.410   9.7851   44.410   9.7851   0.0000   0.0000  1467.54  219.697  ?   ?  0.000000 219.6972 
1 1 1    4   10   46 o  1271.00  250.923   40.029   9.6319   40.029   9.6319   0.0000   0.0000  1271.00  250.923  ?   ?  0.000000 250.9233 
1 1 1    4   10   48 o  603.052  245.441   13.832   7.2807   13.832   7.2807   0.0000   0.0000  603.052  245.441  ?   ?  0.000000 245.4413 
1 1 1    4   10   50 o  445.982  211.527   9.3393   7.9407   9.3393   7.9407   0.0000   0.0000  445.982  211.527  ?   ?  0.000000 211.5272 
1 1 1    4   10   52 o  ?   ?   -8.7509   6.8752  -8.7509   6.8752   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4   10   54 o  408.093  202.276   25.719   9.7529   25.719   9.7529   0.0000   0.0000  408.093  202.276  ?   ?  0.000000 202.2763 
1 1 1    4   10   56 o  ?   ?    7.5211   8.9940   7.5211   8.9940   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4   11    1 o  439.413  109.609   3.1601   1.5031   3.0848   2.0979   3.2396   2.1546  442.786  137.174  452.607  138.817 -9.820770 195.1587 
1 1 1    4   11    3 o  2707.71  119.647  115.614   10.144  108.369   14.315  122.924   14.378  2604.84  176.545  2778.05  166.047 -173.2100 242.3632 
1 1 1    4   11    5 o  4672.13  166.371  346.728   24.339  304.441   34.376  389.236   34.466  4329.77  254.679  4921.85  223.640 -592.0864 338.9335 
1 1 1    4   11    7 o  5032.62  144.734  401.196   22.808  392.453   27.923  418.726   39.536  4961.87  179.718  5084.24  248.342 -122.3682 306.5493 
1 1 1    4   11    9 o  750.226   84.232   8.9606   1.9445   10.093   2.3266   6.3365   3.5415  795.078   95.358  621.650  174.691 173.4279 199.0223 
1 1 1    4   11   11 o  1184.21   80.633   22.158   2.9721   22.382   3.5991   21.680   5.2699  1187.68   97.644  1158.61  148.691 29.06213 177.8857 
1 1 1    4   11   13 o  1585.03  102.271   39.851   5.0487   35.871   7.0889   43.947   7.1922  1490.95  154.067  1655.77  140.035 -164.8190 208.1977 
1 1 1    4   11   15 o  1164.35  103.150   21.630   3.7218   21.128   5.1993   22.158   5.3300  1139.10  149.368  1166.98  149.285 -27.87256 211.1795 
1 1 1    4   11   17 o  473.912  134.178   3.6949   2.0812   3.8419   2.8286   3.5214   3.0731  493.390  160.105  484.950  167.029 8.440186 231.3705 
1 1 1    4   11   19 o  1026.51   84.906   16.788   2.7046   14.669   3.2872   21.230   4.7586  952.639  112.360  1141.23  135.834 -188.5895 176.2829 
1 1 1    4   11   21 f  755.110   96.613   9.2072   2.2320   9.6260   2.7474   8.3944   3.8278  766.852  118.216  701.127  174.928 65.72522 211.1273 
1 1 1    4   11   23 o  327.413  117.886   1.4675   1.5432   0.9175   1.9285   2.4468   2.5734  321.131  127.837  419.222  152.039 -98.09073 198.6407 
1 1 1    4   11   25 o  1873.59  115.616   56.799   6.7497   71.803   9.4189   40.962   9.6773  2088.61  144.918  1536.11  206.417 552.5074 252.2090 
1 1 1    4   11   27 o  1696.48  113.346   46.820   5.9864   56.808   8.2866   35.918   8.6577  1848.47  144.312  1430.56  198.638 417.9092 245.5261 
1 1 1    4   11   29 o  1437.28  172.411   35.620   7.6045   35.620   7.6045   0.0000   0.0000  1437.28  172.411  ?   ?  0.000000 172.4115 
1 1 1    4   11   31 o  1091.04  121.977   19.687   4.0958   27.103   6.2411   14.078   5.4283  1258.39  162.163  881.023  201.188 377.3665 258.4058 
1 1 1    4   11   33 o  2110.27  116.363   72.723   7.6593   91.880   11.026   54.859   10.648  2340.17  151.281  1766.68  195.768 573.4860 247.4082 
1 1 1    4   11   35 o  1121.10  231.229   23.534   7.8476   0.0000   0.0000   23.534   7.8476  ?   ?   1121.10  231.229 0.000000 231.2291 
1 1 1    4   11   37 o  2711.04  139.060  123.408   11.765  144.296   16.429  101.423   16.855  2860.33  184.417  2317.09  235.593 543.2388 299.1884 
1 1 1    4   11   39 o  2711.25  205.056  135.514   17.280  135.514   17.280   0.0000   0.0000  2711.25  205.056  ?   ?  0.000000 205.0564 
1 1 1    4   11   41 o  722.410  241.941   10.736   6.4427   10.736   6.4427   0.0000   0.0000  722.410  241.941  ?   ?  0.000000 241.9407 
1 1 1    4   11   43 o  3703.36  294.362  320.115   33.853  320.115   33.853   0.0000   0.0000  3703.36  294.362  ?   ?  0.000000 294.3621 
1 1 1    4   11   45 o  2420.75  235.885  132.509   17.653  132.509   17.653   0.0000   0.0000  2420.75  235.885  ?   ?  0.000000 235.8855 
1 1 1    4   11   47 o  863.375  276.598   24.965   8.4626   24.965   8.4626   0.0000   0.0000  863.375  276.598  ?   ?  0.000000 276.5980 
1 1 1    4   11   49 o  369.077  180.630  -0.8591   6.9921  -0.8591   6.9921   0.0000   0.0000  369.077  180.630  ?   ?  0.000000 180.6300 
1 1 1    4   11   51 o  335.356  168.463  -2.5243   7.8335  -2.5243   7.8335   0.0000   0.0000  335.356  168.463  ?   ?  0.000000 168.4627 
1 1 1    4   11   53 o  641.040  288.707   59.590   12.200   59.590   12.200   0.0000   0.0000  641.040  288.707  ?   ?  0.000000 288.7073 
1 1 1    4   11   55 o  395.244  197.828   31.952   10.332   31.952   10.332   0.0000   0.0000  395.244  197.828  ?   ?  0.000000 197.8281 
1 1 1    4   12    0 o  970.452   96.945   14.962   2.9065   14.495   4.0780   15.444   4.1435  947.158  141.867  978.831  139.104 -31.67291 198.6862 
1 1 1    4   12    2 o  1423.12   79.920   31.915   3.5470   32.090   4.3263   31.558   6.1949  1424.77   97.561  1405.15  142.781 19.61902 172.9292 
1 1 1    4   12    4 o  3978.27  122.935  249.868   15.314  247.206   18.744  255.210   26.557  3948.48  151.608  3981.86  213.781 -33.38330 262.0824 
1 1 1    4   12    6 o  933.080   97.934   13.857   2.8187   13.857   2.8187   0.0000   0.0000  933.080   97.934  ?   ?  0.000000 97.93380 
1 1 1    4   12    8 o  1437.42   82.276   32.600   3.6878   34.165   4.4770   29.296   6.5040  1469.33   97.868  1348.20  157.007 121.1304 185.0121 
1 1 1    4   12   10 o  1905.80   85.598   57.189   5.1081   55.363   6.2240   60.958   8.9403  1869.21  106.782  1951.47  147.398 -82.25464 182.0125 
1 1 1    4   12   12 o  1867.06  106.111   55.317   6.1779   51.888   8.6443   58.896   8.8324  1794.30  155.391  1914.71  148.480 -120.4124 214.9252 
1 1 1    4   12   14 o  447.611  115.712   3.3014   1.6337   1.8366   1.9445   6.8168   3.0123  368.186  132.352  639.334  152.591 -271.1486 201.9924 
1 1 1    4   12   16 o  869.418   88.374   12.072   2.3724   13.810   2.8968   8.5318   4.1343  927.816  101.360  709.854  184.355 217.9622 210.3819 
1 1 1    4   12   18 o  1446.17  151.844   34.149   6.7734   0.0000   0.0000   34.149   6.7734  ?   ?   1446.17  151.844 0.000000 151.8445 
1 1 1    4   12   20 o  1504.83  152.068   37.066   7.0671   0.0000   0.0000   37.066   7.0671  ?   ?   1504.83  152.068 0.000000 152.0684 
1 1 1    4   12   22 o  1183.21  106.529   22.529   3.9045   28.810   5.3862   15.574   5.6682  1330.57  130.976  950.150  196.986 380.4159 236.5548 
1 1 1    4   12   24 o  1842.80  115.631   54.852   6.6384   71.554   9.2566   37.165   9.5253  2089.71  142.313  1460.88  214.631 628.8363 257.5255 
1 1 1    4   12   26 o  1756.97   95.552   49.570   5.2370   57.598   6.4232   33.649   9.0451  1887.24  109.160  1376.20  217.098 511.0398 242.9966 
1 1 1    4   12   28 o  935.068  119.865   14.426   3.4288   22.914   4.5848   3.6544   5.1648  1178.64  126.190  534.716  210.358 643.9266 245.3051 
1 1 1    4   12   30 o  600.027  209.635   5.9894   4.8491   5.9894   4.8491   0.0000   0.0000  600.027  209.635  ?   ?  0.000000 209.6349 
1 1 1    4   12   32 o  1580.95  124.871   40.968   6.1312   37.234   8.4202   45.183   8.9453  1466.67  187.648  1624.00  178.878 -157.3276 259.2472 
1 1 1    4   12   34 o  2234.58  184.782   86.165   12.813   86.165   12.813   0.0000   0.0000  2234.58  184.782  ?   ?  0.000000 184.7817 
1 1 1    4   12   38 f  578.072  226.346   5.1133   5.9551   5.1133   5.9551   0.0000   0.0000  578.072  226.346  ?   ?  0.000000 226.3461 
1 1 1    4   12   40 o  1864.13  193.878   63.194   11.151   63.194   11.151   0.0000   0.0000  1864.13  193.878  ?   ?  0.000000 193.8782 
1 1 1    4   12   42 o  530.235  224.846   3.4110   6.4779   3.4110   6.4779   0.0000   0.0000  530.235  224.846  ?   ?  0.000000 224.8460 
1 1 1    4   12   44 o  895.873  265.464   19.775   7.9773   19.775   7.9773   0.0000   0.0000  895.873  265.464  ?   ?  0.000000 265.4639 
1 1 1    4   12   46 o  669.711  259.643   14.245   7.7768   14.245   7.7768   0.0000   0.0000  669.711  259.643  ?   ?  0.000000 259.6431 
1 1 1    4   12   48 f  1715.08  283.919   96.372   14.714   96.372   14.714   0.0000   0.0000  1715.08  283.919  ?   ?  0.000000 283.9190 
1 1 1    4   12   50 o  512.711  238.035   16.727   9.1675   16.727   9.1675   0.0000   0.0000  512.711  238.035  ?   ?  0.000000 238.0348 
1 1 1    4   12   52 o  460.026  220.917   18.886   9.2431   18.886   9.2431   0.0000   0.0000  460.026  220.917  ?   ?  0.000000 220.9173 
1 1 1    4   12   54 o  ?   ?    2.0399   9.1958   2.0399   9.1958   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4   13    1 o  2779.82   99.446  121.702   8.6560  119.886   10.585  125.368   15.040  2754.74  122.714  2799.80  172.389 -45.05786 211.6046 
1 1 1    4   13    3 o  3943.66  121.870  245.785   15.049  233.012   18.416  271.464   26.111  3829.32  153.584  4110.75  202.852 -281.4238 254.4349 
1 1 1    4   13    5 o  2490.32   93.947   97.681   7.3258   94.910   8.9484  103.311   12.757  2450.79  116.606  2541.53  161.136 -90.73828 198.9015 
1 1 1    4   13    7 o  666.998   91.856   7.1388   1.8676   7.4401   2.1936   6.3451   3.5602  678.440  106.788  620.973  175.382 57.46637 205.3354 
1 1 1    4   13    9 o  1622.30   86.330   41.583   4.3696   47.837   5.3689   29.312   7.5205  1737.94   99.068  1337.49  184.481 400.4507 209.3989 
1 1 1    4   13   11 o  973.521  111.568   15.207   3.3396   18.094   4.9461   12.788   4.5273  1052.43  154.708  877.345  170.945 175.0814 230.5574 
1 1 1    4   13   13 o  654.227  117.396   7.0011   2.3165   6.1546   3.0677   8.1244   3.5337  607.473  159.308  696.545  164.623 -89.07214 229.0848 
1 1 1    4   13   15 o  560.637  127.408   5.2122   2.1859   6.8913   2.8472   2.8017   3.4114  643.028  144.880  467.472  174.104 175.5558 226.5007 
1 1 1    4   13   17 o  1408.45  103.154   31.657   4.5176   29.754   6.2232   33.777   6.5687  1351.17  149.600  1441.27  147.635 -90.09204 210.1814 
1 1 1    4   13   19 o  404.697  122.395   2.6430   1.6830   2.5421   2.0874   2.8304   2.8453  409.230  137.709  447.537  160.183 -38.30640 211.2405 
1 1 1    4   13   21 o  2203.34  113.983   77.850   7.8370   90.127   11.274   66.372   10.901  2348.65  154.163  2001.45  175.727 347.1901 233.7655 
1 1 1    4   13   23 o  1071.79  112.702   18.622   3.7256   33.782   5.7456   7.6240   4.8940  1440.32  128.755  667.230  209.973 773.0883 246.3060 
1 1 1    4   13   25 f  365.952  156.356   0.2168   3.1746  -6.0882   4.2096   8.5318   4.8342  304.125  146.794  696.206  206.734 -392.0808 253.5490 
1 1 1    4   13   27 o  1980.76  121.535   63.823   7.5014   63.823   7.5014   0.0000   0.0000  1980.76  121.535  ?   ?  0.000000 121.5345 
1 1 1    4   13   29 o  863.656  124.433   12.320   3.2679   12.320   3.2679   0.0000   0.0000  863.656  124.433  ?   ?  0.000000 124.4327 
1 1 1    4   13   31 o  1302.37  185.893   29.130   7.3657   29.130   7.3657   0.0000   0.0000  1302.37  185.893  ?   ?  0.000000 185.8934 
1 1 1    4   13   33 o  1242.53  129.047   25.422   4.9475   25.422   4.9475   0.0000   0.0000  1242.53  129.047  ?   ?  0.000000 129.0467 
1 1 1    4   13   35 o  2421.52  199.759  102.815   15.011   0.0000   0.0000  102.815   15.011  ?   ?   2421.52  199.759 0.000000 199.7589 
1 1 1    4   13   37 o  942.328  180.212   15.739   5.1237   20.029   6.6906   9.6551   7.9674  1044.29  211.852  722.569  266.676 321.7208 340.5838 
1 1 1    4   13   39 f  1222.69  164.439   26.020   6.1360   22.584   8.1244   30.582   9.3617  1072.69  246.985  1253.85  247.234 -181.1514 349.4655 
1 1 1    4   13   41 o  1023.03  250.479   21.489   7.9594   21.489   7.9594   0.0000   0.0000  1023.03  250.479  ?   ?  0.000000 250.4793 
1 1 1    4   13   43 o  990.237  263.949   22.609   8.3330   22.609   8.3330   0.0000   0.0000  990.237  263.949  ?   ?  0.000000 263.9494 
1 1 1    4   13   45 f  428.747  202.355  -1.0496   7.1008  -1.0496   7.1008   0.0000   0.0000  428.747  202.355  ?   ?  0.000000 202.3552 
1 1 1    4   13   47 o  639.958  262.750   15.917   8.4359   15.917   8.4359   0.0000   0.0000  639.958  262.750  ?   ?  0.000000 262.7500 
1 1 1    4   13   49 o  370.004  182.938  -2.2968   7.7960  -2.2968   7.7960   0.0000   0.0000  370.004  182.938  ?   ?  0.000000 182.9381 
1 1 1    4   13   51 o  440.506  212.923   11.618   8.9324   11.618   8.9324   0.0000   0.0000  440.506  212.923  ?   ?  0.000000 212.9226 
1 1 1    4   13   53 o  376.524  188.578   10.487   9.4570   10.487   9.4570   0.0000   0.0000  376.524  188.578  ?   ?  0.000000 188.5779 
1 1 1    4   14    0 o  674.940   92.004   7.3059   1.8938   7.1004   2.2586   7.7922   3.4751  661.354  113.131  685.430  164.092 -24.07648 199.3114 
1 1 1    4   14    2 o  1686.87   82.380   44.775   4.3513   44.075   5.3021   46.220   7.6155  1668.35  101.984  1699.17  144.506 -30.81775 176.8692 
1 1 1    4   14    4 o  2604.65   98.008  107.016   7.9933  109.493   9.7976  102.084   13.823  2629.98  118.974  2517.20  176.486 112.7747 212.8432 
1 1 1    4   14    6 o  2657.21   98.635  111.447   8.2068  115.117   10.050  104.103   14.217  2695.62  119.072  2538.48  180.023 157.1370 215.8394 
1 1 1    4   14    8 o  958.749  107.257   14.718   3.1648   15.805   4.4122   13.565   4.5420  984.761  147.638  906.175  166.197 78.58691 222.3025 
1 1 1    4   14   10 o  1011.25  106.174   16.362   3.3118   14.706   4.4882   18.340   4.9070  945.963  157.029  1060.14  152.184 -114.1719 218.6735 
1 1 1    4   14   12 o  701.563  119.881   8.0342   2.5389   9.8429   3.4078   5.7778   3.8062  772.065  146.319  596.198  184.777 175.8669 235.6946 
1 1 1    4   14   14 o  1024.82   90.504   16.723   2.8744   18.401   3.5061   13.283   5.0200  1072.26  105.805  888.302  186.422 183.9548 214.3543 
1 1 1    4   14   16 o  1438.29   85.854   32.797   3.8489   36.424   4.7115   25.522   6.6735  1512.70  100.033  1242.03  176.567 270.6782 202.9349 
1 1 1    4   14   18 o  1035.05   91.537   17.095   2.9361   19.107   3.6232   13.247   5.0111  1091.01  107.454  883.679  186.936 207.3290 215.6189 
1 1 1    4   14   20 o  626.475  120.616   6.4856   2.2802   6.8950   2.5614   4.9219   5.0058  643.852  131.494  582.139  211.909 61.71362 249.3913 
1 1 1    4   14   22 o  316.202  129.346   0.6413   2.0349   0.0329   2.2581   3.2706   4.6943  308.257  131.791  520.023  201.694 -211.7660 240.9341 
1 1 1    4   14   24 o  1087.69  152.286   19.721   5.0444   19.721   5.0444   0.0000   0.0000  1087.69  152.286  ?   ?  0.000000 152.2860 
1 1 1    4   14   26 o  1782.88  173.230   53.294   9.5487   53.294   9.5487   0.0000   0.0000  1782.88  173.230  ?   ?  0.000000 173.2295 
1 1 1    4   14   30 o  1137.28  118.436   21.040   4.1558   21.040   4.1558   0.0000   0.0000  1137.28  118.436  ?   ?  0.000000 118.4364 
1 1 1    4   14   32 o  1646.46  182.111   46.030   9.2315   46.030   9.2315   0.0000   0.0000  1646.46  182.111  ?   ?  0.000000 182.1115 
1 1 1    4   14   34 o  1713.80  132.867   48.309   7.0744   48.803   9.6414   47.733   10.412  1685.12  185.812  1650.16  206.001 34.96277 277.4209 
1 1 1    4   14   36 o  2202.53  125.018   79.587   8.5866   80.137   11.161   78.789   13.441  2173.77  165.206  2111.68  205.898 62.09204 263.9829 
1 1 1    4   14   38 o  1352.27  247.309   34.744   10.086   0.0000   0.0000   34.744   10.086  ?   ?   1352.27  247.309 0.000000 247.3090 
1 1 1    4   14   40 o  1054.50  116.563   18.510   3.7845   16.250   4.1213   30.665   9.5572  975.449  138.852  1241.03  254.483 -265.5763 289.8992 
1 1 1    4   14   42 o  786.515  271.944   14.359   8.1500   14.359   8.1500   0.0000   0.0000  786.515  271.944  ?   ?  0.000000 271.9443 
1 1 1    4   14   44 o  533.840  235.692   4.8756   7.7204   4.8756   7.7204   0.0000   0.0000  533.840  235.692  ?   ?  0.000000 235.6922 
1 1 1    4   14   46 f  413.860  199.327  -1.8862   7.6586  -1.8862   7.6586   0.0000   0.0000  413.860  199.327  ?   ?  0.000000 199.3275 
1 1 1    4   14   50 o  311.140  157.849 -11.9514   8.0223 -11.9514   8.0223   0.0000   0.0000  311.140  157.849  ?   ?  0.000000 157.8490 
1 1 1    4   15    1 o  1217.77   85.780   23.473   3.2500   25.490   3.9710   19.381   5.6561  1266.71  100.956  1087.09  171.877 179.6233 199.3335 
1 1 1    4   15    3 o  2401.29  116.511   91.319   8.7605   91.747   12.367   90.887   12.412  2387.42  166.468  2375.58  167.945 11.84253 236.4677 
1 1 1    4   15    5 o  3036.33  130.183  146.498   12.377  144.428   17.459  148.590   17.550  2985.86  187.688  3029.69  185.890 -43.82153 264.1627 
1 1 1    4   15    7 o  3187.03  193.661  165.059   19.235   0.0000   0.0000  165.059   19.235  ?   ?   3187.03  193.661 0.000000 193.6612 
1 1 1    4   15    9 o  1632.26   87.763   42.140   4.4691   46.533   5.4710   33.329   7.7479  1712.40  102.505  1427.79  177.104 284.6119 204.6290 
1 1 1    4   15   11 o  881.158   92.543   12.392   2.5152   8.3742   3.0260   21.375   4.5241  712.434  140.637  1152.32  127.523 -439.8818 189.8446 
1 1 1    4   15   13 o  462.166  126.132   3.5114   1.8763   4.7218   2.2582   0.8129   3.3718  533.737  135.021  399.564  165.296 134.1729 213.4322 
1 1 1    4   15   15 o  1901.38   88.177   57.121   5.2498   55.999   6.3772   59.481   9.2470  1875.05  109.089  1916.19  155.455 -41.14648 189.9118 
1 1 1    4   15   17 o  632.755  125.700   6.6131   2.4027   8.8590   2.7326  -1.0411   5.0445  735.555  122.985  432.758  190.819 302.7971 227.0180 
1 1 1    4   15   19 o  1146.33  184.717   22.098   6.4050   22.098   6.4050   0.0000   0.0000  1146.33  184.717  ?   ?  0.000000 184.7175 
1 1 1    4   15   21 o  394.578  152.796   1.7200   2.6908   1.7200   2.6908   0.0000   0.0000  394.578  152.796  ?   ?  0.000000 152.7955 
1 1 1    4   15   23 o  1237.80  152.538   25.320   5.7871   25.320   5.7871   0.0000   0.0000  1237.80  152.538  ?   ?  0.000000 152.5380 
1 1 1    4   15   25 o  1088.62  122.138   19.266   4.0916   17.779   5.0003   22.279   7.1176  1031.87  159.935  1135.69  207.808 -103.8262 262.2274 
1 1 1    4   15   27 f  438.963  154.309   2.8286   2.6293   3.1586   2.9166   1.3970   6.0747  462.219  162.520  519.990  218.964 -57.77081 272.6868 
1 1 1    4   15   29 o  1401.11  125.031   31.836   5.4278   37.890   6.8756   21.822   8.8423  1520.21  146.244  1095.56  261.404 424.6514 299.5320 
1 1 1    4   15   31 o  609.500  200.170   6.1745   4.4164   10.961   5.8453  -0.1932   6.7418  785.379  225.706  508.470  222.498 276.9082 316.9366 
1 1 1    4   15   33 o  1827.80  133.798   54.681   7.6045   61.560   10.390   46.745   11.160  1910.83  175.617  1626.97  225.089 283.8604 285.4934 
1 1 1    4   15   35 o  1139.94  168.424   22.159   5.8307   26.726   7.7079   16.050   8.9150  1229.60  207.588  909.448  282.941 320.1488 350.9257 
1 1 1    4   15   37 o  2838.08  145.318  133.900   12.871  148.115   17.276  116.166   19.295  2926.74  189.528  2507.28  249.066 419.4675 312.9769 
1 1 1    4   15   39 o  2295.19  137.176   88.068   9.8134   97.260   12.683   74.357   15.490  2370.10  172.076  1959.42  258.807 410.6792 310.7917 
1 1 1    4   15   41 o  946.167  144.856   15.650   4.1550   17.627   4.6120   7.1298   9.5737  999.995  152.084  645.986  273.604 354.0092 313.0310 
1 1 1    4   15   43 o  1976.61  171.658   73.693   10.519   73.693   10.519   0.0000   0.0000  1976.61  171.658  ?   ?  0.000000 171.6579 
1 1 1    4   15   51 o  ?   ?  -22.1488   8.6821 -22.1488   8.6821   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4   15   53 o  359.691  182.032   5.0949   10.234   5.0949   10.234   0.0000   0.0000  359.691  182.032  ?   ?  0.000000 182.0323 
1 1 1    4   16    0 o  1429.18  105.284   32.443   4.6784   45.647   7.0952   22.286   6.2228  1689.56  135.247  1166.23  175.872 523.3346 221.8621 
1 1 1    4   16    2 o  634.965  129.580   6.6268   2.4891   6.0394   3.4688   7.2503   3.5738  606.055  173.785  660.251  171.372 -54.19531 244.0688 
1 1 1    4   16    4 o  2087.11   91.187   68.682   5.9593   69.952   7.3018   66.148   10.313  2099.82  111.453  2026.27  163.944 73.55786 198.2408 
1 1 1    4   16    6 f  1274.90   86.842   25.732   3.4461   28.832   4.2300   19.614   5.9424  1347.34  101.000  1090.65  180.305 256.6953 206.6666 
1 1 1    4   16    8 o  579.342  116.955   5.5065   2.0485   7.8061   2.5094   0.9122   3.5469  691.979  120.172  412.169  169.933 279.8104 208.1310 
1 1 1    4   16   10 o  1369.93  111.057   29.920   4.7229   35.610   6.7356   24.417   6.6241  1486.02  146.670  1218.41  178.959 267.6064 231.3834 
1 1 1    4   16   12 o  715.088  111.165   8.2928   2.4083   8.6012   2.8363   7.4961   4.5591  724.438  129.801  672.605  201.003 51.83331 239.2704 
1 1 1    4   16   14 o  984.515  117.197   15.620   3.5419   15.620   3.5419   0.0000   0.0000  984.515  117.197  ?   ?  0.000000 117.1973 
1 1 1    4   16   16 o  1107.09  117.952   19.742   4.0259   19.742   4.0259   0.0000   0.0000  1107.09  117.952  ?   ?  0.000000 117.9519 
1 1 1    4   16   18 o  1399.05  116.084   31.440   5.0394   31.440   5.0394   0.0000   0.0000  1399.05  116.084  ?   ?  0.000000 116.0836 
1 1 1    4   16   20 o  595.893  182.941   5.8924   3.7410   4.8561   5.2032   7.0013   5.3825  585.391  215.597  657.144  221.135 -71.75281 308.8406 
1 1 1    4   16   22 f  1116.54  103.970   20.006   3.5932   16.407   4.1484   30.816   7.1898  1001.21  135.830  1362.79  172.340 -361.5860 219.4332 
1 1 1    4   16   24 o  997.576  130.474   16.225   3.9779   15.933   4.8261   16.842   7.0251  977.859  163.383  980.579  232.356 -2.720581 284.0478 
1 1 1    4   16   26 o  483.444  170.278   3.4325   3.2029   3.4325   3.2029   0.0000   0.0000  483.444  170.278  ?   ?  0.000000 170.2783 
1 1 1    4   16   28 o  1399.68  103.171   31.355   4.4898   32.576   5.2635   28.093   8.6029  1421.67  119.343  1274.90  223.659 146.7670 253.5074 
1 1 1    4   16   30 o  528.805  151.719   4.6742   2.6432   4.6435   2.8985   4.8259   6.4406  529.474  160.731  610.475  236.395 -81.00043 285.8625 
1 1 1    4   16   32 o  757.354  137.629   9.5763   3.1436   10.007   3.4418   7.4074   7.7209  771.313  147.889  695.388  261.348 75.92560 300.2896 
1 1 1    4   16   34 o  2678.00  141.512  117.535   11.824  134.461   16.265   98.563   17.220  2820.82  185.171  2360.18  236.181 460.6416 300.1164 
1 1 1    4   16   36 o  1654.07  147.460   45.443   7.5573   46.837   10.113   43.679   11.372  1640.68  201.066  1550.56  242.148 90.11621 314.7433 
1 1 1    4   16   38 o  1348.35  112.523   29.750   4.7073   30.756   5.2519   25.640   10.615  1364.74  124.261  1114.35  298.310 250.3893 323.1558 
1 1 1    4   16   40 o  1752.31  159.914   53.603   8.6777   73.970   11.665   28.362   12.985  2024.37  186.104  1057.27  343.042 967.1025 390.2726 
1 1 1    4   16   44 o  1069.49  162.967   21.925   5.2850   21.925   5.2850   0.0000   0.0000  1069.49  162.967  ?   ?  0.000000 162.9669 
1 1 1    4   16   46 o  891.336  168.132   16.234   4.5205   16.234   4.5205   0.0000   0.0000  891.336  168.132  ?   ?  0.000000 168.1316 
1 1 1    4   16   48 o  530.670  246.423   11.334   9.8330   11.334   9.8330   0.0000   0.0000  530.670  246.423  ?   ?  0.000000 246.4230 
1 1 1    4   16   50 o  489.655  231.729   12.062   9.4281   12.062   9.4281   0.0000   0.0000  489.655  231.729  ?   ?  0.000000 231.7293 
1 1 1    4   16   52 o  444.684  219.141   16.169   10.872   16.169   10.872   0.0000   0.0000  444.684  219.141  ?   ?  0.000000 219.1409 
1 1 1    4   17    1 o  2038.22  112.285   65.901   7.1386   71.617   10.191   60.394   10.003  2112.85  155.120  1935.66  166.661 177.1917 227.6803 
1 1 1    4   17    3 o  1963.02   89.793   60.733   5.5193   71.972   6.8372   39.708   9.3513  2134.85  102.281  1556.92  196.172 577.9280 221.2349 
1 1 1    4   17    5 o  1469.72   91.637   34.190   4.1962   39.965   5.1703   23.045   7.1826  1586.96  104.634  1178.01  201.991 408.9454 227.4836 
1 1 1    4   17    7 o  1206.38   90.260   23.076   3.3848   24.700   4.0976   19.588   6.0057  1245.43  106.085  1089.01  182.587 156.4170 211.1679 
1 1 1    4   17    9 o  3174.48  194.942  163.990   19.284  163.990   19.284   0.0000   0.0000  3174.48  194.942  ?   ?  0.000000 194.9416 
1 1 1    4   17   11 o  555.352  142.016   5.1144   2.4793   5.1144   2.4793   0.0000   0.0000  555.352  142.016  ?   ?  0.000000 142.0160 
1 1 1    4   17   13 o  2392.67  117.377   91.026   8.7939   91.026   8.7939   0.0000   0.0000  2392.67  117.377  ?   ?  0.000000 117.3766 
1 1 1    4   17   15 o  1469.62   94.993   34.326   4.3479   35.274   5.1694   32.034   8.0384  1485.60  111.950  1388.95  189.795 96.64233 220.3516 
1 1 1    4   17   17 f  1728.58   94.462   47.457   5.0935   49.259   6.0991   43.302   9.2596  1756.34  111.480  1618.00  186.160 138.3430 216.9868 
1 1 1    4   17   19 o  1027.80  106.619   16.956   3.3814   17.954   3.9425   14.182   6.5762  1054.10  121.681  903.746  231.391 150.3566 261.4352 
1 1 1    4   17   21 o  1264.13  101.958   25.509   4.0015   26.064   4.6627   23.959   7.7953  1273.73  118.256  1185.87  217.962 87.86133 247.9759 
1 1 1    4   17   23 o  1420.47  105.683   32.205   4.6670   35.508   5.4581   23.221   9.0004  1488.51  118.073  1151.60  256.209 336.9087 282.1071 
1 1 1    4   17   25 o  1486.46  101.094   35.211   4.6774   37.604   5.4733   28.729   9.0072  1532.53  114.893  1294.64  230.646 237.8949 257.6779 
1 1 1    4   17   27 f  1410.68  129.006   32.136   5.6354   40.633   7.1628   18.332   9.1296  1581.05  146.344  1009.94  279.307 571.1042 315.3238 
1 1 1    4   17   29 o  3004.58  118.007  144.453   11.102  149.507   13.364  133.195   19.945  3043.19  140.246  2795.01  229.936 248.1702 269.3317 
1 1 1    4   17   31 o  747.693  145.144   9.3547   3.2756   8.2631   3.5929   14.728   7.9720  696.491  166.923  902.347  264.828 -205.8561 313.0450 
1 1 1    4   17   33 f  2430.66  192.180   99.548   14.507   99.548   14.507   0.0000   0.0000  2430.66  192.180  ?   ?  0.000000 192.1796 
1 1 1    4   17   35 o  2209.28  142.072   80.089   9.7761   85.274   13.331   74.058   14.380  2238.54  192.046  2052.94  227.518 185.5959 297.7347 
1 1 1    4   17   37 o  364.094  181.705 -19.4597   8.4331   0.0000   0.0000 -19.4597   8.4331  ?   ?   364.094  181.705 0.000000 181.7052 
1 1 1    4   17   39 o  1041.11  308.770   24.375   10.789   0.0000   0.0000   24.375   10.789  ?   ?   1041.11  308.770 0.000000 308.7701 
1 1 1    4   17   41 o  859.901  318.879   20.029   11.419   0.0000   0.0000   20.029   11.419  ?   ?   859.901  318.879 0.000000 318.8793 
1 1 1    4   17   43 o  359.920  151.560   1.1315   2.9104   1.1315   2.9104   0.0000   0.0000  359.920  151.560  ?   ?  0.000000 151.5597 
1 1 1    4   17   45 o  192.428   94.591  -3.5881   1.9839  -3.5881   1.9839   0.0000   0.0000  192.428   94.591  ?   ?  0.000000 94.59145 
1 1 1    4   17   47 o  527.324  241.976   8.0691   9.0857   8.0691   9.0857   0.0000   0.0000  527.324  241.976  ?   ?  0.000000 241.9764 
1 1 1    4   17   49 o  206.135   98.858  -1.9143   1.8371  -1.9143   1.8371   0.0000   0.0000  206.135   98.858  ?   ?  0.000000 98.85789 
1 1 1    4   17   51 o  508.792  244.986   20.503   11.550   20.503   11.550   0.0000   0.0000  508.792  244.986  ?   ?  0.000000 244.9862 
1 1 1    4   18    0 o  1765.06   92.830   49.254   5.1125   56.270   6.3056   35.793   8.7344  1883.93  107.336  1478.12  193.350 405.8120 221.1455 
1 1 1    4   18    2 o  916.117  132.018   13.592   3.6777   17.421   5.1957   9.7464   5.2065  1030.80  166.661  762.956  210.895 267.8392 268.7984 
1 1 1    4   18    6 o  881.616  196.126   13.051   5.2744   13.051   5.2744   0.0000   0.0000  881.616  196.126  ?   ?  0.000000 196.1261 
1 1 1    4   18    8 f  1470.16  164.469   35.105   7.4415   35.105   7.4415   0.0000   0.0000  1470.16  164.469  ?   ?  0.000000 164.4691 
1 1 1    4   18   10 o  452.632  151.115   3.1143   2.5134   2.6343   3.0489   4.1320   4.4398  449.211  165.098  548.651  199.594 -99.43976 259.0269 
1 1 1    4   18   12 o  2312.28   97.213   84.547   7.0385   84.953   8.5623   83.699   12.360  2309.28  118.815  2269.38  175.301 39.90112 211.7726 
1 1 1    4   18   14 o  826.084  162.090   11.343   4.0430   13.800   5.4040   8.2190   6.0932  903.854  196.542  713.200  235.160 190.6542 306.4783 
1 1 1    4   18   16 o  748.110  128.781   9.1609   2.9079   9.2509   3.3458   8.8827   5.8793  747.363  148.207  732.189  230.097 15.17401 273.6967 
1 1 1    4   18   18 o  715.789  130.924   8.4118   2.8263   7.0612   3.1678   13.681   6.2571  650.366  157.280  894.137  223.966 -243.7706 273.6748 
1 1 1    4   18   20 o  681.506  151.442   7.7267   3.1478   7.9796   3.5769   6.8580   6.6285  690.443  167.222  682.116  244.453 8.326965 296.1767 
1 1 1    4   18   22 f  652.563  150.655   7.0926   3.0160   9.9203   3.4044  -3.2248   6.5028  775.323  145.574  459.525  208.501 315.7979 254.2921 
1 1 1    4   18   24 o  1167.14  107.750   21.787   3.8934   22.800   4.4206   18.283   8.2204  1191.21  120.158  1023.51  256.895 167.6993 283.6072 
1 1 1    4   18   26 o  1365.58  105.630   29.776   4.4816   30.145   5.1869   28.691   8.9014  1369.60  122.233  1296.46  227.573 73.14514 258.3223 
1 1 1    4   18   28 o  2145.76  131.564   74.081   8.7970   84.249   11.514   59.823   13.635  2272.89  162.862  1870.79  238.156 402.0990 288.5178 
1 1 1    4   18   30 o  1829.73  138.861   54.241   7.8965   54.295   10.920   54.182   11.432  1800.89  196.863  1792.69  207.489 8.192749 286.0190 
1 1 1    4   18   32 o  2011.50  134.343   65.524   8.4129   75.624   10.779   49.779   13.458  2146.07  161.587  1673.52  265.693 472.5557 310.9714 
1 1 1    4   18   34 o  1300.53  168.643   28.335   6.7059   28.335   6.7059   0.0000   0.0000  1300.53  168.643  ?   ?  0.000000 168.6430 
1 1 1    4   18   36 o  1383.19  273.055   36.262   11.406   0.0000   0.0000   36.262   11.406  ?   ?   1383.19  273.055 0.000000 273.0547 
1 1 1    4   18   38 o  987.298  229.106   18.593   6.9460   35.193   8.9412  -6.6730   11.031  1384.03  213.158  527.202  249.835 856.8283 328.4109 
1 1 1    4   18   40 o  540.115  223.146   4.0551   6.1333   2.0438   7.4873   8.1576   10.693  528.832  232.863  670.334  286.696 -141.5021 369.3509 
1 1 1    4   18   42 o  492.679  227.733  -0.2126   8.2572  -0.2126   8.2572   0.0000   0.0000  492.679  227.733  ?   ?  0.000000 227.7333 
1 1 1    4   18   44 o  617.437  264.459   9.7390   9.1227   9.7390   9.1227   0.0000   0.0000  617.437  264.459  ?   ?  0.000000 264.4592 
1 1 1    4   18   46 o  385.774  191.440  -9.4525   8.8359  -9.4525   8.8359   0.0000   0.0000  385.774  191.440  ?   ?  0.000000 191.4399 
1 1 1    4   18   48 o  619.930  274.660   17.783   10.574   17.783   10.574   0.0000   0.0000  619.930  274.660  ?   ?  0.000000 274.6600 
1 1 1    4   19    1 o  491.190  172.471   3.4529   3.2842   3.4529   3.2842   0.0000   0.0000  491.190  172.471  ?   ?  0.000000 172.4705 
1 1 1    4   19    3 o  407.434  161.259   1.4980   3.0524   1.4980   3.0524   0.0000   0.0000  407.434  161.259  ?   ?  0.000000 161.2591 
1 1 1    4   19    5 o  613.200  144.571   6.2297   2.7306   7.0872   3.3825   4.6251   4.6269  652.617  165.332  571.747  204.306 80.87097 262.8229 
1 1 1    4   19    7 o  1414.81  116.655   31.927   5.1218   38.409   7.3615   25.845   7.1307  1542.72  154.469  1252.81  187.542 289.9143 242.9662 
1 1 1    4   19    9 o  955.532  137.004   14.818   3.9819   18.864   5.8127   11.240   5.4658  1068.68  180.109  815.747  212.029 252.9306 278.2011 
1 1 1    4   19   11 o  433.141  169.335   1.8800   3.3291   4.0358   4.4302  -0.9164   5.0457  546.169  199.271  438.788  192.234 107.3803 276.8804 
1 1 1    4   19   13 f  1191.89  105.274   22.633   3.8885   23.729   4.6516   20.091   7.0858  1216.68  123.823  1093.25  214.653 123.4347 247.8059 
1 1 1    4   19   15 o  414.549  156.173   2.0455   2.7602   1.9312   3.1956   2.3813   5.4776  429.293  166.438  532.831  214.301 -103.5380 271.3417 
1 1 1    4   19   17 o  945.651  115.389   14.366   3.3459   13.848   3.7969   16.167   7.0783  923.831  135.262  974.425  234.764 -50.59406 270.9423 
1 1 1    4   19   19 o  386.228  167.300  -0.3890   3.7309  -5.5143   4.8816   6.8097   5.7854  352.480  166.792  667.644  229.221 -315.1638 283.4810 
1 1 1    4   19   21 o  1096.71  120.020   19.303   4.0543   20.525   4.6582   15.485   8.2331  1127.86  134.558  948.599  266.280 179.2607 298.3466 
1 1 1    4   19   23 o  757.108  145.016   9.4560   3.3127   12.881   3.7504  -2.7006   7.0661  888.221  139.439  490.956  220.541 397.2645 260.9244 
1 1 1    4   19   25 o  492.449  163.085   3.7476   2.9293   2.8791   3.1666   8.9005   7.7134  462.548  168.517  754.692  264.354 -292.1448 313.4982 
1 1 1    4   19   27 o  736.819  154.238   9.0518   3.4443   8.7655   3.7839   10.436   8.3190  721.776  170.194  800.143  274.859 -78.36719 323.2856 
1 1 1    4   19   29 o  1372.53  142.628   30.585   6.0402   42.258   7.5004   9.0451   10.189  1612.59  150.270  790.101  299.478 822.4860 335.0646 
1 1 1    4   19   31 o  778.424  181.920   10.318   4.3545   10.747   4.9125   8.7430   9.4064  790.921  198.634  766.462  288.387 24.45953 350.1751 
1 1 1    4   19   33 o  462.178  179.339   2.4516   3.7127   4.3780   4.1115  -6.0584   8.6415  540.894  192.664  493.079  229.646 47.81567 299.7613 
1 1 1    4   19   35 o  1366.32  138.136   30.804   5.8286   30.804   5.8286   0.0000   0.0000  1366.32  138.136  ?   ?  0.000000 138.1356 
1 1 1    4   19   37 f  469.112  209.404  -0.6868   6.2644  -1.6239   7.9059   0.8943   10.269  506.083  229.730  599.267  267.760 -93.18359 352.8051 
1 1 1    4   19   39 o  519.168  218.880   2.8410   6.0819   8.0113   7.7491  -5.4525   9.8144  658.791  258.131  497.294  235.660 161.4967 349.5237 
1 1 1    4   19   41 o  815.513  260.276   15.023   7.4987   7.4493   9.3696   28.517   12.507  633.782  269.645  1009.90  337.098 -376.1220 431.6751 
1 1 1    4   19   43 o  848.550  195.323   14.511   5.0822   14.511   5.0822   0.0000   0.0000  848.550  195.323  ?   ?  0.000000 195.3232 
1 1 1    4   19   45 o  833.656  309.804   23.716   10.790   23.716   10.790   0.0000   0.0000  833.656  309.804  ?   ?  0.000000 309.8037 
1 1 1    4   19   47 o  430.737  211.165  -3.9507   9.6785  -3.9507   9.6785   0.0000   0.0000  430.737  211.165  ?   ?  0.000000 211.1654 
1 1 1    4   20    0 o  827.152  126.798   11.083   3.1794   11.928   3.9907   9.6148   5.2605  852.504  155.216  759.550  212.721 92.95349 263.3291 
1 1 1    4   20    2 o  510.949  156.093   4.1798   2.7274   6.2656   3.4011   0.4217   4.5651  616.421  170.476  448.163  189.326 168.2581 254.7677 
1 1 1    4   20    4 o  1061.62  107.479   17.976   3.5236   17.367   4.4025   19.061   5.8771  1036.85  139.112  1076.64  180.737 -39.79065 228.0745 
1 1 1    4   20    6 f  1265.83  121.412   25.588   4.7533   31.697   6.7357   19.527   6.7088  1401.97  156.085  1083.42  205.270 318.5448 257.8726 
1 1 1    4   20    8 o  1765.08  117.859   49.492   6.4765   59.852   9.3133   39.791   9.0124  1932.12  155.251  1563.57  187.840 368.5524 243.6940 
1 1 1    4   20   10 o  1247.87  104.210   24.739   4.0346   32.427   4.9338   9.2219   7.0096  1428.55  111.175  763.219  252.253 665.3253 275.6654 
1 1 1    4   20   12 o  588.364  187.840   5.4643   3.9054   3.4477   5.0987   8.3272   6.0749  550.772  211.108  723.366  234.625 -172.5942 315.6196 
1 1 1    4   20   14 o  694.271  192.811   7.9836   4.3409   5.9586   5.7905   10.582   6.5591  644.352  228.736  800.272  241.533 -155.9200 332.6535 
1 1 1    4   20   16 o  396.729  172.427  -0.5503   3.9897   6.2086   5.1818 -10.3912   6.2526  639.191  216.963  362.086  175.775 277.1046 279.2301 
1 1 1    4   20   18 o  1021.62  126.639   16.787   3.9643   19.376   4.6527   9.9256   7.5731  1096.01  138.674  789.585  262.255 306.4269 296.6622 
1 1 1    4   20   20 o  888.927  132.473   12.814   3.5747   13.236   4.0862   11.440   7.3792  899.557  150.376  830.003  257.288 69.55389 298.0097 
1 1 1    4   20   22 o  1304.35  113.073   27.139   4.5725   27.681   5.2481   25.432   9.3160  1313.74  129.251  1220.19  252.166 93.55200 283.3614 
1 1 1    4   20   24 o  626.692  182.961   6.4830   3.8139   7.7869   4.3378   2.0417   8.0057  683.350  193.797  607.434  253.273 75.91614 318.9113 
1 1 1    4   20   26 o  397.271  167.276   0.4286   3.5449   1.4894   3.9253  -4.2622   8.2542  445.841  180.672  512.371  233.413 -66.53073 295.1674 
1 1 1    4   20   28 o  1840.30  108.339   53.916   6.2154   56.771   7.2390   45.906   12.124  1884.01  123.392  1643.58  242.895 240.4305 272.4396 
1 1 1    4   20   30 o  2067.70  112.203   68.241   7.2374   71.905   8.4282   57.951   14.123  2116.72  127.759  1835.42  252.421 281.3044 282.9113 
1 1 1    4   20   32 o  1711.39  134.592   47.483   7.1543   47.709   8.7172   47.016   12.522  1700.68  165.804  1636.19  252.536 64.48914 302.1021 
1 1 1    4   20   34 o  1030.64  141.863   17.647   4.4568   18.799   4.9498   12.713   10.244  1059.17  153.738  837.747  303.422 221.4265 340.1479 
1 1 1    4   20   36 o  464.772  192.210   1.8248   4.5571   1.8248   4.5571   0.0000   0.0000  464.772  192.210  ?   ?  0.000000 192.2105 
1 1 1    4   20   38 o  417.342  179.308   0.7006   4.2170   0.7006   4.2170   0.0000   0.0000  417.342  179.308  ?   ?  0.000000 179.3082 
1 1 1    4   20   40 o  612.110  262.887   5.4195   9.0582   5.4195   9.0582   0.0000   0.0000  612.110  262.887  ?   ?  0.000000 262.8867 
1 1 1    4   20   42 o  728.270  291.456   13.376   10.077   13.376   10.077   0.0000   0.0000  728.270  291.456  ?   ?  0.000000 291.4563 
1 1 1    4   20   44 o  774.447  213.048   12.921   5.3282   12.921   5.3282   0.0000   0.0000  774.447  213.048  ?   ?  0.000000 213.0478 
1 1 1    4   20   46 o  631.125  214.503   9.3699   5.0650   9.3699   5.0650   0.0000   0.0000  631.125  214.503  ?   ?  0.000000 214.5033 
1 1 1    4   21    1 o  861.035  126.562   11.960   3.3104   12.518   4.2073   11.053   5.3640  874.525  159.520  814.459  209.221 60.06580 263.0968 
1 1 1    4   21    3 o  1748.92   96.038   48.292   5.2392   54.971   6.4721   35.595   8.9235  1863.72  111.415  1478.71  197.671 385.0074 226.9075 
1 1 1    4   21    5 o  930.339  143.454   14.023   4.0446   17.756   5.7215   10.294   5.7185  1040.48  182.256  788.406  222.134 252.0698 287.3339 
1 1 1    4   21    7 o  1319.46  101.924   27.584   4.1784   29.198   5.1106   24.331   7.2567  1354.39  121.810  1218.40  196.927 135.9963 231.5552 
1 1 1    4   21    9 o  2000.39   99.051   63.013   6.2043   65.771   7.5566   57.309   10.868  2037.71  118.948  1885.26  186.552 152.4480 221.2471 
1 1 1    4   21   11 f  1012.99  121.228   16.432   3.7689   15.858   4.4745   17.836   6.9924  989.256  149.078  1033.36  222.670 -44.09979 267.9672 
1 1 1    4   21   13 o  1247.90  109.651   24.747   4.2411   27.234   5.0215   18.559   7.9216  1306.94  124.197  1049.38  245.454 257.5592 275.0858 
1 1 1    4   21   15 o  513.127  171.851   3.9672   3.2505   5.8870   3.7535  -1.7908   6.5005  604.132  182.798  487.898  215.797 116.2333 282.8131 
1 1 1    4   21   17 o  1027.11  166.137   17.235   5.1608   14.315   6.8500   21.067   7.8483  921.309  236.305  1120.46  231.361 -199.1547 330.7079 
1 1 1    4   21   19 o  417.664  196.209  -6.5446   6.5379   0.0000   0.0000  -6.5446   6.5379  ?   ?   417.664  196.209 0.000000 196.2092 
1 1 1    4   21   21 o  544.108  188.233   4.3508   3.9050   1.6631   4.5909   11.383   7.4261  481.000  195.227  829.693  258.253 -348.6927 323.7407 
1 1 1    4   21   23 o  476.380  182.096   2.5840   3.7871   4.6670   4.3616  -3.7968   7.6337  566.662  198.771  498.613  226.108 68.04926 301.0562 
1 1 1    4   21   25 o  323.140  145.665  -1.5272   3.1139   0.1156   3.3415 -12.3692   8.5844  378.536  161.039  436.927  210.582 -58.39166 265.1008 
1 1 1    4   21   27 o  691.831  175.089   8.0200   3.7962   5.5134   4.1559   20.651   9.3291  591.613  194.169  1087.29  274.095 -495.6758 335.9012 
1 1 1    4   21   29 o  1405.27  146.148   32.033   6.3368   36.585   7.6313   21.926   11.372  1495.62  165.738  1100.76  314.347 394.8650 355.3639 
1 1 1    4   21   31 f  520.848  221.302   0.9674   6.2958   3.4205   8.0728  -2.8406   10.058  624.398  256.776  580.925  261.839 43.47333 366.7334 
1 1 1    4   21   33 o  1500.67  137.402   36.910   6.3848   36.910   6.3848   0.0000   0.0000  1500.67  137.402  ?   ?  0.000000 137.4018 
1 1 1    4   21   35 o  1150.31  199.171   23.378   6.9142   23.378   6.9142   0.0000   0.0000  1150.31  199.171  ?   ?  0.000000 199.1712 
1 1 1    4   21   37 o  495.141  197.814   2.9971   4.6332   2.9971   4.6332   0.0000   0.0000  495.141  197.814  ?   ?  0.000000 197.8145 
1 1 1    4   21   39 o  704.781  225.857   9.6774   5.6422   14.323   6.2671 -10.1975   12.962  851.225  229.776  529.519  256.084 321.7061 344.0581 
1 1 1    4   21   45 o  373.496  176.048  -2.5866   5.3425  -2.5866   5.3425   0.0000   0.0000  373.496  176.048  ?   ?  0.000000 176.0485 
1 1 1    4   22    0 o  307.025  138.215  -1.3942   2.7927  -0.2002   3.4524  -3.6543   4.7500  378.120  162.342  376.318  173.518 1.801910 237.6201 
1 1 1    4   22    2 o  671.853  160.805   7.4396   3.3378   9.4638   4.1545   3.7540   5.6060  756.752  178.263  578.816  221.480 177.9363 284.3079 
1 1 1    4   22    4 o  419.208  161.529   1.8425   2.9956   3.8082   3.8485  -1.1792   4.7716  524.909  186.462  423.718  186.253 101.1906 263.5489 
1 1 1    4   22    6 o  301.489  137.821  -1.9587   2.9094  -0.2054   3.6382  -5.0685   4.8454  388.104  166.642  359.112  168.770 28.99298 237.1767 
1 1 1    4   22    8 o  518.956  171.623   4.0830   3.2445   4.3122   3.7962   3.4618   6.2494  542.354  185.696  591.339  231.781 -48.98468 296.9937 
1 1 1    4   22   10 o  556.109  177.211   4.8331   3.4772   3.1780   4.0415   9.5497   6.8225  508.515  189.482  775.143  248.354 -266.6277 312.3830 
1 1 1    4   22   12 o  1061.74  124.583   18.038   4.0631   17.829   4.7361   18.621   7.9082  1050.84  148.036  1053.24  244.494 -2.393921 285.8183 
1 1 1    4   22   14 o  735.560  251.413   8.1830   6.9585   0.0000   0.0000   8.1830   6.9585  ?   ?   735.560  251.413 0.000000 251.4127 
1 1 1    4   22   16 o  1363.87  223.534   30.722   9.2154   0.0000   0.0000   30.722   9.2154  ?   ?   1363.87  223.534 0.000000 223.5336 
1 1 1    4   22   18 o  446.237  184.712   0.9381   4.2140  -4.9602   5.1711   12.599   7.2708  376.323  176.054  869.087  252.300 -492.7641 307.6528 
1 1 1    4   22   20 o  963.844  190.731   15.398   5.5525   16.156   7.2486   14.321   8.6376  978.042  238.772  924.487  276.757 53.55481 365.5225 
1 1 1    4   22   22 o  953.781  205.593   15.210   5.9592   8.2895   7.9472   24.100   9.0072  752.430  267.876  1193.79  249.018 -441.3557 365.7426 
1 1 1    4   22   24 o  502.650  209.664   1.0865   5.4892   2.4289   7.2005  -0.7761   8.4815  593.240  243.065  576.223  250.920 17.01691 349.3441 
1 1 1    4   22   26 o  1423.00  119.103   32.340   5.2581   29.291   5.9541   43.140   11.207  1347.74  143.288  1607.15  229.194 -259.4121 270.2982 
1 1 1    4   22   28 f  469.780  191.778   1.5635   4.4620   1.5635   4.4620   0.0000   0.0000  469.780  191.778  ?   ?  0.000000 191.7782 
1 1 1    4   22   30 f  1309.02  189.940   28.771   7.5580   28.771   7.5580   0.0000   0.0000  1309.02  189.940  ?   ?  0.000000 189.9397 
1 1 1    4   22   32 o  785.268  197.889   10.769   4.8639   10.769   4.8639   0.0000   0.0000  785.268  197.889  ?   ?  0.000000 197.8885 
1 1 1    4   22   34 o  879.642  176.095   13.405   4.6811   16.464   5.1652  -0.6579   11.075  977.660  175.158  615.351  276.283 362.3088 327.1279 
1 1 1    4   22   36 o  466.276  189.380   2.1879   4.3232   3.2053   4.6734  -3.8482   11.383  506.041  199.774  573.623  265.936 -67.58200 332.6135 
1 1 1    4   22   38 o  454.050  196.934   0.6815   5.1832   7.0676   5.7038 -29.5883   12.418  630.370  226.671  418.095  210.288 212.2752 309.1936 
1 1 1    4   22   40 o  382.696  178.115  -2.9838   5.1843  -1.7793   5.6576  -9.2911   12.947  419.348  191.882  531.578  256.792 -112.2300 320.5636 
1 1 1    4   22   42 f  744.782  257.638   12.318   7.3154   12.318   7.3154   0.0000   0.0000  744.782  257.638  ?   ?  0.000000 257.6375 
1 1 1    4   23    1 o  1839.54  100.493   53.370   5.7665   56.775   7.1332   46.946   9.7965  1894.49  120.879  1709.13  186.060 185.3604 221.8783 
1 1 1    4   23    3 o  2131.51  101.351   71.454   6.7645   75.453   8.2664   63.349   11.769  2184.91  121.305  1986.76  191.550 198.1471 226.7293 
1 1 1    4   23    5 o  811.113  148.632   10.721   3.6358   15.503   4.4357   0.9305   6.3471  979.348  149.376  536.898  224.829 442.4495 269.9282 
1 1 1    4   23    7 o  863.823  152.122   12.145   3.9644   9.3384   4.6890   19.181   7.4234  751.949  196.842  1074.74  227.671 -322.7956 300.9662 
1 1 1    4   23    9 o  631.263  202.202   6.2297   4.5226   8.7672   5.7819   2.2301   7.2591  738.667  227.543  596.822  244.236 141.8450 333.8066 
1 1 1    4   23   11 o  619.890  204.063   5.8938   4.5889   5.4120   6.0020   6.5718   7.1196  637.105  232.020  696.255  252.832 -59.15033 343.1584 
1 1 1    4   23   13 o  395.018  175.817  -1.6068   4.3816  -2.2310   5.6494  -0.6645   6.9410  444.643  198.643  527.417  228.325 -82.77325 302.6404 
1 1 1    4   23   15 o  900.312  157.031   13.217   4.2659   9.6972   4.9377   23.579   8.4711  765.048  202.827  1190.24  235.632 -425.1896 310.9040 
1 1 1    4   23   17 o  579.295  189.243   5.1774   3.9494   7.0291   4.5269  -0.7224   8.0803  660.436  200.955  567.776  246.074 92.66016 317.7031 
1 1 1    4   23   19 o  707.256  180.196   8.2854   4.0019   11.178   4.5179  -2.2546   8.6238  821.580  180.544  561.894  248.538 259.6858 307.1923 
1 1 1    4   23   21 o  1570.14  115.833   39.142   5.6547   39.527   6.5564   38.022   11.173  1574.16  134.300  1512.30  244.270 61.86743 278.7543 
1 1 1    4   23   23 o  728.205  193.823   8.8341   4.4975   8.8341   4.4975   0.0000   0.0000  728.205  193.823  ?   ?  0.000000 193.8228 
1 1 1    4   23   25 o  1661.72  220.278   45.790   11.179   45.790   11.179   0.0000   0.0000  1661.72  220.278  ?   ?  0.000000 220.2776 
1 1 1    4   23   27 o  886.487  281.509   13.463   8.7805   13.463   8.7805   0.0000   0.0000  886.487  281.509  ?   ?  0.000000 281.5085 
1 1 1    4   23   29 f  1061.98  229.134   19.612   7.3958   25.101   9.8875   12.641   11.143  1183.99  272.370  873.133  316.422 310.8534 417.5023 
1 1 1    4   23   31 o  908.157  190.863   14.199   5.2551   13.191   6.0072   17.485   10.847  864.514  221.051  966.061  313.524 -101.5467 383.6157 
1 1 1    4   23   33 o  1087.56  169.051   20.044   5.5699   19.921   6.2880   20.489   12.003  1071.57  194.567  1013.11  329.862 58.45868 382.9688 
1 1 1    4   23   35 o  470.723  191.766   2.0817   4.4499   4.8989   4.8059 -14.8465   11.781  564.346  207.299  495.352  240.654 68.99347 317.6277 
1 1 1    4   23   37 o  655.200  214.224   7.7273   5.0604   11.102   5.5200 -10.0470   12.668  772.084  218.493  543.811  260.483 228.2726 339.9860 
1 1 1    4   23   39 o  857.925  272.558   15.358   8.2304   2.3060   10.284   38.616   13.728  606.341  269.641  1295.98  335.618 -689.6426 430.5182 
1 1 1    4   23   41 o  565.006  216.039   5.4277   5.3315   4.5283   5.7302   11.225   14.548  547.119  219.489  739.092  325.040 -191.9727 392.2074 
1 1 1    4   24    0 o  658.757  175.454   7.1175   3.6839   6.1973   4.6213   8.7214   6.1014  632.765  204.577  742.564  234.542 -109.7997 311.2262 
1 1 1    4   24    2 o  610.576  180.836   5.9989   3.7025   9.2559   4.5502  -0.3829   6.3693  749.327  192.812  511.588  220.098 237.7390 292.6078 
1 1 1    4   24    4 o  634.542  202.426   6.2876   4.5362   8.6790   6.4647   3.9682   6.3667  746.208  242.037  609.663  235.327 136.5446 337.5801 
1 1 1    4   24    6 o  1709.02  136.226   46.362   7.2294   42.837   9.8130   50.545   10.691  1630.14  196.185  1772.62  195.893 -142.4744 277.2412 
1 1 1    4   24    8 o  630.982  207.041   6.1021   4.7252   8.4882   6.2019   2.8004   7.2954  736.058  236.892  611.315  246.806 124.7428 342.0979 
1 1 1    4   24   10 o  582.922  186.746   5.2816   3.8575   1.5769   4.4220   17.076   7.8901  474.841  191.995  1011.25  250.479 -536.4104 315.5971 
1 1 1    4   24   12 o  420.659  174.057   0.7782   3.7398  -3.3583   4.2831   14.049   7.6717  356.741  164.589  920.151  256.600 -563.4102 304.8493 
1 1 1    4   24   14 o  597.143  191.483   5.5528   4.0550   6.3432   4.6793   3.1693   8.1256  638.307  205.802  644.314  260.350 -6.007690 331.8686 
1 1 1    4   24   16 o  1156.51  139.659   21.439   4.9551   21.172   5.6683   22.305   10.204  1144.46  162.760  1148.88  285.013 -4.413208 328.2125 
1 1 1    4   24   18 o  470.012  184.840   2.0687   3.9865   7.8665   4.4434 -21.8502   9.0252  692.463  196.059  386.316  192.010 306.1466 274.4210 
1 1 1    4   24   20 o  382.289  184.041  -9.6104   6.5111  -9.6104   6.5111   0.0000   0.0000  382.289  184.041  ?   ?  0.000000 184.0409 
1 1 1    4   24   22 o  845.279  190.221   11.915   4.9131   11.915   4.9131   0.0000   0.0000  845.279  190.221  ?   ?  0.000000 190.2210 
1 1 1    4   24   24 o  661.581  191.878   7.2399   4.2071   5.0378   4.6524   17.119   9.8542  586.029  205.305  995.629  295.051 -409.6003 359.4514 
1 1 1    4   24   26 o  576.731  197.834   5.0634   4.3090   8.5131   4.7467 -11.0964   10.274  711.457  203.060  505.124  239.877 206.3335 314.2834 
1 1 1    4   24   28 o  379.373  167.789  -1.0079   3.9296  -1.6672   4.2250   3.2188   10.697  380.518  170.761  691.091  290.767 -310.5732 337.2010 
1 1 1    4   24   30 o  744.243  257.563   9.1758   7.3116   6.6444   9.0834   13.834   12.322  711.094  279.216  899.270  331.691 -188.1757 433.5673 
1 1 1    4   24   32 o  641.052  288.714  -1.7753   12.201   0.0000   0.0000  -1.7753   12.201  ?   ?   641.052  288.714 0.000000 288.7137 
1 1 1    4   24   34 o  634.478  255.304   4.9935   7.7783   0.9828   10.080   10.897   12.229  617.292  271.039  813.459  322.521 -196.1666 421.2865 
1 1 1    4   24   36 o  592.591  215.597   5.6193   5.1805   5.3840   5.6750   6.7958   12.690  594.250  223.919  736.951  313.677 -142.7007 385.3998 
1 1 1    4   24   38 o  636.605  229.672   7.0355   5.8612   7.0355   5.8612   0.0000   0.0000  636.605  229.672  ?   ?  0.000000 229.6724 
1 1 1    4   24   40 o  459.705  217.947  -5.9297   8.4132   6.8373   10.250 -32.2922   14.729  669.009  283.214  454.318  228.573 214.6914 363.9449 
1 1 1    4   25    1 o  446.590  190.692  -0.0775   4.7168  -0.1843   7.2777  -0.0001   6.1938  551.567  236.226  512.782  218.725 38.78583 321.9371 
1 1 1    4   25    3 o  766.745  263.037   8.6875   7.6176   0.0000   0.0000   8.6875   7.6176  ?   ?   766.745  263.037 0.000000 263.0369 
1 1 1    4   25    5 o  622.596  190.996   6.1551   4.0786   5.6112   4.7376   7.7124   8.0161  614.604  207.462  748.784  268.774 -134.1801 339.5290 
1 1 1    4   25    7 o  765.138  176.443   9.6349   4.1409   7.2864   4.7973   16.499   8.2015  676.122  207.096  996.165  260.118 -320.0427 332.4912 
1 1 1    4   25    9 o  611.303  194.409   5.8299   4.1865   9.1479   4.7726  -5.2450   8.7194  746.046  200.151  526.829  239.960 219.2163 312.4759 
1 1 1    4   25   11 o  473.876  188.541   1.8718   4.1928  -5.0229   4.8720   21.560   8.2327  361.757  169.763  1140.53  238.211 -778.7707 292.5130 
1 1 1    4   25   13 o  666.359  196.936   7.1765   4.3949   5.3671   4.9510   13.901   9.5448  610.353  211.905  929.068  293.342 -318.7153 361.8745 
1 1 1    4   25   15 o  502.319  201.687   1.9534   4.8428   1.9534   4.8428   0.0000   0.0000  502.319  201.687  ?   ?  0.000000 201.6867 
1 1 1    4   25   17 o  481.050  194.965   1.6031   4.5715   1.6031   4.5715   0.0000   0.0000  481.050  194.965  ?   ?  0.000000 194.9653 
1 1 1    4   25   19 o  501.602  191.399   2.8451   4.1793   5.1428   4.6464  -6.8908   9.5643  592.919  205.314  533.030  245.932 59.88934 320.3693 
1 1 1    4   25   21 o  491.600  191.803   2.4615   4.2645   2.1936   4.6519   3.8721   10.674  498.648  198.533  720.700  295.690 -222.0528 356.1575 
1 1 1    4   25   23 f  639.045  200.698   6.5931   4.4737   8.1107   4.9411  -0.3094   10.538  700.633  209.224  645.520  280.390 55.11328 349.8477 
1 1 1    4   25   25 o  490.632  190.940   2.5807   4.2181  -0.3900   4.5973   18.393   10.606  428.107  185.575  1021.68  306.866 -593.5757 358.6154 
1 1 1    4   25   27 o  340.805  159.701  -4.0825   4.2852  -3.0332   4.6092 -10.7685   11.635  375.107  172.209  548.350  258.870 -173.2434 310.9172 
1 1 1    4   25   29 o  912.868  181.471   14.101   5.0045   9.2973   5.5049   36.979   12.014  737.291  220.990  1440.19  276.452 -702.9040 353.9246 
1 1 1    4   25   31 o  669.293  209.116   7.5908   4.8639   6.1940   5.2930   15.173   12.332  626.519  219.011  921.992  333.060 -295.4730 398.6165 
1 1 1    4   25   33 o  403.158  181.404  -1.7324   4.8037  -5.1951   5.1386   22.266   13.528  363.241  171.652  1053.29  350.545 -690.0511 390.3152 
1 1 1    4   25   35 o  747.638  280.810   9.3849   8.9110   22.279   11.240 -12.4373   14.621  1052.87  315.816  587.005  280.821 465.8630 422.6111 
1 1 1    4   25   37 o  838.522  282.021   13.704   8.7545   10.588   11.022   19.030   14.410  777.334  306.818  939.446  356.139 -162.1120 470.0773 
1 1 1    4   26    0 f  1132.98  233.485   21.167   8.0077   21.167   8.0077   0.0000   0.0000  1132.98  233.485  ?   ?  0.000000 233.4846 
1 1 1    4   26    2 o  765.976  215.272   9.5793   5.3776   6.5319   6.9043   14.279   8.5744  693.820  249.398  935.144  274.708 -241.3240 371.0311 
1 1 1    4   26    4 o  473.657  188.383   1.8578   4.1843  -0.1152   4.7678   8.4710   8.7289  448.299  191.578  783.145  280.536 -334.8459 339.7098 
1 1 1    4   26    6 o  398.144  175.267  -1.1636   4.2388  -1.2302   4.9363  -0.9765   8.2716  431.866  189.646  574.339  248.944 -142.4723 312.9514 
1 1 1    4   26    8 o  459.055  186.537   1.3466   4.1970   3.0203   4.7781  -4.3056   8.7808  531.333  204.196  542.073  244.457 -10.74036 318.5202 
1 1 1    4   26   10 o  812.993  206.830   10.918   5.2779   10.918   5.2779   0.0000   0.0000  812.993  206.830  ?   ?  0.000000 206.8296 
1 1 1    4   26   12 o  847.396  209.819   11.895   5.5379   11.895   5.5379   0.0000   0.0000  847.396  209.819  ?   ?  0.000000 209.8190 
1 1 1    4   26   14 o  810.190  194.577   10.872   4.8742   9.7600   5.5951   14.374   9.9267  771.106  220.591  942.596  299.318 -171.4901 371.8220 
1 1 1    4   26   16 o  730.287  199.352   8.8078   4.6863   12.589   5.2910  -4.9591   10.095  870.610  198.493  576.144  260.756 294.4655 327.7092 
1 1 1    4   26   18 o  379.385  170.994  -2.1041   4.2893  -8.0999   4.7863   22.350   9.6661  316.524  153.687  1146.13  273.202 -829.6100 313.4632 
1 1 1    4   26   20 o  666.377  206.888   7.1707   4.7693   7.9616   5.2509   3.4424   11.400  700.512  217.016  731.700  303.418 -31.18854 373.0399 
1 1 1    4   26   22 o  941.568  184.563   14.744   5.2469   15.889   5.8961   10.388   11.502  974.261  199.973  856.116  319.530 118.1456 376.9472 
1 1 1    4   26   24 o  531.863  202.399   3.3901   4.6655   2.6443   5.1554   6.7648   10.966  527.016  209.261  771.037  305.502 -244.0209 370.2992 
1 1 1    4   26   26 o  566.022  207.340   4.4037   4.8030   6.3189   5.2564  -5.2844   11.822  638.398  218.510  612.238  279.076 26.16046 354.4429 
1 1 1    4   26   28 o  754.239  269.940   8.8770   8.0802  -1.9470   10.395   25.404   12.844  607.945  270.679  1169.96  334.063 -562.0168 429.9596 
1 1 1    4   26   30 o  622.787  215.423   6.0826   5.1145   2.0185   5.4893   32.833   14.083  516.635  212.015  1313.34  339.849 -796.7058 400.5591 
1 1 1    4   26   32 o  792.123  209.836   10.958   5.2875   9.2901   5.7199   20.755   13.864  732.973  226.407  1037.21  354.870 -304.2348 420.9429 
1 1 1    4   26   34 o  362.545  167.847  -3.2189   4.5118  -1.8662   4.7311 -16.8039   14.993  397.029  179.206  572.531  276.518 -175.5020 329.5107 
1 1 1    4   26   36 o  439.322  196.320  -1.2601   5.5222  -1.4685   5.9612   0.0000   14.660  452.788  203.038  695.318  314.505 -242.5302 374.3499 
1 1 1    4   27    1 o  482.576  217.230  -3.3369   6.8971  -3.3369   6.8971   0.0000   0.0000  482.576  217.230  ?   ?  0.000000 217.2304 
1 1 1    4   27    3 o  652.012  267.277   2.5150   8.7119   0.0000   0.0000   2.5150   8.7119  ?   ?   652.012  267.277 0.000000 267.2770 
1 1 1    4   27    5 o  790.305  260.397   9.6198   7.4716   9.6198   7.4716   0.0000   0.0000  790.305  260.397  ?   ?  0.000000 260.3971 
1 1 1    4   27    7 o  663.750  252.984   5.0278   7.2962   5.0278   7.2962   0.0000   0.0000  663.750  252.984  ?   ?  0.000000 252.9836 
1 1 1    4   27    9 o  634.242  209.853   6.1219   4.8507   7.2691   5.5193   2.2287   10.168  685.802  223.701  688.537  286.120 -2.734680 363.1897 
1 1 1    4   27   11 o  1231.28  197.475   24.724   7.3562   32.955   9.2617   10.658   12.107  1421.20  214.826  889.850  328.670 531.3490 392.6506 
1 1 1    4   27   13 o  979.824  180.764   15.740   5.3417   17.667   6.1144   9.5273   10.978  1036.21  195.616  844.339  312.743 191.8725 368.8816 
1 1 1    4   27   15 o  602.783  208.961   5.2940   4.8135   4.5054   5.4068   8.3073   10.569  593.331  219.542  808.784  305.388 -215.4540 376.1120 
1 1 1    4   27   17 o  626.263  210.005   5.9765   4.8542   10.492   5.4572 -11.1339   10.623  793.717  214.485  524.422  247.509 269.2946 327.5129 
1 1 1    4   27   19 o  456.518  191.527   0.6470   4.6199  -1.0317   5.1267   7.9008   10.657  441.834  193.665  796.796  305.254 -354.9612 361.5054 
1 1 1    4   27   21 o  998.667  175.252   16.432   5.2804   12.044   5.8672   35.136   12.113  845.323  219.659  1432.81  280.025 -587.4844 355.8993 
1 1 1    4   27   23 o  923.772  194.293   14.295   5.4419   12.484   5.9768   23.079   13.160  858.193  221.061  1141.28  341.603 -283.0820 406.8912 
1 1 1    4   27   25 o  370.751  174.731  -5.4963   5.2594  -1.0542   5.8050 -25.8542   12.427  468.241  205.637  467.775  231.221 0.4660645 309.4346 
1 1 1    4   27   27 o  582.020  214.687   4.6218   5.1623   5.1740   5.5585   1.1564   13.924  608.622  223.034  742.788  322.473 -134.1668 392.0881 
1 1 1    4   27   29 o  563.801  213.277   4.0850   5.1610   2.3045   5.6171   13.731   13.074  530.267  215.675  919.644  341.171 -389.3775 403.6253 
1 1 1    4   27   31 o  679.269  241.218   7.2036   6.4402   11.179   7.0788 -11.8935   15.515  802.968  252.505  634.818  299.463 168.1498 391.7101 
1 1 1    4   27   33 o  372.720  177.170  -6.3029   5.6304  -4.4543   6.1146 -16.6064   14.436  418.371  194.291  566.732  273.128 -148.3603 335.1835 
1 1 1    4   28    0 o  641.683  251.542   4.0206   7.3611   4.0206   7.3611   0.0000   0.0000  641.683  251.542  ?   ?  0.000000 251.5416 
1 1 1    4   28    2 o  884.701  222.561   12.964   6.1599   12.964   6.1599   0.0000   0.0000  884.701  222.561  ?   ?  0.000000 222.5611 
1 1 1    4   28    4 o  736.828  238.146   8.4672   6.2627   14.092   8.2535   0.8333   9.6153  925.618  268.839  648.658  274.437 276.9596 384.1742 
1 1 1    4   28    6 o  850.052  204.647   11.959   5.3817   10.803   6.3500   14.907   10.139  812.711  235.741  960.549  302.223 -147.8378 383.2917 
1 1 1    4   28    8 o  457.392  206.267  -3.1062   6.2514  -4.4206   8.1113  -1.1833   9.8107  513.950  233.068  621.562  270.264 -107.6123 356.8800 
1 1 1    4   28   10 o  925.972  247.314   14.287   7.3063   14.827   9.3345   13.431   11.740  950.076  288.448  941.389  326.332 8.686401 435.5397 
1 1 1    4   28   12 o  745.171  221.370   9.0433   5.5420   9.5730   6.3050   7.2432   11.623  770.365  237.662  812.232  316.716 -41.86725 395.9702 
1 1 1    4   28   14 o  626.229  214.615   5.8107   5.0707   3.2914   5.7274   14.946   10.906  569.402  222.246  962.498  314.479 -393.0959 385.0849 
1 1 1    4   28   16 o  347.364  165.074  -6.0030   4.8817  -4.6664   5.4206 -11.7412   11.231  393.215  182.716  539.506  254.588 -146.2912 313.3690 
1 1 1    4   28   18 o  787.321  209.612   10.336   5.2593   14.511   5.8722  -6.5888   11.823  932.319  206.584  609.718  278.376 322.6010 346.6560 
1 1 1    4   28   20 o  996.561  186.666   16.426   5.6108   20.430   6.2712   0.3589   12.561  1114.38  186.298  715.433  308.438 398.9500 360.3344 
1 1 1    4   28   22 o  733.167  218.263   8.8850   5.3834   6.7374   5.9667   18.286   12.483  670.209  232.631  1037.37  336.320 -367.1639 408.9355 
1 1 1    4   28   24 o  504.305  206.144   1.7257   5.1641   4.9286   5.6441 -14.7364   12.796  607.278  224.386  555.989  265.073 51.28870 347.2933 
1 1 1    4   28   26 o  656.810  237.417   6.2020   6.2675   11.038   7.0625 -11.7242   13.598  811.014  251.755  601.594  282.727 209.4197 378.5693 
1 1 1    4   28   28 o  406.004  188.018  -4.3070   5.6669  -3.8319   6.1899  -6.7672   14.086  436.227  200.009  656.877  301.377 -220.6501 361.7065 
1 1 1    4   28   30 o  627.954  239.923   5.0892   6.5724  -0.5997   7.3164   28.871   14.959  530.382  231.944  1231.07  363.189 -700.6871 430.9344 
1 1 1    4   29    1 o  354.580  167.383  -5.4865   4.8628  -6.7433   5.4843  -0.8651   10.517  369.035  175.253  649.833  281.185 -280.7987 331.3284 
1 1 1    4   29    3 o  404.296  189.456  -6.0346   6.0312  -6.0346   6.0312   0.0000   0.0000  404.296  189.456  ?   ?  0.000000 189.4557 
1 1 1    4   29    5 o  826.644  257.455   10.961   7.3790   3.7033   9.6104   21.386   11.518  699.210  282.927  1128.56  314.297 -429.3502 422.8829 
1 1 1    4   29    7 o  854.151  208.325   12.091   5.5219   9.4456   6.3360   20.446   11.261  768.135  238.457  1104.09  311.936 -335.9519 392.6400 
1 1 1    4   29    9 o  478.580  213.254  -2.3793   6.4662  -2.2607   8.0769  -2.5910   10.791  544.435  240.685  632.242  278.918 -87.80640 368.4080 
1 1 1    4   29   11 o  726.062  224.714   8.4485   5.6315   12.045   6.3934  -4.0022   11.895  852.287  232.926  647.213  288.756 205.0739 370.9919 
1 1 1    4   29   13 o  709.973  258.806   6.8092   7.4704   6.5315   9.6929   7.2154   11.724  754.646  290.622  813.520  317.850 -58.87451 430.6849 
1 1 1    4   29   15 o  725.560  261.033   7.3694   7.5651   4.4910   9.2698   13.109   13.090  701.315  279.930  948.872  343.096 -247.5573 442.8044 
1 1 1    4   29   17 o  624.631  222.098   5.5037   5.4614   9.5811   6.0179 -13.5353   13.004  765.917  231.394  579.070  273.466 186.8470 358.2278 
1 1 1    4   29   19 f  459.694  199.000  -0.5116   5.2722   1.2625   5.7341 -10.2116   13.408  518.060  215.038  619.719  287.766 -101.6597 359.2364 
1 1 1    4   29   21 o  1291.97  165.311   27.054   6.5343   28.094   7.3579   23.176   14.213  1311.74  184.219  1156.34  356.845 155.3989 401.5905 
1 1 1    4   29   23 o  464.479  209.005  -2.7691   6.3776  -0.3570   7.2511 -11.0104   13.403  540.424  233.663  608.215  284.181 -67.79156 367.9090 
1 1 1    4   29   25 o  744.315  247.936   8.8254   6.7669   7.1829   7.6935   14.438   14.222  715.096  262.343  968.911  356.505 -253.8145 442.6279 
1 1 1    4   29   27 o  813.822  227.610   11.252   6.0270   11.813   6.5982   8.4306   14.808  833.169  239.908  868.971  351.346 -35.80157 425.4404 
1 1 1    4   30    0 o  618.437  224.249   5.0811   5.5979   5.1351   6.6111   4.9443   10.522  647.545  242.135  747.750  298.313 -100.2040 384.2137 
1 1 1    4   30    2 o  783.912  227.480   10.021   5.9117   13.723   6.8122  -1.2689   11.897  909.640  236.844  685.871  297.923 223.7695 380.5953 
1 1 1    4   30    4 o  632.040  238.709   4.7191   6.4587   4.7191   6.4587   0.0000   0.0000  632.040  238.709  ?   ?  0.000000 238.7094 
1 1 1    4   30    6 o  708.376  256.792   6.7695   7.3398   8.7281   9.3838   3.6827   11.780  799.773  290.289  757.116  310.634 42.65729 425.1597 
1 1 1    4   30    8 o  847.528  263.326   11.562   7.7246   10.056   10.028   13.761   12.114  841.704  300.776  955.552  331.479 -113.8485 447.5986 
1 1 1    4   30   10 o  714.818  232.017   7.9638   5.9400   7.6908   6.8022   8.8407   12.190  721.562  248.503  856.469  326.865 -134.9072 410.6024 
1 1 1    4   30   12 o  526.910  214.669   1.7969   5.5766   1.2800   6.3112   3.6380   11.910  542.864  225.489  757.346  311.723 -214.4822 384.7293 
1 1 1    4   30   14 f  380.450  178.227  -5.2867   5.3305  -5.7282   5.9133  -3.3725   12.314  402.173  188.185  666.883  295.881 -264.7095 350.6550 
1 1 1    4   30   16 o  750.394  270.739   7.8630   8.1448   1.9165   10.229   18.164   13.463  681.281  285.364  1057.47  349.593 -376.1935 451.2734 
1 1 1    4   30   18 o  862.118  340.493   7.9827   13.581   0.0000   0.0000   7.9827   13.581  ?   ?   862.118  340.493 0.000000 340.4934 
1 1 1    4   30   20 o  993.402  357.809   14.908   14.218   0.0000   0.0000   14.908   14.218  ?   ?   993.402  357.809 0.000000 357.8087 
1 1 1    4   30   22 o  538.967  218.886   2.1152   5.7748   6.3984   6.3150 -19.7563   14.270  669.117  238.729  565.228  272.196 103.8895 362.0524 
1 1 1    4   31    1 o  671.011  239.151   6.2245   6.3358   6.7869   7.2537   4.4146   13.013  707.819  255.481  801.447  327.377 -93.62811 415.2670 
1 1 1    4   31    3 o  499.606  216.276  -0.7203   6.2273  -2.4026   7.0543   5.2191   13.255  503.629  223.675  819.832  332.081 -316.2031 400.3856 
1 1 1    4   31    5 o  1197.11  296.531   24.064   11.058   24.064   11.058   0.0000   0.0000  1197.11  296.531  ?   ?  0.000000 296.5306 
1 1 1    4   31    7 o  374.527  178.552  -7.5498   5.8046  -5.9561   6.5761 -13.1716   12.351  430.146  200.334  566.843  267.333 -136.6968 334.0670 
1 1 1    4   31    9 o  1074.78  204.783   18.977   6.6401   17.017   7.6204   25.158   13.533  1010.80  243.626  1220.55  340.969 -209.7454 419.0631 
1 1 1    4   31   11 o  1035.71  245.949   17.894   7.8575   23.587   9.3157   3.8579   14.627  1189.03  257.655  828.341  343.610 360.6843 429.4812 
1 1 1    4   31   13 o  403.909  193.400  -9.5666   6.9695 -11.1546   7.9627  -4.3658   14.411  428.976  205.751  715.691  318.673 -286.7144 379.3233 
1 1 1    4   31   15 o  783.364  265.043   9.3460   7.7326   6.1602   9.0460   17.990   14.901  732.301  281.073  1070.77  367.856 -338.4658 462.9473 
1 1 1    4   31   17 o  511.841  217.363   0.3081   6.0680   0.4446   6.6113  -0.4218   15.285  535.876  227.189  782.095  338.703 -246.2189 407.8413 
1 1 1    4   31   19 o  458.223  205.002  -2.4189   6.0400  -3.7691   6.5238   5.6843   15.982  457.310  208.011  875.710  360.846 -418.4008 416.5072 
1 1 1    4   32    0 o  623.499  239.110   4.2548   6.5431   7.1129   7.6854  -3.2738   12.474  726.751  262.872  677.933  299.434 48.81805 398.4497 
1 1 1    4   32    2 o  442.485  202.879  -4.4575   6.3689   0.8005   7.1679 -24.1757   13.881  566.572  238.177  532.181  259.155 34.39105 351.9792 
1 1 1    4   32    4 f  656.743  260.581   3.8289   7.9887   8.8954   10.116  -4.5665   13.022  820.170  300.834  677.923  302.314 142.2463 426.4911 
1 1 1    4   32    6 o  615.731  238.416   3.9507   6.5509   10.030   7.4351 -17.1422   13.850  801.512  259.526  580.697  276.554 220.8155 379.2570 
1 1 1    4   32    8 o  356.194  177.962 -21.9965   8.1902 -18.3770   10.051 -29.1488   14.129  447.603  218.528  509.345  250.776 -61.74127 332.6304 
1 1 1    4   32   10 o  393.752  191.042 -12.3361   7.3590  -8.3142   8.5178 -24.1748   14.614  481.477  225.472  552.750  268.422 -71.27371 350.5540 
1 1 1    4   32   12 o  630.601  240.393   4.5275   6.5888  -0.8673   7.3813   25.682   14.617  542.166  235.082  1233.57  357.613 -691.4092 427.9612 
1 1 1    5    0    5 o  4838.92   18.378  366.621   2.7845  366.621   2.7845  366.621   2.7845  4838.92   18.378  4838.92   18.378 -0.000000 0.000000 
1 1 1    5    0    7 o  2149.97  108.497   73.016   7.2617   73.016   7.2617   73.016   7.2617  2149.97  108.497  2149.97  108.497 -0.000000 0.000000 
1 1 1    5    0    9 o  749.024   94.539   9.2051   2.1213   9.2051   2.1213   9.2051   2.1213  749.024   94.539  749.024   94.539 -0.000000 0.000000 
1 1 1    5    0   11 f  708.070   94.757   8.2727   1.9954   8.2727   1.9954   8.2727   1.9954  708.070   94.757  708.070   94.757 -0.000000 0.000000 
1 1 1    5    0   13 o  1411.83  139.815   32.253   6.0418   32.253   6.0418   32.253   6.0418  1411.83  139.815  1411.83  139.815 -0.000000 0.000000 
1 1 1    5    0   15 o  369.435  115.972   2.6897   1.1778   2.6897   1.1778   2.6897   1.1778  369.435  115.972  369.435  115.972 -0.000000 0.000000 
1 1 1    5    0   17 o  2549.20  167.641  103.955   13.249  103.955   13.249  103.955   13.249  2549.20  167.641  2549.20  167.641 -0.000000 0.000000 
1 1 1    5    0   19 o  2343.32  112.783   86.943   8.2318   86.943   8.2318   86.943   8.2318  2343.32  112.783  2343.32  112.783 -0.000000 0.000000 
1 1 1    5    0   21 f  2130.49  156.223   72.892   10.293   72.892   10.293   72.892   10.293  2130.49  156.223  2130.49  156.223 -0.000000 0.000000 
1 1 1    5    0   23 o  879.097   94.786   12.570   2.5324   12.570   2.5324   12.570   2.5324  879.097   94.786  879.097   94.786 -0.000000 0.000000 
1 1 1    5    0   27 o  2126.95  109.757   72.064   7.2654   72.064   7.2654   72.064   7.2654  2126.95  109.757  2126.95  109.757 -0.000000 0.000000 
1 1 1    5    0   29 o  2709.86  122.446  117.114   10.342  117.114   10.342  117.114   10.342  2709.86  122.446  2709.86  122.446 -0.000000 0.000000 
1 1 1    5    0   31 o  182.950  110.824   0.5034   1.1729   0.5034   1.1729   0.5034   1.1729  182.950  110.824  182.950  110.824 -0.000000 0.000000 
1 1 1    5    0   33 o  373.587  207.258   3.1953   3.5695   3.1953   3.5695   3.1953   3.5695  373.587  207.258  373.587  207.258 -0.000000 0.000000 
1 1 1    5    0   39 o  2019.41  158.863   66.388   9.9023   66.388   9.9023   66.388   9.9023  2019.41  158.863  2019.41  158.863 -0.000000 0.000000 
1 1 1    5    0   41 o  960.995  174.748   16.131   4.7432   16.131   4.7432   16.131   4.7432  960.995  174.748  960.995  174.748 -0.000000 0.000000 
1 1 1    5    0   49 o  1855.05  165.264   56.906   9.4244   56.906   9.4244   56.906   9.4244  1855.05  165.264  1855.05  165.264 -0.000000 0.000000 
1 1 1    5    0   51 o  1044.46  204.736   19.843   5.9609   19.843   5.9609   19.843   5.9609  1044.46  204.736  1044.46  204.736 -0.000000 0.000000 
1 1 1    5    0   55 o  1913.08  178.706   62.629   10.490   62.629   10.490   62.629   10.490  1913.08  178.706  1913.08  178.706 -0.000000 0.000000 
1 1 1    5    1    4 o  155.180   59.058   0.2596   0.3973  -0.1490   0.5541   0.6916   0.5698  144.878   63.582  216.306   71.942 -71.42856 96.01230 
1 1 1    5    1    6 o  1932.92   69.967   58.558   4.2347   62.148   5.9891   54.969   5.9885  1990.33   96.099  1868.76  102.735 121.5636 140.6752 
1 1 1    5    1    8 o  5408.71  154.855  460.910   26.226  458.326   32.120  466.079   45.427  5384.84  190.495  5404.99  268.413 -20.14697 329.1416 
1 1 1    5    1   10 f  3333.41  109.106  174.685   11.388  177.442   13.948  169.171   19.723  3356.30  132.721  3260.35  194.075 95.95264 235.1171 
1 1 1    5    1   12 o  5377.35  134.237  456.575   22.603  445.492   31.963  467.661   31.967  5287.86  193.042  5420.09  188.353 -132.2227 269.7072 
1 1 1    5    1   14 o  2423.22  112.961   92.671   8.5711   0.0000   0.0000   92.671   8.5711  ?   ?   2423.22  112.961 0.000000 112.9605 
1 1 1    5    1   16 o  2683.17   97.006  113.528   8.1501  109.846   9.9789  120.906   14.125  2634.05  120.987  2745.77  165.052 -111.7122 204.6458 
1 1 1    5    1   18 f  470.368   77.141   3.5714   1.0968   3.3640   1.8667   3.6807   1.3554  453.884  126.577  474.846   94.481 -20.96170 157.9508 
1 1 1    5    1   20 o  1997.97  105.679   63.378   6.5879   60.301   9.3028   66.473   9.3308  1933.33  154.972  2033.14  147.572 -99.81323 213.9952 
1 1 1    5    1   22 o  2673.53  120.019  114.065   10.047  114.065   10.047   0.0000   0.0000  2673.53  120.019  ?   ?  0.000000 120.0193 
1 1 1    5    1   24 o  1596.66   69.885   40.284   3.4939   37.855   4.9227   42.750   4.9598  1536.29  102.928  1635.00   97.319 -98.71069 141.6516 
1 1 1    5    1   26 o  714.905   81.690   8.2367   1.7958   9.2615   3.0665   7.7017   2.2155  741.377  137.149  684.102  106.926 57.27466 173.9049 
1 1 1    5    1   28 o  2483.08   96.159   99.191   7.4765   94.184   12.930  101.707   9.1639  2340.06  177.787  2498.20  117.149 -158.1323 212.9131 
1 1 1    5    1   30 o  1548.87  149.421   40.775   7.1568   0.0000   0.0000   40.775   7.1568  ?   ?   1548.87  149.421 0.000000 149.4210 
1 1 1    5    1   32 o  1441.86   72.887   33.384   3.2801   34.199   4.7110   32.617   4.5696  1440.22  105.191  1406.85  104.479 33.36841 148.2598 
1 1 1    5    1   34 o  1694.40   85.688   46.812   4.5315   45.768   7.7385   47.357   5.5902  1604.15  156.036  1686.28  106.417 -82.13049 188.8696 
1 1 1    5    1   36 o  1458.04  104.875   35.445   4.7561   34.888   6.8345   35.969   6.6227  1393.01  159.566  1424.17  150.805 -31.15112 219.5529 
1 1 1    5    1   38 o  1882.28  166.424   63.967   9.7078   63.967   9.7078   0.0000   0.0000  1882.28  166.424  ?   ?  0.000000 166.4239 
1 1 1    5    1   40 o  882.112  171.324   14.531   4.5616   14.531   4.5616   0.0000   0.0000  882.112  171.324  ?   ?  0.000000 171.3237 
1 1 1    5    1   42 o  383.513  159.353   1.5595   3.1535   1.5595   3.1535   0.0000   0.0000  383.513  159.353  ?   ?  0.000000 159.3526 
1 1 1    5    1   44 o  3061.39  144.297  170.569   13.832  176.680   19.635  164.549   19.489  2857.95  221.135  2726.62  230.428 131.3347 319.3705 
1 1 1    5    1   46 o  706.060  147.946   9.5531   3.1662   2.6651   4.7261   15.162   4.2647  438.519  189.123  880.717  160.560 -442.1978 248.0868 
1 1 1    5    1   48 o  575.094  160.853   7.0905   3.0100   8.8872   4.5538   5.6966   4.0111  587.214  203.264  491.074  187.478 96.13965 276.5222 
1 1 1    5    1   50 o  2117.84  141.475   96.741   9.3279   96.282   13.308   97.184   13.079  1634.70  269.372  1688.98  255.258 -54.28052 371.1040 
1 1 1    5    1   52 o  319.671  154.174   2.0588   4.6207   2.0588   4.6207   0.0000   0.0000  319.671  154.174  ?   ?  0.000000 154.1739 
1 1 1    5    1   54 o  553.754  234.243   29.182   7.0030   0.0000   0.0000   29.182   7.0030  ?   ?   553.754  234.243 0.000000 234.2429 
1 1 1    5    1   56 o  1142.94  226.538   68.576   7.8209   68.667   11.228   68.490   10.900  425.690  211.995  446.169  219.787 -20.47986 305.3656 
1 1 1    5    1   58 o  679.238  270.224   78.918   8.6120   73.437   12.317   84.160   12.046  ?   ?   ?   ?  0.000000      ? 
1 1 1    5    2    3 o  649.800   44.402   6.6441   0.8980   7.3423   1.2692   5.9441   1.2708  681.937   60.050  612.196   67.412 69.74030 90.27961 
1 1 1    5    2    5 o  3094.27  128.299  150.433   12.431  152.377   17.574  148.487   17.585  3103.50  181.638  3063.03  184.207 40.46338 258.6981 
1 1 1    5    2    7 o  1030.77   91.962   16.801   2.9370   18.359   4.1492   15.237   4.1578  1073.51  125.824  974.291  140.337 99.21912 188.4839 
1 1 1    5    2    9 o  1515.37   78.171   36.116   3.6966   32.404   6.3930   37.980   4.5308  1426.75  145.120  1552.61   93.633 -125.8514 172.7048 
1 1 1    5    2   11 o  2671.76   96.819  112.200   8.0998  114.746   14.021  110.925   9.9233  2686.38  167.516  2653.82  119.417 32.55713 205.7234 
1 1 1    5    2   13 o  1397.45   67.250   30.653   2.9427   31.041   4.1624   30.266   4.1609  1401.25   95.434  1383.39   96.665 17.85791 135.8367 
1 1 1    5    2   15 o  608.001   95.503   5.9636   1.7583   0.0000   0.0000   5.9636   1.7583  ?   ?   608.001   95.503 0.000000 95.50328 
1 1 1    5    2   17 o  3146.18   90.456  155.992   8.9112  151.407   12.600  160.581   12.605  3088.76  130.277  3182.19  126.501 -93.42578 181.5886 
1 1 1    5    2   19 o  1229.74   75.535   23.890   2.8945   25.745   5.0286   22.971   3.5397  1266.44  128.592  1202.63   94.764 63.80835 159.7375 
1 1 1    5    2   21 o  2807.26  115.793  125.310   10.178   0.0000   0.0000  125.310   10.178  ?   ?   2807.26  115.793 0.000000 115.7926 
1 1 1    5    2   23 o  2265.98  161.409   84.170   11.378   84.170   11.378   0.0000   0.0000  2265.98  161.409  ?   ?  0.000000 161.4088 
1 1 1    5    2   25 o  1127.37   96.035   20.448   3.3578   19.179   4.6527   21.827   4.8508  1074.85  141.696  1149.47  137.500 -74.61621 197.4435 
1 1 1    5    2   27 o  1844.78   85.704   54.371   4.9507   55.900   8.5995   53.613   6.0546  1826.87  151.703  1819.03  106.767 7.838989 185.5078 
1 1 1    5    2   29 o  934.691   80.053   14.054   2.3203   18.067   4.1235   12.195   2.8069  1040.01  129.421  861.319  106.333 178.6882 167.5007 
1 1 1    5    2   31 o  1098.15   81.741   19.469   2.7906   20.558   3.5003   17.568   4.6229  1119.95  100.896  1007.32  151.238 112.6392 181.8043 
1 1 1    5    2   33 o  834.028  124.940   11.919   3.1624   11.843   4.0621   12.035   5.0388  805.894  166.482  786.140  203.212 19.75403 262.7000 
1 1 1    5    2   35 o  797.516   96.055   10.584   2.3505   10.424   3.9371   10.672   2.9299  746.382  171.995  786.753  122.954 -40.37097 211.4238 
1 1 1    5    2   37 o  1440.86  105.097   34.544   4.7089   34.787   6.7779   34.317   6.5470  1396.38  157.783  1392.13  152.697 4.246460 219.5724 
1 1 1    5    2   39 o  1300.76  101.813   28.125   4.1137   33.313   6.0490   23.660   5.6111  1379.96  142.020  1144.76  160.984 235.2035 214.6749 
1 1 1    5    2   41 o  1674.41  109.206   47.309   5.6943   48.488   8.2452   46.233   7.8735  1624.13  164.395  1591.64  160.157 32.49292 229.5126 
1 1 1    5    2   43 o  1894.24  178.541   69.345   10.465   69.345   10.465   0.0000   0.0000  1894.24  178.541  ?   ?  0.000000 178.5407 
1 1 1    5    2   45 o  1189.06  184.650   28.491   6.6520   28.491   6.6520   0.0000   0.0000  1189.06  184.650  ?   ?  0.000000 184.6502 
1 1 1    5    2   47 o  2249.96  217.457  117.773   15.129  117.773   15.129   0.0000   0.0000  2249.96  217.457  ?   ?  0.000000 217.4569 
1 1 1    5    2   49 o  767.115  230.915   18.078   6.0010   18.078   6.0010   0.0000   0.0000  767.115  230.915  ?   ?  0.000000 230.9155 
1 1 1    5    2   51 o  882.077  261.546   34.458   7.7417   34.458   7.7417   0.0000   0.0000  882.077  261.546  ?   ?  0.000000 261.5461 
1 1 1    5    2   53 o  843.692  170.189   21.164   4.3410   28.923   6.6913   15.525   5.7043  682.497  245.500  473.900  206.070 208.5976 320.5231 
1 1 1    5    2   55 f  751.530  200.361   24.755   4.8010   24.378   7.2833   25.045   6.3844  401.197  193.510  477.181  212.319 -75.98425 287.2723 
1 1 1    5    2   57 o  883.228  240.245   53.623   6.8204   56.118   10.049   51.492   9.2870  368.089  185.644  383.999  191.485 -15.91022 266.7022 
1 1 1    5    2   59 o  423.847  194.344   35.589   5.8454   42.491   8.8247   30.193   7.8025  ?   ?   ?   ?  0.000000      ? 
1 1 1    5    3    0 o  114.322   47.969   0.0253   0.2899   0.0000   0.4872   0.0392   0.3606  144.980   61.579  128.196   53.629 16.78322 81.65834 
1 1 1    5    3    2 o  136.673   55.037   0.1271   0.3618   0.2565   0.5703   0.0400   0.4680  176.064   69.696  145.169   60.934 30.89508 92.57693 
1 1 1    5    3    4 o  774.333   54.371   9.4395   1.3099   11.056   1.8526   7.8229   1.8524  836.863   71.382  701.056   86.203 135.8065 111.9208 
1 1 1    5    3    6 o  5867.95  143.550  541.797   26.376  538.438   37.301  545.155   37.301  5834.84  204.159  5871.48  202.890 -36.64795 287.8289 
1 1 1    5    3    8 o  4173.54  109.751  273.678   14.343  270.203   20.282  277.154   20.285  4139.37  156.483  4192.65  154.514 -53.27930 219.9122 
1 1 1    5    3   10 o  603.754   64.478   5.7811   1.2001   5.1379   1.7076   6.4090   1.6870  563.377  100.482  632.927   87.460 -69.55090 133.2134 
1 1 1    5    3   12 o  3212.54  107.319  162.553   10.795  158.992   13.218  169.687   18.710  3172.06  133.076  3258.45  184.127 -86.39429 227.1825 
1 1 1    5    3   14 o  585.523   76.279   5.4785   1.3653   5.2488   1.6820   5.9221   2.3377  569.282   97.886  600.545  128.215 -31.26337 161.3097 
1 1 1    5    3   16 o  825.754   74.231   10.806   1.8988   10.338   3.2645   11.045   2.3343  796.357  135.787  832.428   91.041 -36.07135 163.4825 
1 1 1    5    3   18 o  986.544   89.260   15.465   2.7275   0.0000   0.0000   15.465   2.7275  ?   ?   986.544   89.260 0.000000 89.25995 
1 1 1    5    3   20 o  1900.34   99.335   57.277   5.8903   0.0000   0.0000   57.277   5.8903  ?   ?   1900.34   99.335 0.000000 99.33478 
1 1 1    5    3   22 o  1852.21  104.013   54.703   6.0081   52.535   8.4430   56.927   8.5514  1796.91  151.469  1873.00  146.989 -76.09058 211.0651 
1 1 1    5    3   24 o  1771.15   82.098   49.771   4.5531   49.216   7.8697   50.050   5.5822  1731.04  146.566  1767.31  101.296 -36.26697 178.1638 
1 1 1    5    3   26 o  1292.25   99.203   26.947   3.9835   26.606   5.5559   27.308   5.7143  1264.27  142.852  1279.79  145.165 -15.51990 203.6655 
1 1 1    5    3   28 o  228.005   87.506   0.5723   0.8768   2.6262   2.0559   0.1157   0.9693  407.379  136.669  208.391   87.594 198.9882 162.3300 
1 1 1    5    3   30 o  2158.98   91.737   75.133   6.2017   88.159   10.828   68.775   7.5653  2277.62  152.716  2042.96  118.776 234.6643 193.4683 
1 1 1    5    3   32 o  295.946  109.829   1.1745   1.3551   1.6325   2.4679   0.9768   1.6214  370.055  145.465  300.013  117.916 70.04248 187.2540 
1 1 1    5    3   34 o  822.038  170.751   12.483   4.2515   12.483   4.2515   0.0000   0.0000  822.038  170.751  ?   ?  0.000000 170.7505 
1 1 1    5    3   36 o  1346.09  106.979   30.227   4.4719   27.560   6.5426   32.566   6.1263  1224.73  175.632  1362.89  145.819 -138.1530 228.2756 
1 1 1    5    3   38 o  3217.24  228.799  206.274   22.899  206.274   22.899   0.0000   0.0000  3217.24  228.799  ?   ?  0.000000 228.7987 
1 1 1    5    3   40 o  1544.75  166.837   43.538   7.9417   43.538   7.9417   0.0000   0.0000  1544.75  166.837  ?   ?  0.000000 166.8366 
1 1 1    5    3   42 o  1911.54  118.091   62.696   7.0337   55.164   10.142   69.676   9.7629  1668.64  197.975  1943.10  161.936 -274.4521 255.7680 
1 1 1    5    3   44 o  3547.86  168.013  239.529   18.665  223.605   26.504  255.196   26.290  2954.59  290.227  3294.50  256.878 -339.9026 387.5802 
1 1 1    5    3   46 o  1974.05  123.946   69.607   7.6225   60.412   11.010   78.071   10.563  1642.25  219.613  1982.93  171.827 -340.6803 278.8448 
1 1 1    5    3   48 o  2107.14  232.413  115.511   15.079  115.511   15.079   0.0000   0.0000  2107.14  232.413  ?   ?  0.000000 232.4125 
1 1 1    5    3   50 o  731.267  246.587   21.477   6.6930   21.477   6.6930   0.0000   0.0000  731.267  246.587  ?   ?  0.000000 246.5867 
1 1 1    5    3   52 o  883.323  293.312   50.898   9.4732   50.898   9.4732   0.0000   0.0000  883.323  293.312  ?   ?  0.000000 293.3124 
1 1 1    5    3   54 o  308.214  153.303   5.0702   5.7971   5.0702   5.7971   0.0000   0.0000  308.214  153.303  ?   ?  0.000000 153.3027 
1 1 1    5    3   56 o  659.684  212.354   25.669   4.9835   26.529   7.8874   25.097   6.4294  351.668  175.540  418.165  195.845 -66.49655 263.0007 
1 1 1    5    3   58 o  326.273  155.849   13.950   4.4674   13.167   7.6983   14.347   5.4855  ?   ?   284.884  142.819 0.000000 142.8186 
1 1 1    5    4    1 o  6782.28  224.487  727.693   47.674  672.565   67.396  782.905   67.447  6472.02  333.701  7003.20  307.574 -531.1870 453.8256 
1 1 1    5    4    3 o  1190.16   93.332   22.355   3.4503   21.770   4.8711   22.944   4.8878  1169.07  135.585  1201.10  132.148 -32.02856 189.3313 
1 1 1    5    4    5 o  4322.74  112.998  293.483   15.295  290.150   21.630  296.815   21.631  4291.14  160.978  4340.46  159.154 -49.31982 226.3713 
1 1 1    5    4    7 o  2189.70   76.575   75.201   5.2503   77.253   7.4265   73.150   7.4237  2217.53  106.954  2154.80  110.396 62.72607 153.7093 
1 1 1    5    4    9 o  698.753   73.115   7.7432   1.5760   7.0280   2.7100   8.1087   1.9373  655.665  136.440  713.150   88.672 -57.48578 162.7227 
1 1 1    5    4   11 o  2317.94  108.339   84.611   7.8632   74.302   11.100   94.993   11.140  2157.73  165.558  2446.00  146.121 -288.2734 220.8186 
1 1 1    5    4   13 o  2317.84   89.914   84.542   6.5257   78.217   11.286   87.718   7.9984  2210.57  164.216  2358.28  108.316 -147.7039 196.7215 
1 1 1    5    4   15 o  669.693   90.383   7.1891   1.8469   0.0000   0.0000   7.1891   1.8469  ?   ?   669.693   90.383 0.000000 90.38274 
1 1 1    5    4   17 o  631.012   92.905   6.4092   1.7807   0.0000   0.0000   6.4092   1.7807  ?   ?   631.012   92.905 0.000000 92.90476 
1 1 1    5    4   19 o  1699.77   98.369   45.806   5.2132   49.018   7.4217   42.678   7.3244  1748.66  136.630  1628.45  145.164 120.2045 199.3501 
1 1 1    5    4   21 o  3827.54  145.453  235.511   17.432  206.146   24.616  265.057   24.691  3511.92  225.029  4017.74  196.265 -505.8174 298.5931 
1 1 1    5    4   23 o  2860.24   96.620  130.206   8.6533  129.329   14.994  130.643   10.596  2797.12  172.025  2853.28  118.601 -56.16406 208.9464 
1 1 1    5    4   25 o  1000.78   72.745   15.955   2.2640   16.392   3.9345   15.739   2.7682  996.731  129.098  989.368   90.354 7.363098 157.5761 
1 1 1    5    4   27 o  1016.04   91.802   16.660   2.8891   18.546   4.1932   14.956   3.9863  1057.67  129.306  944.282  138.974 113.3876 189.8256 
1 1 1    5    4   29 o  615.609  169.394   6.6939   3.3679   6.6939   3.3679   0.0000   0.0000  615.609  169.394  ?   ?  0.000000 169.3942 
1 1 1    5    4   31 o  461.727  163.918   3.4167   2.9738   3.4167   2.9738   0.0000   0.0000  461.727  163.918  ?   ?  0.000000 163.9183 
1 1 1    5    4   33 o  500.424  136.324   4.4200   2.1941   3.3892   3.2359   5.2973   2.9851  460.439  169.947  540.659  162.888 -80.22034 235.4029 
1 1 1    5    4   35 f  2257.18  121.622   86.022   8.5643   82.918   11.836   89.432   12.408  2128.19  179.279  2207.23  181.127 -79.04297 254.8492 
1 1 1    5    4   37 o  2811.60  134.281  134.790   11.822  133.653   16.453  136.004   16.998  2670.83  198.145  2681.28  203.988 -10.44629 284.3805 
1 1 1    5    4   39 o  1983.06  174.759   71.730   10.741   71.730   10.741   0.0000   0.0000  1983.06  174.759  ?   ?  0.000000 174.7592 
1 1 1    5    4   41 o  1724.30  174.641   55.440   9.2992   55.440   9.2992   0.0000   0.0000  1724.30  174.641  ?   ?  0.000000 174.6409 
1 1 1    5    4   43 o  294.540  139.096  -2.6511   3.3642  -2.6511   3.3642   0.0000   0.0000  294.540  139.096  ?   ?  0.000000 139.0960 
1 1 1    5    4   45 o  1019.29  205.716   22.013   6.3394   22.013   6.3394   0.0000   0.0000  1019.29  205.716  ?   ?  0.000000 205.7159 
1 1 1    5    4   47 o  582.902  215.850   8.6258   5.2285   8.6258   5.2285   0.0000   0.0000  582.902  215.850  ?   ?  0.000000 215.8502 
1 1 1    5    4   49 f  462.910  200.436   6.3776   5.3509   6.3776   5.3509   0.0000   0.0000  462.910  200.436  ?   ?  0.000000 200.4359 
1 1 1    5    4   51 o  1980.11  156.792   96.414   9.6419   85.880   13.983  105.964   13.313  992.863  355.130  1573.09  280.565 -580.2321 452.5860 
1 1 1    5    4   53 o  1392.32  158.971   54.242   6.8064   56.516   10.294   52.475   9.0730  713.978  291.355  856.237  287.109 -142.2581 409.0470 
1 1 1    5    5    0 o  1958.18  103.503   60.345   6.3238   67.014   8.9506   53.698   8.9357  2059.73  139.604  1840.37  156.550 219.3590 209.7550 
1 1 1    5    5    2 o  6422.65  219.766  653.248   44.197  656.040   62.504  650.456   62.503  6399.60  311.917  6371.67  313.280 27.92871 442.0826 
1 1 1    5    5    4 o  2692.04  119.209  113.889   10.049  113.202   14.220  114.574   14.202  2673.34  170.762  2689.78  169.493 -16.44360 240.5983 
1 1 1    5    5    6 o  1235.53   93.293   24.101   3.5827   17.747   5.0625   30.476   5.0708  1048.90  159.134  1387.20  117.857 -338.3007 198.0252 
1 1 1    5    5    8 o  1064.35   92.732   17.930   3.0596   17.006   4.3273   18.853   4.3267  1029.46  137.693  1086.19  129.782 -56.73328 189.2165 
1 1 1    5    5   10 o  942.945   93.353   14.116   2.7201   15.877   3.8301   12.324   3.8638  995.431  125.681  871.004  146.895 124.4270 193.3231 
1 1 1    5    5   12 o  3141.47   91.037  155.292   8.9550  151.198   12.663  159.386   12.665  3091.50  130.818  3174.96  127.396 -83.45508 182.6003 
1 1 1    5    5   14 f  2449.37   79.104   94.337   6.0669   89.304   8.5780   99.375   8.5819  2377.36  115.232  2508.99  109.236 -131.6309 158.7792 
1 1 1    5    5   16 o  2590.64   80.477  105.598   6.5282   99.255   9.2229  111.966   9.2417  2504.60  117.602  2661.70  110.885 -157.1023 161.6345 
1 1 1    5    5   18 o  448.892  124.355   3.2948   1.8081   0.0000   0.0000   3.2948   1.8081  ?   ?   448.892  124.355 0.000000 124.3555 
1 1 1    5    5   20 o  984.359   87.284   15.420   2.6624   0.0000   0.0000   15.420   2.6624  ?   ?   984.359   87.284 0.000000 87.28398 
1 1 1    5    5   24 o  1916.07  154.457   60.718   9.1882   60.718   9.1882   0.0000   0.0000  1916.07  154.457  ?   ?  0.000000 154.4574 
1 1 1    5    5   26 o  1543.72  147.139   39.659   7.0262   39.659   7.0262   0.0000   0.0000  1543.72  147.139  ?   ?  0.000000 147.1385 
1 1 1    5    5   28 o  1476.91  101.899   35.339   4.6836   33.476   6.5644   37.272   6.6844  1409.46  151.094  1492.01  144.906 -82.55066 209.3491 
1 1 1    5    5   30 o  2425.27  118.775   96.697   9.0199  111.457   12.780   82.050   12.732  2549.93  160.891  2148.86  191.217 401.0740 249.9000 
1 1 1    5    5   32 o  1729.55  105.699   49.313   5.6968   66.129   8.1580   33.310   7.9586  1975.93  132.624  1342.55  195.021 633.3768 235.8444 
1 1 1    5    5   34 o  1013.30  110.352   17.195   3.4447   21.998   5.0467   13.006   4.7135  1120.70  147.390  831.941  185.651 288.7543 237.0441 
1 1 1    5    5   36 o  755.601  150.116   10.146   3.4265   10.640   4.3875   9.3737   5.4863  751.045  187.222  685.919  222.998 65.12653 291.1703 
1 1 1    5    5   38 o  1380.52  124.397   32.282   5.3196   34.733   7.0181   28.972   8.1555  1395.36  163.739  1213.83  222.785 181.5387 276.4843 
1 1 1    5    5   40 o  2394.61  191.615  108.287   14.247  108.287   14.247   0.0000   0.0000  2394.61  191.615  ?   ?  0.000000 191.6150 
1 1 1    5    5   42 o  1101.18  187.059   23.484   6.2192   23.484   6.2192   0.0000   0.0000  1101.18  187.059  ?   ?  0.000000 187.0591 
1 1 1    5    5   44 o  2546.28  212.872  135.178   16.817  135.178   16.817   0.0000   0.0000  2546.28  212.872  ?   ?  0.000000 212.8721 
1 1 1    5    5   46 o  1375.69  198.438   40.087   8.3007   40.087   8.3007   0.0000   0.0000  1375.69  198.438  ?   ?  0.000000 198.4379 
1 1 1    5    5   48 o  1343.57  230.030   47.030   9.3295   47.030   9.3295   0.0000   0.0000  1343.57  230.030  ?   ?  0.000000 230.0303 
1 1 1    5    5   50 o  462.442  207.729   9.1855   6.2687   9.1855   6.2687   0.0000   0.0000  462.442  207.729  ?   ?  0.000000 207.7289 
1 1 1    5    5   52 o  714.082  198.154   17.397   4.5868   0.0000   0.0000   17.397   4.5868  ?   ?   714.082  198.154 0.000000 198.1536 
1 1 1    5    5   54 o  298.642  132.327   2.6088   2.4551   0.0000   0.0000   2.6088   2.4551  ?   ?   298.642  132.327 0.000000 132.3273 
1 1 1    5    5   56 o  251.813  118.559   1.6880   2.4104   0.0000   0.0000   1.6880   2.4104  ?   ?   251.813  118.559 0.000000 118.5589 
1 1 1    5    5   58 o  638.059  216.504   32.230   5.1599   42.119   9.5742   28.181   6.1256  ?   ?   375.897  180.337 0.000000 180.3373 
1 1 1    5    6    3 o  4248.42  226.302  287.725   29.996   0.0000   0.0000  287.725   29.996  ?   ?   4248.42  226.302 0.000000 226.3020 
1 1 1    5    6    7 o  2133.12  108.280   71.770   7.2087   74.166   10.194   69.373   10.195  2160.99  151.619  2088.54  157.039 72.44800 218.2878 
1 1 1    5    6    9 o  575.752   96.782   5.3551   1.6829   4.9478   2.3727   5.7676   2.3874  548.939  138.145  592.882  131.992 -43.94330 191.0649 
1 1 1    5    6   11 o  2464.70   91.633   95.586   7.0718   90.179   8.6551  106.445   12.266  2390.44  115.631  2585.29  152.195 -194.8542 191.1384 
1 1 1    5    6   13 o  2503.48   93.665   98.696   7.3424   94.753   8.9820  106.638   12.748  2448.96  117.131  2583.79  158.328 -134.8254 196.9454 
1 1 1    5    6   15 o  574.012   82.810   5.2898   1.4454   5.0656   1.7162   5.8368   2.6806  558.159  101.952  594.370  145.262 -36.21057 177.4693 
1 1 1    5    6   17 o  3068.82  186.218  152.301   17.809  152.301   17.809   0.0000   0.0000  3068.82  186.218  ?   ?  0.000000 186.2176 
1 1 1    5    6   19 o  737.250   80.746   8.6695   1.8335   8.6695   1.8335   0.0000   0.0000  737.250   80.746  ?   ?  0.000000 80.74617 
1 1 1    5    6   21 o  2389.80  166.152   93.421   12.356   93.421   12.356   0.0000   0.0000  2389.80  166.152  ?   ?  0.000000 166.1521 
1 1 1    5    6   23 o  825.377  157.677   11.504   3.9265   0.0000   0.0000   11.504   3.9265  ?   ?   825.377  157.677 0.000000 157.6773 
1 1 1    5    6   25 o  1454.90  145.625   35.091   6.5451   35.091   6.5451   0.0000   0.0000  1454.90  145.625  ?   ?  0.000000 145.6248 
1 1 1    5    6   27 f  486.920  119.318   4.0008   1.8050   3.2046   2.4212   4.9968   2.7080  446.782  148.282  540.130  153.102 -93.34793 213.1381 
1 1 1    5    6   29 o  676.685  114.452   7.6491   2.3386   8.1017   3.2015   7.1313   3.4243  682.076  153.596  634.788  169.203 47.28766 228.5193 
1 1 1    5    6   31 o  1160.81  104.645   22.181   3.7627   32.647   5.4566   12.691   5.1956  1395.25  126.265  820.239  203.312 575.0102 239.3295 
1 1 1    5    6   33 o  1266.10  105.683   26.538   4.1515   38.124   5.9957   15.868   5.7539  1499.93  128.913  908.314  206.925 591.6155 243.7959 
1 1 1    5    6   35 o  1009.34  116.369   17.109   3.6105   19.875   5.3007   14.715   4.9312  1054.50  166.025  893.175  182.484 161.3270 246.7083 
1 1 1    5    6   37 o  439.738  167.006   2.8298   3.1725   0.0003   3.8288   9.0275   5.6667  380.256  167.001  676.827  226.901 -296.5706 281.7327 
1 1 1    5    6   39 o  1994.18  123.717   67.233   7.6871   66.071   10.466   68.594   11.327  1904.80  177.521  1920.56  190.887 -15.75049 260.6749 
1 1 1    5    6   41 o  1849.10  179.181   63.827   10.244   63.827   10.244   0.0000   0.0000  1849.10  179.181  ?   ?  0.000000 179.1810 
1 1 1    5    6   45 o  2079.33  203.264   89.690   13.065   89.690   13.065   0.0000   0.0000  2079.33  203.264  ?   ?  0.000000 203.2645 
1 1 1    5    6   47 o  191.963   78.009   0.3098   0.7341   0.0000   0.0000   0.3098   0.7341  ?   ?   191.963   78.009 0.000000 78.00918 
1 1 1    5    6   49 o  203.679   84.555   0.3469   0.8867   0.0000   0.0000   0.3469   0.8867  ?   ?   203.679   84.555 0.000000 84.55513 
1 1 1    5    6   51 o  244.129  100.301   0.8469   1.2303   0.0000   0.0000   0.8469   1.2303  ?   ?   244.129  100.301 0.000000 100.3009 
1 1 1    5    6   53 o  ?   ?   -5.6204   0.3697   40.057   6.5164  -5.7679   0.3703  1078.47  200.342  ?   ?  0.000000 200.3415 
1 1 1    5    6   55 o  1106.47  166.560   39.997   5.5918   46.366   9.8434   36.962   6.7946  456.178  221.243  706.546  248.077 -250.3683 332.4009 
1 1 1    5    6   57 o  491.371  212.840   30.075   6.0383   0.0000   0.0000   30.075   6.0383  ?   ?   491.371  212.840 0.000000 212.8404 
1 1 1    5    7    0 o  2193.46  155.681   76.303   10.623   0.0000   0.0000   76.303   10.623  ?   ?   2193.46  155.681 0.000000 155.6812 
1 1 1    5    7    2 o  2413.91  112.881   91.641   8.5322   97.351   12.075   85.949   12.058  2478.04  156.423  2325.77  166.672 152.2671 228.5779 
1 1 1    5    7    4 o  3318.33  134.203  173.621   13.944  173.039   19.719  174.203   19.721  3295.28  191.942  3306.59  191.289 -11.30981 270.9860 
1 1 1    5    7    6 o  2781.53  120.691  121.927   10.512  135.773   14.874  108.112   14.858  2922.96  163.167  2601.93  183.539 321.0283 245.5811 
1 1 1    5    7    8 o  731.011   94.980   8.5450   2.1227   7.5400   3.0054   9.5453   2.9985  677.492  145.977  767.224  129.420 -89.73199 195.0873 
1 1 1    5    7   10 o  3045.02  183.932  148.576   17.455  148.576   17.455   0.0000   0.0000  3045.02  183.932  ?   ?  0.000000 183.9322 
1 1 1    5    7   12 o  1763.40  146.668   49.676   8.0250   49.676   8.0250   0.0000   0.0000  1763.40  146.668  ?   ?  0.000000 146.6678 
1 1 1    5    7   14 o  391.469  129.479   2.3124   1.8467   2.3124   1.8467   0.0000   0.0000  391.469  129.479  ?   ?  0.000000 129.4788 
1 1 1    5    7   16 o  745.520  141.630   9.1249   3.1853   9.1249   3.1853   0.0000   0.0000  745.520  141.630  ?   ?  0.000000 141.6299 
1 1 1    5    7   18 o  1049.79   72.439   17.428   2.3666   15.826   2.8235   21.212   4.3394  997.072   91.454  1148.99  122.504 -151.9175 152.8757 
1 1 1    5    7   20 o  1146.20   78.942   20.840   2.8160   18.840   3.3761   25.414   5.1048  1085.02  100.512  1252.68  132.137 -167.6593 166.0205 
1 1 1    5    7   22 o  1291.49  100.049   26.736   4.0144   26.236   5.5636   27.279   5.7981  1264.19  143.067  1287.99  146.364 -23.79700 204.6720 
1 1 1    5    7   24 o  406.715  122.975   2.7038   1.6992   2.7165   2.1962   2.6849   2.6819  418.748  141.253  431.996  155.419 -13.24844 210.0184 
1 1 1    5    7   26 o  1103.86  145.193   20.359   4.8968   20.359   4.8968   0.0000   0.0000  1103.86  145.193  ?   ?  0.000000 145.1931 
1 1 1    5    7   28 o  1157.43  104.022   21.796   3.7297   23.930   5.1913   19.520   5.3621  1194.84  141.503  1064.60  166.292 130.2375 218.3485 
1 1 1    5    7   30 o  2228.54  115.809   81.754   8.0534  104.260   11.425   59.528   11.354  2480.02  147.797  1811.00  203.756 669.0199 251.7152 
1 1 1    5    7   32 o  471.176  175.044   3.4449   3.4440   3.4449   3.4440   0.0000   0.0000  471.176  175.044  ?   ?  0.000000 175.0442 
1 1 1    5    7   34 o  511.526  153.098   4.6136   2.6434   7.4778   3.8989   2.1768   3.5962  635.242  184.854  431.815  173.652 203.4264 253.6253 
1 1 1    5    7   36 o  1709.65  112.149   48.350   5.9704   56.159   8.5479   40.911   8.3428  1802.94  152.851  1510.78  179.894 292.1649 236.0623 
1 1 1    5    7   38 o  1842.79  175.375   60.915   9.9975   60.915   9.9975   0.0000   0.0000  1842.79  175.375  ?   ?  0.000000 175.3754 
1 1 1    5    7   40 o  3185.95  145.250  176.631   14.490  162.281   20.169  191.940   20.832  2849.72  227.934  3142.52  212.960 -292.7983 311.9393 
1 1 1    5    7   48 o  1768.18  246.767   88.480   13.290   88.480   13.290   0.0000   0.0000  1768.18  246.767  ?   ?  0.000000 246.7674 
1 1 1    5    7   50 o  416.625  196.715   6.6300   6.7231   6.6300   6.7231   0.0000   0.0000  416.625  196.715  ?   ?  0.000000 196.7150 
1 1 1    5    7   52 o  730.131  296.212   51.382   10.564   51.382   10.564   0.0000   0.0000  730.131  296.212  ?   ?  0.000000 296.2117 
1 1 1    5    7   54 o  435.672  213.347   34.906   9.7968   34.906   9.7968   0.0000   0.0000  435.672  213.347  ?   ?  0.000000 213.3467 
1 1 1    5    7   56 o  ?   ?    9.0351   8.1647   9.0351   8.1647   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    5    8    1 f  3321.52  134.357  174.035   13.974  173.009   19.759  175.062   19.765  3293.38  192.438  3313.28  191.328 -19.89966 271.3643 
1 1 1    5    8    3 o  2951.09  125.478  137.313   11.595  133.646   16.395  140.982   16.400  2894.83  181.798  2974.95  176.851 -80.11890 253.6271 
1 1 1    5    8    5 o  4052.98  220.721  264.036   27.906   0.0000   0.0000  264.036   27.906  ?   ?   4052.98  220.721 0.000000 220.7209 
1 1 1    5    8    7 o  2408.81  163.234   92.546   12.239   92.546   12.239   0.0000   0.0000  2408.81  163.234  ?   ?  0.000000 163.2342 
1 1 1    5    8    9 o  1202.11  137.295   23.156   5.0752   23.156   5.0752   0.0000   0.0000  1202.11  137.295  ?   ?  0.000000 137.2946 
1 1 1    5    8   11 o  1762.10  146.544   49.578   8.0123   49.578   8.0123   0.0000   0.0000  1762.10  146.544  ?   ?  0.000000 146.5435 
1 1 1    5    8   13 o  1387.59   98.453   30.493   4.2499   29.871   5.9666   31.133   6.0550  1364.96  141.663  1394.02  140.639 -29.05786 199.6195 
1 1 1    5    8   15 o  1574.38  143.818   39.754   7.0116   39.754   7.0116   0.0000   0.0000  1574.38  143.818  ?   ?  0.000000 143.8184 
1 1 1    5    8   17 o  1963.43  105.031   61.186   6.4339   53.977   9.0261   68.632   9.1734  1827.44  159.333  2068.32  142.513 -240.8794 213.7686 
1 1 1    5    8   19 f  2814.72  181.193  129.863   15.885   0.0000   0.0000  129.863   15.885  ?   ?   2814.72  181.193 0.000000 181.1934 
1 1 1    5    8   21 o  1195.27   78.174   22.693   2.9097   21.451   3.4798   25.580   5.3049  1157.46   96.905  1251.43  137.655 -93.96765 168.3431 
1 1 1    5    8   23 o  678.053   91.574   7.4460   1.8945   8.1071   2.2063   5.5903   3.6964  705.111  102.965  578.179  182.550 126.9324 209.5865 
1 1 1    5    8   25 o  1104.26  103.527   19.718   3.5379   21.683   4.8784   17.539   5.1384  1144.49  138.979  1015.41  167.448 129.0822 217.6095 
1 1 1    5    8   27 o  1159.06  149.720   22.595   5.3068   22.595   5.3068   0.0000   0.0000  1159.06  149.720  ?   ?  0.000000 149.7204 
1 1 1    5    8   29 o  493.897  133.993   4.1837   2.1249   0.3283   2.9941   8.0958   3.0160  355.230  151.811  684.334  145.245 -329.1042 210.1021 
1 1 1    5    8   31 o  887.355  121.475   13.231   3.2866   13.651   4.7965   12.860   4.5124  867.077  182.443  844.669  176.306 22.40808 253.7105 
1 1 1    5    8   33 o  1072.68  115.728   19.158   3.8255   28.675   5.6450   11.076   5.2023  1296.82  141.303  761.604  210.921 535.2120 253.8787 
1 1 1    5    8   35 o  1404.04  112.965   32.565   4.9244   41.780   7.1989   24.462   6.7509  1562.48  148.944  1160.20  192.583 402.2860 243.4593 
1 1 1    5    8   37 o  733.301  195.400   10.090   4.5677   0.0000   0.0000   10.090   4.5677  ?   ?   733.301  195.400 0.000000 195.3995 
1 1 1    5    8   39 o  837.532  254.285   15.021   7.2543   0.0000   0.0000   15.021   7.2543  ?   ?   837.532  254.285 0.000000 254.2853 
1 1 1    5    8   41 o  1429.55  220.660   40.721   9.5594   0.0000   0.0000   40.721   9.5594  ?   ?   1429.55  220.660 0.000000 220.6601 
1 1 1    5    8   43 o  2273.44  201.895  101.551   14.223  101.551   14.223   0.0000   0.0000  2273.44  201.895  ?   ?  0.000000 201.8955 
1 1 1    5    8   45 o  450.947  199.831   1.8874   5.6000   1.8874   5.6000   0.0000   0.0000  450.947  199.831  ?   ?  0.000000 199.8305 
1 1 1    5    8   47 o  458.359  206.668   3.8320   6.2727   3.8320   6.2727   0.0000   0.0000  458.359  206.668  ?   ?  0.000000 206.6683 
1 1 1    5    8   49 o  596.407  249.259   17.335   7.7797   17.335   7.7797   0.0000   0.0000  596.407  249.259  ?   ?  0.000000 249.2586 
1 1 1    5    8   51 o  361.111  177.758   3.4905   7.0875   3.4905   7.0875   0.0000   0.0000  361.111  177.758  ?   ?  0.000000 177.7583 
1 1 1    5    8   53 f  470.513  226.591   32.495   9.8910   32.495   9.8910   0.0000   0.0000  470.513  226.591  ?   ?  0.000000 226.5912 
1 1 1    5    8   55 o  ?   ?   -1.2789   7.3634  -1.2789   7.3634   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    5    8   57 o  ?   ?    56.443   12.137   56.443   12.137   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    5    9    0 o  7338.50  366.301  897.288   84.171  897.288   84.171   0.0000   0.0000  7338.50  366.301  ?   ?  0.000000 366.3014 
1 1 1    5    9    2 o  3863.20  213.349  239.548   25.708  239.548   25.708   0.0000   0.0000  3863.20  213.349  ?   ?  0.000000 213.3487 
1 1 1    5    9    4 o  3411.56  196.621  186.405   20.915  186.405   20.915   0.0000   0.0000  3411.56  196.621  ?   ?  0.000000 196.6212 
1 1 1    5    9    6 o  1514.22  141.681   36.587   6.6396   36.587   6.6396   0.0000   0.0000  1514.22  141.681  ?   ?  0.000000 141.6813 
1 1 1    5    9    8 o  2586.69  117.677  105.563   9.5313  103.661   13.472  107.470   13.486  2547.36  169.877  2594.83  166.868 -47.47095 238.1240 
1 1 1    5    9   10 o  1674.10  101.495   44.309   5.2952   43.118   7.4688   45.511   7.5086  1642.68  146.750  1688.74  143.351 -46.06189 205.1461 
1 1 1    5    9   12 o  2401.93  165.166   92.382   12.347   0.0000   0.0000   92.382   12.347  ?   ?   2401.93  165.166 0.000000 165.1660 
1 1 1    5    9   14 o  744.539  103.499   8.9153   2.3476   9.3483   3.2031   8.4127   3.4508  755.230  140.624  712.487  158.742 42.74304 212.0714 
1 1 1    5    9   16 o  1617.09   99.777   41.497   5.0276   34.418   7.0122   48.985   7.2121  1457.50  156.075  1748.88  132.689 -291.3829 204.8553 
1 1 1    5    9   18 o  1936.43  105.626   59.719   6.3803   53.153   8.9386   66.539   9.1101  1806.80  159.637  2029.82  144.274 -223.0208 215.1721 
1 1 1    5    9   20 o  805.934  105.625   10.518   2.6014   11.224   3.4097   9.5352   4.0239  824.339  136.899  748.139  174.901 76.19977 222.1078 
1 1 1    5    9   22 o  1732.56  106.044   48.164   5.7253   48.690   8.0121   47.616   8.1841  1721.44  150.143  1699.34  155.532 22.09998 216.1789 
1 1 1    5    9   24 o  364.341  125.363   1.9811   1.7309   0.1549   2.1905   5.0175   2.8245  307.269  130.544  544.932  156.980 -237.6633 204.1678 
1 1 1    5    9   26 o  2023.28   87.422   65.306   5.5385   68.052   6.7391   59.592   9.7218  2054.44  105.111  1881.31  166.761 173.1255 197.1232 
1 1 1    5    9   28 o  1387.99  165.073   32.993   7.0336   32.993   7.0336   0.0000   0.0000  1387.99  165.073  ?   ?  0.000000 165.0729 
1 1 1    5    9   30 o  1037.24  116.086   17.837   3.7057   26.500   5.4855   10.564   5.0259  1250.13  142.689  752.076  206.924 498.0537 251.3522 
1 1 1    5    9   34 o  975.746  175.408   16.873   5.1622   0.0000   0.0000   16.873   5.1622  ?   ?   975.746  175.408 0.000000 175.4084 
1 1 1    5    9   36 o  288.374  133.403  -1.9364   2.8418   0.0000   0.0000  -1.9364   2.8418  ?   ?   288.374  133.403 0.000000 133.4034 
1 1 1    5    9   38 o  1117.60  153.325   21.788   5.2242   31.880   6.9098   8.3216   7.9818  1341.43  168.203  667.219  261.819 674.2101 311.1932 
1 1 1    5    9   40 o  2653.45  139.023  120.929   11.511  123.879   15.892  117.675   16.694  2570.43  199.002  2464.06  218.645 106.3687 295.6472 
1 1 1    5    9   42 o  2104.98  135.818   76.677   8.9043   81.140   12.163   71.522   13.071  2076.21  189.171  1884.57  226.007 191.6401 294.7283 
1 1 1    5    9   44 f  2765.21  231.322  163.226   19.845  163.226   19.845   0.0000   0.0000  2765.21  231.322  ?   ?  0.000000 231.3220 
1 1 1    5    9   46 o  1272.88  242.070   39.568   9.2956   39.568   9.2956   0.0000   0.0000  1272.88  242.070  ?   ?  0.000000 242.0701 
1 1 1    5    9   50 f  333.970  166.306  -2.5771   6.9043  -2.5771   6.9043   0.0000   0.0000  333.970  166.306  ?   ?  0.000000 166.3056 
1 1 1    5    9   52 o  363.849  179.877   6.6698   7.5305   6.6698   7.5305   0.0000   0.0000  363.849  179.877  ?   ?  0.000000 179.8766 
1 1 1    5    9   54 o  467.441  228.187   44.577   10.951   44.577   10.951   0.0000   0.0000  467.441  228.187  ?   ?  0.000000 228.1869 
1 1 1    5    9   56 o  ?   ?    17.587   9.1869   17.587   9.1869   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    5   10    1 o  6720.39  338.636  748.760   71.031  748.760   71.031   0.0000   0.0000  6720.39  338.636  ?   ?  0.000000 338.6357 
1 1 1    5   10    3 o  5618.41  197.007  503.877   34.659  471.984   49.001  535.805   49.028  5369.08  292.570  5743.51  272.617 -374.4302 399.8964 
1 1 1    5   10    5 o  4594.68  168.687  335.422   24.269  334.253   34.317  336.592   34.327  4545.86  241.959  4562.26  241.145 -16.40723 341.6067 
1 1 1    5   10    7 o  2858.00  123.808  128.963   11.080  125.335   15.660  132.600   15.678  2799.15  179.613  2881.09  174.615 -81.94409 250.5014 
1 1 1    5   10    9 o  2822.06  123.039  125.817   10.872  121.718   15.353  129.941   15.399  2756.53  178.839  2850.39  173.356 -93.85889 249.0701 
1 1 1    5   10   11 o  624.706  156.754   6.4511   3.0613   0.0000   0.0000   6.4511   3.0613  ?   ?   624.706  156.754 0.000000 156.7538 
1 1 1    5   10   13 o  688.023  158.987   7.8545   3.3564   0.0000   0.0000   7.8545   3.3564  ?   ?   688.023  158.987 0.000000 158.9873 
1 1 1    5   10   15 o  1276.40   99.579   25.913   3.9484   23.729   5.4692   28.289   5.7060  1209.63  147.449  1324.35  139.706 -114.7242 203.1230 
1 1 1    5   10   17 o  1877.31  107.189   56.154   6.2748   56.573   8.7802   55.717   8.9707  1868.38  151.381  1852.12  156.138 16.25940 217.4749 
1 1 1    5   10   19 o  971.232   83.616   15.034   2.5181   16.241   3.0001   12.158   4.6321  1006.92   96.330  845.740  180.418 161.1761 204.5242 
1 1 1    5   10   21 o  731.475  170.708   9.1291   3.8386   0.0000   0.0000   9.1291   3.8386  ?   ?   731.475  170.708 0.000000 170.7079 
1 1 1    5   10   23 o  1065.02   91.382   18.175   3.0179   21.043   3.6727   12.215   5.2954  1142.89  103.758  834.280  204.332 308.6136 229.1665 
1 1 1    5   10   25 o  643.804  139.726   7.0167   2.7359   2.1654   4.1772   10.661   3.6205  466.264  187.278  793.185  151.293 -326.9213 240.7543 
1 1 1    5   10   27 o  950.208  165.474   15.554   4.7445   0.0000   0.0000   15.554   4.7445  ?   ?   950.208  165.474 0.000000 165.4742 
1 1 1    5   10   29 o  1732.88  161.693   51.320   8.6722   0.0000   0.0000   51.320   8.6722  ?   ?   1732.88  161.693 0.000000 161.6928 
1 1 1    5   10   31 o  690.281  136.643   8.1558   2.8489   8.1558   2.8489   0.0000   0.0000  690.281  136.643  ?   ?  0.000000 136.6425 
1 1 1    5   10   33 f  1486.24  111.122   36.132   5.1340   50.370   7.5598   23.945   6.9942  1734.87  140.366  1153.23  200.997 581.6437 245.1577 
1 1 1    5   10   35 o  1421.09  114.054   33.188   5.0324   44.709   7.4728   23.627   6.8074  1625.16  148.488  1145.47  196.890 479.6915 246.6059 
1 1 1    5   10   37 o  2256.44  120.084   84.321   8.4540  102.226   12.185   67.701   11.739  2433.57  160.808  1935.47  196.424 498.0984 253.8540 
1 1 1    5   10   39 o  2880.00  145.195  142.161   13.052  146.010   17.922  137.814   19.045  2800.33  205.831  2668.60  230.167 131.7246 308.7771 
1 1 1    5   10   41 f  1482.85  148.148   38.415   6.7867   40.727   8.6131   34.627   11.022  1479.92  190.276  1239.18  289.316 240.7330 346.2786 
1 1 1    5   10   43 o  2989.18  236.670  186.555   21.971  186.555   21.971   0.0000   0.0000  2989.18  236.670  ?   ?  0.000000 236.6698 
1 1 1    5   10   45 o  2615.12  242.203  158.645   19.608  158.645   19.608   0.0000   0.0000  2615.12  242.203  ?   ?  0.000000 242.2031 
1 1 1    5   10   47 o  1416.02  255.911   55.905   10.929   55.905   10.929   0.0000   0.0000  1416.02  255.911  ?   ?  0.000000 255.9113 
1 1 1    5   10   49 o  568.371  249.111   17.633   8.4812   17.633   8.4812   0.0000   0.0000  568.371  249.111  ?   ?  0.000000 249.1111 
1 1 1    5   10   51 o  382.749  187.972   5.9350   7.7770   5.9350   7.7770   0.0000   0.0000  382.749  187.972  ?   ?  0.000000 187.9716 
1 1 1    5   10   53 o  641.005  294.298   74.905   13.464   74.905   13.464   0.0000   0.0000  641.005  294.298  ?   ?  0.000000 294.2976 
1 1 1    5   10   55 o  ?   ?    14.088   9.1455   14.088   9.1455   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    5   11    0 o  2967.89  181.173  140.660   16.756  140.660   16.756   0.0000   0.0000  2967.89  181.173  ?   ?  0.000000 181.1725 
1 1 1    5   11    2 o  4442.13  163.114  313.123   22.688  288.433   32.069  337.865   32.103  4222.48  243.582  4587.49  223.489 -365.0049 330.5749 
1 1 1    5   11    4 o  1961.61  106.281   60.778   6.5037   64.245   9.1966   57.309   9.1987  2009.04  147.217  1894.81  156.438 114.2262 214.8158 
1 1 1    5   11    6 o  3756.68  145.759  223.590   17.146  214.787   24.232  232.417   24.264  3651.96  212.826  3803.35  204.493 -151.3894 295.1478 
1 1 1    5   11    8 o  3638.70  206.816  213.389   23.467   0.0000   0.0000  213.389   23.467  ?   ?   3638.70  206.816 0.000000 206.8157 
1 1 1    5   11   10 o  1684.44  149.489   45.458   7.8027   0.0000   0.0000   45.458   7.8027  ?   ?   1684.44  149.489 0.000000 149.4893 
1 1 1    5   11   12 o  886.314  101.394   12.563   2.7633   11.308   3.7474   14.059   4.0910  829.976  149.702  928.788  145.441 -98.81213 208.7190 
1 1 1    5   11   14 o  1195.51   99.747   22.760   3.6999   20.937   5.0891   24.805   5.3886  1135.02  146.621  1238.32  141.512 -103.3022 203.7722 
1 1 1    5   11   16 o  1002.79  104.052   16.122   3.2197   16.241   4.3961   15.985   4.7287  995.783  145.266  983.640  158.947 12.14294 215.3287 
1 1 1    5   11   18 o  1878.67   84.857   55.842   4.9918   57.454   6.0934   52.554   8.7043  1898.26  102.899  1794.02  156.516 104.2430 187.3116 
1 1 1    5   11   20 o  567.021  141.692   5.3960   2.5086   8.2862   3.7475   3.0493   3.3768  697.537  172.534  472.789  173.751 224.7490 244.8619 
1 1 1    5   11   22 o  1699.78  108.460   46.382   5.7426   50.239   7.9289   42.127   8.3283  1752.23  145.835  1591.38  169.754 160.8544 223.7953 
1 1 1    5   11   24 o  1224.67  105.697   24.205   4.0135   28.852   5.6061   19.318   5.7486  1325.03  137.101  1063.46  178.989 261.5747 225.4635 
1 1 1    5   11   26 o  657.362  122.752   7.2304   2.4337   9.7776   3.2634   4.0381   3.6532  759.954  142.371  510.777  181.645 249.1777 230.7903 
1 1 1    5   11   28 o  638.536  151.625   7.0609   2.9864   1.9298   4.6224   10.737   3.9127  469.892  193.894  785.233  164.405 -315.3413 254.2123 
1 1 1    5   11   30 o  968.141  122.739   15.542   3.6373   28.745   5.5629   5.6828   4.8072  1312.52  137.393  585.573  208.354 726.9413 249.5761 
1 1 1    5   11   32 o  1828.62  114.628   54.528   6.5302   63.010   9.5033   46.940   8.9885  1932.09  158.479  1651.86  176.511 280.2349 237.2167 
1 1 1    5   11   34 o  709.848  186.046   9.0260   4.1854   13.441   5.5167   3.0376   6.4248  857.148  207.718  548.567  227.655 308.5811 308.1775 
1 1 1    5   11   36 o  1928.03  130.700   61.843   7.8439   77.548   10.791   44.248   11.422  2125.64  163.376  1519.38  248.687 606.2637 297.5521 
1 1 1    5   11   38 o  1419.49  193.974   36.556   8.3960   36.556   8.3960   0.0000   0.0000  1419.49  193.974  ?   ?  0.000000 193.9739 
1 1 1    5   11   40 o  1561.29  193.838   44.815   9.2725   44.815   9.2725   0.0000   0.0000  1561.29  193.838  ?   ?  0.000000 193.8380 
1 1 1    5   11   44 o  635.567  249.175   9.5312   7.2239   9.5312   7.2239   0.0000   0.0000  635.567  249.175  ?   ?  0.000000 249.1747 
1 1 1    5   11   46 o  500.159  224.025   5.4563   7.2354   5.4563   7.2354   0.0000   0.0000  500.159  224.025  ?   ?  0.000000 224.0255 
1 1 1    5   11   48 o  1228.02  296.096   54.654   11.253   54.654   11.253   0.0000   0.0000  1228.02  296.096  ?   ?  0.000000 296.0962 
1 1 1    5   11   50 o  626.808  266.525   26.123   9.1444   26.123   9.1444   0.0000   0.0000  626.808  266.525  ?   ?  0.000000 266.5247 
1 1 1    5   11   52 o  445.309  215.913   19.472   9.3577   19.472   9.3577   0.0000   0.0000  445.309  215.913  ?   ?  0.000000 215.9125 
1 1 1    5   11   54 o  389.982  195.044   23.735   9.9541   23.735   9.9541   0.0000   0.0000  389.982  195.044  ?   ?  0.000000 195.0439 
1 1 1    5   12    1 o  5763.51  201.458  531.512   36.357  491.039   51.400  572.037   51.433  5460.02  301.815  5922.38  277.352 -462.3657 409.8980 
1 1 1    5   12    3 o  2999.46  127.524  142.148   11.977  142.931   16.926  141.363   16.950  2988.53  181.741  2971.56  183.059 16.96606 257.9543 
1 1 1    5   12    5 o  1918.75  106.057   58.205   6.3473   56.993   8.9489   59.432   9.0041  1888.81  152.613  1929.65  150.204 -40.84338 214.1304 
1 1 1    5   12    7 o  3433.88  137.022  186.940   14.733  174.742   20.792  199.242   20.879  3289.93  202.823  3520.08  190.135 -230.1577 278.0085 
1 1 1    5   12    9 o  3763.43  143.782  225.297   16.944  201.722   23.895  249.138   24.030  3519.33  217.904  3931.51  195.195 -412.1821 292.5464 
1 1 1    5   12   11 o  1935.28  106.664   59.418   6.4387   54.837   9.0037   64.213   9.2114  1844.59  157.391  2000.18  148.128 -155.5891 216.1334 
1 1 1    5   12   13 o  1600.58   86.675   40.546   4.3278   44.701   5.2953   32.187   7.5105  1677.60  101.281  1401.34  174.976 276.2634 202.1740 
1 1 1    5   12   15 o  786.609   88.364   9.9005   2.1388   9.3116   2.5979   11.139   3.7680  757.317  113.012  819.607  152.430 -62.28998 189.7547 
1 1 1    5   12   17 o  681.341  176.196   7.8588   3.7870   0.0000   0.0000   7.8588   3.7870  ?   ?   681.341  176.196 0.000000 176.1959 
1 1 1    5   12   19 o  1414.29  155.576   32.807   6.7758   0.0000   0.0000   32.807   6.7758  ?   ?   1414.29  155.576 0.000000 155.5761 
1 1 1    5   12   21 o  427.216  164.986   2.0819   3.1306   0.0000   0.0000   2.0819   3.1306  ?   ?   427.216  164.986 0.000000 164.9858 
1 1 1    5   12   23 o  1388.87  107.123   31.061   4.6227   38.583   6.4740   23.238   6.6027  1536.39  135.976  1166.69  187.059 369.6978 231.2582 
1 1 1    5   12   25 o  1165.99   89.278   21.810   3.2348   27.165   4.0191   11.960   5.4506  1298.38   99.617  816.401  211.510 481.9775 233.7952 
1 1 1    5   12   27 o  1846.78   92.221   54.599   5.3329   64.527   6.5357   34.820   9.2249  1998.80  104.790  1395.46  218.271 603.3369 242.1226 
1 1 1    5   12   29 o  496.828  143.602   4.1784   2.3600   4.1784   2.3600   0.0000   0.0000  496.828  143.602  ?   ?  0.000000 143.6019 
1 1 1    5   12   31 o  670.206  182.209   7.8945   3.9244   8.2042   5.3442   7.5321   5.7812  681.044  219.977  662.057  229.034 18.98743 317.5628 
1 1 1    5   12   33 o  3371.17  219.129  201.643   23.006  201.643   23.006   0.0000   0.0000  3371.17  219.129  ?   ?  0.000000 219.1293 
1 1 1    5   12   35 o  1042.58  216.815   19.954   6.8474   19.954   6.8474   0.0000   0.0000  1042.58  216.815  ?   ?  0.000000 216.8148 
1 1 1    5   12   37 o  1020.12  225.368   19.677   7.0069   19.677   7.0069   0.0000   0.0000  1020.12  225.368  ?   ?  0.000000 225.3682 
1 1 1    5   12   39 o  1919.08  137.033   62.143   8.1803   73.633   11.238   49.196   11.930  2041.18  177.606  1585.04  248.545 456.1458 305.4806 
1 1 1    5   12   41 o  935.886  205.674   16.777   5.8628   21.104   7.2000   8.2637   10.100  1030.86  229.008  673.157  282.840 357.7061 363.9275 
1 1 1    5   12   43 o  2896.77  160.374  152.415   14.490  161.764   19.505  140.901   21.645  2809.60  223.563  2444.45  288.342 365.1487 364.8582 
1 1 1    5   12   45 o  1250.36  250.790   38.420   9.4772   38.420   9.4772   0.0000   0.0000  1250.36  250.790  ?   ?  0.000000 250.7900 
1 1 1    5   12   47 f  428.987  203.124   2.0257   7.2626   2.0257   7.2626   0.0000   0.0000  428.987  203.124  ?   ?  0.000000 203.1243 
1 1 1    5   12   49 o  409.151  198.845   3.3537   8.0619   3.3537   8.0619   0.0000   0.0000  409.151  198.845  ?   ?  0.000000 198.8453 
1 1 1    5   12   51 o  359.651  179.693   1.4761   8.3524   1.4761   8.3524   0.0000   0.0000  359.651  179.693  ?   ?  0.000000 179.6931 
1 1 1    5   12   53 o  429.739  211.633   23.550   10.083   23.550   10.083   0.0000   0.0000  429.739  211.633  ?   ?  0.000000 211.6331 
1 1 1    5   12   55 f  ?   ?    18.565   10.376   18.565   10.376   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    5   13    0 o  2313.14  112.599   84.438   8.1555   89.346   11.536   79.532   11.532  2365.78  156.607  2228.66  166.448 137.1138 228.5405 
1 1 1    5   13    2 o  870.154   99.177   12.082   2.6540   12.692   3.7447   11.467   3.7619  884.346  139.885  837.771  148.860 46.57452 204.2723 
1 1 1    5   13    4 o  4129.95  152.086  271.337   19.668  232.316   27.760  310.664   27.869  3773.07  236.155  4392.25  202.635 -619.1833 311.1754 
1 1 1    5   13    6 o  3040.28  125.523  146.451   11.950  126.497   16.828  166.744   16.971  2796.88  193.341  3224.65  168.665 -427.7686 256.5708 
1 1 1    5   13    8 o  815.764   89.170   10.612   2.2406   9.2251   2.7167   13.561   3.9623  754.230  118.977  912.289  143.442 -158.0585 186.3627 
1 1 1    5   13   10 o  3784.03  121.252  227.350   14.367  233.092   17.588  215.837   24.905  3818.98  147.082  3623.36  220.562 195.6255 265.1052 
1 1 1    5   13   12 o  1793.17  107.318   51.147   5.9981   53.515   8.3983   48.681   8.5694  1821.50  148.540  1732.77  159.739 88.73462 218.1298 
1 1 1    5   13   14 o  3171.76  136.193  161.007   13.526  177.604   19.059  144.165   19.199  3296.24  185.412  2951.86  209.067 344.3760 279.4400 
1 1 1    5   13   16 o  597.047  128.600   5.9095   2.3332   6.7631   3.0112   4.6272   3.6906  635.403  153.146  545.424  183.114 89.97925 238.7138 
1 1 1    5   13   18 o  1202.50   88.119   23.007   3.2949   25.094   4.0023   18.618   5.8040  1252.59  102.954  1052.76  182.694 199.8301 209.7059 
1 1 1    5   13   20 o  812.104   94.319   10.607   2.3538   11.306   2.8155   8.9856   4.2895  834.833  110.416  723.980  187.665 110.8526 217.7384 
1 1 1    5   13   22 o  1040.25  117.567   17.585   3.7623   22.059   5.5880   13.876   5.0883  1150.44  159.405  897.870  187.057 252.5724 245.7646 
1 1 1    5   13   24 o  1131.52  128.141   21.001   4.4601   21.292   6.0960   20.666   6.5426  1115.65  180.680  1089.29  199.156 26.36169 268.9025 
1 1 1    5   13   26 o  967.574  144.136   15.654   4.2336   20.420   5.7499   10.011   6.2566  1093.24  173.783  746.796  237.681 346.4484 294.4364 
1 1 1    5   13   28 o  1096.66  117.103   19.624   3.9590   19.624   3.9590   0.0000   0.0000  1096.66  117.103  ?   ?  0.000000 117.1034 
1 1 1    5   13   30 f  845.520  120.858   11.772   3.1087   11.772   3.1087   0.0000   0.0000  845.520  120.858  ?   ?  0.000000 120.8585 
1 1 1    5   13   32 o  2516.06  132.358  103.564   10.391  103.564   10.391   0.0000   0.0000  2516.06  132.358  ?   ?  0.000000 132.3577 
1 1 1    5   13   34 o  1085.43  161.950   20.098   5.3358   29.301   7.1804   8.7492   7.9738  1301.84  181.048  713.540  266.097 588.3000 321.8479 
1 1 1    5   13   36 o  750.642  199.825   10.262   4.7799   13.153   6.3867   6.5808   7.2070  832.508  234.823  644.172  249.893 188.3360 342.9112 
1 1 1    5   13   38 o  772.523  204.429   11.070   5.0220   13.018   6.7550   8.6628   7.5090  815.627  244.876  690.589  258.089 125.0387 355.7724 
1 1 1    5   13   40 o  2583.14  143.878  113.499   11.591  126.141   15.941   99.317   16.884  2639.57  194.240  2259.41  242.447 380.1694 310.6597 
1 1 1    5   13   42 o  904.676  228.152   16.909   6.4619   25.883   7.8357  -2.1678   11.425  1126.49  229.926  541.973  256.062 584.5187 344.1416 
1 1 1    5   13   44 f  418.357  194.279  -0.7980   6.1131   5.3434   7.2901 -15.3464   11.220  535.791  232.971  413.966  207.045 121.8256 311.6781 
1 1 1    5   13   46 o  703.454  273.343   17.972   8.6342   17.972   8.6342   0.0000   0.0000  703.454  273.343  ?   ?  0.000000 273.3429 
1 1 1    5   13   48 o  871.199  308.426   36.101   10.521   36.101   10.521   0.0000   0.0000  871.199  308.426  ?   ?  0.000000 308.4262 
1 1 1    5   13   50 o  321.982  162.478  -7.6197   7.7576  -7.6197   7.7576   0.0000   0.0000  321.982  162.478  ?   ?  0.000000 162.4783 
1 1 1    5   13   52 o  365.735  183.638   4.9766   9.2493   4.9766   9.2493   0.0000   0.0000  365.735  183.638  ?   ?  0.000000 183.6376 
1 1 1    5   13   54 o  ?   ?    7.4886   9.9831   7.4886   9.9831   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    5   14    1 o  356.448  118.490   1.9055   1.5458   3.5926   2.0653  -0.2434   2.3309  469.976  133.876  307.098  132.630 162.8777 188.4500 
1 1 1    5   14    3 o  1081.26  104.960   18.633   3.5089   22.677   5.0923   14.979   4.8417  1186.51  139.744  954.253  168.184 232.2607 218.6647 
1 1 1    5   14    5 o  2141.45   90.818   72.297   6.0897   74.417   7.4610   68.068   10.540  2166.32  110.356  2055.36  165.168 110.9578 198.6426 
1 1 1    5   14    7 f  1928.74  108.744   59.051   6.5407   57.750   9.2065   60.378   9.2940  1893.43  156.693  1937.04  154.516 -43.61047 220.0634 
1 1 1    5   14    9 o  2408.17  117.812   92.038   8.8837  102.278   12.512   81.630   12.615  2519.86  159.398  2240.70  181.359 279.1650 241.4518 
1 1 1    5   14   11 o  1125.59  156.140   20.701   5.3550   0.0000   0.0000   20.701   5.3550  ?   ?   1125.59  156.140 0.000000 156.1400 
1 1 1    5   14   13 o  574.166  116.080   5.4216   2.0152   8.2072   2.4412  -0.5376   3.5705  710.442  113.561  372.668  162.528 337.7734 198.2709 
1 1 1    5   14   15 o  1160.10  113.612   21.594   4.0740   22.366   5.8871   20.885   5.6437  1165.45  166.014  1125.86  164.985 39.58765 234.0527 
1 1 1    5   14   17 o  2061.83  114.536   67.926   7.3654   70.674   10.492   65.256   10.342  2082.57  162.180  1998.45  166.790 84.12329 232.6397 
1 1 1    5   14   19 o  1315.66   88.923   27.548   3.6418   26.984   4.3676   28.836   6.5970  1296.89  108.552  1321.91  162.819 -25.01611 195.6875 
1 1 1    5   14   21 o  918.068   98.140   13.567   2.7775   14.050   3.2822   12.350   5.2129  929.763  115.208  842.912  200.436 86.85101 231.1872 
1 1 1    5   14   23 o  1037.30  124.233   17.586   3.9549   17.586   3.9549   0.0000   0.0000  1037.30  124.233  ?   ?  0.000000 124.2328 
1 1 1    5   14   25 o  1101.32  188.775   20.822   6.2756   20.822   6.2756   0.0000   0.0000  1101.32  188.775  ?   ?  0.000000 188.7746 
1 1 1    5   14   27 o  982.908  203.175   16.851   6.0465   16.851   6.0465   0.0000   0.0000  982.908  203.175  ?   ?  0.000000 203.1752 
1 1 1    5   14   29 o  892.551  165.812   13.513   4.4635   19.045   5.9588   6.4412   6.7374  1053.74  187.465  654.465  244.494 399.2785 308.0912 
1 1 1    5   14   31 f  982.602  215.285   17.137   6.4407   17.137   6.4407   0.0000   0.0000  982.602  215.285  ?   ?  0.000000 215.2847 
1 1 1    5   14   33 o  1193.39  104.952   23.056   3.8820   23.934   4.4126   20.050   8.1650  1210.95  117.866  1035.37  253.812 175.5819 279.8445 
1 1 1    5   14   35 o  791.946  203.182   11.316   5.0633   10.301   6.7521   12.621   7.6533  748.215  247.590  814.770  263.252 -66.55573 361.3900 
1 1 1    5   14   37 o  1267.81  162.827   27.520   6.3146   33.486   8.4001   19.768   9.5751  1370.84  201.727  982.420  290.776 388.4253 353.8985 
1 1 1    5   14   39 o  2110.72  140.872   74.970   9.2570   83.392   12.693   65.401   13.529  2168.26  188.844  1857.69  238.066 310.5673 303.8708 
1 1 1    5   14   41 o  667.362  227.432   8.8593   5.6941   11.399   7.4926   5.3867   8.7608  730.708  260.106  607.183  259.590 123.5245 367.4811 
1 1 1    5   14   43 o  1015.95  225.459   22.205   6.9850   19.661   8.3198   28.282   12.857  878.855  273.319  912.628  338.377 -33.77295 434.9736 
1 1 1    5   14   45 o  699.999  272.504   16.030   8.5934   16.030   8.5934   0.0000   0.0000  699.999  272.504  ?   ?  0.000000 272.5037 
1 1 1    5   14   47 o  352.908  176.568  -9.4040   8.1923  -9.4040   8.1923   0.0000   0.0000  352.908  176.568  ?   ?  0.000000 176.5676 
1 1 1    5   14   49 o  397.302  195.359   0.7854   8.4820   0.7854   8.4820   0.0000   0.0000  397.302  195.359  ?   ?  0.000000 195.3585 
1 1 1    5   15    0 o  1926.51   88.523   58.491   5.3401   58.137   6.5565   59.189   9.2038  1914.24  109.845  1919.34  154.451 -5.097656 189.5282 
1 1 1    5   15    2 o  2702.18  122.793  115.797   10.390  121.962   14.697  109.637   14.690  2751.68  171.422  2604.05  181.288 147.6272 249.5011 
1 1 1    5   15    4 o  3065.54  129.961  149.326   12.475  136.708   17.596  162.075   17.688  2900.82  194.857  3168.28  179.029 -267.4585 264.6135 
1 1 1    5   15    6 o  2505.04  119.481   99.532   9.3720  111.366   13.224   87.590   13.285  2631.27  161.275  2322.85  184.155 308.4231 244.7910 
1 1 1    5   15    8 o  2323.29   93.382   85.208   6.7934   87.687   8.3012   80.180   11.821  2352.44  112.695  2226.34  170.868 126.1016 204.6856 
1 1 1    5   15   10 o  1076.54  111.800   18.560   3.7137   20.161   5.3508   17.073   5.1584  1110.70  158.335  1017.82  167.698 92.87659 230.6346 
1 1 1    5   15   12 o  1288.67   87.926   26.332   3.5268   29.204   4.3174   20.573   6.1142  1354.47  102.558  1114.12  181.512 240.3527 208.4818 
1 1 1    5   15   14 f  1143.86   85.850   20.772   3.0525   16.722   3.6203   30.732   5.6770  1019.45  115.449  1381.04  132.920 -361.5900 176.0574 
1 1 1    5   15   16 o  2207.21   93.686   77.135   6.4749   79.222   7.8873   72.821   11.339  2228.36  113.413  2110.09  173.144 118.2629 206.9817 
1 1 1    5   15   18 o  1561.64  109.939   39.043   5.3416   39.043   5.3416   0.0000   0.0000  1561.64  109.939  ?   ?  0.000000 109.9392 
1 1 1    5   15   20 o  731.426  135.188   8.8804   2.9821   8.8804   2.9821   0.0000   0.0000  731.426  135.188  ?   ?  0.000000 135.1881 
1 1 1    5   15   22 o  1246.08  119.606   25.134   4.6094   25.134   4.6094   0.0000   0.0000  1246.08  119.606  ?   ?  0.000000 119.6059 
1 1 1    5   15   24 o  1305.86  122.414   27.621   4.9471   29.245   6.5150   25.409   7.6027  1329.01  159.756  1215.62  207.164 113.3955 261.6078 
1 1 1    5   15   26 o  1150.73  137.119   21.666   4.8434   24.583   6.4522   17.900   7.3309  1211.27  175.208  1004.44  236.925 206.8342 294.6712 
1 1 1    5   15   28 o  1150.03  105.901   21.281   3.7707   20.164   4.3215   24.845   7.7180  1112.87  126.250  1198.69  213.451 -85.82056 247.9926 
1 1 1    5   15   30 o  282.183  136.348  -5.5306   3.6553  -0.1377   4.6050 -14.7159   6.0099  427.714  185.568  309.400  154.245 118.3144 241.3031 
1 1 1    5   15   32 o  1828.24  183.650   56.571   10.371   56.571   10.371   0.0000   0.0000  1828.24  183.650  ?   ?  0.000000 183.6500 
1 1 1    5   15   34 o  3635.07  135.017  215.986   15.368  232.624   18.629  180.543   27.189  3742.11  158.988  3103.34  282.910 638.7754 324.5225 
1 1 1    5   15   36 o  1794.07  144.742   53.496   8.0619   64.136   10.893   40.611   11.988  1933.82  182.037  1460.35  272.174 473.4692 327.4388 
1 1 1    5   15   38 o  1767.56  143.408   52.382   7.8688   53.007   10.557   51.600   11.803  1727.61  198.781  1670.42  231.915 57.19641 305.4474 
1 1 1    5   15   40 o  540.068  217.596   4.1387   5.6582   0.3410   7.4676   9.2582   8.6703  508.834  227.774  692.094  272.462 -183.2600 355.1287 
1 1 1    5   15   42 o  856.875  226.722   15.640   6.1775   4.8070   7.8708   33.017   9.9689  560.696  242.934  1195.90  272.317 -635.2019 364.9297 
1 1 1    5   15   44 o  611.064  240.325   9.3858   6.7393   5.2005   7.9155   20.414   12.849  530.058  236.087  719.219  311.006 -189.1614 390.4636 
1 1 1    5   15   52 o  471.451  229.784   23.135   10.982   23.135   10.982   0.0000   0.0000  471.451  229.784  ?   ?  0.000000 229.7844 
1 1 1    5   16    1 o  2513.99  118.782  100.121   9.3504  108.209   13.402   92.450   13.052  2594.30  165.851  2393.42  175.374 200.8823 241.3768 
1 1 1    5   16    3 o  493.161  125.454   4.0060   1.9419   5.1562   2.3436   1.4864   3.4686  558.576  135.401  426.657  170.908 131.9191 218.0432 
1 1 1    5   16    5 o  1039.79   90.477   17.174   2.9164   14.851   3.5763   21.785   5.0390  960.432  121.645  1161.38  141.489 -200.9512 186.5922 
1 1 1    5   16    7 o  549.822  120.711   4.9784   2.0213   3.8353   2.4767   7.2580   3.4976  488.586  148.634  659.973  168.627 -171.3872 224.7821 
1 1 1    5   16    9 o  1930.78  114.490   59.295   6.8909   65.831   9.7130   52.672   9.7777  2022.10  154.574  1800.05  175.715 222.0508 234.0274 
1 1 1    5   16   11 o  425.064  172.301   1.3209   3.5711   0.0000   0.0000   1.3209   3.5711  ?   ?   425.064  172.301 0.000000 172.3014 
1 1 1    5   16   13 o  2076.61  165.716   69.991   10.686   69.991   10.686   0.0000   0.0000  2076.61  165.716  ?   ?  0.000000 165.7160 
1 1 1    5   16   15 o  902.214  121.191   13.197   3.3371   13.197   3.3371   0.0000   0.0000  902.214  121.191  ?   ?  0.000000 121.1911 
1 1 1    5   16   17 o  1243.67  108.379   24.791   4.1783   24.791   4.1783   0.0000   0.0000  1243.67  108.379  ?   ?  0.000000 108.3788 
1 1 1    5   16   19 o  1018.75   99.108   16.636   3.1215   17.334   3.6485   14.728   6.0291  1036.23  114.351  922.452  213.035 113.7754 241.7851 
1 1 1    5   16   21 o  1282.84  100.533   26.313   4.0060   27.931   4.7482   22.317   7.4623  1317.39  116.299  1138.23  217.302 179.1650 246.4666 
1 1 1    5   16   23 o  919.608  115.820   13.700   3.2611   13.373   3.7538   14.706   6.5844  902.442  137.160  917.107  229.766 -14.66498 267.5915 
1 1 1    5   16   25 o  1024.92  133.762   17.138   4.1904   21.155   5.2874   10.353   6.8713  1134.03  152.791  778.597  249.219 355.4364 292.3268 
1 1 1    5   16   27 o  1208.20  102.151   23.379   3.8283   23.163   4.4327   24.014   7.5948  1197.56  119.817  1183.20  212.820 14.36304 244.2299 
1 1 1    5   16   29 o  3032.42  118.896  147.442   11.289  159.980   13.618  119.884   20.189  3145.70  138.250  2624.07  248.676 521.6292 284.5223 
1 1 1    5   16   31 o  1768.15  104.269   50.126   5.7473   55.818   6.7117   34.478   11.129  1861.18  115.740  1376.68  267.802 484.4967 291.7423 
1 1 1    5   16   33 o  982.353  242.691   17.572   7.4216   17.572   7.4216   0.0000   0.0000  982.353  242.691  ?   ?  0.000000 242.6910 
1 1 1    5   16   35 o  2447.97  141.382   98.500   10.791  119.659   14.837   74.735   15.724  2661.54  179.070  2029.17  252.963 632.3696 309.9290 
1 1 1    5   16   37 o  2025.40  144.180   68.287   9.0842   83.001   12.287   50.550   13.491  2198.27  180.088  1621.38  275.594 576.8956 329.2167 
1 1 1    5   16   39 o  1045.93  206.518   20.338   6.5235   12.864   8.6811   30.034   9.8876  786.378  279.971  1215.54  267.074 -429.1585 386.9270 
1 1 1    5   16   41 o  902.443  171.227   15.069   4.6615   21.093   5.1983  -9.6606   10.532  1082.64  157.996  462.221  225.230 620.4184 275.1208 
1 1 1    5   16   43 o  590.570  278.002   5.9922   13.242   0.0000   0.0000   5.9922   13.242  ?   ?   590.570  278.002 0.000000 278.0017 
1 1 1    5   16   45 o  233.693  108.111  -1.0604   1.8666  -1.0679   1.8838  -0.6568   13.857  234.697  108.587  503.914  248.150 -269.2165 270.8684 
1 1 1    5   16   47 o  579.519  259.232   13.532   9.6546   13.532   9.6546   0.0000   0.0000  579.519  259.232  ?   ?  0.000000 259.2323 
1 1 1    5   16   49 o  442.553  215.414   4.7782   9.5605   4.7782   9.5605   0.0000   0.0000  442.553  215.414  ?   ?  0.000000 215.4138 
1 1 1    5   16   51 o  489.970  236.335   19.029   10.866   19.029   10.866   0.0000   0.0000  489.970  236.335  ?   ?  0.000000 236.3355 
1 1 1    5   17    0 o  1463.85  109.205   34.060   4.9696   31.646   7.0400   36.456   7.0161  1397.50  163.999  1504.86  150.930 -107.3611 222.8807 
1 1 1    5   17    2 o  1567.85  109.149   39.049   5.3251   46.817   7.5708   31.442   7.4915  1709.20  142.766  1389.15  176.188 320.0542 226.7693 
1 1 1    5   17    4 o  1460.20  118.407   33.994   5.3672   38.427   7.6081   29.602   7.5728  1542.23  159.869  1344.20  184.807 198.0282 244.3598 
1 1 1    5   17    6 o  1554.84   93.686   38.279   4.5399   40.884   5.5779   33.167   7.8140  1603.32  111.804  1425.16  179.056 178.1578 211.0950 
1 1 1    5   17    8 o  532.713  189.368   4.0329   3.9701   4.0329   3.9701   0.0000   0.0000  532.713  189.368  ?   ?  0.000000 189.3677 
1 1 1    5   17   10 o  1093.57  115.038   19.174   3.8801   19.174   3.8801   0.0000   0.0000  1093.57  115.038  ?   ?  0.000000 115.0385 
1 1 1    5   17   12 o  2185.01  116.171   76.070   7.9196   76.070   7.9196   0.0000   0.0000  2185.01  116.171  ?   ?  0.000000 116.1709 
1 1 1    5   17   14 o  336.074  130.390   1.1640   1.9624   0.2801   2.3012   3.5201   3.7570  321.405  135.025  505.489  183.648 -184.0841 227.9435 
1 1 1    5   17   16 o  693.942  115.795   7.8627   2.4275   7.7914   2.8447   8.0537   4.6556  685.808  137.262  691.606  202.211 -5.797058 244.3978 
1 1 1    5   17   18 f  1467.11   94.586   34.223   4.3220   37.831   5.1742   25.893   7.8612  1539.34  108.032  1236.85  210.522 302.4890 236.6231 
1 1 1    5   17   20 o  1228.76  105.074   24.135   4.0039   23.142   4.7586   26.541   7.4089  1196.80  129.023  1259.94  194.021 -63.13818 233.0045 
1 1 1    5   17   22 o  432.239  176.280   1.3102   3.7653  -1.8162   5.0009   5.4023   5.7214  416.401  186.397  618.162  226.318 -201.7611 293.1956 
1 1 1    5   17   24 o  1378.17  104.538   30.314   4.4776   35.401   5.2310   16.370   8.6604  1487.59  113.150  962.520  274.129 525.0667 296.5635 
1 1 1    5   17   26 o  1344.72  130.839   29.224   5.4394   36.421   6.8351   16.794   8.9826  1496.46  147.799  970.143  280.085 526.3217 316.6895 
1 1 1    5   17   28 o  415.429  152.812   2.2849   2.6128   3.5906   2.8102  -6.0452   7.0981  480.052  159.769  439.967  205.967 40.08545 260.6695 
1 1 1    5   17   30 o  1102.94  138.990   19.939   4.6936   19.939   4.6936   0.0000   0.0000  1102.94  138.990  ?   ?  0.000000 138.9902 
1 1 1    5   17   32 o  1558.14  147.646   39.845   7.1175   48.564   9.6023   29.212   10.603  1701.40  183.124  1261.62  276.081 439.7788 331.2927 
1 1 1    5   17   34 o  2233.87  110.907   80.117   7.7577   84.670   9.1273   68.269   14.724  2283.78  128.153  1960.20  245.258 323.5793 276.7211 
1 1 1    5   17   36 o  1604.60  114.397   41.842   5.7101   43.999   6.5553   35.059   11.626  1637.68  128.876  1348.71  284.249 288.9717 312.1002 
1 1 1    5   17   38 o  1692.98  255.592   55.479   13.127   0.0000   0.0000   55.479   13.127  ?   ?   1692.98  255.592 0.000000 255.5921 
1 1 1    5   17   40 o  783.009  301.863   14.697   10.466   0.0000   0.0000   14.697   10.466  ?   ?   783.009  301.863 0.000000 301.8627 
1 1 1    5   17   42 o  1747.14  119.401   52.384   6.4930   59.528   7.3544   27.136   13.826  1851.42  127.639  885.869  345.434 965.5542 368.2615 
1 1 1    5   17   44 o  466.636  216.493   0.8171   7.5641  -7.6048   8.9672   21.590   14.083  413.102  202.669  720.964  318.318 -307.8614 377.3607 
1 1 1    5   17   46 o  1115.71  149.012   24.106   5.0758   24.106   5.0758   0.0000   0.0000  1115.71  149.012  ?   ?  0.000000 149.0123 
1 1 1    5   17   48 o  595.222  173.554   8.0830   3.4337   8.0830   3.4337   0.0000   0.0000  595.222  173.554  ?   ?  0.000000 173.5540 
1 1 1    5   17   50 o  521.488  247.805   17.689   10.998   17.689   10.998   0.0000   0.0000  521.488  247.805  ?   ?  0.000000 247.8055 
1 1 1    5   18    1 o  1606.70  119.800   41.123   5.9838   34.392   8.5966   47.449   8.3342  1447.55  194.589  1716.51  156.792 -268.9604 249.8973 
1 1 1    5   18    3 o  578.271  193.497   5.1386   4.1209   5.1386   4.1209   0.0000   0.0000  578.271  193.497  ?   ?  0.000000 193.4966 
1 1 1    5   18    5 o  932.020  192.058   14.526   5.4186   14.526   5.4186   0.0000   0.0000  932.020  192.058  ?   ?  0.000000 192.0584 
1 1 1    5   18    7 o  1666.89  162.501   44.976   8.3738   44.976   8.3738   0.0000   0.0000  1666.89  162.501  ?   ?  0.000000 162.5008 
1 1 1    5   18    9 o  1188.14   98.883   22.467   3.6454   23.027   4.5292   21.436   6.1427  1197.87  122.474  1140.00  177.892 57.86646 215.9754 
1 1 1    5   18   11 o  864.480  105.695   12.006   2.8015   13.090   3.2833   9.1058   5.3718  900.188  119.432  737.156  217.687 163.0322 248.2972 
1 1 1    5   18   13 o  858.453  109.245   11.866   2.8700   12.404   3.3643   10.426   5.5005  874.042  126.613  783.887  216.803 90.15515 251.0665 
1 1 1    5   18   15 o  1358.91  109.466   29.467   4.6184   29.467   4.6184   0.0000   0.0000  1358.91  109.466  ?   ?  0.000000 109.4658 
1 1 1    5   18   17 o  641.852  137.280   6.8192   2.6755   7.3737   3.1320   5.3217   5.1470  665.240  153.480  605.016  215.558 60.22321 264.6154 
1 1 1    5   18   19 o  1190.41  109.598   22.644   4.0393   26.510   4.7998   13.260   7.4780  1286.23  120.584  879.669  256.014 406.5589 282.9902 
1 1 1    5   18   21 o  1417.54  105.190   31.995   4.6358   35.395   5.5014   23.667   8.6093  1487.97  119.074  1175.14  242.029 312.8333 269.7345 
1 1 1    5   18   23 o  524.719  189.189   3.8518   3.9761   5.6202   5.1796   1.3145   6.2043  614.569  216.530  530.937  222.306 83.63184 310.3307 
1 1 1    5   18   25 o  932.459  127.321   14.120   3.6203   13.191   4.0876   17.504   7.7973  894.188  151.394  1001.51  249.549 -107.3179 291.8812 
1 1 1    5   18   27 o  1128.30  141.795   20.760   4.8990   24.634   5.9009   12.169   8.7880  1225.16  157.464  845.900  282.569 379.2548 323.4816 
1 1 1    5   18   29 o  2258.99  114.082   81.618   8.0434   94.340   9.5676   50.955   14.854  2423.30  126.529  1685.73  291.977 737.5741 318.2141 
1 1 1    5   18   31 o  581.463  167.738   5.6686   3.2229   4.9701   3.5414   9.0356   7.7750  554.073  179.082  746.882  265.059 -192.8093 319.8847 
1 1 1    5   18   33 o  1182.99  149.042   23.115   5.3983   27.987   6.3538   10.472   10.236  1298.57  159.623  802.653  301.058 495.9179 340.7572 
1 1 1    5   18   35 o  1445.47  147.379   34.651   6.5772   48.646   8.0207   5.9196   11.492  1712.42  151.134  720.546  302.176 991.8716 337.8635 
1 1 1    5   18   37 o  748.115  173.072   9.9239   3.9737   14.186   4.3183 -13.6276   10.151  906.193  157.928  451.754  220.346 454.4389 271.0971 
1 1 1    5   18   39 o  761.138  244.590   11.869   6.6135   10.539   8.4761   13.938   10.574  716.521  272.775  784.974  303.192 -68.45343 407.8375 
1 1 1    5   18   41 o  826.861  247.506   15.142   6.9085   16.050   8.8387   13.716   11.076  806.896  282.962  733.148  301.047 73.74780 413.1548 
1 1 1    5   18   43 o  627.359  250.395   9.2984   7.4164   5.0767   9.5066   15.863   11.855  561.988  253.813  711.609  303.044 -149.6205 395.2933 
1 1 1    5   18   45 o  451.018  213.391  -0.4522   7.9855  -2.8640   9.2446   6.6371   15.850  448.358  216.691  566.086  275.941 -117.7285 350.8542 
1 1 1    5   18   47 o  555.203  185.892   7.0840   3.8034   7.0840   3.8034   0.0000   0.0000  555.203  185.892  ?   ?  0.000000 185.8923 
1 1 1    5   18   49 o  294.257  133.945  -0.1056   2.7115  -0.1056   2.7115   0.0000   0.0000  294.257  133.945  ?   ?  0.000000 133.9454 
1 1 1    5   19    0 o  1266.87  123.296   25.684   4.8291   25.684   4.8291   0.0000   0.0000  1266.87  123.296  ?   ?  0.000000 123.2962 
1 1 1    5   19    2 o  1055.42  133.768   17.976   4.3215   17.976   4.3215   0.0000   0.0000  1055.42  133.768  ?   ?  0.000000 133.7685 
1 1 1    5   19    4 f  1518.98   93.323   36.531   4.4172   39.090   5.4787   31.778   7.4671  1567.63  112.358  1396.31  174.602 171.3160 207.6299 
1 1 1    5   19    6 o  1454.30  117.994   33.733   5.3269   31.825   7.5501   35.623   7.5167  1396.45  176.615  1482.26  164.738 -85.81042 241.5191 
1 1 1    5   19    8 o  444.806  164.749   2.5092   3.0462  -2.3525   4.5335   6.5110   4.1131  385.743  174.648  631.518  191.416 -245.7751 259.1180 
1 1 1    5   19   10 f  851.335  208.555   12.239   5.5157   0.0000   0.0000   12.239   5.5157  ?   ?   851.335  208.555 0.000000 208.5552 
1 1 1    5   19   12 o  1581.18   96.136   39.606   4.7371   46.851   5.8371   25.626   8.1078  1717.47  109.106  1237.74  217.115 479.7271 242.9875 
1 1 1    5   19   14 o  1028.80  114.530   16.960   3.6269   20.174   4.4592   10.677   6.2340  1119.87  129.560  798.308  234.158 321.5618 267.6114 
1 1 1    5   19   16 o  473.598  150.895   3.5189   2.5212   5.3309   2.9184  -1.8128   5.0061  568.934  158.124  419.555  187.245 149.3790 245.0789 
1 1 1    5   19   18 o  666.867  157.951   7.3915   3.2474   11.749   3.7538  -5.5719   6.4743  846.841  146.888  426.417  198.657 420.4234 247.0647 
1 1 1    5   19   20 o  616.945  166.231   6.3164   3.2836   8.7585   3.8512  -0.1850   6.2838  724.149  172.338  505.656  218.076 218.4937 277.9522 
1 1 1    5   19   22 o  614.489  167.344   6.2737   3.3069   5.3977   3.7387   9.4223   7.0881  580.373  183.627  764.118  253.716 -183.7449 313.1942 
1 1 1    5   19   24 o  1373.74  111.096   30.126   4.7379   33.576   5.4953   20.133   9.3524  1447.89  122.355  1070.81  276.881 377.0800 302.7106 
1 1 1    5   19   26 o  786.276  144.558   10.208   3.4279   9.3990   3.8454   13.337   7.5646  748.480  168.176  878.265  258.032 -129.7858 308.0000 
1 1 1    5   19   28 o  1559.55  136.566   39.259   6.6018   48.306   8.1926   22.505   11.149  1724.70  153.301  1113.37  308.918 611.3263 344.8649 
1 1 1    5   19   30 f  2397.77  139.112   92.740   10.400  111.896   13.817   67.707   15.795  2616.29  169.574  1974.54  261.939 641.7452 312.0374 
1 1 1    5   19   32 o  1272.71  123.678   26.228   4.8665   26.817   5.4791   24.028   10.592  1281.67  138.740  1138.41  294.805 143.2665 325.8203 
1 1 1    5   19   34 f  1187.72  146.225   23.395   5.3233   23.395   5.3233   0.0000   0.0000  1187.72  146.225  ?   ?  0.000000 146.2245 
1 1 1    5   19   36 o  1278.16  130.549   27.093   5.1515   30.688   5.7365   12.113   11.710  1357.38  136.833  805.338  316.767 552.0430 345.0575 
1 1 1    5   19   38 o  1272.85  133.992   27.385   5.2602   33.051   5.8461   3.2908   12.055  1398.44  135.193  643.200  288.556 755.2443 318.6556 
1 1 1    5   19   40 o  921.934  249.077   18.078   7.3604   23.008   9.4691   10.552   11.700  995.854  287.586  705.045  300.671 290.8085 416.0636 
1 1 1    5   19   42 o  518.798  237.531   1.3060   8.6878   1.3060   8.6878   0.0000   0.0000  518.798  237.531  ?   ?  0.000000 237.5308 
1 1 1    5   19   44 o  675.153  282.196   13.363   9.9729   13.363   9.9729   0.0000   0.0000  675.153  282.196  ?   ?  0.000000 282.1956 
1 1 1    5   19   46 f  393.678  195.312  -9.4308   9.1738  -9.4308   9.1738   0.0000   0.0000  393.678  195.312  ?   ?  0.000000 195.3119 
1 1 1    5   19   48 o  499.670  238.914   6.6283   10.553   6.6283   10.553   0.0000   0.0000  499.670  238.914  ?   ?  0.000000 238.9143 
1 1 1    5   20    1 o  2206.86   98.181   76.799   6.7846   85.361   8.3414   60.062   11.662  2323.62  114.646  1921.97  196.547 401.6500 227.5397 
1 1 1    5   20    3 o  1494.52   97.127   35.361   4.5206   32.784   5.6052   40.156   7.6460  1433.23  126.186  1579.81  156.630 -146.5763 201.1359 
1 1 1    5   20    5 o  789.776  157.140   10.278   3.7493   11.633   5.4389   9.0513   5.1756  832.786  208.925  739.012  212.385 93.77332 297.9212 
1 1 1    5   20    7 o  1349.33  102.547   28.886   4.3003   27.855   5.3241   30.820   7.2936  1319.46  130.579  1378.05  172.829 -58.58984 216.6122 
1 1 1    5   20    9 o  434.696  173.324   1.5939   3.5503   6.9367   5.2946  -2.7710   4.7856  666.092  219.190  392.005  178.249 274.0869 282.5193 
1 1 1    5   20   11 o  1581.88  118.925   39.786   5.8476   41.984   8.2539   37.572   8.2856  1613.97  165.674  1522.75  177.077 91.21313 242.4955 
1 1 1    5   20   13 o  461.368  174.749   2.4796   3.4675   1.1630   5.0591   3.6462   4.7620  488.143  202.250  545.907  205.233 -57.76443 288.1418 
1 1 1    5   20   15 o  600.686  190.734   5.7218   4.0309   1.8751   5.5320   10.076   5.8855  524.063  213.692  779.229  227.220 -255.1662 311.9187 
1 1 1    5   20   17 o  347.780  151.568  -0.5297   3.1005  -0.9003   3.6863   0.3663   5.7318  372.056  163.622  496.809  211.124 -124.7529 267.1053 
1 1 1    5   20   19 o  785.112  156.069   10.170   3.7016   12.474   4.2931   3.4954   7.3079  869.814  163.631  619.672  248.127 250.1422 297.2239 
1 1 1    5   20   21 o  428.533  168.112   1.7914   3.2899   0.6723   3.7054   5.9591   7.1509  413.235  172.305  672.921  251.787 -259.6857 305.0998 
1 1 1    5   20   23 o  1228.84  140.937   24.382   5.3249   24.959   6.7332   23.419   8.7005  1232.17  179.813  1170.81  245.182 61.34985 304.0510 
1 1 1    5   20   25 o  400.673  166.843   0.6767   3.4676   2.2739   3.8774  -5.7028   7.7492  468.329  182.844  475.088  219.958 -6.758514 286.0311 
1 1 1    5   20   27 o  782.283  177.442   10.283   4.2466   11.780   4.9307   5.9833   8.3563  834.854  192.549  695.969  269.332 138.8849 331.0809 
1 1 1    5   20   29 o  1515.49  111.643   36.707   5.2606   36.073   5.9796   38.877   11.065  1497.26  128.798  1506.33  242.842 -9.070313 274.8833 
1 1 1    5   20   31 o  460.306  174.287   2.6261   3.4485   0.8009   3.7163   13.937   9.2514  413.345  172.473  887.858  289.621 -474.5134 337.0862 
1 1 1    5   20   33 o  1041.45  143.090   17.970   4.5429   18.023   4.9996   17.721   10.881  1036.50  159.131  961.593  314.109 74.90314 352.1185 
1 1 1    5   20   35 o  1950.22  136.201   62.809   8.2650   62.809   8.2650   0.0000   0.0000  1950.22  136.201  ?   ?  0.000000 136.2007 
1 1 1    5   20   37 o  1332.36  144.988   30.117   5.9512   30.117   5.9512   0.0000   0.0000  1332.36  144.988  ?   ?  0.000000 144.9882 
1 1 1    5   20   39 o  703.357  277.970   9.9015   9.0570   9.9015   9.0570   0.0000   0.0000  703.357  277.970  ?   ?  0.000000 277.9699 
1 1 1    5   20   41 f  795.898  299.820   16.115   10.173   16.115   10.173   0.0000   0.0000  795.898  299.820  ?   ?  0.000000 299.8197 
1 1 1    5   20   43 o  488.596  226.242   0.0362   8.2022   11.640   10.218 -20.9882   13.754  673.818  283.875  446.678  224.232 227.1397 361.7527 
1 1 1    5   20   45 o  237.363  118.769  -8.6233   3.7110 -10.4539   3.8499   15.392   13.944  229.424  115.610  656.925  300.828 -427.5009 322.2784 
1 1 1    5   21    0 o  781.076  138.603   9.9383   3.2657   11.808   4.0921   6.6591   5.4195  848.775  159.835  661.013  221.895 187.7625 273.4679 
1 1 1    5   21    2 o  1686.98   98.345   44.957   5.1724   52.791   6.4032   30.246   8.7745  1826.15  112.529  1356.90  213.576 469.2483 241.4071 
1 1 1    5   21    4 o  1225.81  106.079   23.852   4.0315   28.272   4.9956   15.599   6.8269  1332.80  121.022  964.920  229.328 367.8823 259.3029 
1 1 1    5   21    6 o  824.281  137.444   11.034   3.4226   13.173   4.2565   7.1212   5.7567  898.301  157.044  682.286  228.697 216.0155 277.4264 
1 1 1    5   21    8 o  926.841  123.815   13.803   3.5035   13.784   4.3834   13.837   5.8296  919.202  157.988  911.095  208.812 8.107056 261.8450 
1 1 1    5   21   10 o  688.439  151.531   7.8084   3.1780   9.4769   3.9424   4.7124   5.3702  756.978  170.432  598.113  219.218 158.8643 277.6752 
1 1 1    5   21   12 o  443.841  164.690   2.4413   3.0468   2.4356   3.8037   2.4516   5.0895  473.872  182.172  523.788  207.939 -49.91553 276.4510 
1 1 1    5   21   14 o  338.823  148.063  -0.6023   2.9765  -1.9211   3.6096   2.1999   5.2616  345.353  156.147  523.205  210.173 -177.8514 261.8294 
1 1 1    5   21   16 o  1380.42  141.247   30.538   6.0193   32.360   8.1610   28.363   8.9139  1408.90  189.820  1306.77  226.027 102.1353 295.1607 
1 1 1    5   21   18 o  865.511  263.937   12.447   7.8029   0.0000   0.0000   12.447   7.8029  ?   ?   865.511  263.937 0.000000 263.9367 
1 1 1    5   21   20 o  1041.00  261.425   18.526   8.5096   0.0000   0.0000   18.526   8.5096  ?   ?   1041.00  261.425 0.000000 261.4246 
1 1 1    5   21   22 o  1033.13  165.489   17.484   5.1728   23.041   6.5980   8.6204   8.3332  1183.92  183.950  765.153  274.102 418.7684 330.1055 
1 1 1    5   21   24 o  1502.04  111.694   35.901   5.2157   37.469   6.0660   31.453   10.215  1530.96  127.703  1362.62  248.572 168.3329 279.4569 
1 1 1    5   21   26 o  1032.52  140.105   17.301   4.4127   19.859   4.9296   6.9909   9.8985  1105.87  145.927  754.102  292.771 351.7647 327.1226 
1 1 1    5   21   28 o  1998.51  132.943   64.062   8.2719   64.062   8.2719   0.0000   0.0000  1998.51  132.943  ?   ?  0.000000 132.9431 
1 1 1    5   21   30 o  1172.80  135.886   22.381   4.8977   21.927   5.5131   24.083   10.668  1153.65  156.669  1148.58  295.061 5.072144 334.0751 
1 1 1    5   21   32 o  1345.30  143.179   29.741   5.9387   29.741   5.9387   0.0000   0.0000  1345.30  143.179  ?   ?  0.000000 143.1791 
1 1 1    5   21   34 o  1007.06  165.961   17.320   5.0510   17.320   5.0510   0.0000   0.0000  1007.06  165.961  ?   ?  0.000000 165.9613 
1 1 1    5   21   36 o  410.953  182.604  -0.7079   4.7071  -0.7079   4.7071   0.0000   0.0000  410.953  182.604  ?   ?  0.000000 182.6044 
1 1 1    5   21   38 o  653.469  199.599   7.9176   4.4598   9.1025   4.8459   1.3577   11.402  695.419  207.093  611.664  276.949 83.75568 345.8155 
1 1 1    5   21   40 o  596.595  248.900   5.4756   7.7381   2.9922   9.7126   9.7914   12.804  585.534  261.103  708.478  308.406 -122.9440 404.0905 
1 1 1    5   21   42 o  387.165  189.745 -10.0361   7.7953 -16.2683   9.6654   1.5618   13.185  396.079  197.159  592.408  278.409 -196.3281 341.1496 
1 1 1    5   21   44 o  635.441  262.273   9.7166   8.4607   15.173   10.659   0.4240   13.911  718.482  295.211  559.611  269.309 158.8707 399.5959 
1 1 1    5   22    1 o  2135.23  100.087   71.728   6.6917   71.802   8.2089   71.582   11.553  2130.11  123.605  2115.38  176.021 14.73022 215.0850 
1 1 1    5   22    3 o  1204.97  109.367   23.050   4.0815   23.324   5.1059   22.565   6.7931  1207.39  137.507  1175.80  191.071 31.58801 235.4064 
1 1 1    5   22    5 o  1426.87  104.114   32.215   4.6196   36.972   5.7785   23.789   7.6899  1526.34  121.922  1202.72  211.936 323.6122 244.5032 
1 1 1    5   22    7 o  1121.69  112.282   20.018   3.8907   22.706   4.8200   14.991   6.5913  1192.08  131.306  948.031  225.352 244.0517 260.8158 
1 1 1    5   22    9 o  693.401  158.787   7.9254   3.3734   8.6600   4.2004   6.5908   5.6616  723.627  184.742  664.524  226.780 59.10229 292.5042 
1 1 1    5   22   11 o  747.173  152.370   9.1640   3.4440   7.7545   4.2039   12.041   6.0057  686.496  189.399  850.120  222.885 -163.6243 292.4890 
1 1 1    5   22   13 o  432.307  179.872   0.7271   4.0257  -1.6355   5.5792   3.2931   5.8145  451.884  199.891  571.992  223.742 -120.1084 300.0284 
1 1 1    5   22   15 o  387.027  172.911  -1.7149   4.2811  -1.9694   5.8746  -1.4267   6.2518  458.561  203.866  484.587  213.096 -26.02606 294.9095 
1 1 1    5   22   17 o  1351.78  146.801   29.326   6.1138   35.440   8.3114   22.118   9.0251  1478.23  183.510  1143.49  258.173 334.7399 316.7481 
1 1 1    5   22   19 o  810.158  165.134   10.828   4.0470   15.639   4.6913  -3.1659   8.0017  979.408  158.377  524.347  235.173 455.0615 283.5309 
1 1 1    5   22   21 o  1027.80  185.678   17.427   5.7558   20.970   7.5020   12.358   8.9743  1119.93  221.774  873.167  285.271 246.7590 361.3350 
1 1 1    5   22   23 o  787.274  216.736   10.377   5.5119   17.953   7.1148  -0.9968   8.7169  1031.85  226.424  581.214  253.699 450.6416 340.0455 
1 1 1    5   22   25 f  1714.24  114.327   46.743   6.1015   48.240   7.0983   42.507   11.940  1737.26  131.462  1588.93  248.092 148.3348 280.7706 
1 1 1    5   22   27 o  633.945  197.908   6.5566   4.3574   6.5566   4.3574   0.0000   0.0000  633.945  197.908  ?   ?  0.000000 197.9076 
1 1 1    5   22   29 o  1028.98  207.481   18.115   6.4543   18.115   6.4543   0.0000   0.0000  1028.98  207.481  ?   ?  0.000000 207.4811 
1 1 1    5   22   31 f  2061.91  135.136   69.034   8.6765   69.034   8.6765   0.0000   0.0000  2061.91  135.136  ?   ?  0.000000 135.1356 
1 1 1    5   22   33 o  507.959  189.415   3.6214   4.0402   2.7645   4.3439   9.1144   10.998  489.764  192.839  768.948  305.546 -279.1842 361.3104 
1 1 1    5   22   35 o  751.934  196.499   10.153   4.6779   11.415   5.0728   2.9811   12.093  794.730  203.091  673.247  296.212 121.4836 359.1487 
1 1 1    5   22   37 o  716.151  215.200   9.5600   5.2153   9.5600   5.2153   0.0000   0.0000  716.151  215.200  ?   ?  0.000000 215.1996 
1 1 1    5   22   39 o  673.338  211.590   8.6074   4.9716   5.9685   5.3559   25.044   13.367  587.553  218.286  990.130  347.930 -402.5775 410.7362 
1 1 1    5   22   41 o  490.868  224.492  -0.7251   7.7303  -9.8321   9.3891   18.439   13.620  439.981  214.005  823.924  335.558 -383.9427 397.9915 
1 1 1    5   22   43 o  578.485  252.734   5.2541   8.6680   3.0654   10.657   9.5316   14.899  571.589  262.208  667.591  307.640 -96.00238 404.2216 
1 1 1    5   23    0 o  389.757  168.887  -0.5090   3.8047   1.4809   6.5391  -1.5274   4.6781  556.146  230.142  412.327  182.683 143.8188 293.8342 
1 1 1    5   23    2 f  505.120  173.305   3.7052   3.3068   5.4875   4.0912   0.3466   5.6161  595.481  192.482  495.192  209.636 100.2891 284.5989 
1 1 1    5   23    4 o  980.208  154.257   15.559   4.5781   15.824   6.3288   15.268   6.6306  977.280  212.844  958.122  224.873 19.15845 309.6295 
1 1 1    5   23    6 o  302.382  138.722  -2.1483   2.9836  -0.2310   3.7847  -5.2959   4.8493  395.530  169.901  356.261  167.865 39.26904 238.8405 
1 1 1    5   23    8 o  1140.15  147.781   20.893   5.1518   34.029   7.6895   10.195   6.9396  1454.45  172.183  797.468  249.884 656.9877 303.4620 
1 1 1    5   23   10 o  349.195  160.221  -2.8380   3.9820   1.8329   5.2750  -9.0257   6.0713  515.936  209.315  369.546  177.860 146.3899 274.6762 
1 1 1    5   23   12 o  750.066  202.183   9.2936   4.8564   17.761   6.3935  -2.2546   7.4665  1037.12  204.143  520.556  230.707 516.5687 308.0583 
1 1 1    5   23   14 o  754.328  172.803   9.4014   3.9940   13.416   4.6044  -2.7994   8.0269  904.934  168.701  533.027  237.551 371.9078 291.3597 
1 1 1    5   23   16 o  983.827  151.637   15.689   4.5212   14.653   5.2239   18.783   9.0256  943.314  183.464  1054.48  271.671 -111.1667 327.8173 
1 1 1    5   23   18 o  1082.31  140.789   18.850   4.6584   20.908   5.4558   13.314   8.9491  1137.17  157.444  902.685  283.916 234.4891 324.6488 
1 1 1    5   23   20 o  1000.51  193.022   16.549   5.8280   14.379   7.5767   19.695   9.1203  924.697  253.921  1076.58  270.798 -151.8880 371.2244 
1 1 1    5   23   22 o  1139.77  138.277   20.905   4.8339   24.644   5.5069   8.3504   10.091  1237.32  144.880  794.844  298.773 442.4726 332.0473 
1 1 1    5   23   24 o  960.367  173.863   15.233   5.0358   15.233   5.0358   0.0000   0.0000  960.367  173.863  ?   ?  0.000000 173.8630 
1 1 1    5   23   26 o  740.322  271.150   7.9732   8.2139   7.9732   8.2139   0.0000   0.0000  740.322  271.150  ?   ?  0.000000 271.1498 
1 1 1    5   23   28 o  608.749  235.156   4.5579   6.3613   9.4888   8.3975  -2.0817   9.7445  772.893  275.340  586.069  261.423 186.8238 379.6763 
1 1 1    5   23   30 o  1126.65  177.105   21.346   6.0418   30.317   7.0400  -3.7326   11.770  1349.68  170.376  614.480  279.464 735.1953 327.3045 
1 1 1    5   23   32 o  658.983  198.275   7.4899   4.4251   10.170   4.8205  -6.8654   11.157  761.351  199.719  556.197  259.674 205.1534 327.5950 
1 1 1    5   23   34 o  424.557  180.160   0.7068   4.1635   2.5191   4.4831 -10.6625   11.229  485.483  194.361  515.462  246.458 -29.97934 313.8756 
1 1 1    5   23   36 o  432.772  185.792   0.5841   4.5212   1.1065   4.8841  -2.5442   11.953  458.756  194.919  600.655  276.332 -141.8988 338.1607 
1 1 1    5   23   38 o  327.651  155.783  -4.5322   4.3580  -6.4305   4.6481   9.2680   12.533  317.097  153.352  741.991  313.586 -424.8939 349.0749 
1 1 1    5   23   40 o  437.398  192.085   0.3411   5.0646   0.8506   5.4072  -3.3028   14.460  459.138  200.129  605.430  286.653 -146.2921 349.6023 
1 1 1    5   24    1 f  685.596  170.152   7.7351   3.6356   9.3838   4.4904   4.5978   6.1942  754.292  190.167  621.145  233.960 133.1466 301.4982 
1 1 1    5   24    3 o  593.225  223.874   4.1453   5.6780   0.0000   0.0000   4.1453   5.6780  ?   ?   593.225  223.874 0.000000 223.8740 
1 1 1    5   24    5 o  427.450  184.180  -0.3776   4.4740   5.6711   6.7043  -5.2340   6.0072  663.835  244.691  414.150  192.413 249.6849 311.2819 
1 1 1    5   24    7 o  819.373  191.357   11.091   4.8207   18.354   7.2773   5.4106   6.4351  1052.07  227.527  649.627  239.681 402.4410 330.4781 
1 1 1    5   24    9 o  581.897  182.248   5.3296   3.6918   6.4195   4.4474   2.9143   6.6207  637.767  200.077  591.568  236.421 46.19983 309.7184 
1 1 1    5   24   11 o  589.484  187.325   5.4320   3.8875   5.2852   4.4993   5.8643   7.7215  596.636  202.173  693.979  261.251 -97.34259 330.3426 
1 1 1    5   24   13 o  367.259  161.838  -1.0179   3.6231  -0.2497   4.1628  -3.4172   7.3573  414.661  178.154  498.684  224.433 -84.02289 286.5464 
1 1 1    5   24   15 o  740.090  188.502   9.0536   4.3804   10.776   5.0501   3.8211   8.8019  806.255  200.797  677.021  271.880 129.2347 337.9912 
1 1 1    5   24   17 o  571.249  196.123   4.7860   4.2353   2.0965   4.8787   13.012   8.5323  506.982  202.831  892.884  276.640 -385.9025 343.0308 
1 1 1    5   24   19 o  711.369  260.943   6.8123   7.6113   6.8123   7.6113   0.0000   0.0000  711.369  260.943  ?   ?  0.000000 260.9428 
1 1 1    5   24   21 o  715.748  207.140   8.4471   4.9077   8.4471   4.9077   0.0000   0.0000  715.748  207.140  ?   ?  0.000000 207.1403 
1 1 1    5   24   23 o  782.147  184.575   10.236   4.4475   11.817   4.9791   3.9967   9.8927  839.459  193.404  699.707  285.589 139.7521 344.9146 
1 1 1    5   24   25 o  587.557  197.158   5.3560   4.2785   4.5269   4.7488   8.9305   9.8606  569.569  206.540  791.471  295.762 -221.9019 360.7411 
1 1 1    5   24   27 o  239.551  119.642  -9.7317   3.6865 -10.2553   3.9759  -6.5225   9.8435  250.643  125.034  535.044  247.784 -284.4011 277.5433 
1 1 1    5   24   29 o  414.235  196.612  -7.4609   6.8846   7.9861   8.5635 -35.6902   11.576  733.779  275.343  390.630  197.283 343.1486 338.7250 
1 1 1    5   24   31 o  621.782  283.502  -3.7464   12.211   0.0000   0.0000  -3.7464   12.211  ?   ?   621.782  283.502 0.000000 283.5023 
1 1 1    5   24   33 o  818.232  261.082   12.216   7.5456   2.3226   9.3444   30.757   12.792  623.308  267.332  1242.54  325.055 -619.2280 420.8650 
1 1 1    5   24   35 o  594.888  205.044   5.8786   4.6315   5.3701   4.9220   9.8090   13.685  582.349  210.411  799.281  332.021 -216.9310 393.0788 
1 1 1    5   24   37 o  477.147  192.556   2.4580   4.4387  -0.2748   4.6775   27.188   14.071  419.319  184.361  1084.99  357.337 -665.6696 402.0933 
1 1 1    5   24   39 o  518.887  211.679   3.2067   5.4314   5.1627   5.8384  -9.3751   14.807  577.579  224.678  580.400  278.959 -2.821472 358.1871 
1 1 1    5   25    0 o  1105.49  164.833   19.726   5.5314   18.617   8.5514   20.525   7.2531  1057.52  260.057  1117.92  215.009 -60.39990 337.4295 
1 1 1    5   25    2 o  901.641  245.511   13.421   7.1182   0.0000   0.0000   13.421   7.1182  ?   ?   901.641  245.511 0.000000 245.5111 
1 1 1    5   25    4 o  560.334  188.818   4.6543   3.9243   6.2720   4.8123   1.4428   6.7803  639.573  208.895  565.409  234.192 74.16455 313.8197 
1 1 1    5   25    6 o  549.581  187.407   4.4159   3.8663   9.2015   4.7568  -4.9003   6.6369  748.248  199.414  447.660  205.934 300.5885 286.6614 
1 1 1    5   25    8 o  510.697  189.733   3.1963   4.0464   5.9138   4.8968  -2.6541   7.1848  628.424  210.924  504.766  224.866 123.6580 308.3079 
1 1 1    5   25   10 o  612.936  192.331   5.9094   4.1094   5.4008   4.6849   7.6068   8.5581  605.600  206.294  756.905  276.842 -151.3052 345.2515 
1 1 1    5   25   12 o  1125.84  139.863   20.305   4.8243   19.307   5.6693   22.925   9.1850  1091.14  171.598  1172.38  257.269 -81.24438 309.2456 
1 1 1    5   25   14 o  399.365  180.863  -2.6836   4.8657  -2.6836   4.8657   0.0000   0.0000  399.365  180.863  ?   ?  0.000000 180.8633 
1 1 1    5   25   16 o  1113.06  185.876   20.239   6.2498   20.239   6.2498   0.0000   0.0000  1113.06  185.876  ?   ?  0.000000 185.8765 
1 1 1    5   25   18 o  788.995  230.033   10.265   6.0325   6.1243   7.7095   16.804   9.6880  696.400  261.266  999.379  291.555 -302.9784 391.4895 
1 1 1    5   25   20 o  722.150  237.261   8.2256   6.2046   8.6403   7.7197   7.4689   10.428  758.156  264.524  783.410  301.514 -25.25348 401.1031 
1 1 1    5   25   22 f  690.171  200.676   7.8839   4.5966   7.7526   5.1695   8.3796   10.045  690.512  215.560  789.758  297.841 -99.24640 367.6618 
1 1 1    5   25   24 o  950.564  171.185   14.974   4.9078   13.713   5.4956   19.945   10.907  901.260  199.965  1062.79  309.160 -161.5282 368.1926 
1 1 1    5   25   26 o  709.297  204.366   8.4817   4.7867   8.8620   5.2249   6.4956   11.940  725.175  214.833  777.953  315.156 -52.77722 381.4137 
1 1 1    5   25   28 o  673.498  210.398   7.5687   4.9239   14.095   5.3936 -25.0781   12.063  909.244  195.275  456.453  226.016 452.7904 298.6895 
1 1 1    5   25   30 o  1009.70  173.010   17.142   5.2731   15.963   5.8364   22.380   12.303  963.291  200.036  1084.48  331.569 -121.1880 387.2374 
1 1 1    5   25   32 o  750.383  219.945   9.8818   5.5019   10.341   6.0843   7.8227   12.887  766.021  232.948  787.328  324.178 -21.30676 399.1939 
1 1 1    5   25   34 o  776.701  275.338   10.627   8.3875   11.646   10.723   9.0214   13.462  817.374  307.841  799.777  330.523 17.59686 451.6764 
1 1 1    5   25   36 o  985.078  283.946   19.117   9.2386   17.219   11.606   22.401   15.264  919.926  324.119  1007.20  369.525 -87.27307 491.5296 
1 1 1    5   26    1 o  352.808  170.522  -9.1739   5.7269   0.0000   0.0000  -9.1739   5.7269  ?   ?   352.808  170.522 0.000000 170.5218 
1 1 1    5   26    3 o  495.581  188.723   2.7208   4.0581   2.3792   5.1269   3.2938   6.6405  526.409  208.789  602.914  238.098 -76.50500 316.6755 
1 1 1    5   26    5 o  684.088  196.261   7.5947   4.4231   8.7657   5.2594   4.7657   8.1746  735.573  214.883  682.872  265.796 52.70099 341.7930 
1 1 1    5   26    7 o  512.260  194.117   2.9858   4.2801   1.2522   5.0303   7.5323   8.1463  492.766  202.674  747.086  270.577 -254.3199 338.0664 
1 1 1    5   26    9 o  730.784  264.258   7.2399   7.7659   7.2399   7.7659   0.0000   0.0000  730.784  264.258  ?   ?  0.000000 264.2584 
1 1 1    5   26   11 o  1442.02  150.679   33.208   6.7031   33.208   6.7031   0.0000   0.0000  1442.02  150.679  ?   ?  0.000000 150.6786 
1 1 1    5   26   13 o  654.400  209.440   6.7066   4.8530   6.9210   5.7020   6.1432   9.2436  676.812  227.604  737.252  283.840 -60.44061 363.8246 
1 1 1    5   26   15 o  770.810  204.021   9.8461   5.0013   11.109   5.6920   5.5694   10.474  817.751  218.232  753.481  298.565 64.26996 369.8197 
1 1 1    5   26   17 o  803.411  236.483   10.652   6.3486   11.152   8.1202   9.8653   10.182  834.671  271.292  833.056  302.382 1.615479 406.2443 
1 1 1    5   26   19 o  787.354  203.134   10.362   5.0413   11.757   5.7513   5.7382   10.474  837.079  217.460  750.608  298.199 86.47119 369.0686 
1 1 1    5   26   21 o  796.783  198.381   10.655   4.9303   11.367   5.5217   7.8534   10.950  821.581  212.900  797.434  308.394 24.14716 374.7445 
1 1 1    5   26   23 o  815.239  196.680   11.200   4.9628   12.606   5.5164   5.2269   11.367  863.437  206.770  753.545  306.680 109.8920 369.8741 
1 1 1    5   26   25 o  757.556  207.821   9.7140   5.0782   10.918   5.5412   3.4007   12.690  801.021  215.991  748.945  315.987 52.07593 382.7534 
1 1 1    5   26   27 o  508.082  200.578   2.6274   4.7111   2.1196   5.1367   5.3161   11.819  509.535  206.612  753.783  310.424 -244.2481 372.8961 
1 1 1    5   26   29 o  713.536  210.475   8.6671   5.0242   4.8435   5.4856   28.573   12.516  593.080  220.800  1239.39  320.227 -646.3134 388.9700 
1 1 1    5   26   31 o  588.027  214.431   5.0531   5.1289  -0.3966   5.5454   37.303   13.490  463.934  202.432  1412.15  313.276 -948.2137 372.9893 
1 1 1    5   26   33 o  640.109  236.370   6.1904   6.2612   7.4329   6.9012   0.4082   14.887  684.689  248.879  722.809  322.719 -38.11932 407.5399 
1 1 1    5   26   35 o  315.901  154.958  -9.6050   5.2357  -8.6033   5.6614 -15.5247   13.763  345.027  167.439  546.724  264.271 -201.6964 312.8502 
1 1 1    5   27    0 o  861.339  268.942   11.843   8.0464   0.0000   0.0000   11.843   8.0464  ?   ?   861.339  268.942 0.000000 268.9418 
1 1 1    5   27    2 o  671.658  223.921   6.8107   5.5191   16.865   7.3327  -6.3285   8.3825  1008.52  236.328  500.452  230.669 508.0683 330.2408 
1 1 1    5   27    4 o  345.680  170.992 -15.5351   6.8400 -15.5351   6.8400   0.0000   0.0000  345.680  170.992  ?   ?  0.000000 170.9919 
1 1 1    5   27    6 o  972.930  261.225   15.723   8.1258   15.723   8.1258   0.0000   0.0000  972.930  261.225  ?   ?  0.000000 261.2251 
1 1 1    5   27    8 o  1002.99  167.483   16.345   5.0745   16.635   5.8124   15.415   10.406  1007.25  191.284  975.625  306.046 31.62622 360.9066 
1 1 1    5   27   10 o  511.140  216.249   0.4131   5.9699  -0.3785   7.3877   1.9029   10.134  550.558  236.951  680.994  284.540 -130.4352 370.2824 
1 1 1    5   27   12 o  657.489  214.806   6.6919   5.0884   6.0711   5.9022   8.4889   10.042  654.100  231.068  804.628  298.901 -150.5283 377.8018 
1 1 1    5   27   14 o  689.240  216.792   7.5685   5.2177   7.1947   5.9408   8.8299   10.913  688.520  232.316  826.835  310.717 -138.3148 387.9641 
1 1 1    5   27   16 o  425.866  195.696  -4.2051   5.9714  -3.9882   7.4650  -4.5905   9.9507  492.379  223.402  574.654  259.592 -82.27548 342.4858 
1 1 1    5   27   18 o  871.810  198.625   12.688   5.3012   11.169   6.0370   17.804   11.080  817.638  227.489  1025.84  314.818 -208.2043 388.4092 
1 1 1    5   27   20 o  1088.47  172.193   19.403   5.6735   20.529   6.4426   15.516   11.975  1114.97  191.432  974.593  329.824 140.3730 381.3525 
1 1 1    5   27   22 o  665.522  214.563   7.0798   5.0862   6.8989   5.6273   7.8870   11.888  668.070  226.100  814.536  319.556 -146.4664 391.4556 
1 1 1    5   27   24 o  640.531  236.751   5.5836   6.2843   11.801   7.1577 -15.3302   13.127  835.737  252.331  559.326  267.167 276.4118 367.4902 
1 1 1    5   27   26 o  786.148  208.685   10.503   5.2227   13.383   5.7403  -3.3404   12.585  886.307  210.051  656.378  294.625 229.9288 361.8359 
1 1 1    5   27   28 o  672.673  219.899   7.3634   5.3322   12.193   5.8277 -17.4674   13.214  841.781  219.007  539.837  260.446 301.9442 340.2881 
1 1 1    5   27   30 o  829.512  238.736   11.997   6.5354   8.0694   7.2419   29.229   15.169  717.398  255.681  1228.55  366.530 -511.1543 446.8977 
1 1 1    5   27   32 o  872.639  240.887   13.534   6.7980   14.420   7.7736   10.653   14.016  895.641  261.128  857.333  343.508 38.30829 431.4923 
1 1 1    5   28    1 o  672.097  271.860   3.3551   8.8699   3.3551   8.8699   0.0000   0.0000  672.097  271.860  ?   ?  0.000000 271.8596 
1 1 1    5   28    3 o  558.982  209.107   3.7738   4.9316   5.2473   5.7159  -0.5176   9.7543  626.400  226.682  631.011  271.922 -4.611084 354.0147 
1 1 1    5   28    5 o  468.186  197.582   0.3833   4.9637   3.1466   5.7423  -7.7849   9.8727  567.973  222.300  537.281  248.584 30.69153 333.4835 
1 1 1    5   28    7 o  747.491  246.864   8.6148   6.7138   4.4858   8.6058   15.036   10.732  686.463  271.064  968.209  311.620 -281.7465 413.0163 
1 1 1    5   28    9 o  458.317  205.726  -2.7279   6.1366  -2.4885   7.5887  -3.1803   10.431  522.152  231.943  612.487  272.010 -90.33551 357.4726 
1 1 1    5   28   11 o  1128.39  212.471   21.007   7.2317   20.013   9.3232   22.508   11.458  1089.79  273.613  1151.85  310.594 -62.05908 413.9237 
1 1 1    5   28   13 o  621.020  219.624   5.4583   5.3335   7.1919   6.1667   0.3115   10.625  692.838  236.678  667.135  285.568 25.70313 370.8985 
1 1 1    5   28   15 o  3450.57  222.776  192.540   23.941  192.540   23.941   0.0000   0.0000  3450.57  222.776  ?   ?  0.000000 222.7758 
1 1 1    5   28   17 o  761.380  220.564   9.5700   5.5620   12.589   6.3288  -0.6703   11.657  866.701  229.559  679.493  295.026 187.2086 373.8147 
1 1 1    5   28   19 o  424.401  189.309  -1.8788   5.1100  -1.8283   5.7019  -2.0848   11.518  452.468  201.017  654.194  288.401 -201.7259 351.5434 
1 1 1    5   28   21 o  941.180  193.063   14.760   5.4988   13.993   6.1109   18.022   12.606  911.196  217.242  1033.84  338.116 -122.6483 401.8907 
1 1 1    5   28   23 o  436.765  192.655  -1.2596   5.1466   3.5706   5.6444 -25.0766   12.534  569.697  221.108  477.540  235.326 92.15656 322.9038 
1 1 1    5   28   25 o  545.367  214.264   3.0716   5.3517   7.5580   5.8288 -21.0187   13.507  690.558  230.113  529.308  257.273 161.2501 345.1690 
1 1 1    5   28   27 o  674.261  244.276   6.6087   6.6403   7.3928   7.5955   4.0663   13.677  713.560  260.836  778.983  328.319 -65.42340 419.3191 
1 1 1    5   28   29 o  478.586  211.557  -1.3103   6.2390   5.6541   6.9416 -30.5822   14.231  652.271  247.202  489.275  242.828 162.9959 346.5177 
1 1 1    5   29    0 o  1108.95  223.040   20.305   7.4764   15.178   10.391   25.808   10.766  969.982  306.045  1240.68  283.338 -270.7003 417.0658 
1 1 1    5   29    2 o  533.300  223.454   0.8617   6.2755   0.8617   6.2755   0.0000   0.0000  533.300  223.454  ?   ?  0.000000 223.4544 
1 1 1    5   29    4 o  571.903  215.987   3.8332   5.2875   7.9646   6.0685  -9.1887   10.774  717.490  234.594  553.097  257.205 164.3937 348.1214 
1 1 1    5   29    6 o  602.660  220.616   4.7251   5.4366   4.5214   6.2616   5.3490   10.958  620.575  234.880  764.686  304.625 -144.1111 384.6616 
1 1 1    5   29    8 o  575.507  218.940   3.7833   5.4582   3.0083   6.1972   6.4638   11.525  579.355  229.627  797.892  314.126 -218.5366 389.1062 
1 1 1    5   29   10 o  931.414  256.736   14.445   7.7285   9.3840   9.9075   22.312   12.352  822.531  298.319  1148.98  327.435 -326.4506 442.9536 
1 1 1    5   29   12 o  396.421  188.962  -8.3248   6.4962   0.2097   8.0644 -24.0970   10.963  584.496  249.453  439.212  217.115 145.2838 330.7055 
1 1 1    5   29   14 o  980.746  246.779   16.145   7.5722   19.365   9.6323   10.936   12.252  1069.97  283.110  893.605  330.512 176.3644 435.1888 
1 1 1    5   29   16 o  842.956  265.675   11.525   7.8320   15.924   10.234   5.3064   12.168  979.576  302.884  786.832  318.362 192.7442 439.4234 
1 1 1    5   29   18 o  452.267  197.174  -0.8297   5.2511  -2.0690   5.7427   5.4930   12.971  450.585  200.860  805.851  327.749 -355.2661 384.4014 
1 1 1    5   29   20 o  410.732  188.349  -3.7074   5.4921  -3.4216   6.0996  -4.9315   12.624  443.015  201.365  651.236  293.453 -208.2205 355.8970 
1 1 1    5   29   22 o  942.411  244.479   15.079   7.2760   10.090   8.6498   27.152   13.455  808.674  280.128  1241.46  337.333 -432.7844 438.4807 
1 1 1    5   29   24 o  554.459  232.079   1.3355   6.7588   6.3626   7.7003 -15.5339   14.106  695.723  261.091  588.192  279.838 107.5311 382.7240 
1 1 1    5   29   26 o  521.202  215.157   1.6331   5.6952   0.9608   6.2202   5.1193   14.164  525.704  221.481  809.947  337.232 -284.2430 403.4586 
1 1 1    5   30    1 o  533.870  215.734   2.0332   5.5796   2.3038   6.4147   1.1922   11.309  570.857  231.093  704.962  297.907 -134.1048 377.0310 
1 1 1    5   30    3 o  574.610  235.124   1.9859   6.7268   1.9859   6.7268   0.0000   0.0000  574.610  235.124  ?   ?  0.000000 235.1242 
1 1 1    5   30    5 o  472.589  204.385  -0.6017   5.5507   1.7990   6.3034  -8.8917   11.713  555.060  227.419  587.438  271.431 -32.37860 354.1104 
1 1 1    5   30    7 o  395.348  183.350  -4.5994   5.4179  -1.0219   6.2054 -16.0726   11.113  492.245  214.481  501.082  241.036 -8.837708 322.6464 
1 1 1    5   30    9 o  596.566  231.191   3.7276   6.1639   0.0555   7.0305   15.929   12.815  545.401  232.844  1009.62  341.211 -464.2177 413.0873 
1 1 1    5   30   11 o  407.791  189.610  -5.1436   5.8523  -5.4585   6.7609  -4.2027   11.687  444.230  205.595  638.846  285.535 -194.6155 351.8520 
1 1 1    5   30   13 o  681.648  258.292   5.5553   7.5776  -2.2390   9.5483   18.816   12.454  595.892  262.650  1067.19  334.821 -471.2991 425.5466 
1 1 1    5   30   15 o  470.746  206.686  -1.3199   5.8610   0.9124   6.5643 -10.0951   13.015  543.674  228.207  612.774  284.182 -69.09955 364.4690 
1 1 1    5   30   17 o  943.239  349.683   12.367   13.730   0.0000   0.0000   12.367   13.730  ?   ?   943.239  349.683 0.000000 349.6834 
1 1 1    5   30   19 o  958.192  352.503   13.196   13.904   0.0000   0.0000   13.196   13.904  ?   ?   958.192  352.503 0.000000 352.5026 
1 1 1    5   30   21 o  1000.83  216.988   16.773   6.6040   10.787   7.2669   45.164   15.826  813.348  255.849  1617.09  323.846 -803.7424 412.7163 
1 1 1    5   30   23 o  614.555  235.204   4.4422   6.3231   3.7089   6.9174   8.1688   15.593  613.722  242.806  893.092  360.733 -279.3698 434.8373 
1 1 1    5   31    0 o  1060.84  256.735   18.745   8.4361   8.0934   11.208   32.666   12.813  825.258  313.788  1396.20  301.880 -570.9459 435.4245 
1 1 1    5   31    2 o  1088.25  201.929   19.398   6.6276   13.408   7.6246   37.918   13.406  902.836  257.242  1508.41  294.390 -605.5692 390.9464 
1 1 1    5   31    4 o  903.347  255.999   13.439   7.5721   13.439   7.5721   0.0000   0.0000  903.347  255.999  ?   ?  0.000000 255.9986 
1 1 1    5   31    6 o  356.296  172.720  -9.9431   5.9805 -14.9469   6.9364   4.5498   11.805  354.061  174.591  773.076  313.307 -419.0154 358.6690 
1 1 1    5   31    8 o  581.276  235.497   2.3818   6.6671   6.8714   7.8369  -9.3812   12.685  722.530  264.821  613.151  283.014 109.3787 387.5912 
1 1 1    5   31   10 o  1069.11  363.697   17.855   14.561   0.0000   0.0000   17.855   14.561  ?   ?   1069.11  363.697 0.000000 363.6974 
1 1 1    5   31   12 o  503.692  231.432  -5.8622   8.3480  -7.3697   10.358  -3.0688   14.100  558.262  256.983  722.792  318.849 -164.5300 409.5176 
1 1 1    5   31   14 o  654.894  261.093   3.7853   8.0555   8.4680   10.025  -4.7482   13.533  804.474  298.689  686.305  306.965 118.1683 428.3015 
1 1 1    5   31   16 o  469.556  207.536  -1.7225   6.0019  -1.7403   6.5800  -1.6340   14.643  493.675  217.793  751.747  328.458 -258.0718 394.1046 
1 1 1    5   31   18 o  647.966  235.960   5.6489   6.2074   5.2775   6.9207   7.1769   14.039  656.192  247.273  859.394  343.981 -203.2025 423.6357 
1 1 1    5   32    1 o  589.520  253.563  -0.4453   8.4496  -7.0862   10.979   9.2009   13.233  584.588  267.423  888.661  340.219 -304.0727 432.7399 
1 1 1    5   32    3 o  533.995  227.535   0.0702   6.6900  -0.8037   7.6509   2.9088   13.788  554.453  239.873  798.222  332.569 -243.7692 410.0500 
1 1 1    5   32    5 o  464.580  214.153  -5.5038   7.2276  -5.5038   7.2276   0.0000   0.0000  464.580  214.153  ?   ?  0.000000 214.1533 
1 1 1    5   32    7 o  776.180  286.989   7.7774   9.2360  -1.8232   12.839   18.073   13.296  706.280  308.105  1064.65  347.202 -358.3743 464.1958 
1 1 1    5   32    9 o  916.221  360.556   8.7042   15.178   0.0000   0.0000   8.7042   15.178  ?   ?   916.221  360.556 0.000000 360.5564 
1 1 1    5   32   11 o  416.552  197.255  -8.0068   6.8521  -6.4509   7.7112 -13.8462   14.938  471.570  218.714  638.344  298.824 -166.7742 370.3125 
1 1 1    6    0    2 o  4717.06   19.147  348.391   2.8280  348.391   2.8280  348.391   2.8280  4717.06   19.147  4717.06   19.147 -0.000000 0.000000 
1 1 1    6    0    4 o  4755.92   84.199  354.723   12.530  354.723   12.530  354.723   12.530  4755.92   84.199  4755.92   84.199 -0.000000 0.000000 
1 1 1    6    0    6 o  4973.53  178.154  390.201   27.664  390.201   27.664  390.201   27.664  4973.53  178.154  4973.53  178.154 -0.000000 0.000000 
1 1 1    6    0    8 o  2881.70  123.570  131.006   11.103  131.006   11.103  131.006   11.103  2881.70  123.570  2881.70  123.570 -0.000000 0.000000 
1 1 1    6    0   10 o  3073.63  183.936  150.387   17.557  150.387   17.557  150.387   17.557  3073.63  183.936  3073.63  183.936 -0.000000 0.000000 
1 1 1    6    0   12 o  3653.41  143.160  210.941   16.320  210.941   16.320  210.941   16.320  3653.41  143.160  3653.41  143.160 -0.000000 0.000000 
1 1 1    6    0   14 o  849.708  144.910   12.302   3.5188   12.302   3.5188   12.302   3.5188  849.708  144.910  849.708  144.910 -0.000000 0.000000 
1 1 1    6    0   16 o  1218.39   95.175   23.730   3.5800   23.730   3.5800   23.730   3.5800  1218.39   95.175  1218.39   95.175 -0.000000 0.000000 
1 1 1    6    0   18 o  507.190  109.667   4.5613   1.5275   4.5613   1.5275   4.5613   1.5275  507.190  109.667  507.190  109.667 -0.000000 0.000000 
1 1 1    6    0   22 o  326.681  151.097   2.4607   1.7053   2.4607   1.7053   2.4607   1.7053  326.681  151.097  326.681  151.097 -0.000000 0.000000 
1 1 1    6    0   24 o  149.391   92.498   0.2469   0.8587   0.2469   0.8587   0.2469   0.8587  149.391   92.498  149.391   92.498 -0.000000 0.000000 
1 1 1    6    0   26 o  210.613  119.698   0.9166   1.2273   0.9166   1.2273   0.9166   1.2273  210.613  119.698  210.613  119.698 -0.000000 0.000000 
1 1 1    6    0   28 o  2830.73  125.041  127.810   11.034  127.810   11.034  127.810   11.034  2830.73  125.041  2830.73  125.041 -0.000000 0.000000 
1 1 1    6    0   30 o  2186.53  161.233   77.800   10.901   77.800   10.901   77.800   10.901  2186.53  161.233  2186.53  161.233 -0.000000 0.000000 
1 1 1    6    0   32 o  942.680  174.688   15.625   4.6357   15.625   4.6357   15.625   4.6357  942.680  174.688  942.680  174.688 -0.000000 0.000000 
1 1 1    6    0   36 o  426.850  225.020   4.3686   4.0044   4.3686   4.0044   4.3686   4.0044  426.850  225.020  426.850  225.020 -0.000000 0.000000 
1 1 1    6    0   38 o  1714.30  153.393   48.025   8.0824   48.025   8.0824   48.025   8.0824  1714.30  153.393  1714.30  153.393 -0.000000 0.000000 
1 1 1    6    0   40 o  264.346  160.384   1.0779   2.4643   1.0779   2.4643   1.0779   2.4643  264.346  160.384  264.346  160.384 -0.000000 0.000000 
1 1 1    6    0   42 o  722.999  199.443   10.060   3.9048   10.060   3.9048   10.060   3.9048  722.999  199.443  722.999  199.443 -0.000000 0.000000 
1 1 1    6    0   44 o  1225.11  158.890   25.147   5.8124   25.147   5.8124   25.147   5.8124  1225.11  158.890  1225.11  158.890 -0.000000 0.000000 
1 1 1    6    0   46 o  3505.57  206.722  202.055   22.511  202.055   22.511  202.055   22.511  3505.57  206.722  3505.57  206.722 -0.000000 0.000000 
1 1 1    6    0   48 o  315.393  187.705   1.8508   3.2489   1.8508   3.2489   1.8508   3.2489  315.393  187.705  315.393  187.705 -0.000000 0.000000 
1 1 1    6    0   50 o  953.405  194.901   16.541   5.1448   16.541   5.1448   16.541   5.1448  953.405  194.901  953.405  194.901 -0.000000 0.000000 
1 1 1    6    1    1 o  149.346   58.259   0.2079   0.3934   0.4594   0.5691  -0.0222   0.5444  193.581   71.301  151.736   64.788 41.84474 96.33977 
1 1 1    6    1    3 o   73.035   33.248  -0.1081   0.1671  -0.1367   0.2490  -0.0847   0.2254   91.103   41.119   90.140   40.010 0.9629059 57.37241 
1 1 1    6    1    5 o  643.821   62.763   6.5571   1.2492   6.4635   1.7680   6.6505   1.7652  635.430   91.498  644.980   89.843 -9.549927 128.2323 
1 1 1    6    1    7 o  3180.13   91.963  158.699   9.1574  155.825   12.950  161.574   12.951  3147.44  131.397  3205.24  129.045 -57.79956 184.1680 
1 1 1    6    1    9 o  1299.70   66.513   26.557   2.6978   26.619   3.8144   26.494   3.8161  1298.49   94.461  1295.39   94.738 3.102295 133.7840 
1 1 1    6    1   11 o  1596.89   98.708   40.259   4.9114   42.103   6.9424   38.412   6.9493  1626.96  137.563  1552.15  144.650 74.81287 199.6179 
1 1 1    6    1   13 o  1360.00   95.804   29.264   4.0537   29.264   4.0537   0.0000   0.0000  1360.00   95.804  ?   ?  0.000000 95.80414 
1 1 1    6    1   15 o  1745.71   70.485   47.890   3.8529   45.317   5.4450   50.470   5.4526  1691.50  103.299  1786.43   97.849 -94.93738 142.2856 
1 1 1    6    1   17 o  3689.56  208.852  221.459   24.029   0.0000   0.0000  221.459   24.029  ?   ?   3689.56  208.852 0.000000 208.8520 
1 1 1    6    1   19 o  2380.23  163.064   91.396   12.080   0.0000   0.0000   91.396   12.080  ?   ?   2380.23  163.064 0.000000 163.0639 
1 1 1    6    1   21 o  1350.03   77.155   28.841   3.2480   29.723   3.9843   27.093   5.6080  1367.20   93.633  1292.32  140.868 74.88220 169.1476 
1 1 1    6    1   23 o  652.193   93.551   6.8940   1.8558   5.3260   2.5753   8.5878   2.6766  562.325  145.238  721.719  122.839 -159.3942 190.2194 
1 1 1    6    1   25 o  1018.61   78.564   16.577   2.4864   17.367   4.2435   16.164   3.0683  1023.18  135.807  999.802   99.325 23.37885 168.2524 
1 1 1    6    1   27 f  1891.43  107.652   58.027   6.3494   61.236   8.9478   54.773   9.0113  1911.99  150.676  1798.94  161.704 113.0590 221.0236 
1 1 1    6    1   29 o  1033.34  100.471   17.421   3.2098   0.0000   0.0000   17.421   3.2098  ?   ?   1033.34  100.471 0.000000 100.4715 
1 1 1    6    1   31 o  1398.35   81.779   31.547   3.5652   36.333   6.2293   29.216   4.3477  1462.95  137.602  1332.80  105.028 130.1442 173.1044 
1 1 1    6    1   33 o  1258.89   72.288   25.546   2.8376   25.686   3.9900   25.403   4.0363  1244.03  103.365  1235.79  105.314 8.236084 147.5644 
1 1 1    6    1   35 f  1501.56   84.639   36.765   3.9633   35.409   4.9096   39.302   6.7150  1455.09  108.537  1497.04  145.070 -41.95459 181.1788 
1 1 1    6    1   37 o  546.955  145.203   5.3781   2.5284   4.6987   3.0242   6.9555   4.6083  510.718  165.532  601.323  204.602 -90.60477 263.1783 
1 1 1    6    1   39 o  1835.49  164.514   60.857   9.3549   60.857   9.3549   0.0000   0.0000  1835.49  164.514  ?   ?  0.000000 164.5140 
1 1 1    6    1   41 o  402.572  154.208   2.4407   2.7195   2.4407   2.7195   0.0000   0.0000  402.572  154.208  ?   ?  0.000000 154.2076 
1 1 1    6    1   43 o  3216.42  262.719  243.898   26.228   0.0000   0.0000  243.898   26.228  ?   ?   3216.42  262.719 0.000000 262.7187 
1 1 1    6    1   45 o  1423.93  171.394   39.745   7.4884   0.0000   0.0000   39.745   7.4884  ?   ?   1423.93  171.394 0.000000 171.3940 
1 1 1    6    1   47 o  2237.58  127.811   92.529   8.9178   87.339   12.612   97.719   12.612  1939.07  211.129  2104.82  193.521 -165.7454 286.4014 
1 1 1    6    1   49 o  488.019  159.925   5.6742   2.8197   6.4158   4.1195   5.0205   3.8676  475.280  187.584  437.871  178.627 37.40884 259.0274 
1 1 1    6    1   51 o  1273.07  305.604   83.229   12.028   83.229   12.028   0.0000   0.0000  1273.07  305.604  ?   ?  0.000000 305.6045 
1 1 1    6    1   53 o  568.178  227.155   22.372   6.1144   0.0000   0.0000   22.372   6.1144  ?   ?   568.178  227.155 0.000000 227.1554 
1 1 1    6    1   55 o  792.442  201.766   27.940   5.0197   29.941   7.3069   26.151   6.9078  444.636  208.414  429.657  201.792 14.97836 290.0973 
1 1 1    6    1   57 o  254.732  126.004   4.0645   3.7143   9.3067   5.4820  -0.3844   5.0502  270.189  136.372  ?   ?  0.000000 136.3718 
1 1 1    6    2    0 o  179.428   66.770   0.3811   0.5015   0.3501   0.7158   0.4110   0.7029  199.286   78.339  202.582   78.193 -3.296036 110.6850 
1 1 1    6    2    2 o  ?   ?   -0.3685   0.0952  -0.5246   0.1284  -0.1780   0.1418  ?   ?    59.428   28.209 0.000000 28.20927 
1 1 1    6    2    4 o  3253.50  107.833  166.156   10.985  165.180   13.452  168.110   19.034  3241.78  132.521  3258.79  187.324 -17.00854 229.4609 
1 1 1    6    2    6 o  6491.40  156.256  663.876   31.761  656.324   44.916  671.428   44.918  6433.58  222.961  6508.12  220.417 -74.54053 313.5206 
1 1 1    6    2    8 o  1564.29   79.436   38.488   3.8782   39.473   4.7482   36.513   6.7217  1582.56   96.276  1515.47  143.352 67.09229 172.6814 
1 1 1    6    2   10 o  1598.24   68.245   40.071   3.4153   38.167   4.8257   41.982   4.8342  1554.91   99.640  1631.64   95.033 -76.72144 137.6926 
1 1 1    6    2   12 o  3220.91  130.730  163.981   13.185  157.335   18.633  170.646   18.659  3132.72  190.862  3265.96  183.197 -133.2378 264.5556 
1 1 1    6    2   14 o  1214.77   77.050   23.291   2.9156   25.697   5.0364   22.079   3.5757  1267.52  128.680  1179.63   97.684 87.88806 161.5573 
1 1 1    6    2   16 o  1422.40   68.014   31.791   3.0293   31.260   4.2841   32.321   4.2839  1404.41   98.036  1428.45   96.340 -24.04553 137.4496 
1 1 1    6    2   18 o  945.865   77.137   14.174   2.2647   12.334   3.9521   15.073   2.7634  866.926  151.080  973.316   91.756 -106.3901 176.7609 
1 1 1    6    2   20 o  871.410   75.150   12.050   2.0305   11.830   3.4914   12.163   2.4960  850.699  135.626  872.456   92.790 -21.75684 164.3304 
1 1 1    6    2   22 o  797.767  136.104   10.508   3.2779   0.0000   0.0000   10.508   3.2779  ?   ?   797.767  136.104 0.000000 136.1044 
1 1 1    6    2   24 o  1707.73   96.442   46.693   5.1360   39.391   7.1735   54.373   7.3567  1543.57  150.326  1827.48  129.398 -283.9100 198.3479 
1 1 1    6    2   26 o  1795.61   70.309   51.142   3.9531   51.449   5.5917   50.836   5.5894  1786.42  100.371  1775.42  100.959 11.00146 142.3623 
1 1 1    6    2   28 o  1166.81   68.735   21.694   2.5002   22.336   3.5377   21.053   3.5339  1174.00   97.106  1138.34  100.163 35.65564 139.5074 
1 1 1    6    2   30 o  1659.19  106.028   45.030   5.4797   53.000   7.7255   36.961   7.7737  1772.79  140.319  1450.81  174.628 321.9845 224.0188 
1 1 1    6    2   32 o  588.717   96.381   5.7858   1.7152   7.0744   2.1208   3.3490   2.9163  647.466  108.443  453.684  162.193 193.7818 195.1057 
1 1 1    6    2   34 o  1002.18   75.119   16.275   2.3401   16.253   3.2813   16.297   3.3384  984.089  108.277  984.259  110.212 -0.1696777 154.5009 
1 1 1    6    2   36 o  1734.67   87.385   49.082   4.7312   42.589   7.9653   52.622   5.8811  1535.11  168.479  1779.62  106.020 -244.5051 199.0609 
1 1 1    6    2   40 o  2352.32  122.052   94.360   8.9591   89.986   12.723   98.662   12.618  2178.71  188.344  2306.77  176.020 -128.0598 257.7917 
1 1 1    6    2   42 o  536.358  179.125   5.5868   3.5314   5.5868   3.5314   0.0000   0.0000  536.358  179.125  ?   ?  0.000000 179.1247 
1 1 1    6    2   44 o  2875.86  236.337  185.606   21.094  185.606   21.094   0.0000   0.0000  2875.86  236.337  ?   ?  0.000000 236.3367 
1 1 1    6    2   46 o  1109.85  187.222   25.725   6.2748   25.725   6.2748   0.0000   0.0000  1109.85  187.222  ?   ?  0.000000 187.2223 
1 1 1    6    2   48 f  1325.03  122.147   33.107   5.0108   29.954   7.1543   36.143   7.0204  1081.48  218.780  1265.00  182.519 -183.5134 284.9170 
1 1 1    6    2   50 o  1307.80  133.341   36.556   5.3840   39.452   7.7393   33.841   7.4948  1104.54  231.191  973.987  245.753 130.5497 337.4081 
1 1 1    6    2   52 o  1132.40  158.517   34.233   5.4667   22.939   7.9108   44.556   7.5631  492.167  225.823  1057.77  234.499 -565.6001 325.5550 
1 1 1    6    2   54 o  267.190  133.109   0.5560   4.4430   0.0000   0.0000   0.5560   4.4430  ?   ?   267.190  133.109 0.000000 133.1094 
1 1 1    6    2   56 o  418.481  183.689   15.833   4.6266   10.633   6.8298   20.243   6.2896  282.717  143.649  359.017  174.746 -76.29974 226.2106 
1 1 1    6    2   58 o  270.680  134.574   9.6028   4.4463   5.8423   6.5893   12.746   6.0247  ?   ?   ?   ?  0.000000      ? 
1 1 1    6    3    1 o  355.598   91.111   2.0588   1.0191   2.3146   1.4457   1.8062   1.4367  381.484  113.002  347.245  114.177 34.23880 160.6419 
1 1 1    6    3    3 o  3270.04   93.005  167.739   9.5230  148.885   13.463  186.619   13.472  3077.04  139.730  3446.49  124.838 -369.4534 187.3737 
1 1 1    6    3    5 o  2410.21   79.954   91.097   6.0341   90.351   8.5336   91.842   8.5334  2398.33  113.633  2418.12  112.701 -19.78296 160.0439 
1 1 1    6    3    7 f  1776.06  101.444   49.704   5.6182   49.704   5.6182   0.0000   0.0000  1776.06  101.444  ?   ?  0.000000 101.4436 
1 1 1    6    3    9 o  554.087   75.947   4.9072   1.2830   5.2502   2.2230   4.7359   1.5710  566.099  128.368  540.979   96.274 25.11981 160.4584 
1 1 1    6    3   11 o  282.957   88.914   1.2425   0.8779   0.8516   1.1770   1.7326   1.3181  271.561  102.043  337.180  109.281 -65.61923 149.5166 
1 1 1    6    3   13 o  1946.15  102.845   59.874   6.2450   55.448   8.8116   64.340   8.8520  1861.77  152.490  2009.19  141.610 -147.4188 208.1019 
1 1 1    6    3   15 o  2607.32  117.317  107.527   9.5780  106.168   13.523  108.895   13.567  2571.63  168.881  2605.21  167.198 -33.57813 237.6468 
1 1 1    6    3   17 o  1648.68   81.366   42.792   4.2004   44.064   7.2548   42.150   5.1518  1658.18  141.067  1630.72  101.394 27.45288 173.7259 
1 1 1    6    3   19 o  2131.04  108.413   72.123   7.2103   0.0000   0.0000   72.123   7.2103  ?   ?   2131.04  108.413 0.000000 108.4133 
1 1 1    6    3   21 o  2734.26   96.684  118.522   8.2777  119.765   14.348  117.902   10.134  2708.90  170.014  2718.39  119.061 -9.496338 207.5576 
1 1 1    6    3   23 o  936.584   72.781   13.951   2.1177   15.238   2.6034   11.434   3.6407  976.168   86.052  827.419  145.850 148.7488 169.3431 
1 1 1    6    3   25 o  1800.73   84.183   51.642   4.7467   46.436   8.2068   54.258   5.8187  1665.40  159.319  1836.12  101.601 -170.7213 188.9590 
1 1 1    6    3   27 o  432.336   98.810   3.1213   1.3084   3.0428   2.4019   3.1545   1.5603  437.743  147.718  433.170  113.623 4.573151 186.3616 
1 1 1    6    3   29 o  1256.12  102.513   25.714   3.9969   26.600   5.5893   24.786   5.7179  1253.90  145.033  1203.52  155.355 50.38342 212.5321 
1 1 1    6    3   31 o  926.528  101.184   14.151   2.8878   12.646   4.1974   15.503   3.9793  841.877  165.126  951.131  137.611 -109.2543 214.9498 
1 1 1    6    3   33 o  844.481  146.196   12.593   3.7259   0.0000   0.0000   12.593   3.7259  ?   ?   844.481  146.196 0.000000 146.1964 
1 1 1    6    3   35 f  2309.44  179.447   97.617   12.875   97.617   12.875   0.0000   0.0000  2309.44  179.447  ?   ?  0.000000 179.4472 
1 1 1    6    3   37 o  2732.21  127.030  126.294   10.868  114.453   15.075  139.109   15.682  2472.66  196.314  2756.59  182.717 -283.9363 268.1883 
1 1 1    6    3   39 o  1764.58   91.048   51.042   5.0136   56.865   8.5628   48.004   6.1845  1790.38  154.245  1685.85  117.900 104.5343 194.1446 
1 1 1    6    3   41 o  1544.71   92.430   39.475   4.4502   46.207   7.5653   35.914   5.5030  1600.57  152.807  1443.97  122.878 156.6022 196.0841 
1 1 1    6    3   43 o  684.609  199.111   9.8286   4.5246   9.8286   4.5246   0.0000   0.0000  684.609  199.111  ?   ?  0.000000 199.1110 
1 1 1    6    3   45 o  1531.53  181.431   46.907   8.5315   46.907   8.5315   0.0000   0.0000  1531.53  181.431  ?   ?  0.000000 181.4310 
1 1 1    6    3   47 o  1042.91  125.792   20.130   4.0249   22.309   6.0062   18.354   5.4226  991.627  200.330  899.761  197.856 91.86615 281.5656 
1 1 1    6    3   49 o  375.280  172.158   2.2851   4.5945   2.2851   4.5945   0.0000   0.0000  375.280  172.158  ?   ?  0.000000 172.1578 
1 1 1    6    3   51 o  1049.14  288.544   55.397   9.7749   55.397   9.7749   0.0000   0.0000  1049.14  288.544  ?   ?  0.000000 288.5441 
1 1 1    6    3   53 o  510.863  227.081   25.378   7.2857   25.378   7.2857   0.0000   0.0000  510.863  227.081  ?   ?  0.000000 227.0808 
1 1 1    6    3   55 f  321.601  160.320   12.281   6.4889   12.281   6.4889   0.0000   0.0000  321.601  160.320  ?   ?  0.000000 160.3197 
1 1 1    6    3   57 o  ?   ?    33.690   8.9438   33.690   8.9438   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    6    4    0 o  1872.99   84.756   55.010   4.9708   57.038   6.0798   50.923   8.6327  1903.77  102.366  1792.10  155.377 111.6616 186.0670 
1 1 1    6    4    2 o 12287.18  283.286  2408.08  108.992  2283.04  154.135  2533.13  154.141 11838.64  415.799 12495.07  393.969 -656.4336 572.8007 
1 1 1    6    4    4 o  3710.84  116.569  216.362   13.545  210.041   23.468  219.520   16.586  3636.62  206.944  3734.62  141.835 -98.00439 250.8850 
1 1 1    6    4    6 o  1794.64  101.741   50.750   5.6937   48.264   8.0457   53.245   8.0586  1743.46  148.804  1832.99  141.501 -89.53784 205.3413 
1 1 1    6    4    8 o  1039.29   92.394   17.100   2.9754   17.720   4.2099   16.481   4.2058  1052.46  130.549  1013.49  135.957 38.96930 188.4874 
1 1 1    6    4   10 o  5745.31  201.772  527.350   36.299  524.146   51.332  530.554   51.336  5660.85  290.573  5696.94  288.727 -36.09082 409.6287 
1 1 1    6    4   12 o  1200.58   76.643   22.741   2.8662   23.819   4.9495   22.197   3.5157  1220.00  131.650  1183.51   95.687 36.48389 162.7504 
1 1 1    6    4   14 o  1881.31   71.043   55.612   4.1850   53.465   5.9193   57.758   5.9177  1838.14  103.261  1911.49   99.211 -73.35571 143.1980 
1 1 1    6    4   16 o  2501.25   92.717   98.614   7.2616   94.891   12.553  100.487   8.9023  2430.32  165.947  2520.81  112.783 -90.49438 200.6453 
1 1 1    6    4   18 o  1855.18   72.687   54.149   4.2224   55.803   5.9694   52.494   5.9734  1876.16  101.995  1818.76  105.339 57.39478 146.6268 
1 1 1    6    4   20 o  1874.85   73.970   55.394   4.3425   54.981   6.1347   55.808   6.1477  1858.63  105.849  1872.76  105.263 -14.13245 149.2792 
1 1 1    6    4   22 o  1580.74   80.821   39.647   3.9870   35.005   6.8968   41.977   4.8862  1459.92  153.152  1622.09   96.639 -162.1731 181.0926 
1 1 1    6    4   24 o  1518.77   82.459   36.759   3.9068   34.480   6.7591   37.903   4.7875  1440.86  152.112  1535.98  100.090 -95.11584 182.0875 
1 1 1    6    4   26 o  1743.46  102.762   49.064   5.5852   49.727   7.9594   48.422   7.8394  1727.50  148.590  1704.71  148.342 22.79578 209.9626 
1 1 1    6    4   28 o  1849.84  104.282   55.498   6.0157   57.569   8.6046   53.518   8.4135  1850.81  149.757  1782.15  152.231 68.65210 213.5452 
1 1 1    6    4   32 f  1541.30   85.312   38.545   4.1013   41.227   7.2334   37.274   4.9790  1537.56  152.244  1500.96  106.632 36.59998 185.8731 
1 1 1    6    4   34 o  1368.62  108.902   31.221   4.6284   26.891   6.2787   36.374   6.8494  1219.95  168.897  1435.35  154.850 -215.3988 229.1391 
1 1 1    6    4   36 o  435.885  168.005   2.7197   3.2413   2.7197   3.2413   0.0000   0.0000  435.885  168.005  ?   ?  0.000000 168.0046 
1 1 1    6    4   38 o  4689.40  196.044  410.483   28.786  391.593   40.552  429.672   40.871  4064.25  321.267  4339.28  302.694 -275.0339 441.4030 
1 1 1    6    4   40 o  2775.76  133.150  132.875   11.573  125.148   16.025  141.297   16.730  2540.13  203.184  2711.24  198.448 -171.1152 284.0164 
1 1 1    6    4   42 o  563.274  135.191   5.7547   2.3541   0.0782   4.2569   8.2557   2.8255  386.754  172.631  675.660  138.211 -288.9066 221.1423 
1 1 1    6    4   44 o  1920.81  185.025   72.820   10.991   72.820   10.991   0.0000   0.0000  1920.81  185.025  ?   ?  0.000000 185.0251 
1 1 1    6    4   46 o  1475.49  112.678   38.292   5.1665   44.898   7.6945   32.868   6.9719  1507.48  165.747  1265.13  181.166 242.3511 245.5466 
1 1 1    6    4   48 o  1949.27  126.993   72.863   7.7089   76.606   11.209   69.505   10.618  1754.26  208.128  1675.26  206.815 79.00037 293.4101 
1 1 1    6    4   50 o  286.074  130.724   0.4614   2.6143  -6.7688   4.7079   3.6850   3.1436  260.685  130.908  380.464  158.679 -119.7795 205.7082 
1 1 1    6    4   52 o  616.588  258.801   33.370   8.4418   33.370   8.4418   0.0000   0.0000  616.588  258.801  ?   ?  0.000000 258.8014 
1 1 1    6    4   54 o  475.990  226.486   39.843   9.2457   39.843   9.2457   0.0000   0.0000  475.990  226.486  ?   ?  0.000000 226.4861 
1 1 1    6    5    1 o  3526.25  199.034  197.268   21.887  197.268   21.887   0.0000   0.0000  3526.25  199.034  ?   ?  0.000000 199.0343 
1 1 1    6    5    3 o  3175.34  106.155  158.365   10.555  167.657   18.304  153.737   12.919  3252.49  180.436  3125.87  131.988 126.6216 223.5579 
1 1 1    6    5    5 o  2953.71  101.775  137.064   9.4129  137.098   16.315  137.047   11.525  2938.42  178.156  2950.97  124.722 -12.55371 217.4746 
1 1 1    6    5    7 o  1219.73   76.448   23.439   2.9050   22.419   5.0242   23.951   3.5605  1184.24  138.083  1231.23   93.041 -46.99036 166.5041 
1 1 1    6    5    9 o  2744.06   98.345  118.459   8.4501  117.531   10.350  120.313   14.634  2729.91  121.079  2747.06  170.980 -17.15015 209.5094 
1 1 1    6    5   11 o  393.286   70.778   2.5029   0.8396   2.8306   1.2073   2.1961   1.1683  415.863   94.817  367.341   99.232 48.52289 137.2489 
1 1 1    6    5   13 o  2110.26   74.764   69.987   4.9402   66.584   6.9851   73.392   6.9879  2051.08  109.153  2157.25  103.450 -106.1675 150.3873 
1 1 1    6    5   15 o  933.928   74.217   13.798   2.1525   13.734   2.6451   13.922   3.7034  929.179   92.128  928.241  131.061 0.9387207 160.2017 
1 1 1    6    5   17 o  4214.67  159.841  284.307   21.094   0.0000   0.0000  284.307   21.094  ?   ?   4214.67  159.841 0.000000 159.8411 
1 1 1    6    5   19 o  1003.02   66.345   15.895   2.0719   16.484   2.9220   15.300   2.9384  1017.21   92.758  978.823   97.155 38.38855 134.3252 
1 1 1    6    5   21 o  1438.41   79.165   32.795   3.5519   31.373   4.3600   35.601   6.1245  1401.67   99.995  1482.72  133.340 -81.05212 166.6691 
1 1 1    6    5   23 o  988.543   96.339   15.724   2.9441   14.536   4.2451   16.825   4.0867  932.340  150.540  1011.38  132.210 -79.03998 200.3536 
1 1 1    6    5   25 o  1184.65  141.831   23.326   5.1565   23.326   5.1565   0.0000   0.0000  1184.65  141.831  ?   ?  0.000000 141.8311 
1 1 1    6    5   27 o  337.877  102.134   1.8576   1.1722   1.3038   2.1310   2.0978   1.4036  346.616  135.488  360.091  112.307 -13.47449 175.9820 
1 1 1    6    5   29 o  1993.96  112.169   65.039   6.9749   74.772   9.8419   55.219   9.8863  2103.16  150.441  1778.06  180.053 325.0922 234.6304 
1 1 1    6    5   31 f  2185.03  115.298   79.094   7.8606   87.519   11.155   70.783   11.079  2243.30  159.844  1990.94  179.650 252.3628 240.4669 
1 1 1    6    5   33 o  1604.51  159.941   45.472   7.9286   0.0000   0.0000   45.472   7.9286  ?   ?   1604.51  159.941 0.000000 159.9413 
1 1 1    6    5   35 o  1005.60  123.330   17.147   3.8020   16.344   5.0889   18.162   5.7200  943.979  178.707  985.244  192.312 -41.26489 262.5262 
1 1 1    6    5   37 o  1895.89  116.743   60.035   6.8967   54.775   9.3908   66.194   10.162  1745.91  174.098  1925.38  170.306 -179.4683 243.5452 
1 1 1    6    5   39 o  2258.46  125.668   86.613   8.8518   86.399   12.131   86.857   12.946  2169.16  180.232  2149.59  194.434 19.56543 265.1197 
1 1 1    6    5   41 o  1639.58  126.509   46.357   6.4447   50.977   8.5464   40.268   9.8125  1666.44  165.995  1386.97  234.287 279.4620 287.1321 
1 1 1    6    5   43 o  1174.47  140.073   24.712   5.0496   24.529   6.4790   24.996   8.0596  1111.54  193.161  1046.55  249.470 64.99011 315.5102 
1 1 1    6    5   45 o  1831.99  189.967   68.189   10.739   68.189   10.739   0.0000   0.0000  1831.99  189.967  ?   ?  0.000000 189.9672 
1 1 1    6    5   47 o  464.637  199.055   4.5022   5.1703   4.5022   5.1703   0.0000   0.0000  464.637  199.055  ?   ?  0.000000 199.0551 
1 1 1    6    5   49 o  603.932  238.948   15.484   6.6997   15.484   6.6997   0.0000   0.0000  603.932  238.948  ?   ?  0.000000 238.9477 
1 1 1    6    5   57 o  ?   ?    58.580   11.585   58.580   11.585   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    6    6    2 o  671.534   94.713   7.2196   1.9363   7.9704   2.7487   6.4802   2.7280  700.524  130.101  628.971  141.891 71.55280 192.5077 
1 1 1    6    6    4 o  4370.00  161.674  301.867   22.123  301.867   22.123   0.0000   0.0000  4370.00  161.674  ?   ?  0.000000 161.6738 
1 1 1    6    6    6 o  1379.16   77.834   29.952   3.3475   31.800   4.1076   26.298   5.7762  1419.52   92.926  1282.00  146.525 137.5201 173.5074 
1 1 1    6    6    8 o  3862.19  120.678  235.273   14.594  234.957   17.876  235.903   25.273  3852.39  148.191  3832.78  211.400 19.60083 258.1681 
1 1 1    6    6   10 o  4301.24  130.010  292.556   17.510  280.541   21.441  316.612   30.339  4200.06  163.034  4434.59  218.492 -234.5239 272.6152 
1 1 1    6    6   12 o  1841.94   83.871   53.362   4.8373   53.087   5.9224   53.913   8.3844  1832.12  103.659  1837.12  146.984 -5.007202 179.8596 
1 1 1    6    6   14 o  481.852   83.070   3.7558   1.2081   3.8945   1.4696   3.4668   2.1218  488.297   99.491  463.770  136.774 24.52625 169.1320 
1 1 1    6    6   16 o  853.578  139.238   11.875   3.5932   11.875   3.5932   0.0000   0.0000  853.578  139.238  ?   ?  0.000000 139.2377 
1 1 1    6    6   18 o  844.237  133.594   11.625   3.4140   11.625   3.4140   0.0000   0.0000  844.237  133.594  ?   ?  0.000000 133.5943 
1 1 1    6    6   20 f  1211.58   76.839   23.261   2.9000   22.656   3.5644   24.446   4.9877  1191.56   96.358  1228.32  131.736 -36.76147 163.2158 
1 1 1    6    6   22 o  1457.79   79.307   33.755   3.6065   32.380   6.2404   34.444   4.4193  1405.00  143.875  1467.60   96.709 -62.59900 173.3570 
1 1 1    6    6   26 o  1188.24  102.966   22.863   3.7931   24.522   5.2334   21.027   5.5056  1214.37  140.206  1112.25  162.913 102.1167 214.9382 
1 1 1    6    6   28 f  463.762  126.666   3.6479   1.8914   2.9495   2.4395   4.7003   2.9947  433.072  148.836  524.850  164.102 -91.77765 221.5438 
1 1 1    6    6   30 o  1628.57  158.077   45.754   7.9595   0.0000   0.0000   45.754   7.9595  ?   ?   1628.57  158.077 0.000000 158.0768 
1 1 1    6    6   32 o  651.135  127.252   7.3111   2.5015   13.402   3.7421   2.3911   3.3634  879.401  140.637  430.430  169.619 448.9713 220.3392 
1 1 1    6    6   34 o  1221.13  109.074   24.749   4.1267   30.735   5.9232   19.103   5.7527  1335.01  143.975  1017.91  187.390 317.0956 236.3129 
1 1 1    6    6   36 o  1913.84  169.872   64.873   10.074   64.873   10.074   0.0000   0.0000  1913.84  169.872  ?   ?  0.000000 169.8716 
1 1 1    6    6   38 o  1790.83  120.634   53.859   6.7252   51.519   9.0186   56.790   10.093  1693.49  172.483  1760.82  185.875 -67.33118 253.5747 
1 1 1    6    6   40 o  2867.82  140.607  142.773   12.626  146.193   17.470  139.032   18.270  2753.71  204.056  2637.58  223.310 116.1323 302.5001 
1 1 1    6    6   42 o  1152.56  146.115   23.803   5.1548   28.285   6.6521   17.065   8.1555  1220.88  179.353  831.814  271.955 389.0665 325.7718 
1 1 1    6    6   44 o  1596.75  136.202   45.474   6.7447   50.328   8.9261   39.016   10.297  1610.28  180.113  1283.32  265.026 326.9617 320.4362 
1 1 1    6    6   50 o  222.861   92.446   0.5516   1.0588   0.0000   0.0000   0.5516   1.0588  ?   ?   222.861   92.446 0.000000 92.44627 
1 1 1    6    6   52 o  362.630  121.872   3.1313   1.6348   20.676   6.1050   1.7760   1.6968  602.645  231.002  290.401  118.374 312.2446 259.5652 
1 1 1    6    6   54 o  765.162  126.080   14.455   2.9155   60.250   7.6452   6.6611   3.1539  1262.15  200.123  392.171  160.795 869.9824 256.7180 
1 1 1    6    6   56 o  309.544  136.727   4.3489   2.6010   0.0000   0.0000   4.3489   2.6010  ?   ?   309.544  136.727 0.000000 136.7271 
1 1 1    6    7    1 o  4516.31  165.696  322.716   23.432  325.827   33.138  319.605   33.138  4508.27  235.567  4463.86  237.939 44.41357 334.8239 
1 1 1    6    7    3 o  3117.91  129.152  153.253   12.609  143.094   17.829  163.419   17.835  2994.78  191.124  3204.91  178.426 -210.1316 261.4655 
1 1 1    6    7    5 o  5460.70  192.855  474.933   32.976  460.192   46.630  489.680   46.641  5318.17  281.013  5499.55  270.844 -181.3833 390.2875 
1 1 1    6    7    7 o  1316.71   95.997   27.419   3.9307   25.752   5.5591   29.085   5.5585  1268.03  142.475  1350.30  133.201 -82.26880 195.0425 
1 1 1    6    7    9 o  1841.05  103.537   53.566   5.9445   53.924   8.4140   53.209   8.3995  1838.48  147.398  1826.01  148.182 12.47534 209.0076 
1 1 1    6    7   11 o  4339.51  161.911  299.679   22.001  299.679   22.001   0.0000   0.0000  4339.51  161.911  ?   ?  0.000000 161.9105 
1 1 1    6    7   13 o  1401.43  138.991   31.451   6.0188   31.451   6.0188   0.0000   0.0000  1401.43  138.991  ?   ?  0.000000 138.9911 
1 1 1    6    7   15 o  1468.40  141.415   34.595   6.4218   34.595   6.4218   0.0000   0.0000  1468.40  141.415  ?   ?  0.000000 141.4155 
1 1 1    6    7   17 o  2547.13   96.088  102.497   7.6637  101.631   9.3680  104.250   13.325  2530.50  118.229  2540.12  168.493 -9.619629 205.8346 
1 1 1    6    7   19 o  2046.26  104.575   66.660   6.6781   60.866   9.3247   72.762   9.5686  1935.80  155.139  2122.30  144.854 -186.4996 212.2515 
1 1 1    6    7   21 o  2890.84  122.289  134.205   11.069  125.296   15.549  143.361   15.763  2746.90  181.804  2948.09  171.494 -201.1919 249.9255 
1 1 1    6    7   23 o  712.227   86.137   8.1772   1.8819   8.4448   2.2015   7.4507   3.6271  720.378  100.319  657.403  173.623 62.97571 200.5217 
1 1 1    6    7   25 o  1185.66  144.033   23.377   5.2375   23.377   5.2375   0.0000   0.0000  1185.66  144.033  ?   ?  0.000000 144.0327 
1 1 1    6    7   27 o  938.146  162.715   15.122   4.6066   0.0000   0.0000   15.122   4.6066  ?   ?   938.146  162.715 0.000000 162.7146 
1 1 1    6    7   29 o  755.771  116.128   9.5397   2.6602   9.9872   3.5708   8.9815   3.9880  756.308  155.961  706.192  179.860 50.11603 238.0620 
1 1 1    6    7   31 o  939.471  110.889   14.678   3.1992   21.090   4.6555   8.9401   4.4036  1112.77  136.471  691.331  194.984 421.4399 237.9975 
1 1 1    6    7   33 o  2353.03  120.494   92.172   8.8481  105.404   12.548   79.087   12.478  2455.56  164.145  2084.71  193.359 370.8518 253.6363 
1 1 1    6    7   35 o  2150.71  115.665   76.539   7.7607   96.786   11.053   56.851   10.899  2377.60  149.219  1760.09  201.391 617.5052 250.6481 
1 1 1    6    7   37 o  2014.25  175.078   72.254   10.932   72.254   10.932   0.0000   0.0000  2014.25  175.078  ?   ?  0.000000 175.0776 
1 1 1    6    7   39 o  878.909  162.572   13.959   4.3093   11.686   5.4864   17.620   6.9625  761.977  218.577  920.650  239.312 -158.6730 324.1082 
1 1 1    6    7   41 o  949.074  259.478   20.292   7.9322   0.0000   0.0000   20.292   7.9322  ?   ?   949.074  259.478 0.000000 259.4776 
1 1 1    6    7   43 o  2168.79  217.719   96.396   14.586   0.0000   0.0000   96.396   14.586  ?   ?   2168.79  217.719 0.000000 217.7190 
1 1 1    6    7   47 o  559.842  226.836   9.3258   6.1865   9.3258   6.1865   0.0000   0.0000  559.842  226.836  ?   ?  0.000000 226.8362 
1 1 1    6    7   49 o  516.567  223.260   11.602   6.6147   11.602   6.6147   0.0000   0.0000  516.567  223.260  ?   ?  0.000000 223.2602 
1 1 1    6    7   51 o  480.928  219.502   16.098   7.3434   16.098   7.3434   0.0000   0.0000  480.928  219.502  ?   ?  0.000000 219.5023 
1 1 1    6    7   53 f  608.104  274.182   56.719   11.040   56.719   11.040   0.0000   0.0000  608.104  274.182  ?   ?  0.000000 274.1816 
1 1 1    6    7   55 o  353.211  177.966   25.849   9.1071   25.849   9.1071   0.0000   0.0000  353.211  177.966  ?   ?  0.000000 177.9661 
1 1 1    6    8    0 o  508.433  102.699   4.2118   1.5787   4.1786   2.2937   4.2418   2.1762  506.743  139.939  509.383  134.467 -2.640442 194.0723 
1 1 1    6    8    2 o  8421.90  286.167  1153.00   75.465  1135.32  106.719  1170.68  106.729  8179.73  418.059  8327.12  409.328 -147.3843 585.0836 
1 1 1    6    8    4 o  4866.59  254.239  383.784   38.608  383.784   38.608   0.0000   0.0000  4866.59  254.239  ?   ?  0.000000 254.2394 
1 1 1    6    8    6 o  2374.28  161.990   89.906   11.971   89.906   11.971   0.0000   0.0000  2374.28  161.990  ?   ?  0.000000 161.9898 
1 1 1    6    8    8 o  659.657  140.565   7.1464   2.8146   7.1464   2.8146   0.0000   0.0000  659.657  140.565  ?   ?  0.000000 140.5654 
1 1 1    6    8   10 o  1948.48  150.954   60.607   9.1381   60.607   9.1381   0.0000   0.0000  1948.48  150.954  ?   ?  0.000000 150.9538 
1 1 1    6    8   12 o  1487.19  142.045   35.401   6.5343   35.401   6.5343   0.0000   0.0000  1487.19  142.045  ?   ?  0.000000 142.0454 
1 1 1    6    8   14 o  1551.58  100.298   38.139   4.8468   38.420   6.8512   37.858   6.8576  1548.03  142.956  1536.23  144.248 11.79492 203.0865 
1 1 1    6    8   16 o  2467.34  115.762   96.539   8.9436   94.106   12.614   98.998   12.682  2413.83  167.936  2477.60  164.411 -63.76953 235.0179 
1 1 1    6    8   18 o  1517.45   83.003   36.470   3.9289   35.619   4.7625   38.281   6.9517  1495.13  102.344  1536.73  146.234 -41.59534 178.4893 
1 1 1    6    8   20 o  1030.39   99.048   17.035   3.1563   17.035   3.1563   0.0000   0.0000  1030.39   99.048  ?   ?  0.000000 99.04755 
1 1 1    6    8   22 o  917.745   82.302   13.464   2.3400   12.840   2.7675   15.028   4.3824  891.414  100.929  947.961  152.837 -56.54614 183.1552 
1 1 1    6    8   24 f  1081.90   82.923   18.707   2.7878   18.231   3.3195   19.846   5.1355  1062.77  100.963  1088.32  155.084 -25.54993 185.0526 
1 1 1    6    8   26 o  1630.22  103.141   42.896   5.2378   42.896   5.2378   0.0000   0.0000  1630.22  103.141  ?   ?  0.000000 103.1405 
1 1 1    6    8   28 o  623.708  128.424   6.6098   2.4245   7.6859   3.1415   5.0247   3.8129  664.519  153.988  546.873  186.109 117.6460 241.5555 
1 1 1    6    8   30 o  627.205  176.593   7.1019   3.6154   0.0000   0.0000   7.1019   3.6154  ?   ?   627.205  176.593 0.000000 176.5934 
1 1 1    6    8   32 f  2513.91  121.218  104.642   9.5419  128.650   13.568   81.151   13.421  2730.51  159.388  2102.50  206.531 628.0149 260.8830 
1 1 1    6    8   34 o  2727.70  127.149  123.579   10.860  151.964   15.416   95.614   15.301  2960.69  166.967  2271.65  217.786 689.0391 274.4247 
1 1 1    6    8   38 o  2293.51  200.628   97.575   14.263   0.0000   0.0000   97.575   14.263  ?   ?   2293.51  200.628 0.000000 200.6277 
1 1 1    6    8   40 o  2340.86  209.698  105.555   15.208   0.0000   0.0000  105.555   15.208  ?   ?   2340.86  209.698 0.000000 209.6979 
1 1 1    6    8   42 o  1758.94  134.697   53.768   7.3623   57.594   9.7757   48.754   11.191  1754.40  180.528  1520.35  243.278 234.0513 302.9431 
1 1 1    6    8   44 o  3704.46  176.815  262.610   20.510  267.651   28.568  257.249   29.463  3331.75  276.328  3169.44  300.471 162.3076 408.2159 
1 1 1    6    8   46 o  2033.97  223.331   97.192   13.990   97.192   13.990   0.0000   0.0000  2033.97  223.331  ?   ?  0.000000 223.3306 
1 1 1    6    8   48 o  430.185  196.943   4.3784   5.9707   4.3784   5.9707   0.0000   0.0000  430.185  196.943  ?   ?  0.000000 196.9427 
1 1 1    6    8   50 f  338.906  166.883  -0.2630   6.2641  -0.2630   6.2641   0.0000   0.0000  338.906  166.883  ?   ?  0.000000 166.8833 
1 1 1    6    8   52 o  465.846  219.091   20.830   8.1908   20.830   8.1908   0.0000   0.0000  465.846  219.091  ?   ?  0.000000 219.0912 
1 1 1    6    8   54 o  329.609  166.042   10.572   7.9056   10.572   7.9056   0.0000   0.0000  329.609  166.042  ?   ?  0.000000 166.0415 
1 1 1    6    8   56 o  ?   ?    12.466   8.6092   12.466   8.6092   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    6    9    3 f  4310.46  231.305  299.705   31.106  299.705   31.106   0.0000   0.0000  4310.46  231.305  ?   ?  0.000000 231.3053 
1 1 1    6    9    5 o  5403.87  191.949  466.128   32.479  460.142   45.928  472.117   45.938  5307.70  277.307  5379.41  273.623 -71.71094 389.5750 
1 1 1    6    9    7 o  2082.88  108.145   68.544   7.0289   67.397   9.9387   69.692   9.9421  2055.40  155.577  2090.93  152.913 -35.52759 218.1438 
1 1 1    6    9    9 o  404.547  106.611   2.6724   1.3695   0.6455   1.8861   4.9328   1.9918  309.959  125.367  548.532  119.356 -238.5737 173.0974 
1 1 1    6    9   11 o  1758.72  147.340   49.450   8.0392   49.450   8.0392   0.0000   0.0000  1758.72  147.340  ?   ?  0.000000 147.3405 
1 1 1    6    9   13 o  888.778   97.598   12.604   2.6714   12.473   3.7565   12.739   3.7998  875.128  141.950  884.620  141.980 -9.492004 200.7687 
1 1 1    6    9   15 o  1751.20  103.364   48.672   5.6428   46.746   7.9316   50.645   8.0295  1703.31  150.253  1774.84  145.769 -71.52954 209.3429 
1 1 1    6    9   17 o  264.572  117.650  -0.6951   1.9575   0.0000   0.0000  -0.6951   1.9575  ?   ?   264.572  117.650 0.000000 117.6501 
1 1 1    6    9   19 o  483.898  162.233   3.6345   2.8969   0.0000   0.0000   3.6345   2.8969  ?   ?   483.898  162.233 0.000000 162.2333 
1 1 1    6    9   21 o  316.847   98.816   1.5908   1.0866   2.1336   1.1969  -0.9533   2.5914  360.807  101.618  300.995  134.498 59.81207 168.5697 
1 1 1    6    9   23 o  753.321   79.428   9.0948   1.8453   8.4444   2.1304   11.049   3.6927  721.511   96.735  809.909  151.168 -88.39868 179.4701 
1 1 1    6    9   25 f  2112.18   94.498   71.320   6.2498   73.026   7.5865   67.717   11.025  2124.27  114.477  2000.18  177.894 124.0907 211.5448 
1 1 1    6    9   27 o  1329.20  105.672   28.708   4.3618   28.708   4.3618   0.0000   0.0000  1329.20  105.672  ?   ?  0.000000 105.6722 
1 1 1    6    9   29 f  536.643  149.206   5.0071   2.5980   4.0469   3.9950   5.7107   3.4198  511.417  188.818  569.696  174.914 -58.27942 257.3849 
1 1 1    6    9   31 o  417.345  159.992   2.2987   2.9288   0.0000   0.0000   2.2987   2.9288  ?   ?   417.345  159.992 0.000000 159.9923 
1 1 1    6    9   33 o  526.261  182.079   4.6258   3.6538   0.0000   0.0000   4.6258   3.6538  ?   ?   526.261  182.079 0.000000 182.0787 
1 1 1    6    9   35 o  1224.80  168.602   26.195   6.2947   0.0000   0.0000   26.195   6.2947  ?   ?   1224.80  168.602 0.000000 168.6021 
1 1 1    6    9   37 o  1650.06  115.049   45.085   5.9071   58.595   8.4871   32.392   8.2267  1850.39  147.712  1322.34  205.347 528.0475 252.9550 
1 1 1    6    9   39 o  1306.87  142.139   29.486   5.7227   35.289   7.3691   20.669   9.0834  1402.58  171.355  957.555  283.159 445.0223 330.9703 
1 1 1    6    9   41 o  1964.49  132.544   66.201   8.1055   62.822   10.846   70.474   12.199  1829.23  192.231  1913.65  206.872 -84.42346 282.3987 
1 1 1    6    9   43 o  1588.36  148.249   45.126   7.2880   41.645   9.2124   50.949   11.915  1441.17  210.342  1512.22  261.065 -71.04492 335.2592 
1 1 1    6    9   45 o  1653.43  155.197   51.809   7.9410   51.810   9.9355   51.809   13.213  1549.91  210.142  1309.54  324.002 240.3708 386.1822 
1 1 1    6    9   47 o  558.436  231.661   10.193   6.6493   10.193   6.6493   0.0000   0.0000  558.436  231.661  ?   ?  0.000000 231.6614 
1 1 1    6    9   49 o  592.492  246.562   17.685   7.5661   17.685   7.5661   0.0000   0.0000  592.492  246.562  ?   ?  0.000000 246.5623 
1 1 1    6    9   51 o  522.114  234.865   20.701   8.0459   20.701   8.0459   0.0000   0.0000  522.114  234.865  ?   ?  0.000000 234.8646 
1 1 1    6    9   53 o  382.637  188.720   14.774   8.1188   14.774   8.1188   0.0000   0.0000  382.637  188.720  ?   ?  0.000000 188.7199 
1 1 1    6    9   55 o  ?   ?   -9.4842   7.4883  -9.4842   7.4883   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    6   10    0 o  4184.85  156.904  277.562   20.560  296.103   29.081  259.032   29.072  4293.52  217.018  4007.46  232.682 286.0635 318.1784 
1 1 1    6   10    2 o  936.305   95.398   13.930   2.7578   15.291   3.8896   12.554   3.9107  975.620  130.600  879.099  147.281 96.52118 196.8447 
1 1 1    6   10    4 o  2742.20  121.219  118.636   10.408  119.327   14.719  117.945   14.721  2734.24  172.811  2717.97  173.878 16.26733 245.1468 
1 1 1    6   10    6 o  2400.67  163.529   91.967   12.219   91.967   12.219   0.0000   0.0000  2400.67  163.529  ?   ?  0.000000 163.5293 
1 1 1    6   10    8 o  4851.09  176.030  375.260   26.739  360.516   37.806  390.017   37.823  4699.95  257.875  4896.76  247.484 -196.8066 357.4178 
1 1 1    6   10   10 o  2117.72  109.155   70.958   7.2136   68.804   10.195   73.118   10.208  2073.27  158.230  2139.01  153.436 -65.73462 220.4067 
1 1 1    6   10   12 o  2198.42  110.969   76.593   7.6142   75.013   10.742   78.189   10.794  2161.60  159.841  2208.02  157.152 -46.42236 224.1559 
1 1 1    6   10   14 o  2035.39  107.819   65.778   6.8471   60.681   9.6221   71.008   9.7457  1938.40  159.958  2101.91  149.042 -163.5017 218.6324 
1 1 1    6   10   16 o  1543.33  101.089   37.915   4.8582   34.995   6.7550   41.043   6.9923  1468.25  148.992  1593.77  141.586 -125.5206 205.5362 
1 1 1    6   10   18 o  1789.10  104.415   51.093   5.8240   45.860   8.1344   56.597   8.3423  1674.45  156.976  1867.72  143.750 -193.2638 212.8514 
1 1 1    6   10   20 o  424.439  159.077   2.2945   2.8567   0.0000   0.0000   2.2945   2.8567  ?   ?   424.439  159.077 0.000000 159.0765 
1 1 1    6   10   22 o  1129.79  110.515   20.626   3.8596   20.974   5.5234   20.294   5.3953  1120.07  162.210  1101.92  161.130 18.15552 228.6367 
1 1 1    6   10   24 o  1005.74   92.228   16.258   2.8721   20.847   3.5322   7.3044   4.9343  1137.37  100.203  653.141  211.415 484.2299 233.9588 
1 1 1    6   10   26 o  1910.41  114.205   59.301   6.8004   65.794   9.4080   52.196   9.8412  1984.95  152.534  1743.20  183.026 241.7476 238.2543 
1 1 1    6   10   28 o  1109.88  138.794   20.696   4.7180   20.696   4.7180   0.0000   0.0000  1109.88  138.794  ?   ?  0.000000 138.7937 
1 1 1    6   10   30 o  911.089  139.976   14.078   3.8656   14.078   3.8656   0.0000   0.0000  911.089  139.976  ?   ?  0.000000 139.9758 
1 1 1    6   10   32 o  494.393  159.804   4.1003   2.8200   0.0974   4.3674   6.9624   3.6930  413.901  180.147  626.177  179.243 -212.2755 254.1279 
1 1 1    6   10   34 o  522.530  159.904   4.6971   2.8608   9.0011   4.4958   1.7688   3.7084  703.162  196.556  430.225  175.142 272.9379 263.2659 
1 1 1    6   10   36 o  939.735  207.606   16.420   5.9460   16.420   5.9460   0.0000   0.0000  939.735  207.606  ?   ?  0.000000 207.6056 
1 1 1    6   10   38 o  2301.10  130.281   88.982   9.3486   90.094   12.868   87.739   13.605  2239.73  185.137  2185.61  201.050 54.12036 273.3076 
1 1 1    6   10   40 f  488.083  195.970   3.2487   4.5721   5.6729   5.4752  -2.3359   8.3103  571.945  218.874  487.680  226.487 84.26450 314.9640 
1 1 1    6   10   42 o  1351.71  207.188   35.583   8.4897   35.583   8.4897   0.0000   0.0000  1351.71  207.188  ?   ?  0.000000 207.1881 
1 1 1    6   10   44 o  1381.94  218.641   40.435   9.1462   40.435   9.1462   0.0000   0.0000  1381.94  218.641  ?   ?  0.000000 218.6409 
1 1 1    6   10   46 o  806.803  262.222   19.900   7.5864   19.900   7.5864   0.0000   0.0000  806.803  262.222  ?   ?  0.000000 262.2223 
1 1 1    6   10   48 o  699.554  265.798   21.426   8.0382   21.426   8.0382   0.0000   0.0000  699.554  265.798  ?   ?  0.000000 265.7976 
1 1 1    6   10   50 o  427.092  203.288   8.6803   7.4618   8.6803   7.4618   0.0000   0.0000  427.092  203.288  ?   ?  0.000000 203.2882 
1 1 1    6   10   52 o  344.775  172.157   4.2334   7.6139   4.2334   7.6139   0.0000   0.0000  344.775  172.157  ?   ?  0.000000 172.1572 
1 1 1    6   10   54 o  386.017  192.423   23.481   9.3436   23.481   9.3436   0.0000   0.0000  386.017  192.423  ?   ?  0.000000 192.4228 
1 1 1    6   11    1 o  4863.88  175.992  376.337   26.804  360.456   37.898  392.232   37.914  4711.32  257.876  4928.69  245.667 -217.3696 356.1634 
1 1 1    6   11    3 o  3482.91  199.705  194.581   21.689  194.581   21.689   0.0000   0.0000  3482.91  199.705  ?   ?  0.000000 199.7052 
1 1 1    6   11    5 o  5507.96  195.428  485.318   33.705  479.015   47.659  491.624   47.673  5403.20  282.678  5477.34  278.884 -74.13818 397.0933 
1 1 1    6   11    7 o  4252.64  159.453  287.620   21.233  278.164   30.018  297.088   30.038  4140.18  232.489  4284.01  224.707 -143.8354 323.3333 
1 1 1    6   11    9 o  1842.34  104.871   53.723   6.0248   54.845   8.5162   52.598   8.5245  1851.71  148.118  1812.22  151.617 39.49060 211.9589 
1 1 1    6   11   11 o  1197.39   99.154   22.784   3.6842   23.723   5.1697   21.814   5.2516  1213.72  138.510  1160.95  147.817 52.77222 202.5706 
1 1 1    6   11   13 o  1590.23  102.256   40.175   5.0647   37.955   7.0504   42.542   7.2803  1533.06  148.744  1625.12  144.579 -92.05701 207.4317 
1 1 1    6   11   15 o  485.691  127.337   3.9032   1.9603   5.6714   2.5276   1.2343   3.1053  583.529  140.102  399.011  161.046 184.5184 213.4578 
1 1 1    6   11   17 o  1088.00  107.458   19.012   3.6131   21.548   5.2646   16.754   4.9676  1146.00  150.339  1003.97  163.658 142.0302 222.2287 
1 1 1    6   11   19 o  989.103  161.804   16.309   4.8379   0.0000   0.0000   16.309   4.8379  ?   ?   989.103  161.804 0.000000 161.8037 
1 1 1    6   11   21 o  1249.24  158.911   25.868   6.0754   0.0000   0.0000   25.868   6.0754  ?   ?   1249.24  158.911 0.000000 158.9106 
1 1 1    6   11   23 o  1354.24  108.565   29.577   4.5650   44.315   6.4347   14.643   6.4773  1651.86  125.339  903.491  228.735 748.3651 260.8249 
1 1 1    6   11   25 o  1908.41  114.440   59.045   6.8070   77.694   9.5437   39.734   9.7116  2171.19  141.146  1502.14  212.396 669.0483 255.0181 
1 1 1    6   11   27 o  182.771   89.920  -3.6817   1.8053 -10.7146   3.3134  -0.7127   2.1529  208.650  105.397  275.285  122.830 -66.63509 161.8506 
1 1 1    6   11   29 o  1827.29   92.405   53.712   5.2700   61.704   6.4465   37.610   9.1502  1950.77  105.933  1452.16  207.100 498.6093 232.6203 
1 1 1    6   11   31 o  1043.94   95.961   17.640   3.1017   20.227   3.7297   11.842   5.5849  1113.59  108.334  803.174  216.954 310.4209 242.4985 
1 1 1    6   11   33 o  1609.03   85.959   41.515   4.3152   42.820   4.9896   37.645   8.5947  1628.30   98.324  1465.69  191.879 162.6079 215.6043 
1 1 1    6   11   35 o  1420.65  134.123   33.685   5.8958   47.027   7.9401   17.288   8.8021  1664.60  154.081  919.711  280.297 744.8923 319.8559 
1 1 1    6   11   37 o  2635.02  196.687  124.754   16.111  124.754   16.111   0.0000   0.0000  2635.02  196.687  ?   ?  0.000000 196.6871 
1 1 1    6   11   39 o  1901.55  185.896   65.150   10.927   65.150   10.927   0.0000   0.0000  1901.55  185.896  ?   ?  0.000000 185.8961 
1 1 1    6   11   41 o  1078.22  226.934   23.148   7.4192   23.148   7.4192   0.0000   0.0000  1078.22  226.934  ?   ?  0.000000 226.9336 
1 1 1    6   11   43 o  3626.46  178.371  247.503   20.255  265.548   27.946  227.535   29.398  3440.03  261.401  2971.86  321.012 468.1714 413.9791 
1 1 1    6   11   45 o  1810.61  159.259   63.743   8.9373   64.968   11.412   61.801   14.373  1687.88  221.252  1373.43  336.783 314.4489 402.9576 
1 1 1    6   11   47 o  875.310  238.126   22.027   6.7000   24.416   8.0434   16.612   12.109  833.823  269.927  551.966  261.625 281.8563 375.9097 
1 1 1    6   11   49 o  432.305  205.719   6.7030   7.6315   6.7030   7.6315   0.0000   0.0000  432.305  205.719  ?   ?  0.000000 205.7192 
1 1 1    6   11   51 o  365.259  180.700   3.9149   7.6476   3.9149   7.6476   0.0000   0.0000  365.259  180.700  ?   ?  0.000000 180.6996 
1 1 1    6   11   53 o  515.894  245.850   42.416   10.982   42.416   10.982   0.0000   0.0000  515.894  245.850  ?   ?  0.000000 245.8504 
1 1 1    6   11   55 o  ?   ?    10.515   9.4569   10.515   9.4569   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    6   12    0 o  922.691   97.603   13.548   2.7771   12.801   3.9370   14.287   3.9179  887.555  146.794  940.803  137.020 -53.24847 200.8060 
1 1 1    6   12    2 o  1740.82  147.426   48.372   7.9606   48.372   7.9606   0.0000   0.0000  1740.82  147.426  ?   ?  0.000000 147.4257 
1 1 1    6   12    4 o  2846.50  123.960  128.061   11.049  125.304   15.614  130.826   15.636  2795.98  179.294  2858.51  175.542 -62.53027 250.9205 
1 1 1    6   12    6 o  1048.19   96.973   17.457   3.1467   19.165   4.4734   15.785   4.4273  1091.89  133.628  986.329  147.910 105.5636 199.3335 
1 1 1    6   12    8 o  1500.06  100.707   35.663   4.7028   34.827   6.6314   36.510   6.6704  1472.51  145.737  1508.71  142.900 -36.20178 204.1077 
1 1 1    6   12   10 o  1152.66   97.781   21.128   3.4959   16.439   4.8365   26.258   5.0589  1001.69  159.550  1279.50  127.987 -277.8092 204.5401 
1 1 1    6   12   12 o  942.851  109.131   14.273   3.1623   17.410   4.5937   11.447   4.3599  1033.52  146.013  827.518  173.789 206.0024 226.9858 
1 1 1    6   12   14 o  1711.72  155.343   47.568   8.2354   47.568   8.2354   0.0000   0.0000  1711.72  155.343  ?   ?  0.000000 155.3430 
1 1 1    6   12   16 o  716.319  173.900   8.6791   3.8613   0.0000   0.0000   8.6791   3.8613  ?   ?   716.319  173.900 0.000000 173.8998 
1 1 1    6   12   18 o  1017.83  163.705   17.228   5.0405   0.0000   0.0000   17.228   5.0405  ?   ?   1017.83  163.705 0.000000 163.7046 
1 1 1    6   12   20 o  661.666  176.796   7.4583   3.7327   0.0000   0.0000   7.4583   3.7327  ?   ?   661.666  176.796 0.000000 176.7957 
1 1 1    6   12   22 o  2331.94  119.001   87.650   8.6603  107.355   12.214   67.726   12.282  2557.85  153.202  1997.99  198.957 559.8628 251.1071 
1 1 1    6   12   24 o  1832.61   92.759   53.744   5.3055   59.762   6.4942   41.665   9.2000  1925.38  108.157  1557.80  192.720 367.5768 220.9957 
1 1 1    6   12   26 o  1314.05   91.489   27.738   3.7409   30.897   4.5686   21.310   6.5168  1381.13  106.463  1101.58  196.120 279.5527 223.1528 
1 1 1    6   12   28 o  2921.64  114.669  138.209   10.490  149.868   12.766  113.970   18.408  3023.29  134.856  2514.97  236.527 508.3208 272.2701 
1 1 1    6   12   30 o  1149.97  134.617   21.894   4.7556   27.041   6.5158   16.027   6.9568  1260.93  169.306  930.893  237.803 330.0334 291.9163 
1 1 1    6   12   32 o  3184.43  208.486  177.233   20.674  177.233   20.674   0.0000   0.0000  3184.43  208.486  ?   ?  0.000000 208.4857 
1 1 1    6   12   34 o  697.337  119.353   8.1222   2.5124   8.1222   2.5124   0.0000   0.0000  697.337  119.353  ?   ?  0.000000 119.3533 
1 1 1    6   12   36 o  2898.60  124.270  138.286   11.279  138.286   11.279   0.0000   0.0000  2898.60  124.270  ?   ?  0.000000 124.2696 
1 1 1    6   12   38 o  1986.48  136.337   66.300   8.4290   85.118   11.475   44.247   12.422  2215.50  166.629  1472.18  279.705 743.3291 325.5768 
1 1 1    6   12   40 o  2844.22  147.438  138.690   13.086  139.688   17.690  137.485   19.446  2741.10  207.651  2660.04  235.913 81.05493 314.2831 
1 1 1    6   12   42 f  1839.26  147.786   59.617   8.4394   55.622   10.762   65.997   13.600  1689.34  207.843  1761.93  253.825 -72.59705 328.0639 
1 1 1    6   12   44 o  2093.81  155.711   82.377   10.136   85.559   13.124   77.675   15.955  1997.17  213.155  1659.32  318.669 337.8438 383.3861 
1 1 1    6   12   46 o  711.896  241.723   14.982   6.4320   5.2578   7.6248   38.976   11.977  485.065  222.248  944.340  329.485 -459.2748 397.4344 
1 1 1    6   12   48 o  1049.87  296.270   43.191   10.164   43.191   10.164   0.0000   0.0000  1049.87  296.270  ?   ?  0.000000 296.2698 
1 1 1    6   12   50 o  415.807  200.418   7.1053   7.7792   7.1053   7.7792   0.0000   0.0000  415.807  200.418  ?   ?  0.000000 200.4180 
1 1 1    6   12   52 o  365.883  182.844   6.7231   8.6683   6.7231   8.6683   0.0000   0.0000  365.883  182.844  ?   ?  0.000000 182.8444 
1 1 1    6   12   54 o  ?   ?   -3.5141   8.5977  -3.5141   8.5977   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    6   13    1 o  2723.45  121.429  117.289   10.355  117.286   14.642  117.292   14.647  2704.16  173.840  2704.20  173.905 -0.4101563E-01 245.8932 
1 1 1    6   13    3 o  1971.50  106.885   61.526   6.5736   58.708   9.2806   64.362   9.3125  1913.77  156.234  2006.33  149.302 -92.55566 216.1024 
1 1 1    6   13    5 o  2093.36  108.935   69.423   7.1158   62.916   10.039   75.995   10.088  1977.84  163.563  2179.70  148.694 -201.8610 221.0495 
1 1 1    6   13    7 o  1976.49  107.064   61.940   6.6014   68.667   9.4530   55.537   9.2228  2070.23  146.777  1856.58  160.215 213.6461 217.2845 
1 1 1    6   13    9 o  599.041  132.621   5.9304   2.4219   5.0850   3.6223   6.6140   3.2570  565.730  180.933  630.279  163.603 -64.54913 243.9319 
1 1 1    6   13   11 o  1208.23  154.288   23.785   5.7038   0.0000   0.0000   23.785   5.7038  ?   ?   1208.23  154.288 0.000000 154.2877 
1 1 1    6   13   13 o  1476.15  151.658   35.373   6.9103   0.0000   0.0000   35.373   6.9103  ?   ?   1476.15  151.658 0.000000 151.6582 
1 1 1    6   13   15 o  864.964  170.498   12.525   4.4536   0.0000   0.0000   12.525   4.4536  ?   ?   864.964  170.498 0.000000 170.4983 
1 1 1    6   13   17 o  1560.66   86.603   38.643   4.2155   42.184   5.1547   31.492   7.3249  1626.84  101.701  1380.52  173.266 246.3179 200.9088 
1 1 1    6   13   19 o  1074.15   88.892   18.406   2.9629   17.743   3.5724   19.868   5.3037  1049.20  110.395  1095.09  159.344 -45.88953 193.8496 
1 1 1    6   13   21 o  1252.09  113.212   25.303   4.3906   27.306   6.3175   23.431   6.1064  1282.41  160.865  1182.84  169.734 99.56787 233.8529 
1 1 1    6   13   23 o  661.332  198.335   7.5678   4.4331   0.0000   0.0000   7.5678   4.4331  ?   ?   661.332  198.335 0.000000 198.3352 
1 1 1    6   13   25 o  1447.76  113.860   33.978   5.1200   30.481   7.1537   37.650   7.3311  1340.50  174.571  1501.38  158.328 -160.8763 235.6755 
1 1 1    6   13   27 o  3008.41  138.316  147.873   13.030  147.873   13.030   0.0000   0.0000  3008.41  138.316  ?   ?  0.000000 138.3164 
1 1 1    6   13   29 o  933.229  126.848   14.348   3.6107   14.348   3.6107   0.0000   0.0000  933.229  126.848  ?   ?  0.000000 126.8477 
1 1 1    6   13   31 o  841.354  125.030   11.704   3.1938   11.704   3.1938   0.0000   0.0000  841.354  125.030  ?   ?  0.000000 125.0303 
1 1 1    6   13   33 o  2801.10  135.639  128.722   11.897  137.912   16.637  119.106   17.019  2835.25  188.470  2606.64  210.305 228.6135 282.3987 
1 1 1    6   13   35 o  1420.30  141.599   33.715   6.2134   42.697   8.2759   22.113   9.4064  1578.63  170.111  1052.39  280.397 526.2386 327.9638 
1 1 1    6   13   37 o  2227.55   92.034   79.854   6.4194   84.995   7.4916   65.652   12.452  2289.14  104.516  1904.46  212.438 384.6812 236.7558 
1 1 1    6   13   39 o  1386.50  147.105   32.825   6.2890   26.628   8.1818   41.772   9.8316  1180.91  229.536  1499.68  215.562 -318.7772 314.8871 
1 1 1    6   13   41 o  709.275  229.664   10.249   5.8226   11.144   6.9123   8.0632   10.804  725.696  250.473  667.163  286.832 58.53369 380.8008 
1 1 1    6   13   43 f  465.959  201.924   2.4798   5.4397   4.2933   6.2572  -3.1325   11.007  516.801  220.126  497.654  239.510 19.14691 325.3005 
1 1 1    6   13   45 o  603.182  236.258   10.065   6.4897   18.279   7.6922 -10.2220   12.089  779.111  264.345  429.422  214.795 349.6892 340.6096 
1 1 1    6   13   47 o  ?   ?  -16.8449   5.8308 -22.4609   6.5495   4.6161   12.803  ?   ?   468.603  232.177 0.000000 232.1774 
1 1 1    6   13   49 o  425.051  204.358   5.4301   7.9623   5.4301   7.9623   0.0000   0.0000  425.051  204.358  ?   ?  0.000000 204.3579 
1 1 1    6   13   51 o  319.349  161.922  -6.5919   8.3600  -6.5919   8.3600   0.0000   0.0000  319.349  161.922  ?   ?  0.000000 161.9218 
1 1 1    6   13   53 o  335.597  170.149   4.0175   9.2208   4.0175   9.2208   0.0000   0.0000  335.597  170.149  ?   ?  0.000000 170.1489 
1 1 1    6   14    0 o  3487.85  140.117  193.420   15.303  196.979   21.637  189.859   21.645  3487.66  198.954  3421.58  202.937 66.08008 284.1938 
1 1 1    6   14    2 o  2390.77  167.763   91.957   12.479   91.957   12.479   0.0000   0.0000  2390.77  167.763  ?   ?  0.000000 167.7632 
1 1 1    6   14    4 o  3053.01  128.062  147.986   12.242  162.645   17.379  133.545   17.249  3176.96  175.376  2869.11  193.122 307.8494 260.8698 
1 1 1    6   14    6 f  949.202  152.959   14.747   4.3917   0.0000   0.0000   14.747   4.3917  ?   ?   949.202  152.959 0.000000 152.9587 
1 1 1    6   14    8 o  1413.20  151.034   32.304   6.5799   0.0000   0.0000   32.304   6.5799  ?   ?   1413.20  151.034 0.000000 151.0343 
1 1 1    6   14   10 o  2735.80  179.555  121.592   15.296   0.0000   0.0000  121.592   15.296  ?   ?   2735.80  179.555 0.000000 179.5550 
1 1 1    6   14   12 o  833.046  124.117   11.278   3.1387   10.420   4.4914   12.097   4.3880  785.998  185.480  851.448  170.532 -65.44934 251.9608 
1 1 1    6   14   14 o  2453.06   97.471   95.275   7.4869   96.380   9.1470   93.032   13.032  2460.62  118.718  2388.63  175.472 71.98926 211.8592 
1 1 1    6   14   16 o  528.342  121.696   4.6277   1.9718   3.2910   2.3552   7.7599   3.6053  456.160  145.897  678.390  170.053 -222.2300 224.0620 
1 1 1    6   14   18 o  959.841   92.349   14.735   2.7413   15.914   3.2483   11.819   5.1099  994.630  105.928  829.256  199.269 165.3744 225.6746 
1 1 1    6   14   20 o  757.199  198.023   9.9267   4.7484   0.0000   0.0000   9.9267   4.7484  ?   ?   757.199  198.023 0.000000 198.0228 
1 1 1    6   14   22 o  1518.58  111.524   37.155   5.2659   37.155   5.2659   0.0000   0.0000  1518.58  111.524  ?   ?  0.000000 111.5244 
1 1 1    6   14   24 o  430.948  167.508   2.1079   3.2433   2.1079   3.2433   0.0000   0.0000  430.948  167.508  ?   ?  0.000000 167.5085 
1 1 1    6   14   26 o  2526.51  182.109  106.854   14.310  106.854   14.310   0.0000   0.0000  2526.51  182.109  ?   ?  0.000000 182.1093 
1 1 1    6   14   28 o  1395.80  127.268   31.696   5.5012   37.144   7.4921   25.323   8.1036  1494.84  162.691  1200.12  223.878 294.7186 276.7479 
1 1 1    6   14   30 f  1005.05  126.349   16.563   3.8884   16.563   3.8884   0.0000   0.0000  1005.05  126.349  ?   ?  0.000000 126.3490 
1 1 1    6   14   32 o  1019.02  112.815   16.921   3.5393   20.800   3.9580   1.4455   7.9066  1130.75  113.312  568.684  244.941 562.0625 269.8806 
1 1 1    6   14   34 o  1491.53  136.758   36.788   6.3159   43.994   8.4972   27.891   9.4414  1608.78  171.316  1219.73  255.393 389.0521 307.5300 
1 1 1    6   14   36 o  1856.84  137.349   57.193   7.9292   79.032   10.835   32.012   11.635  2161.97  161.212  1256.86  299.825 905.1044 340.4177 
1 1 1    6   14   38 o  1580.19  145.171   42.118   7.1027   57.459   9.6241   23.767   10.526  1823.47  170.536  1056.06  302.701 767.4133 347.4343 
1 1 1    6   14   40 o  460.532  131.178   3.6707   1.9830   3.6569   2.0382   3.9152   8.5785  459.735  133.616  588.875  254.382 -129.1408 287.3389 
1 1 1    6   14   42 o  661.651  234.654   9.5835   6.0926   10.011   7.3282   8.6266   10.964  663.588  253.390  639.115  281.588 24.47247 378.8118 
1 1 1    6   14   44 o  1142.90  220.013   29.222   7.5879   25.237   9.2316   37.521   13.322  925.158  287.937  973.607  346.807 -48.44873 450.7582 
1 1 1    6   14   46 f  450.898  206.946   3.2121   6.6499  -4.5100   7.8283   23.227   12.603  386.410  189.531  656.925  294.855 -270.5149 350.5156 
1 1 1    6   14   48 o  542.457  234.512   11.631   7.3021   4.5296   8.5899   30.131   13.865  441.203  212.156  603.353  284.154 -162.1502 354.6181 
1 1 1    6   15    1 o  866.429  151.551   12.316   3.9618   0.0000   0.0000   12.316   3.9618  ?   ?   866.429  151.551 0.000000 151.5506 
1 1 1    6   15    3 o  2030.60  157.727   66.351   9.9501   0.0000   0.0000   66.351   9.9501  ?   ?   2030.60  157.727 0.000000 157.7267 
1 1 1    6   15    5 o  2797.27  180.146  126.611   15.695   0.0000   0.0000  126.611   15.695  ?   ?   2797.27  180.146 0.000000 180.1459 
1 1 1    6   15    7 f  2602.45  121.226  107.506   9.8785  110.576   14.007  104.468   13.934  2616.17  171.944  2540.60  176.246 75.56128 246.2261 
1 1 1    6   15    9 o  1858.25  157.374   55.746   9.0710   0.0000   0.0000   55.746   9.0710  ?   ?   1858.25  157.374 0.000000 157.3744 
1 1 1    6   15   11 o  1700.81   88.984   45.787   4.7225   47.904   5.7786   41.530   8.1948  1735.69  106.843  1597.86  166.222 137.8358 197.5983 
1 1 1    6   15   13 o  1535.05   91.263   37.368   4.3669   38.258   5.2325   35.324   7.9269  1549.25  108.548  1467.17  176.063 82.08643 206.8357 
1 1 1    6   15   15 o  511.000  130.114   4.3333   2.0874   3.3239   2.3903   7.5764   4.2847  458.868  147.001  671.451  193.323 -212.5832 242.8648 
1 1 1    6   15   17 o  432.584  140.838   2.9268   2.1881   2.9268   2.1881   0.0000   0.0000  432.584  140.838  ?   ?  0.000000 140.8380 
1 1 1    6   15   21 o  1357.29  114.226   29.684   4.8095   29.684   4.8095   0.0000   0.0000  1357.29  114.226  ?   ?  0.000000 114.2261 
1 1 1    6   15   23 o  1597.13   93.818   40.675   4.6712   41.692   5.6534   38.486   8.2931  1610.61  112.811  1518.45  177.785 92.15454 210.5564 
1 1 1    6   15   25 o  1397.84   97.072   31.214   4.2225   33.123   5.0342   26.686   7.7546  1435.16  112.937  1249.39  205.357 185.7748 234.3634 
1 1 1    6   15   27 o  974.000  116.178   15.392   3.4733   18.182   4.0280   7.3030   6.8587  1057.26  124.029  685.536  248.276 371.7248 277.5321 
1 1 1    6   15   29 o  962.400  160.356   15.529   4.6623   13.796   6.1771   17.823   7.1073  882.886  223.293  1001.72  231.272 -118.8293 321.4756 
1 1 1    6   15   31 o  665.079  226.561   7.4015   5.6506   7.4015   5.6506   0.0000   0.0000  665.079  226.561  ?   ?  0.000000 226.5609 
1 1 1    6   15   33 o  1666.57  135.082   45.569   6.9885   51.895   9.4254   37.846   10.415  1753.67  173.942  1451.57  237.345 302.0966 294.2589 
1 1 1    6   15   35 o  2258.22  113.641   82.653   8.0099   93.594   9.5193   56.121   14.824  2392.96  127.503  1712.79  286.516 680.1653 313.6056 
1 1 1    6   15   37 o  1575.61  150.113   41.753   7.3165   57.600   9.8846   22.551   10.881  1831.20  174.500  1036.23  310.720 794.9684 356.3665 
1 1 1    6   15   39 o  483.645  202.702   2.1306   5.1662  -0.0001   6.3846   6.1714   8.7926  477.974  212.513  641.757  266.324 -163.7834 340.7196 
1 1 1    6   15   41 o  1197.35  184.978   26.953   6.7116   33.550   8.8900   18.209   10.235  1283.30  229.668  836.647  303.244 446.6563 380.4002 
1 1 1    6   15   43 o  387.541  129.496   2.6248   1.8457   2.4963   1.8693   7.6016   11.637  380.663  130.307  592.742  272.680 -212.0793 302.2155 
1 1 1    6   15   45 o  552.755  267.039   8.8223   14.006   0.0000   0.0000   8.8223   14.006  ?   ?   552.755  267.039 0.000000 267.0391 
1 1 1    6   15   47 o  458.124  230.082  -0.3221   14.566   0.0000   0.0000  -0.3221   14.566  ?   ?   458.124  230.082 0.000000 230.0819 
1 1 1    6   15   51 o  388.326  193.320   4.4844   9.3033   4.4844   9.3033   0.0000   0.0000  388.326  193.320  ?   ?  0.000000 193.3203 
1 1 1    6   16    0 o  1268.40  146.690   25.967   5.7186   0.0000   0.0000   25.967   5.7186  ?   ?   1268.40  146.690 0.000000 146.6902 
1 1 1    6   16    2 o  757.655  126.205   9.3435   2.8888   7.3531   4.3723   10.885   3.8483  667.903  196.157  812.277  156.985 -144.3744 251.2402 
1 1 1    6   16    4 o  1916.53  110.486   58.306   6.6023   59.578   9.3889   57.061   9.2862  1924.11  157.209  1882.17  159.055 41.93420 223.6361 
1 1 1    6   16    6 o  1384.13   88.288   30.325   3.8065   31.421   4.6437   28.082   6.6455  1405.62  106.293  1313.64  165.216 91.98352 196.4548 
1 1 1    6   16    8 o  864.864  204.511   12.635   5.4513   0.0000   0.0000   12.635   5.4513  ?   ?   864.864  204.511 0.000000 204.5111 
1 1 1    6   16   10 o  1574.76   90.051   39.269   4.4220   37.304   5.2430   44.109   8.2300  1530.41  110.147  1649.62  161.399 -119.2096 195.4017 
1 1 1    6   16   12 o  820.722  124.349   10.954   3.0955   10.954   3.0955   0.0000   0.0000  820.722  124.349  ?   ?  0.000000 124.3490 
1 1 1    6   16   14 o  996.262  156.501   16.356   4.7212   16.356   4.7212   0.0000   0.0000  996.262  156.501  ?   ?  0.000000 156.5006 
1 1 1    6   16   16 o  1768.85  109.749   49.973   6.0487   49.973   6.0487   0.0000   0.0000  1768.85  109.749  ?   ?  0.000000 109.7489 
1 1 1    6   16   18 o  2120.44  118.994   72.062   7.8688   84.275   10.924   58.893   11.344  2276.20  154.184  1879.21  195.648 396.9854 249.1003 
1 1 1    6   16   20 o  938.670  108.353   14.211   3.1262   15.901   3.7612   10.433   5.6224  989.340  124.147  776.984  220.733 212.3555 253.2502 
1 1 1    6   16   22 o  613.912  141.058   6.3012   2.6546   6.1580   3.1314   6.6670   5.0046  605.202  162.026  641.843  213.193 -36.64050 267.7752 
1 1 1    6   16   24 o  1578.06   98.873   39.681   4.8609   46.462   5.8785   25.021   8.6438  1704.38  110.751  1199.18  238.592 505.2020 263.0435 
1 1 1    6   16   26 o  808.940  134.824   10.780   3.2949   12.059   3.8235   7.0896   6.4945  852.528  148.634  677.797  242.069 174.7308 284.0586 
1 1 1    6   16   28 o  1488.26  103.398   35.443   4.7885   41.364   5.6116   19.582   9.1846  1605.27  112.348  1036.04  277.535 569.2319 299.4125 
1 1 1    6   16   30 o  1902.97  100.877   57.904   5.9895   57.285   7.0283   59.545   11.447  1884.77  119.711  1876.04  197.852 8.731812 231.2493 
1 1 1    6   16   32 o  1577.49  120.128   40.309   5.8891   40.309   5.8891   0.0000   0.0000  1577.49  120.128  ?   ?  0.000000 120.1283 
1 1 1    6   16   34 o  494.830  200.505   2.3487   4.8339   8.0782   6.1400  -6.9914   7.8395  688.247  236.150  449.151  212.178 239.0966 317.4687 
1 1 1    6   16   36 o  2384.35  140.113   93.883   10.415  103.186   14.225   83.133   15.290  2451.87  186.684  2151.27  230.585 300.6001 296.6820 
1 1 1    6   16   38 o  608.764  219.992   6.3850   5.3807   7.0056   6.8564   5.3901   8.6816  642.832  245.186  634.112  264.017 8.719177 360.3071 
1 1 1    6   16   40 o  790.532  234.518   12.957   6.2232   10.201   8.1089   16.906   9.7069  694.815  266.251  837.538  296.279 -142.7225 398.3351 
1 1 1    6   16   42 o  1293.68  314.642   44.472   12.623   0.0000   0.0000   44.472   12.623  ?   ?   1293.68  314.642 0.000000 314.6415 
1 1 1    6   16   44 f  778.449  331.605   27.844   14.202   0.0000   0.0000   27.844   14.202  ?   ?   778.449  331.605 0.000000 331.6055 
1 1 1    6   16   46 o  682.003  256.059   15.036   7.4080   11.584   8.6647   24.416   14.282  582.837  253.709  650.654  300.315 -67.81665 393.1379 
1 1 1    6   16   48 o  501.068  229.162   8.7236   8.0559   0.0004   9.3965   32.921   15.650  419.532  206.154  611.847  292.103 -192.3151 357.5240 
1 1 1    6   16   50 o  432.593  210.579   6.9331   9.1404   6.9331   9.1404   0.0000   0.0000  432.593  210.579  ?   ?  0.000000 210.5795 
1 1 1    6   17    1 f  1796.58  109.290   51.222   6.1190   56.052   8.7614   46.623   8.5495  1868.60  151.033  1699.69  162.625 168.9159 221.9408 
1 1 1    6   17    3 o  2317.25   95.957   84.732   6.9625   85.009   8.5190   84.174   12.083  2313.50  117.991  2284.68  170.118 28.81885 207.0314 
1 1 1    6   17    5 o  3627.69  116.660  208.532   13.252  198.024   16.191  229.849   23.062  3522.85  146.783  3762.99  196.407 -240.1294 245.1959 
1 1 1    6   17    9 o  1936.40  112.074   59.637   6.7663   59.637   6.7663   0.0000   0.0000  1936.40  112.074  ?   ?  0.000000 112.0737 
1 1 1    6   17   11 o  1974.53  112.446   62.076   6.9234   62.076   6.9234   0.0000   0.0000  1974.53  112.446  ?   ?  0.000000 112.4456 
1 1 1    6   17   13 o  1602.82   90.761   40.738   4.5364   40.769   5.5056   40.672   8.0057  1598.54  110.674  1579.13  164.314 19.40674 198.1105 
1 1 1    6   17   15 o  1808.47  116.195   52.266   6.5450   58.923   9.1956   45.430   9.3177  1905.85  155.443  1660.91  182.152 244.9471 239.4616 
1 1 1    6   17   17 o  726.426  117.316   8.6065   2.5776   9.2960   3.0053   6.6886   5.0125  751.884  132.492  645.297  213.315 106.5873 251.1127 
1 1 1    6   17   19 o  795.955  149.811   10.502   3.5968   10.502   3.5968   0.0000   0.0000  795.955  149.811  ?   ?  0.000000 149.8112 
1 1 1    6   17   21 o  1608.17   96.128   41.083   4.8185   46.290   5.8388   29.965   8.5318  1703.69  110.037  1334.33  211.237 369.3589 238.1792 
1 1 1    6   17   23 o  1137.88  107.227   20.732   3.7754   22.264   4.5025   17.105   6.9292  1175.19  124.239  996.132  227.185 179.0620 258.9371 
1 1 1    6   17   25 o  1547.02  126.259   38.491   6.0628   41.471   8.0752   34.642   9.1785  1591.96  164.361  1433.75  210.734 158.2070 267.2518 
1 1 1    6   17   27 o  1194.12  113.955   22.941   4.2091   25.334   4.8824   16.014   8.3064  1251.69  126.300  947.404  267.997 304.2825 296.2666 
1 1 1    6   17   29 o  1257.89  150.933   26.003   5.8262   34.025   7.9120   16.501   8.6112  1427.44  181.088  954.845  273.818 472.5969 328.2820 
1 1 1    6   17   31 o  799.584  133.242   10.573   3.2186   11.005   3.5168   8.3431   7.9866  812.957  143.395  727.862  267.254 85.09576 303.2929 
1 1 1    6   17   33 o  850.024  151.140   12.124   3.8754   12.124   3.8754   0.0000   0.0000  850.024  151.140  ?   ?  0.000000 151.1397 
1 1 1    6   17   35 o  2174.07  116.011   76.550   7.8690   87.909   9.2839   47.570   14.829  2321.75  128.198  1555.56  315.248 766.1923 340.3174 
1 1 1    6   17   37 o  896.230  296.339   16.664   9.6734   0.0000   0.0000   16.664   9.6734  ?   ?   896.230  296.339 0.000000 296.3387 
1 1 1    6   17   39 o  572.675  256.816   1.8765   9.5391   0.0000   0.0000   1.8765   9.5391  ?   ?   572.675  256.816 0.000000 256.8162 
1 1 1    6   17   41 o  325.112  159.963  -9.0281   5.7170 -19.9592   7.0997   11.132   9.6417  301.726  152.584  684.939  281.023 -383.2126 319.7747 
1 1 1    6   17   43 o  697.463  254.370   12.462   7.2177   22.145   8.4195 -14.3798   14.018  922.832  272.536  466.125  232.877 456.7065 358.4791 
1 1 1    6   17   45 o  610.178  247.987   10.620   7.4192   2.9854   8.6043   32.750   14.649  489.676  228.425  794.032  337.477 -304.3561 407.5153 
1 1 1    6   17   47 o  459.805  216.650   3.3180   8.0771  -5.6013   9.3980   28.528   15.800  400.723  198.612  633.672  299.914 -232.9494 359.7152 
1 1 1    6   17   49 f  305.981  155.399 -15.4586   7.9257 -18.5992   9.1937  -6.3700   15.640  ?   ?   ?   ?  0.000000      ? 
1 1 1    6   18    0 f  1451.28   95.983   33.378   4.3371   33.251   5.3191   33.628   7.4920  1443.94  118.695  1438.76  169.556 5.178833 206.9729 
1 1 1    6   18    2 o  592.926  174.446   5.7535   3.4553   5.7535   3.4553   0.0000   0.0000  592.926  174.446  ?   ?  0.000000 174.4458 
1 1 1    6   18    4 o  704.745  205.454   8.2486   4.8124   8.2486   4.8124   0.0000   0.0000  704.745  205.454  ?   ?  0.000000 205.4542 
1 1 1    6   18    6 o  1292.38  166.789   27.241   6.5920   27.241   6.5920   0.0000   0.0000  1292.38  166.789  ?   ?  0.000000 166.7889 
1 1 1    6   18    8 o  348.141  154.904  -1.1752   3.3984   2.6594   4.6760  -5.4680   4.9476  510.423  200.362  355.962  168.279 154.4602 261.6538 
1 1 1    6   18   10 o  366.954  144.408   1.2678   2.4348   2.3369   2.9936  -0.8214   4.1848  435.194  162.896  398.678  174.854 36.51663 238.9750 
1 1 1    6   18   12 o  1584.38   91.244   39.775   4.5076   40.595   5.4670   38.032   7.9659  1596.43  110.037  1527.12  169.445 69.31079 202.0394 
1 1 1    6   18   14 o  560.023  179.544   4.9926   3.5652   4.9926   3.5652   0.0000   0.0000  560.023  179.544  ?   ?  0.000000 179.5441 
1 1 1    6   18   16 o  809.847  111.140   10.586   2.7440   9.0485   3.2547   14.364   5.1023  739.933  145.662  927.233  182.235 -187.3000 233.2961 
1 1 1    6   18   18 o  830.764  121.756   11.189   3.0733   11.966   3.7658   9.6394   5.3180  853.805  146.110  756.493  214.590 97.31219 259.6092 
1 1 1    6   18   20 o  469.978  155.674   3.3901   2.6691   5.1189   3.2309  -0.3256   4.7366  560.777  169.578  436.347  188.757 124.4301 253.7441 
1 1 1    6   18   22 o  385.181  153.647   1.2670   2.7910   1.7736   3.2454  -0.1721   5.4695  424.766  166.862  471.262  203.349 -46.49594 263.0472 
1 1 1    6   18   24 o  1486.26  103.818   35.184   4.8012   37.120   5.6623   30.233   9.0569  1522.58  119.732  1335.72  224.509 186.8643 254.4405 
1 1 1    6   18   26 o  780.081  180.039   10.294   4.3084   6.8112   5.2771   17.256   7.4612  652.952  218.963  994.551  241.909 -341.5988 326.2890 
1 1 1    6   18   28 o  1922.65  106.518   58.974   6.3877   63.574   7.5011   46.836   12.184  1991.20  120.879  1648.85  243.309 342.3511 271.6816 
1 1 1    6   18   30 o  1545.90  109.244   38.280   5.2540   39.029   6.0446   35.968   10.626  1555.59  125.154  1436.01  245.116 119.5767 275.2185 
1 1 1    6   18   32 o  2455.34  143.060   98.039   10.951  125.090   14.680   64.099   16.444  2752.85  171.156  1879.38  288.659 873.4680 335.5869 
1 1 1    6   18   34 o  2248.03  172.010   84.530   12.016   84.530   12.016   0.0000   0.0000  2248.03  172.010  ?   ?  0.000000 172.0105 
1 1 1    6   18   36 o  1186.68  153.692   23.868   5.5767   30.470   6.5266   6.0091   10.734  1339.42  158.704  690.977  291.023 648.4405 331.4836 
1 1 1    6   18   38 o  1163.61  134.806   22.973   4.8207   27.626   5.3403   2.4922   11.204  1276.45  135.693  618.438  277.765 658.0164 309.1374 
1 1 1    6   18   40 o  819.430  243.561   14.419   6.7075   19.453   8.5113   6.1696   10.896  919.259  274.620  630.551  279.115 288.7085 391.5623 
1 1 1    6   18   42 o  661.551  246.339   10.108   6.8286   3.7390   8.5938   21.016   11.247  543.942  243.857  830.711  314.703 -286.7689 398.1258 
1 1 1    6   18   44 o  607.091  189.975   7.8323   4.0125   7.4910   4.1963   11.472   13.705  589.902  195.185  617.321  288.076 -27.41882 347.9727 
1 1 1    6   18   46 o  597.896  194.945   8.2503   4.1917   8.2503   4.1917   0.0000   0.0000  597.896  194.945  ?   ?  0.000000 194.9446 
1 1 1    6   18   48 o  470.190  227.268   4.6739   10.176   4.6739   10.176   0.0000   0.0000  470.190  227.268  ?   ?  0.000000 227.2682 
1 1 1    6   19    1 o  419.953  165.519   1.6533   3.2033   1.6533   3.2033   0.0000   0.0000  419.953  165.519  ?   ?  0.000000 165.5192 
1 1 1    6   19    3 o  556.566  156.861   5.0890   2.8511   7.8934   3.4172  -1.3352   5.1720  688.940  161.257  436.523  192.809 252.4164 251.3545 
1 1 1    6   19    5 o  1481.82   98.497   34.819   4.5442   32.230   5.4403   40.794   8.2647  1420.15  123.573  1586.17  169.005 -166.0254 209.3638 
1 1 1    6   19    7 o  907.049  144.503   13.424   3.9664   12.109   5.3163   15.076   5.9571  847.873  202.946  946.467  206.789 -98.59430 289.7388 
1 1 1    6   19    9 o  1050.07  131.070   17.783   4.2157   12.043   6.0822   23.091   5.8486  843.473  225.806  1190.85  160.973 -347.3801 277.3091 
1 1 1    6   19   11 o  801.655  214.007   10.828   5.4726   0.0000   0.0000   10.828   5.4726  ?   ?   801.655  214.007 0.000000 214.0070 
1 1 1    6   19   13 o  389.017  158.766   0.9504   3.0571   1.4363   4.3078   0.4573   4.3392  462.436  188.568  437.907  184.765 24.52899 263.9995 
1 1 1    6   19   15 o  1290.14  102.284   26.449   4.0981   31.395   5.1036   17.469   6.8763  1403.26  117.223  1017.16  222.121 386.1046 251.1551 
1 1 1    6   19   17 o  627.756  177.293   6.5090   3.6383   8.3926   4.9262   4.2485   5.3965  711.562  207.991  581.471  218.503 130.0912 301.6682 
1 1 1    6   19   19 o  695.178  145.169   7.9840   3.0580   10.459   3.6909   2.5643   5.4613  796.274  153.596  536.829  214.661 259.4453 263.9527 
1 1 1    6   19   21 o  382.455  156.162   0.9211   2.9594   3.9719   3.5561  -5.9505   5.3371  518.976  179.624  368.777  174.471 150.1992 250.4100 
1 1 1    6   19   23 o  547.057  172.609   4.7906   3.3052   4.2569   3.7833   6.5111   6.7931  535.218  185.270  676.144  246.746 -140.9258 308.5593 
1 1 1    6   19   25 o  1008.18  133.010   16.495   4.0964   19.018   4.7358   8.9949   8.1639  1080.84  143.477  763.401  271.534 317.4374 307.1095 
1 1 1    6   19   27 o  306.730  143.801  -3.4056   3.4815  -0.8977   4.0387 -10.6592   6.8686  388.257  170.991  382.689  185.410 5.568420 252.2200 
1 1 1    6   19   29 o  1812.68  141.709   53.121   7.9793   73.877   10.223   20.764   12.764  2133.54  154.060  1063.42  339.597 1070.121 372.9086 
1 1 1    6   19   31 o  1322.83  140.885   28.532   5.7458   32.940   6.8710   18.281   10.478  1415.54  157.698  997.193  306.173 418.3465 344.3990 
1 1 1    6   19   33 o  1433.50  132.350   33.538   5.8736   33.538   5.8736   0.0000   0.0000  1433.50  132.350  ?   ?  0.000000 132.3496 
1 1 1    6   19   35 o  1357.32  119.944   30.170   5.0453   31.226   5.6454   25.978   11.245  1374.35  132.840  1127.28  309.259 247.0713 336.5821 
1 1 1    6   19   37 o  1694.71  118.774   47.460   6.2629   50.406   7.1072   37.221   13.249  1736.44  131.695  1289.65  327.478 446.7870 352.9665 
1 1 1    6   19   39 o  1087.32  143.915   20.528   4.7794   22.631   5.2615   10.604   11.430  1136.40  151.647  716.750  301.007 419.6525 337.0495 
1 1 1    6   19   41 o  908.282  299.050   21.285   9.8551   21.285   9.8551   0.0000   0.0000  908.282  299.050  ?   ?  0.000000 299.0502 
1 1 1    6   19   43 o  379.252  187.549 -11.1875   8.2088 -11.1875   8.2088   0.0000   0.0000  379.252  187.549  ?   ?  0.000000 187.5494 
1 1 1    6   19   45 o  551.519  251.261   6.5935   9.5666   6.5935   9.5666   0.0000   0.0000  551.519  251.261  ?   ?  0.000000 251.2609 
1 1 1    6   19   47 o  537.459  242.717   8.4691   8.6917   2.9758   9.9601   26.011   17.798  480.071  230.219  617.580  299.024 -137.5088 377.3811 
1 1 1    6   20    0 o  342.958  146.312  -0.0089   2.7723  -0.0614   3.2300   0.1379   5.4025  368.266  157.539  478.496  204.193 -110.2298 257.9015 
1 1 1    6   20    2 o  421.642  158.515   2.1156   2.8408   0.2224   3.3960   6.5278   5.1845  385.427  163.083  650.091  217.037 -264.6646 271.4797 
1 1 1    6   20    4 o  1814.37   98.625   52.052   5.5820   52.853   6.7511   50.322   9.9247  1824.29  118.834  1762.97  182.425 61.31384 217.7161 
1 1 1    6   20    6 o  1097.90  110.210   19.222   3.7377   17.801   4.5893   22.020   6.4412  1049.32  143.433  1158.86  183.631 -109.5431 233.0095 
1 1 1    6   20    8 o  1854.53   96.058   54.338   5.5589   56.125   6.8764   50.966   9.4441  1880.73  117.352  1778.16  171.756 102.5693 208.0180 
1 1 1    6   20   10 o  1244.58  132.894   24.817   5.0989   29.873   7.4278   20.311   7.0121  1355.24  179.449  1105.22  210.304 250.0214 276.4588 
1 1 1    6   20   12 o  1093.58  135.846   19.244   4.5515   22.908   6.5845   15.891   6.2987  1182.80  183.747  974.415  212.431 208.3813 280.8731 
1 1 1    6   20   14 o  220.313  109.034  -6.4217   2.7943  -9.1641   4.0007  -3.8094   3.9046  263.371  130.365  326.554  152.838 -63.18265 200.8848 
1 1 1    6   20   16 o  304.647  136.984  -1.3001   2.7338   1.7991   3.4294  -6.7026   4.5278  435.878  171.431  319.124  153.593 116.7539 230.1729 
1 1 1    6   20   18 o  1458.61  102.807   33.749   4.6654   36.902   5.6681   27.125   8.2153  1522.10  119.897  1278.39  212.707 243.7112 244.1707 
1 1 1    6   20   20 o  776.896  149.799   9.9398   3.5120   10.730   4.2107   8.1343   6.3661  803.108  172.583  718.942  240.499 84.16632 296.0151 
1 1 1    6   20   22 o  1560.12  136.147   39.034   6.5843   43.791   8.7652   32.874   9.9749  1641.64  173.128  1397.22  236.428 244.4152 293.0387 
1 1 1    6   20   24 o  356.158  173.844 -11.3129   6.3510   0.0000   0.0000 -11.3129   6.3510  ?   ?   356.158  173.844 0.000000 173.8441 
1 1 1    6   20   26 o  436.597  182.191   0.8073   4.1474  -1.7977   4.8677   7.7079   7.9227  411.735  184.133  728.797  266.395 -317.0626 323.8382 
1 1 1    6   20   28 o  1126.29  152.574   20.748   5.2423   15.133   6.2327   34.324   9.6920  940.064  216.242  1424.22  224.786 -484.1593 311.9122 
1 1 1    6   20   30 f  367.423  157.017   0.0773   3.2028   0.4739   3.4174  -2.7864   9.1823  390.009  164.231  557.635  250.867 -167.6261 299.8437 
1 1 1    6   20   32 o  1195.51  131.020   23.343   4.8243   24.395   5.4400   19.466   10.440  1216.69  145.689  1013.45  304.459 203.2334 337.5208 
1 1 1    6   20   34 o  419.130  173.816   1.1842   3.7415   1.1842   3.7415   0.0000   0.0000  419.130  173.816  ?   ?  0.000000 173.8161 
1 1 1    6   20   36 o  466.479  184.111   2.6668   3.9684   2.6668   3.9684   0.0000   0.0000  466.479  184.111  ?   ?  0.000000 184.1110 
1 1 1    6   20   38 o  310.833  146.636  -3.3659   3.7209  -3.3659   3.7209   0.0000   0.0000  310.833  146.636  ?   ?  0.000000 146.6359 
1 1 1    6   20   40 o  604.019  205.847   6.9896   4.6646   6.9896   4.6646   0.0000   0.0000  604.019  205.847  ?   ?  0.000000 205.8473 
1 1 1    6   20   42 o  554.548  237.681   4.8323   7.3776  -1.7379   9.1064   17.381   12.585  491.994  231.268  763.857  317.944 -271.8631 393.1580 
1 1 1    6   20   44 f  633.199  257.878   10.099   8.0439   8.5904   9.9386   12.964   13.696  604.003  267.005  652.255  298.489 -48.25195 400.4836 
1 1 1    6   20   46 o  636.721  215.774   9.8202   5.1251   11.728   5.3367 -12.8139   18.383  694.765  219.342  486.484  245.974 208.2807 329.5666 
1 1 1    6   21    1 o  1057.07  118.903   17.853   3.8673   17.822   4.6585   17.922   6.9365  1050.96  145.462  1037.01  220.414 13.95313 264.0860 
1 1 1    6   21    3 o  1340.16  104.356   28.462   4.3447   28.006   5.3078   29.389   7.5633  1324.95  129.596  1345.30  184.398 -20.34424 225.3837 
1 1 1    6   21    5 f  1718.84  120.026   46.858   6.4194   46.904   8.8965   46.808   9.2719  1709.17  168.422  1705.40  176.169 3.772095 243.7240 
1 1 1    6   21    7 o  1701.84   98.337   45.747   5.2179   49.762   6.4722   38.291   8.8196  1772.01  117.309  1537.84  187.005 234.1647 220.7535 
1 1 1    6   21    9 o  1110.78  133.951   19.792   4.5650   22.261   6.4335   17.289   6.4785  1168.19  181.792  1020.21  209.805 147.9862 277.6087 
1 1 1    6   21   11 o  1536.43  101.893   37.348   4.8742   38.180   5.9691   35.685   8.4439  1549.65  124.054  1483.62  185.840 66.03699 223.4409 
1 1 1    6   21   13 o  969.462  123.549   15.087   3.6652   14.107   4.4716   17.096   6.3985  929.400  159.390  1013.82  208.519 -84.41760 262.4598 
1 1 1    6   21   15 o  416.718  162.552   1.7149   3.0625   6.2217   3.7955  -6.6942   5.1845  618.590  183.066  353.348  168.535 265.2418 248.8315 
1 1 1    6   21   17 o  697.018  232.069   7.5591   5.9287   0.0000   0.0000   7.5591   5.9287  ?   ?   697.018  232.069 0.000000 232.0687 
1 1 1    6   21   19 o  381.019  181.811  -7.7502   6.0469   0.0000   0.0000  -7.7502   6.0469  ?   ?   381.019  181.811 0.000000 181.8106 
1 1 1    6   21   21 f  497.277  196.718   2.3147   4.5401   2.4472   5.7965   2.1043   7.3027  546.771  220.259  589.784  243.566 -43.01282 328.3878 
1 1 1    6   21   23 o  596.477  186.155   5.7163   3.8556   3.4832   4.4836   12.054   7.5538  530.315  199.188  848.814  259.852 -318.4985 327.4121 
1 1 1    6   21   25 o  578.503  212.147   4.5250   5.0303   2.2987   6.2782   8.5170   8.4070  557.931  227.592  760.778  274.974 -202.8472 356.9437 
1 1 1    6   21   27 o  382.678  163.696   0.0136   3.4871   1.4198   3.8587  -6.2515   8.1447  440.618  178.931  482.361  224.084 -41.74341 286.7574 
1 1 1    6   21   29 o  1007.01  176.154   16.963   5.3522   16.527   6.2328   18.184   10.444  982.333  209.050  1003.97  305.182 -21.63995 369.9161 
1 1 1    6   21   31 o  1048.01  145.341   18.140   4.6411   19.377   5.1008   12.194   11.187  1079.90  155.316  850.230  315.555 229.6661 351.7069 
1 1 1    6   21   33 o  1177.62  153.852   23.224   5.5376   23.224   5.5376   0.0000   0.0000  1177.62  153.852  ?   ?  0.000000 153.8519 
1 1 1    6   21   35 o  780.687  224.237   11.314   5.7708   11.314   5.7708   0.0000   0.0000  780.687  224.237  ?   ?  0.000000 224.2369 
1 1 1    6   21   37 o  612.858  196.615   6.7723   4.2749   5.9139   4.5941   12.312   11.671  583.441  204.037  782.796  313.525 -199.3555 374.0707 
1 1 1    6   21   39 f  377.101  168.097  -0.5470   4.0216  -2.1989   4.3173   10.290   11.058  358.308  165.287  718.331  298.432 -360.0237 341.1478 
1 1 1    6   21   41 f  688.491  208.873   9.4852   4.8959   6.2715   5.2730   29.574   13.184  579.116  216.307  1015.65  346.063 -436.5380 408.1028 
1 1 1    6   21   43 o  577.578  249.344   5.9845   8.2316   15.573   10.219 -11.7319   13.891  747.792  295.350  494.121  244.284 253.6718 383.2835 
1 1 1    6   22    0 o  717.998  182.574   8.5141   4.1139   10.267   5.5560   6.3867   6.1209  788.581  217.809  668.589  235.404 119.9919 320.7116 
1 1 1    6   22    2 o  648.732  164.960   6.9314   3.3585   5.3127   4.1685   9.9258   5.6697  589.834  194.507  777.159  221.963 -187.3253 295.1282 
1 1 1    6   22    4 o  584.873  180.706   5.4336   3.6435   8.0805   5.1729   2.8276   5.1328  707.722  214.697  537.013  210.175 170.7092 300.4466 
1 1 1    6   22    6 o  417.690  171.161   0.9719   3.5711   4.7886   4.8460  -3.5643   5.2830  587.447  209.176  404.501  185.210 182.9463 279.3871 
1 1 1    6   22    8 o  574.229  171.707   5.3017   3.3263   6.2976   4.1341   3.4733   5.6015  627.372  192.263  570.591  220.596 56.78119 292.6222 
1 1 1    6   22   10 o  712.018  161.466   8.3617   3.5170   5.8425   4.3375   13.197   6.0092  612.702  198.207  889.608  217.536 -276.9058 294.2918 
1 1 1    6   22   12 o  1185.09  146.334   22.576   5.3149   31.462   7.6205   14.161   7.4163  1394.40  178.641  919.732  250.667 474.6683 307.8088 
1 1 1    6   22   14 o  1560.77  130.037   38.777   6.2973   49.087   9.1157   29.365   8.7095  1748.39  168.598  1335.85  215.557 412.5441 273.6607 
1 1 1    6   22   16 o  1035.58  160.968   17.443   5.0501   20.136   7.1276   14.728   7.1564  1100.89  214.478  935.659  242.333 165.2268 323.6140 
1 1 1    6   22   18 o  895.357  150.004   13.066   4.0567   14.407   4.8235   9.8236   7.4989  936.533  170.774  788.885  260.918 147.6487 311.8365 
1 1 1    6   22   20 o  874.831  198.936   12.777   5.3263   7.7887   6.8245   20.550   8.5194  719.563  248.847  1101.17  252.469 -381.6039 354.4932 
1 1 1    6   22   22 o  1058.82  190.177   18.532   6.0734   19.558   7.9214   17.069   9.4603  1074.75  241.295  999.936  287.074 74.81720 375.0132 
1 1 1    6   22   24 o  661.672  222.594   6.7862   5.4538   3.4023   6.8060   12.858   9.1165  601.692  239.956  882.677  287.482 -280.9849 374.4662 
1 1 1    6   22   26 o  689.337  230.632   7.5317   5.8544   1.7626   7.6565   15.653   9.0841  590.253  247.032  950.867  283.631 -360.6149 376.1271 
1 1 1    6   22   28 o  568.050  197.794   4.8770   4.3151   4.8770   4.3151   0.0000   0.0000  568.050  197.794  ?   ?  0.000000 197.7935 
1 1 1    6   22   30 o  1609.36  136.232   42.097   6.8007   42.097   6.8007   0.0000   0.0000  1609.36  136.232  ?   ?  0.000000 136.2319 
1 1 1    6   22   32 o  984.905  162.085   16.385   4.8248   19.133   5.2978   3.0279   11.681  1064.95  164.147  686.202  296.631 378.7441 339.0193 
1 1 1    6   22   34 o  864.657  175.931   13.019   4.6012   14.963   4.9984   2.2269   11.778  927.174  178.646  662.687  291.919 264.4870 342.2447 
1 1 1    6   22   36 o  865.358  203.374   13.687   5.4175   13.687   5.4175   0.0000   0.0000  865.358  203.374  ?   ?  0.000000 203.3737 
1 1 1    6   22   38 o  530.257  200.900   4.3719   4.5839   5.0524   4.9278   0.0004   12.489  557.343  208.922  616.071  283.070 -58.72839 351.8196 
1 1 1    6   22   40 o  380.376  173.078  -1.4019   4.5216  -0.7301   4.8157  -6.4036   13.140  404.604  181.882  551.742  264.547 -147.1382 321.0388 
1 1 1    6   22   42 o  549.015  242.840   3.2458   8.2329  -1.4331   10.185   12.065   13.983  523.944  245.740  707.763  314.600 -183.8190 399.2010 
1 1 1    6   23    1 o  783.742  152.962   10.043   3.6191   11.602   4.6209   7.5701   5.8206  839.083  181.178  700.277  229.790 138.8057 292.6239 
1 1 1    6   23    3 o  563.707  215.915   3.5132   5.3311   0.0000   0.0000   3.5132   5.3311  ?   ?   563.707  215.915 0.000000 215.9146 
1 1 1    6   23    5 o  594.665  177.950   5.6791   3.5716   5.4494   4.4548   6.0924   5.9757  601.376  201.183  657.088  232.461 -55.71252 307.4293 
1 1 1    6   23    7 o  553.048  200.629   4.0542   4.4815   10.928   6.9942  -0.7333   5.8372  820.551  249.811  481.750  208.969 338.8011 325.6891 
1 1 1    6   23    9 o  756.929  197.223   9.4728   4.7215   9.5499   7.0920   9.4114   6.3276  779.766  253.540  765.933  238.386 13.83356 348.0089 
1 1 1    6   23   11 o  536.618  201.888   3.4333   4.6097   9.1872   6.8385  -1.3587   6.2407  765.081  248.976  486.597  213.469 278.4838 327.9609 
1 1 1    6   23   13 o  460.839  176.252   2.3334   3.5491   2.4875   4.3176   2.0123   6.2325  496.506  193.192  555.774  226.743 -59.26801 297.8852 
1 1 1    6   23   15 o  977.192  142.896   15.422   4.2432   19.577   5.0669   5.6666   7.7636  1101.66  150.847  688.038  261.268 413.6238 301.6877 
1 1 1    6   23   17 f  858.975  162.279   12.094   4.2048   15.219   4.8646   2.8619   8.3617  965.193  167.005  642.979  262.512 322.2141 311.1321 
1 1 1    6   23   19 o  1052.37  148.624   17.905   4.7612   22.404   5.5226   4.8791   9.3969  1178.34  153.307  710.822  282.434 467.5229 321.3593 
1 1 1    6   23   21 o  707.039  192.932   8.2877   4.3903   5.8047   4.9977   16.681   9.1884  622.561  213.066  991.320  282.372 -368.7590 353.7386 
1 1 1    6   23   23 o  464.115  193.268   0.9241   4.6532   0.9241   4.6532   0.0000   0.0000  464.115  193.268  ?   ?  0.000000 193.2675 
1 1 1    6   23   25 o  799.757  274.152   10.216   8.2744   10.216   8.2744   0.0000   0.0000  799.757  274.152  ?   ?  0.000000 274.1525 
1 1 1    6   23   27 o  385.591  182.234  -6.1422   5.7948 -16.2487   7.5858   8.0189   8.9795  364.739  180.357  749.145  281.787 -384.4054 334.5632 
1 1 1    6   23   29 o  540.013  224.706   1.9083   6.2834   5.8751   8.1499  -3.9054   9.8664  677.098  264.882  561.165  255.466 115.9332 368.0019 
1 1 1    6   23   31 o  926.499  170.262   14.569   4.7574   13.065   5.2764   21.105   11.000  865.523  198.867  1047.15  312.065 -181.6239 370.0438 
1 1 1    6   23   33 o  1086.31  154.801   19.823   5.1166   21.056   5.6831   14.547   11.756  1113.62  168.221  878.463  323.990 235.1578 365.0591 
1 1 1    6   23   35 o  377.439  170.423  -1.5577   4.2830  -0.9274   4.5816  -5.9257   12.061  403.628  179.707  573.094  268.352 -169.4659 322.9659 
1 1 1    6   23   37 o  316.400  152.799  -6.2717   4.5758  -6.2717   4.5758   0.0000   0.0000  316.400  152.799  ?   ?  0.000000 152.7995 
1 1 1    6   23   39 o  577.354  210.408   5.7489   4.9371   6.8307   5.2900  -1.5570   13.747  614.843  218.590  617.068  288.147 -2.225647 361.6768 
1 1 1    6   23   41 o  418.108  202.000  -8.0378   8.0164   11.050   10.118 -40.2136   13.137  715.341  290.010  ?   ?  0.000000 290.0096 
1 1 1    6   24    0 o  479.030  183.150   2.5062   3.8316   7.5016   5.5044  -2.1898   5.3368  693.582  223.167  431.880  192.996 261.7023 295.0441 
1 1 1    6   24    2 o  963.258  229.389   15.411   6.8197   0.0000   0.0000   15.411   6.8197  ?   ?   963.258  229.389 0.000000 229.3895 
1 1 1    6   24    4 o  551.998  204.630   3.7912   4.7016   4.8436   7.2574   3.0300   6.1720  657.628  251.912  579.701  229.350 77.92737 340.6771 
1 1 1    6   24    6 o  925.957  185.880   14.084   5.2021   10.532   8.2083   16.469   6.7251  824.809  272.989  996.791  221.242 -171.9821 351.3842 
1 1 1    6   24    8 o  866.179  152.319   12.201   3.9804   12.354   4.9987   11.935   6.5802  865.411  189.698  850.676  237.795 14.73480 304.1900 
1 1 1    6   24   10 o  502.967  180.045   3.4239   3.5948   2.3065   4.5262   5.3327   5.9159  500.013  196.854  633.588  230.410 -133.5748 303.0517 
1 1 1    6   24   12 o  473.681  196.083   1.0084   4.7491  -3.0085   6.9828   4.4656   6.4782  489.919  219.714  625.130  238.352 -135.2117 324.1697 
1 1 1    6   24   14 o  304.853  145.193  -4.9209   3.8185  -4.4624   4.5675  -5.9853   6.9593  353.787  165.495  445.569  207.040 -91.78152 265.0549 
1 1 1    6   24   16 o  932.729  204.520   14.432   5.8087   22.318   8.0893   6.0376   8.3461  1159.09  230.992  711.871  270.753 447.2166 355.8998 
1 1 1    6   24   18 o  455.878  193.302   0.2612   4.7873   0.2612   4.7873   0.0000   0.0000  455.878  193.302  ?   ?  0.000000 193.3021 
1 1 1    6   24   20 o  424.267  186.344  -1.0810   4.7678  -1.0810   4.7678   0.0000   0.0000  424.267  186.344  ?   ?  0.000000 186.3442 
1 1 1    6   24   22 o  902.387  174.738   13.482   4.7590   16.907   5.4636   2.7128   9.6880  1012.14  178.941  672.310  279.325 339.8246 331.7262 
1 1 1    6   24   24 o  987.312  163.182   16.048   4.8686   15.294   5.5579   18.535   10.093  955.101  192.492  1028.50  296.887 -73.39508 353.8286 
1 1 1    6   24   26 o  363.086  165.007  -2.2382   4.0936   1.0794   4.4839 -18.8463   10.032  457.272  190.010  433.945  213.191 23.32751 285.5772 
1 1 1    6   24   28 o  923.069  176.552   14.359   4.9170   16.910   5.5102   4.3873   10.894  1001.47  182.438  711.548  295.962 289.9222 347.6745 
1 1 1    6   24   32 o  584.004  239.802   3.2484   7.0276   2.8244   8.5543   4.1285   12.325  615.198  259.488  716.915  307.240 -101.7167 402.1571 
1 1 1    6   24   34 o  534.388  205.609   3.8163   4.8481   3.8163   4.8481   0.0000   0.0000  534.388  205.609  ?   ?  0.000000 205.6093 
1 1 1    6   24   36 o  458.131  191.055   1.5366   4.5567   1.8909   4.8952  -0.7632   12.470  478.918  198.730  632.988  287.793 -154.0692 349.7401 
1 1 1    6   24   38 o  559.022  219.270   4.5119   5.5961   4.5119   5.5961   0.0000   0.0000  559.022  219.270  ?   ?  0.000000 219.2697 
1 1 1    6   25    1 o  708.220  245.434   7.2700   6.6402   0.0000   0.0000   7.2700   6.6402  ?   ?   708.220  245.434 0.000000 245.4338 
1 1 1    6   25    3 o  497.459  182.581   3.1370   3.7271   1.8166   4.7682   5.2107   5.9755  496.705  199.883  632.936  231.355 -136.2309 305.7418 
1 1 1    6   25    5 o  606.316  191.649   5.7497   4.0732   6.3091   5.0565   4.7156   6.8743  645.552  214.288  644.565  245.586 0.9867554 325.9327 
1 1 1    6   25    7 o  994.382  147.266   15.934   4.4467   18.563   5.5818   11.368   7.3568  1069.96  172.468  839.680  256.330 230.2812 308.9501 
1 1 1    6   25    9 f  669.801  187.279   7.3211   4.0809   8.6121   5.0883   4.9934   6.8324  727.795  210.999  649.906  245.504 77.88861 323.7172 
1 1 1    6   25   11 o  1121.07  140.079   20.135   4.8099   22.014   5.7962   15.979   8.6199  1168.61  162.825  980.442  271.492 188.1641 316.5756 
1 1 1    6   25   13 o  935.819  208.521   14.507   5.9539   14.507   5.9539   0.0000   0.0000  935.819  208.521  ?   ?  0.000000 208.5214 
1 1 1    6   25   15 o  483.490  203.413   0.5677   5.2350   0.5677   5.2350   0.0000   0.0000  483.490  203.413  ?   ?  0.000000 203.4132 
1 1 1    6   25   17 o  1093.26  186.269   19.587   6.1479   19.587   6.1479   0.0000   0.0000  1093.26  186.269  ?   ?  0.000000 186.2688 
1 1 1    6   25   19 o  538.904  204.903   3.3892   4.7791   0.8432   5.4447   11.934   9.9746  496.546  208.100  874.902  300.944 -378.3560 365.8868 
1 1 1    6   25   21 o  994.791  176.552   16.327   5.2981   16.360   6.1752   16.235   10.313  988.079  206.253  977.912  304.336 10.16626 367.6423 
1 1 1    6   25   23 o  1053.36  164.573   18.219   5.2506   21.172   5.9860   8.3658   10.933  1134.33  174.094  801.575  308.669 332.7528 354.3800 
1 1 1    6   25   25 f  627.879  205.607   6.3032   4.6609   4.7652   5.2059   12.517   10.463  587.792  215.777  876.137  307.837 -288.3447 375.9303 
1 1 1    6   25   27 o  1159.63  153.686   22.056   5.4430   24.563   6.0711   11.784   12.288  1221.55  162.775  873.381  329.400 348.1686 367.4232 
1 1 1    6   25   29 o  537.856  203.365   3.7575   4.6910   6.5268   5.0636 -13.0111   12.460  636.345  214.481  546.940  260.983 89.40485 337.8085 
1 1 1    6   25   31 o  665.485  229.623   7.2215   5.8092   5.3498   6.4659   15.057   13.230  624.026  238.080  920.708  342.871 -296.6823 417.4241 
1 1 1    6   25   33 f  673.362  265.647   6.1566   8.2582  -0.9288   10.263   19.172   13.910  599.916  267.892  984.351  353.973 -384.4354 443.9178 
1 1 1    6   25   35 o  813.619  282.799   12.321   8.8191   13.715   11.078   9.9070   14.574  852.176  314.460  813.351  340.646 38.82458 463.5998 
1 1 1    6   25   37 f  477.089  221.560  -4.1816   7.9514   0.4989   9.8445 -12.9653   13.486  590.144  263.036  544.093  262.651 46.05054 371.7168 
1 1 1    6   26    0 o  657.259  246.241   5.2210   6.8436   5.2210   6.8436   0.0000   0.0000  657.259  246.241  ?   ?  0.000000 246.2408 
1 1 1    6   26    2 o  576.840  209.700   4.3508   4.8996   0.1565   6.8640   8.7080   6.9960  542.619  230.824  757.070  252.095 -214.4511 341.8062 
1 1 1    6   26    4 o  456.565  185.640   1.3126   4.1600   5.2664   5.3055  -4.9980   6.7026  617.086  218.959  449.343  206.798 167.7426 301.1784 
1 1 1    6   26    6 o  399.055  183.190  -3.7572   5.2145  -9.0051   7.6078   0.8928   7.1613  437.752  207.455  567.910  238.368 -130.1584 316.0016 
1 1 1    6   26    8 o  1152.20  179.003   21.514   6.2485   21.514   6.2485   0.0000   0.0000  1152.20  179.003  ?   ?  0.000000 179.0029 
1 1 1    6   26   10 o  499.894  208.224   0.9283   5.4034   0.9283   5.4034   0.0000   0.0000  499.894  208.224  ?   ?  0.000000 208.2244 
1 1 1    6   26   12 o  539.731  220.441   1.8145   5.8991   1.6457   8.2965   1.9872   8.3894  619.624  258.049  629.098  260.532 -9.473633 366.6963 
1 1 1    6   26   14 o  828.654  201.381   11.406   5.1741   10.379   6.0287   14.280   10.081  794.231  229.503  939.783  301.970 -145.5516 379.2860 
1 1 1    6   26   16 o  889.978  189.426   13.127   5.1168   10.168   5.9251   21.804   10.148  785.011  227.719  1131.37  286.240 -346.3546 365.7719 
1 1 1    6   26   18 o  692.834  212.274   7.7906   5.0397   9.1610   5.8259   3.7158   10.046  748.424  228.024  703.316  287.512 45.10748 366.9579 
1 1 1    6   26   20 o  1272.90  153.147   26.191   5.9816   27.539   6.8495   21.861   12.277  1300.38  172.474  1119.69  328.657 180.6880 371.1638 
1 1 1    6   26   22 o  983.784  186.112   16.103   5.5231   14.177   6.2276   23.199   11.955  914.071  220.195  1145.46  320.634 -231.3887 388.9626 
1 1 1    6   26   24 o  862.767  193.058   12.551   5.0852   10.207   5.6833   21.961   11.388  776.972  222.341  1110.19  313.713 -333.2151 384.5145 
1 1 1    6   26   26 o  387.573  175.649  -2.3278   4.5986  -3.6634   5.0313   4.4509   11.335  385.830  178.141  731.159  302.819 -345.3293 351.3306 
1 1 1    6   26   28 o  466.232  196.272   0.8296   4.8787  -0.3025   5.2758   7.5118   12.818  457.494  198.557  803.625  326.195 -346.1315 381.8740 
1 1 1    6   26   30 o  382.844  174.995  -2.7043   4.6892  -1.3317   5.0120 -12.3444   13.282  423.469  188.283  574.149  272.684 -150.6798 331.3711 
1 1 1    6   26   32 o  384.416  179.981  -4.6955   5.4226   0.2706   5.9857 -27.4271   12.806  492.363  212.591  458.919  228.197 33.44394 311.8793 
1 1 1    6   26   34 o  565.793  224.643   3.7851   5.9408   12.781   6.5498 -37.9473   14.108  839.124  238.193  441.370  222.272 397.7539 325.7924 
1 1 1    6   27    1 f  1054.85  200.973   18.235   6.3957   18.235   6.3957   0.0000   0.0000  1054.85  200.973  ?   ?  0.000000 200.9726 
1 1 1    6   27    3 o  783.033  265.228   9.2112   7.7435   9.2112   7.7435   0.0000   0.0000  783.033  265.228  ?   ?  0.000000 265.2277 
1 1 1    6   27    7 o  422.996  183.591  -0.6518   4.5108   2.2835   5.4426  -7.0918   8.0617  534.812  214.137  477.642  222.239 57.17093 308.6177 
1 1 1    6   27    9 o  471.592  194.190   1.1371   4.6246   1.7191   5.5080  -0.2534   8.5140  522.707  213.193  593.057  254.790 -70.35046 332.2188 
1 1 1    6   27   11 o  931.081  192.106   14.304   5.4149   21.959   6.5091  -2.8995   9.7578  1160.97  185.282  593.605  263.379 567.3642 322.0216 
1 1 1    6   27   13 o  1019.22  182.832   17.033   5.6206   22.880   6.5279   0.2756   11.052  1185.47  181.647  678.992  290.958 506.4832 343.0048 
1 1 1    6   27   15 o  438.605  191.206  -0.8075   4.9372   0.7395   5.7432  -5.1885   9.6648  507.255  213.216  557.590  253.454 -50.33490 331.2101 
1 1 1    6   27   17 o  489.777  203.498   1.0722   5.1424   3.3678   5.8329  -6.9370   10.895  573.127  224.122  576.398  264.674 -3.271118 346.8184 
1 1 1    6   27   19 o  709.979  220.433   8.1837   5.4142   8.5874   6.2291   6.9365   10.949  733.112  237.563  782.626  306.780 -49.51392 388.0081 
1 1 1    6   27   21 o  406.031  184.598  -2.8883   5.1299  -1.0568   5.6669 -11.2005   12.073  464.204  203.538  566.276  266.218 -102.0721 335.1111 
1 1 1    6   27   23 o  1068.69  219.168   19.300   7.0879   15.586   8.4892   27.850   12.879  951.208  271.580  1249.38  325.826 -298.1684 424.1674 
1 1 1    6   27   25 o  366.730  171.455  -4.4949   4.8909  -1.6212   5.3644 -18.6490   11.905  437.976  194.759  496.777  241.480 -58.80151 310.2316 
1 1 1    6   27   27 o  789.851  214.347   10.658   5.4366   6.4319   5.8933   34.800   14.085  652.743  230.860  1378.67  330.562 -725.9226 403.1967 
1 1 1    6   27   29 o  370.302  173.119  -4.4447   4.9855  -3.0552   5.3980 -12.5075   13.003  411.642  188.002  569.763  270.367 -158.1206 329.3066 
1 1 1    6   27   31 o  889.631  242.478   14.026   6.9394   11.806   7.9325   21.265   14.324  822.935  268.171  1056.79  360.712 -233.8507 449.4761 
1 1 1    6   28    0 o  1002.75  214.699   16.616   6.5379   16.616   6.5379   0.0000   0.0000  1002.75  214.699  ?   ?  0.000000 214.6986 
1 1 1    6   28    2 o  1018.11  307.428   17.037   10.624   17.037   10.624   0.0000   0.0000  1018.11  307.428  ?   ?  0.000000 307.4279 
1 1 1    6   28    4 o  884.206  197.887   12.916   5.3421   11.661   6.6833   15.137   8.8901  842.524  241.112  957.776  279.254 -115.2523 368.9418 
1 1 1    6   28    6 o  913.083  231.844   13.863   6.6407   11.488   9.2426   16.398   9.5476  863.464  289.779  994.454  289.239 -130.9905 409.4275 
1 1 1    6   28    8 o  612.549  231.181   4.4669   6.0549  -1.8745   8.1216   12.402   9.0850  552.059  242.822  884.045  286.938 -331.9861 375.8933 
1 1 1    6   28   10 o  749.205  244.893   8.7639   6.6133   9.0172   8.6457   8.4066   10.267  790.161  279.604  807.448  301.783 -17.28772 411.4023 
1 1 1    6   28   12 o  798.129  218.854   10.551   5.6332   12.189   6.4920   5.5594   11.333  856.235  235.009  773.907  309.309 82.32794 388.4606 
1 1 1    6   28   14 o  800.963  220.795   10.647   5.7159   8.9759   6.5220   16.182   11.869  752.689  242.999  998.728  328.158 -246.0389 408.3329 
1 1 1    6   28   16 o  379.982  178.637  -5.6286   5.4360  -0.9804   6.2843 -19.4427   10.834  493.923  215.509  463.530  226.428 30.39346 312.5922 
1 1 1    6   28   18 o  635.154  249.691   4.1200   7.2719  -1.3541   9.1278   13.631   12.032  591.086  258.766  938.560  330.083 -347.4743 419.4211 
1 1 1    6   28   20 o  725.484  224.438   8.5780   5.6184   7.9683   6.3593   10.746   11.994  715.590  240.366  875.533  326.380 -159.9434 405.3395 
1 1 1    6   28   22 o  539.205  215.454   2.5865   5.4974  -1.1324   6.0492   20.226   13.174  478.891  210.126  1081.55  344.967 -602.6583 403.9247 
1 1 1    6   28   24 o  491.760  204.835   1.1257   5.2289   1.5101   5.7392  -0.7525   12.685  520.476  215.512  696.495  304.975 -176.0187 373.4371 
1 1 1    6   28   26 o  442.087  202.473  -3.8720   6.3195  -4.3282   7.2055  -2.3516   13.154  471.754  216.112  684.416  304.627 -212.6617 373.5002 
1 1 1    6   28   28 o  501.725  246.412 -24.1310   13.369   0.0000   0.0000 -24.1310   13.369  ?   ?   501.725  246.412 0.000000 246.4117 
1 1 1    6   29    1 o  719.431  244.771   7.7239   6.5954   16.693   9.6960   0.0002   8.9976  1003.97  291.325  614.424  262.891 389.5454 392.4048 
1 1 1    6   29    3 o  583.562  214.345   4.3752   5.1380   17.160   6.2791 -21.5319   8.9384  1020.88  203.571  386.166  191.790 634.7131 279.6861 
1 1 1    6   29    5 o  478.853  213.371  -2.3964   6.4729   15.211   9.3087 -18.8804   9.0069  961.609  287.179  405.956  199.941 555.6539 349.9254 
1 1 1    6   29    7 o  1125.36  174.347   20.548   5.9449   10.524   7.1171   43.685   10.813  809.987  252.940  1640.30  215.751 -830.3157 332.4564 
1 1 1    6   29    9 o  449.277  199.433  -1.8784   5.6010  -1.6023   6.4842  -2.6903   11.117  492.653  216.823  640.666  282.841 -148.0137 356.3869 
1 1 1    6   29   11 o  797.028  254.898   10.104   7.1892   8.6107   8.9918   12.751   11.970  786.545  284.363  928.499  328.946 -141.9534 434.8193 
1 1 1    6   29   13 o  513.001  226.211  -1.7968   7.0901  -1.0500   8.7353  -3.2388   12.138  585.709  254.849  662.521  293.863 -76.81189 388.9777 
1 1 1    6   29   15 o  896.808  262.229   13.365   7.8292  -2.7987   10.412   34.395   11.876  614.435  272.369  1429.99  275.224 -815.5527 387.2119 
1 1 1    6   29   17 o  740.116  264.815   7.8285   7.7758   6.4064   9.6054   10.532   13.245  746.716  288.820  898.800  341.265 -152.0848 447.0778 
1 1 1    6   29   19 o  486.229  207.963   0.0303   5.6267   0.2790   6.2171  -1.0958   13.229  515.268  219.445  715.372  312.391 -200.1038 381.7650 
1 1 1    6   29   21 o  489.500  219.940  -2.9221   7.0321  -3.0388   8.4518  -2.6597   12.676  541.465  242.355  678.391  300.634 -136.9263 386.1561 
1 1 1    6   29   23 o  724.637  259.041   7.6804   7.4388   13.959   8.5949 -11.0642   14.850  909.407  276.938  646.846  301.189 262.5613 409.1568 
1 1 1    6   29   25 o  871.160  223.864   12.901   6.1396   9.3143   6.8140   28.376   14.155  758.676  248.610  1254.58  348.080 -495.9017 427.7454 
1 1 1    6   30    0 f  539.174  214.754   2.4408   5.4451   0.5566   6.6837   6.1595   9.3894  542.822  229.186  743.273  286.093 -200.4510 366.5732 
1 1 1    6   30    2 o  667.073  280.744   1.2757   9.9773   1.2757   9.9773   0.0000   0.0000  667.073  280.744  ?   ?  0.000000 280.7438 
1 1 1    6   30    4 f  640.369  226.990   5.7290   5.7004   3.5479   6.6798   11.574   10.935  608.935  239.333  891.612  314.568 -282.6769 395.2639 
1 1 1    6   30    6 o  676.805  260.474   5.0572   7.7823   6.7659   10.279   2.7628   11.912  776.141  299.178  745.219  309.681 30.92169 430.5923 
1 1 1    6   30    8 o  658.609  238.137   5.8626   6.3062   2.9047   7.3600   14.031   12.231  615.382  248.089  962.281  333.116 -346.8990 415.3488 
1 1 1    6   30   10 o  440.507  199.938  -3.4012   5.9860  -3.3299   6.8150  -3.6417   12.523  477.770  215.419  671.005  298.016 -193.2354 367.7208 
1 1 1    6   30   12 o  674.490  240.040   6.3864   6.3808   7.1509   7.3820   4.1276   12.689  717.605  257.887  784.034  322.119 -66.42847 412.6336 
1 1 1    6   30   14 o  481.844  212.738  -1.7228   6.2900  -1.6999   7.3351  -1.7864   12.227  524.404  230.709  684.409  299.560 -160.0051 378.1044 
1 1 1    6   30   16 o  1155.07  351.383   22.642   13.842   0.0000   0.0000   22.642   13.842  ?   ?   1155.07  351.383 0.000000 351.3826 
1 1 1    6   30   18 o  614.437  288.433 -13.1055   14.084   0.0000   0.0000 -13.1055   14.084  ?   ?   614.437  288.433 0.000000 288.4330 
1 1 1    6   30   20 o  878.575  280.551   12.600   8.7116   7.9912   10.985   20.412   14.301  806.865  309.724  1102.22  360.121 -295.3580 474.9901 
1 1 1    6   30   22 o  344.436  167.608  -9.9860   5.7766  -9.7286   6.3491 -11.2231   13.920  373.009  180.101  622.664  290.487 -249.6552 341.7878 
1 1 1    6   31    1 f  830.740  265.720   10.891   7.8124   3.7759   11.222   17.583   10.883  745.508  304.213  1034.59  310.863 -289.0790 434.9494 
1 1 1    6   31    3 o  359.603  176.924 -14.5430   6.9907 -14.5430   6.9907   0.0000   0.0000  359.603  176.924  ?   ?  0.000000 176.9243 
1 1 1    6   31    5 o  629.544  236.569   4.7598   6.3258   5.5397   7.2609   2.3033   12.886  675.349  253.516  764.734  320.303 -89.38513 408.4904 
1 1 1    6   31    7 o  856.569  237.611   12.099   6.5965   3.0992   7.6029   39.506   13.267  628.060  252.519  1541.29  285.415 -913.2307 381.0877 
1 1 1    6   31    9 o  670.028  268.725   3.7008   8.5868  -3.4593   11.080   14.469   13.587  630.659  280.196  990.476  350.517 -359.8167 448.7448 
1 1 1    6   31   11 o  621.144  259.299   1.5164   8.4054  -2.4338   11.403   6.2170   12.439  653.706  287.622  814.675  324.553 -160.9683 433.6604 
1 1 1    6   31   13 o  698.868  272.623   5.0949   8.6145   12.496   11.358  -4.9283   13.218  915.691  320.783  675.525  302.668 240.1661 441.0325 
1 1 1    6   31   15 o  890.457  343.298   9.4317   13.537   0.0000   0.0000   9.4317   13.537  ?   ?   890.457  343.298 0.000000 343.2981 
1 1 1    6   31   17 o  744.613  244.989   8.6486   6.6145   7.9837   7.4921   10.998   14.084  740.606  260.473  925.589  351.797 -184.9838 437.7293 
1 1 1    6   32    0 o  831.017  243.739   11.234   6.7548   12.996   7.9425   6.6287   12.841  893.378  264.922  835.016  330.670 58.36163 423.7056 
1 1 1    6   32    2 o  581.846  251.292  -0.7254   8.3677   2.5095   11.021  -5.1277   12.857  719.458  298.339  666.407  298.551 53.05042 422.0646 
1 1 1    6   32    4 o  511.680  228.069  -2.7819   7.4015  -2.7819   7.4015   0.0000   0.0000  511.680  228.069  ?   ?  0.000000 228.0687 
1 1 1    6   32    6 o  575.703  250.309  -1.1727   8.4143  -3.4820   10.711   2.5499   13.599  619.819  275.431  787.380  329.352 -167.5612 429.3422 
1 1 1    6   32    8 o  971.262  296.730   15.366   9.8559   3.9520   13.278   29.374   14.709  799.936  329.175  1316.10  350.616 -516.1611 480.9241 
1 1 1    6   32   10 o  673.135  249.150   5.7630   6.9646   2.5511   8.1568   14.405   13.380  634.092  259.125  987.341  348.000 -353.2484 433.8773 
1 1 1    7    0    1 o  2666.09   33.022  111.349   2.7558  111.349   2.7558  111.349   2.7558  2666.09   33.022  2666.09   33.022 -0.000000 0.000000 
1 1 1    7    0    3 o  654.267   97.990   7.1441   1.8748   7.1441   1.8748   7.1441   1.8748  654.267   97.990  654.267   97.990 -0.000000 0.000000 
1 1 1    7    0    5 o  285.489  113.161   1.7617   0.9751   1.7617   0.9751   1.7617   0.9751  285.489  113.161  285.489  113.161 -0.000000 0.000000 
1 1 1    7    0    7 o  3878.42  148.761  237.327   18.006  237.327   18.006  237.327   18.006  3878.42  148.761  3878.42  148.761 -0.000000 0.000000 
1 1 1    7    0    9 o  300.651  116.547   1.9369   1.0436   1.9369   1.0436   1.9369   1.0436  300.651  116.547  300.651  116.547 -0.000000 0.000000 
1 1 1    7    0   11 o  1949.98  104.239   60.197   6.3231   60.197   6.3231   60.197   6.3231  1949.98  104.239  1949.98  104.239 -0.000000 0.000000 
1 1 1    7    0   15 o  608.903  102.747   6.2942   1.7915   6.2942   1.7915   6.2942   1.7915  608.903  102.747  608.903  102.747 -0.000000 0.000000 
1 1 1    7    0   17 o  2615.46  169.952  109.494   13.784  109.494   13.784  109.494   13.784  2615.46  169.952  2615.46  169.952 -0.000000 0.000000 
1 1 1    7    0   19 o  1166.70  140.232   22.372   4.9270   22.372   4.9270   22.372   4.9270  1166.70  140.232  1166.70  140.232 -0.000000 0.000000 
1 1 1    7    0   21 o  894.670   96.583   13.019   2.6259   13.019   2.6259   13.019   2.6259  894.670   96.583  894.670   96.583 -0.000000 0.000000 
1 1 1    7    0   23 o  457.147  167.370   4.4153   2.2109   4.4153   2.2109   4.4153   2.2109  457.147  167.370  457.147  167.370 -0.000000 0.000000 
1 1 1    7    0   25 o  2451.65  113.830   95.650   8.6955   95.650   8.6955   95.650   8.6955  2451.65  113.830  2451.65  113.830 -0.000000 0.000000 
1 1 1    7    0   27 o  2829.85  123.147  127.649   10.865  127.649   10.865  127.649   10.865  2829.85  123.147  2829.85  123.147 -0.000000 0.000000 
1 1 1    7    0   29 o  440.941  187.110   4.4145   2.6200   4.4145   2.6200   4.4145   2.6200  440.941  187.110  440.941  187.110 -0.000000 0.000000 
1 1 1    7    0   31 o  475.282  207.947   5.2426   3.2243   5.2426   3.2243   5.2426   3.2243  475.282  207.947  475.282  207.947 -0.000000 0.000000 
1 1 1    7    0   33 o  1325.37  160.521   29.417   6.4019   29.417   6.4019   29.417   6.4019  1325.37  160.521  1325.37  160.521 -0.000000 0.000000 
1 1 1    7    0   37 o  209.358  133.405   0.2026   1.9304   0.2026   1.9304   0.2026   1.9304  209.358  133.405  209.358  133.405 -0.000000 0.000000 
1 1 1    7    0   39 o  1742.53  110.305   48.601   5.9633   48.601   5.9633   48.601   5.9633  1742.53  110.305  1742.53  110.305 -0.000000 0.000000 
1 1 1    7    0   41 o  2519.09  122.010  101.363   9.5726  101.363   9.5726  101.363   9.5726  2519.09  122.010  2519.09  122.010 -0.000000 0.000000 
1 1 1    7    0   47 o  917.503  220.488   15.780   5.4935   15.780   5.4935   15.780   5.4935  917.503  220.488  917.503  220.488 -0.000000 0.000000 
1 1 1    7    0   49 o  1766.48  169.251   52.143   9.1644   52.143   9.1644   52.143   9.1644  1766.48  169.251  1766.48  169.251 -0.000000 0.000000 
1 1 1    7    0   53 o  2206.07  182.613   82.866   12.416   82.866   12.416   82.866   12.416  2206.07  182.613  2206.07  182.613 -0.000000 0.000000 
1 1 1    7    0   55 o  1105.63  239.723   23.579   7.2760   23.579   7.2760   23.579   7.2760  1105.63  239.723  1105.63  239.723 -0.000000 0.000000 
1 1 1    7    0   57 o  988.774  275.384   20.675   7.3761   20.675   7.3761   20.675   7.3761  988.774  275.384  988.774  275.384 -0.000000 0.000000 
1 1 1    7    1    0 o  113.836   49.432  -0.0579   0.3273   0.0743   0.4911  -0.1635   0.4391  151.208   62.861  125.895   55.864 25.31357 84.09660 
1 1 1    7    1    2 o  7654.97  257.435  930.805   61.706  914.855   87.273  946.749   87.258  7531.63  370.062  7665.71  363.525 -134.0874 518.7453 
1 1 1    7    1    4 o  3075.79   90.155  148.407   8.6829  156.460   12.282  140.360   12.277  3155.35  124.310  2987.96  131.218 167.3921 180.7520 
1 1 1    7    1    6 o  2021.43   74.363   64.075   4.7069   63.852   6.6563   64.299   6.6569  2013.50  105.948  2020.60  105.580 -7.095093 149.5733 
1 1 1    7    1    8 o  2080.48   74.814   67.906   4.8737   72.208   6.8971   63.615   6.8878  2143.42  102.765  2008.33  109.947 135.0885 150.4958 
1 1 1    7    1   10 o  2275.52   90.086   81.384   6.4188   82.150   7.8614   79.853   11.118  2284.04  109.921  2239.27  159.604 44.77368 193.7937 
1 1 1    7    1   12 o  1487.44   97.300   34.987   4.5068   38.447   6.3734   31.527   6.3737  1553.26  132.303  1402.30  147.360 150.9651 198.0385 
1 1 1    7    1   14 o  1902.66  148.835   57.933   8.7965   0.0000   0.0000   57.933   8.7965  ?   ?   1902.66  148.835 0.000000 148.8355 
1 1 1    7    1   16 o  1690.57   70.779   44.927   3.7468   44.181   5.2950   45.676   5.3025  1669.85  101.752  1698.27  100.157 -28.41272 142.7760 
1 1 1    7    1   18 o  1690.28   80.989   45.008   4.2865   41.998   7.4104   46.522   5.2548  1614.74  148.217  1713.21   98.368 -98.46899 177.8893 
1 1 1    7    1   20 o  2360.07  112.722   88.544   8.3301   82.701   11.778   94.393   11.784  2254.56  168.040  2415.22  156.658 -160.6653 229.7367 
1 1 1    7    1   22 o  1360.32   96.775   29.570   4.0953   28.934   5.7815   30.211   5.8017  1330.66  140.902  1361.10  138.037 -30.44373 197.2503 
1 1 1    7    1   24 o  981.153   76.749   15.362   2.3391   15.782   4.0132   15.147   2.8787  975.996  134.926  969.012   96.143 6.983826 165.6754 
1 1 1    7    1   26 o  1583.05   81.459   40.047   4.0242   42.549   6.9384   38.779   4.9399  1601.18  139.791  1548.63  102.451 52.54871 173.3137 
1 1 1    7    1   28 o  281.825   96.829   1.1808   1.0325   2.3074   1.5707   0.3235   1.3701  376.672  119.003  253.690  105.192 122.9826 158.8298 
1 1 1    7    1   30 o  2293.05   93.739   85.100   6.7306   90.625   11.647   82.329   8.2470  2286.97  163.727  2231.16  118.470 55.80688 202.0932 
1 1 1    7    1   32 f  507.026  118.645   4.4506   1.8502   4.4801   2.1778   4.3738   3.5079  504.190  135.178  503.630  178.113 0.5600281 223.6009 
1 1 1    7    1   34 f  751.349  120.523   9.6880   2.7396   9.6880   2.7396   0.0000   0.0000  751.349  120.523  ?   ?  0.000000 120.5231 
1 1 1    7    1   36 o  1053.46   91.723   18.228   2.9954   20.042   3.5945   14.108   5.4190  1096.58  106.006  849.247  205.913 247.3372 231.5973 
1 1 1    7    1   40 o  676.849  128.645   8.0728   2.6268   8.4225   3.0402   7.0429   5.2175  680.779  146.930  593.372  216.291 87.40710 261.4769 
1 1 1    7    1   42 o  1410.57  169.483   37.566   7.3359   37.566   7.3359   0.0000   0.0000  1410.57  169.483  ?   ?  0.000000 169.4829 
1 1 1    7    1   44 o  2020.90  118.979   71.236   7.4957   76.163   10.635   66.371   10.567  1981.26  173.159  1818.22  188.331 163.0336 255.8376 
1 1 1    7    1   46 o  398.877  154.465   2.7502   2.7499   4.9353   3.8716   0.5253   3.9067  485.808  184.494  366.232  164.286 119.5757 247.0380 
1 1 1    7    1   48 o  1063.51  135.503   22.549   4.4099   25.244   6.2027   19.794   6.2708  1000.05  204.965  813.518  233.773 186.5345 310.9030 
1 1 1    7    1   50 o  1253.89  138.083   34.911   5.3316   36.912   7.4111   32.764   7.6759  1039.63  233.382  872.885  260.802 166.7440 349.9783 
1 1 1    7    1   54 o  325.244  159.102   8.1801   5.4057   8.1801   5.4057   0.0000   0.0000  325.244  159.102  ?   ?  0.000000 159.1022 
1 1 1    7    1   56 o  278.355  140.383   8.6028   5.7442   8.6028   5.7442   0.0000   0.0000  278.355  140.383  ?   ?  0.000000 140.3834 
1 1 1    7    1   58 o  ?   ?    14.714   6.6785   14.714   6.6785   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7    2    1 o  1681.12   68.958   44.293   3.6300   42.111   5.1299   46.482   5.1372  1635.14  100.682  1718.65   95.841 -83.50916 139.0052 
1 1 1    7    2    3 o  3715.40  100.852  216.642   11.733  207.457   16.592  225.830   16.594  3631.01  145.933  3789.16  139.858 -158.1477 202.1302 
1 1 1    7    2    5 o  1682.70   69.428   44.389   3.6581   43.529   5.1721   45.250   5.1746  1662.17   99.837  1695.03   97.912 -32.85962 139.8360 
1 1 1    7    2    7 o  2771.47   85.412  120.555   7.4122  116.114   10.481  125.000   10.484  2716.30  123.222  2818.84  118.782 -102.5369 171.1514 
1 1 1    7    2    9 o  1973.79   73.660   61.139   4.5525   59.118   6.4367   63.162   6.4397  1935.48  106.618  2001.28  103.114 -65.79517 148.3240 
1 1 1    7    2   11 o  1789.53   82.649   50.331   4.6312   51.982   5.6722   47.031   8.0209  1814.28  100.235  1715.85  150.820 98.42664 181.0906 
1 1 1    7    2   13 o  2297.68   90.482   83.122   6.5098   82.629   7.9737   84.108   11.273  2287.54  111.320  2292.93  157.977 -5.391602 193.2582 
1 1 1    7    2   15 o  1723.37   81.579   46.737   4.4023   46.405   7.6052   46.904   5.3987  1702.33  144.026  1721.30  100.602 -18.97388 175.6826 
1 1 1    7    2   17 o  2911.80  102.136  133.954   9.3123  140.100   16.118  130.874   11.409  2947.18  175.456  2871.08  126.907 76.10034 216.5411 
1 1 1    7    2   19 o  634.779   95.958   6.5097   1.8478   0.0000   0.0000   6.5097   1.8478  ?   ?   634.779   95.958 0.000000 95.95845 
1 1 1    7    2   23 f  592.465   78.904   5.6582   1.4274   3.7011   2.4436   6.6718   1.7586  475.661  148.158  641.670   90.001 -166.0095 173.3525 
1 1 1    7    2   25 o  383.901   87.605   2.4432   1.0298   2.0261   1.6914   2.6890   1.2982  364.435  123.956  401.521  102.812 -37.08493 161.0450 
1 1 1    7    2   27 o  1006.28   71.773   16.169   2.2467   15.412   2.7230   17.782   3.9762  976.873   90.035  1035.94  125.113 -59.06622 154.1418 
1 1 1    7    2   29 o  407.239   92.402   2.7739   1.1513   2.1177   1.6890   3.3433   1.5734  367.279  123.874  444.057  112.903 -76.77762 167.6061 
1 1 1    7    2   31 o  2222.41   93.333   80.258   6.4950   82.644   7.9441   75.449   11.280  2232.85  114.003  2055.05  177.017 177.7959 210.5509 
1 1 1    7    2   33 o  1073.23   76.605   18.655   2.5574   16.898   3.5992   20.447   3.6346  999.271  117.257  1107.40  106.117 -108.1268 158.1456 
1 1 1    7    2   35 o  1348.19  106.763   30.257   4.4702   30.257   4.4702   0.0000   0.0000  1348.19  106.763  ?   ?  0.000000 106.7635 
1 1 1    7    2   37 o  846.772  112.508   12.101   2.9093   11.863   4.3047   12.301   3.9471  798.633  176.810  826.464  158.287 -27.83099 237.3109 
1 1 1    7    2   39 o  2392.05  123.525   97.305   9.2206   97.305   9.2206   0.0000   0.0000  2392.05  123.525  ?   ?  0.000000 123.5250 
1 1 1    7    2   41 o  1750.15  168.943   56.987   9.1433   56.987   9.1433   0.0000   0.0000  1750.15  168.943  ?   ?  0.000000 168.9430 
1 1 1    7    2   43 o  1277.55  126.188   28.712   4.9820   30.042   6.4215   26.701   7.8961  1257.86  167.179  1091.83  237.703 166.0258 290.6052 
1 1 1    7    2   45 o  646.411  193.085   9.0476   4.2077   9.0476   4.2077   0.0000   0.0000  646.411  193.085  ?   ?  0.000000 193.0847 
1 1 1    7    2   47 o  300.559  140.390  -1.2080   3.2671  -1.2080   3.2671   0.0000   0.0000  300.559  140.390  ?   ?  0.000000 140.3900 
1 1 1    7    2   49 o  607.140  214.136   12.486   5.0669   12.486   5.0669   0.0000   0.0000  607.140  214.136  ?   ?  0.000000 214.1356 
1 1 1    7    2   51 f  1084.13  288.874   60.575   9.9833   60.575   9.9833   0.0000   0.0000  1084.13  288.874  ?   ?  0.000000 288.8744 
1 1 1    7    2   53 o  567.899  241.052   30.989   7.4569   0.0000   0.0000   30.989   7.4569  ?   ?   567.899  241.052 0.000000 241.0522 
1 1 1    7    2   55 o  241.113  119.751   0.2118   3.4852  -6.4786   4.8666   7.2556   4.9935  ?   ?   301.637  148.622 0.000000 148.6218 
1 1 1    7    2   57 o  275.263  135.680   7.4238   4.1751   7.8817   5.7667   6.9193   6.0527  ?   ?   ?   ?  0.000000      ? 
1 1 1    7    3    0 o  6352.40  177.182  636.240   35.243  641.710   61.060  633.507   43.158  6334.95  307.818  6327.40  217.831 7.555664 377.0968 
1 1 1    7    3    2 o 11216.06  300.205  2012.38  105.433  1982.03  129.122  2073.09  182.631 11067.71  372.585 11144.77  523.344 -77.06152 642.4240 
1 1 1    7    3    4 o  3840.42  103.168  231.582   12.406  232.138   17.546  231.025   17.544  3839.46  145.949  3830.20  146.280 9.262695 206.6376 
1 1 1    7    3    6 o  892.086   74.176   12.568   2.0532   13.272   2.5117   11.151   3.5647  915.243   88.758  829.685  142.336 85.55811 167.7422 
1 1 1    7    3    8 o  1658.24   80.745   43.168   4.1926   42.192   7.2644   43.656   5.1339  1628.37  143.955  1663.53   99.007 -35.15784 174.7155 
1 1 1    7    3   10 o  2022.47  151.452   65.168   9.5216   65.168   9.5216   0.0000   0.0000  2022.47  151.452  ?   ?  0.000000 151.4521 
1 1 1    7    3   12 f  1712.40  100.736   46.370   5.3776   46.257   7.5994   46.483   7.6108  1701.55  143.983  1705.77  143.835 -4.220825 203.5182 
1 1 1    7    3   14 o  2320.79   91.079   84.838   6.6186   85.726   11.444   84.392   8.1132  2313.50  158.941  2311.08  112.114 2.423340 194.5038 
1 1 1    7    3   16 o  1960.36   84.790   60.521   5.2047   60.126   8.9985   60.720   6.3803  1936.60  149.551  1957.91  104.449 -21.30933 182.4147 
1 1 1    7    3   18 o  2212.41   89.541   77.234   6.2030   78.734   10.771   76.490   7.5877  2211.01  156.589  2194.50  110.780 16.51001 191.8128 
1 1 1    7    3   20 o  3032.27   89.707  145.441   8.5175  148.729   12.046  142.152   12.046  3051.19  126.080  2981.55  129.023 69.63867 180.3968 
1 1 1    7    3   22 o  634.283   93.546   6.5272   1.8021   8.9320   2.6874   4.5620   2.4293  736.989  120.628  521.953  143.968 215.0361 187.8235 
1 1 1    7    3   24 o  882.238   65.419   12.372   1.7943   12.154   2.5407   12.589   2.5345  867.181   95.130  883.305   93.033 -16.12433 133.0599 
1 1 1    7    3   26 o  2196.33   87.503   77.089   6.0178   86.549   10.495   72.455   7.3455  2280.82  147.739  2113.40  111.393 167.4214 185.0278 
1 1 1    7    3   28 o  1327.18   70.578   28.085   2.9225   26.609   4.1282   29.568   4.1378  1278.25  104.043  1350.49   98.530 -72.23645 143.2939 
1 1 1    7    3   30 o  1739.51   83.756   48.662   4.5621   49.850   5.6310   46.393   7.7824  1745.85  103.467  1643.30  153.004 102.5525 184.7043 
1 1 1    7    3   32 f  900.239  164.150   14.596   4.4567   14.596   4.4567   0.0000   0.0000  900.239  164.150  ?   ?  0.000000 164.1497 
1 1 1    7    3   34 o  608.755  113.775   6.3416   2.0890   8.6098   3.2041   4.6647   2.7550  691.686  152.079  509.827  157.073 181.8596 218.6319 
1 1 1    7    3   36 o  1211.10   88.682   23.946   3.3396   21.691   5.6644   25.148   4.1347  1094.94  170.786  1228.96  108.563 -134.0222 202.3709 
1 1 1    7    3   38 o  2919.93  107.123  141.316   9.7943  142.030   11.930  139.840   17.154  2886.11  132.010  2712.20  203.474 173.9170 242.5455 
1 1 1    7    3   40 o  2539.31   98.886  106.783   7.8626  105.750   13.428  107.322   9.6992  2373.84  182.041  2507.64  123.525 -133.7986 219.9942 
1 1 1    7    3   42 o  622.345  160.413   7.3681   3.1458   3.9299   3.6864   16.579   6.0337  474.426  180.063  880.715  219.558 -406.2889 283.9517 
1 1 1    7    3   44 o  741.498  118.393   9.6967   2.6564   5.7408   4.2359   12.261   3.4103  531.851  194.730  820.247  137.658 -288.3961 238.4734 
1 1 1    7    3   46 o  833.090  202.602   15.655   5.2342   15.655   5.2342   0.0000   0.0000  833.090  202.602  ?   ?  0.000000 202.6016 
1 1 1    7    3   48 o  1000.36  212.331   26.187   6.4452   26.187   6.4452   0.0000   0.0000  1000.36  212.331  ?   ?  0.000000 212.3311 
1 1 1    7    3   50 o  363.816  165.338   3.3969   4.1100   3.3969   4.1100   0.0000   0.0000  363.816  165.338  ?   ?  0.000000 165.3384 
1 1 1    7    3   52 o  886.120  293.690   55.103   9.4992   55.103   9.4992   0.0000   0.0000  886.120  293.690  ?   ?  0.000000 293.6898 
1 1 1    7    3   54 o  305.090  149.546   5.1941   4.8486   0.0000   0.0000   5.1941   4.8486  ?   ?   305.090  149.546 0.000000 149.5464 
1 1 1    7    3   56 o  426.237  183.586   15.750   4.4416   15.451   6.3908   16.030   6.1774  310.076  155.257  320.012  159.021 -9.936157 222.2439 
1 1 1    7    3   58 o  ?   ?    8.5147   7.9831   8.5147   7.9831   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7    4    1 o  4132.44  154.883  269.010   20.041  262.529   28.340  275.494   28.346  4062.97  223.619  4163.93  218.165 -100.9602 312.4119 
1 1 1    7    4    3 o  4514.10  165.265  321.488   23.360  314.984   33.033  327.994   33.038  4443.85  238.266  4536.62  233.367 -92.77246 333.5134 
1 1 1    7    4    5 o  4565.14  166.827  329.364   23.847  340.608   33.727  318.124   33.723  4615.95  234.115  4457.23  242.538 158.7139 337.0967 
1 1 1    7    4    7 o  867.110   74.513   11.885   2.0035   11.330   3.4597   12.165   2.4574  836.855  136.755  875.324   90.989 -38.46954 164.2593 
1 1 1    7    4    9 o  2607.21  117.414  107.177   9.5855  103.510   13.550  110.851   13.562  2546.76  170.907  2637.55  165.039 -90.78564 237.5862 
1 1 1    7    4   11 o  2431.41   80.156   92.928   6.1026   93.741   8.6292   92.114   8.6316  2437.21  113.073  2415.78  114.107 21.42090 160.6425 
1 1 1    7    4   13 o  2031.68   86.392   64.963   5.4960   65.799   9.5094   64.543   6.7348  2028.61  150.782  2019.57  106.880 9.047729 184.8204 
1 1 1    7    4   15 o  1557.62   79.806   38.271   3.8793   40.324   6.7033   37.236   4.7568  1587.95  136.130  1533.16   99.626 54.78662 168.6917 
1 1 1    7    4   17 o  2309.68  110.057   84.436   7.9595   0.0000   0.0000   84.436   7.9595  ?   ?   2309.68  110.057 0.000000 110.0571 
1 1 1    7    4   19 o  1513.48   68.949   36.059   3.2675   36.839   4.6244   35.282   4.6175  1522.59   97.509  1489.46   99.580 33.13940 139.3707 
1 1 1    7    4   21 o  1218.38   65.959   23.468   2.5070   22.012   3.5417   24.931   3.5492  1173.11   97.296  1250.45   91.276 -77.34241 133.4086 
1 1 1    7    4   23 o  726.143   76.352   8.4450   1.7100   8.4751   2.1023   8.3863   2.9397  723.025   95.173  706.943  137.751 16.08130 167.4318 
1 1 1    7    4   25 o  1127.98   76.927   20.307   2.7008   20.553   3.3231   19.828   4.6356  1129.29   94.857  1091.72  138.739 37.56372 168.0665 
1 1 1    7    4   27 o  553.529  104.650   5.0973   1.7474   7.6765   2.9759   3.7401   2.1587  668.315  146.269  470.601  137.721 197.7141 200.9019 
1 1 1    7    4   29 o  1519.32   99.007   37.514   4.6844   40.811   6.7908   34.521   6.4703  1556.58  140.852  1426.38  146.973 130.2021 203.5686 
1 1 1    7    4   31 o  1025.90   83.240   17.076   2.6509   16.679   4.6810   17.264   3.2164  971.023  159.495  1022.87  101.773 -51.84503 189.1995 
1 1 1    7    4   33 o  655.996   87.013   7.0909   1.7432   8.3088   3.2217   6.5867   2.0729  678.888  154.969  622.782  110.336 56.10626 190.2348 
1 1 1    7    4   35 o  1316.61   84.285   28.147   3.4565   25.196   5.9574   29.645   4.2439  1188.39  164.508  1340.43  101.873 -152.0465 193.4968 
1 1 1    7    4   37 o  2315.23   97.440   87.728   7.0640   88.420   12.184   87.377   8.6700  2211.97  177.397  2280.33  121.865 -68.35400 215.2229 
1 1 1    7    4   39 o  1408.59  119.559   33.636   5.2235   38.136   6.9795   27.905   7.8757  1464.32  154.556  1181.48  221.010 282.8450 269.6907 
1 1 1    7    4   41 o  643.816  121.874   7.2646   2.3669   9.2254   3.9412   6.1584   2.9603  687.772  180.669  572.745  159.280 115.0269 240.8555 
1 1 1    7    4   43 o  1219.91   98.190   25.018   3.7189   24.020   6.1298   25.599   4.6783  1108.88  182.921  1208.66  125.439 -99.78516 221.7996 
1 1 1    7    4   45 o  1839.30  225.722   75.968   12.727   0.0000   0.0000   75.968   12.727  ?   ?   1839.30  225.722 0.000000 225.7223 
1 1 1    7    4   47 o  1073.59  124.359   21.576   4.1031   18.673   6.0232   24.089   5.6048  845.439  223.958  1056.79  175.536 -211.3461 284.5522 
1 1 1    7    4   51 o  343.396  164.099   3.3705   4.9639   3.3705   4.9639   0.0000   0.0000  343.396  164.099  ?   ?  0.000000 164.0986 
1 1 1    7    4   53 o  339.938  155.932   5.0394   3.7682   7.7493   7.0247   3.9446   4.4649  328.284  164.136  314.421  151.620 13.86298 223.4486 
1 1 1    7    4   55 f  ?   ?    8.1928   7.7283   8.1928   7.7283   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7    5    0 o  4372.83  131.783  300.877   18.044  320.178   31.286  291.257   22.088  4490.18  222.522  4296.43  164.185 193.7461 276.5372 
1 1 1    7    5    2 o  6777.99  187.926  727.273   39.885  679.922   69.094  750.937   48.844  6463.41  342.624  6870.01  227.059 -406.5952 411.0314 
1 1 1    7    5    4 o  4970.90  146.611  389.838   22.820  361.373   39.532  404.064   27.947  4737.08  267.610  5052.09  176.662 -315.0122 320.6628 
1 1 1    7    5    6 o  2164.15   75.938   73.508   5.1460   72.490   7.2749   74.526   7.2800  2143.64  108.739  2176.48  106.822 -32.83740 152.4305 
1 1 1    7    5    8 o  3466.41   97.288  189.036   10.560  189.401   14.934  188.671   14.933  3461.38  137.788  3454.63  138.052 6.746094 195.0482 
1 1 1    7    5   10 o  972.574   64.522   14.911   1.9538   15.547   2.7666   14.279   2.7595  990.020   90.237  947.859   94.225 42.16083 130.4650 
1 1 1    7    5   12 o  1474.84   78.798   34.293   3.6258   31.353   6.2596   35.778   4.4480  1398.08  145.100  1504.20   94.923 -106.1138 173.3909 
1 1 1    7    5   14 o  628.669   67.362   6.2788   1.3054   5.6659   1.8624   6.8707   1.8302  590.633  104.529  654.154   91.884 -63.52136 139.1724 
1 1 1    7    5   16 o  818.510   97.275   10.719   2.4443   0.0000   0.0000   10.719   2.4443  ?   ?   818.510   97.275 0.000000 97.27513 
1 1 1    7    5   18 o  515.927   86.143   4.3109   1.3426   3.0649   2.3540   4.9116   1.6345  445.634  146.130  549.151   98.680 -103.5161 176.3286 
1 1 1    7    5   20 o  1850.57   84.207   54.164   4.8795   51.128   5.9817   60.202   8.4356  1789.29  107.260  1928.94  140.631 -139.6460 176.8663 
1 1 1    7    5   22 o  1985.40   87.274   62.617   5.4256   61.198   6.6518   65.439   9.3783  1951.96  109.270  1996.13  151.166 -44.16553 186.5235 
1 1 1    7    5   24 o  1406.06   79.563   31.509   3.4886   30.901   4.2859   32.701   6.0053  1385.56   99.448  1408.25  137.960 -22.68542 170.0669 
1 1 1    7    5   26 o  1622.86  149.028   43.971   7.4884   43.971   7.4884   0.0000   0.0000  1622.86  149.028  ?   ?  0.000000 149.0282 
1 1 1    7    5   28 o  1280.49  103.549   26.696   4.1163   27.025   5.7840   26.358   5.8594  1263.27  149.097  1244.63  153.607 18.64490 214.0679 
1 1 1    7    5   30 o  742.506   87.660   9.0044   1.9988   9.1482   3.6097   8.9407   2.4003  714.934  164.646  732.291  107.916 -17.35687 196.8602 
1 1 1    7    5   32 o  1087.45   82.630   19.190   2.7926   22.759   4.9852   17.558   3.3712  1147.97  141.692  1028.20  106.240 119.7688 177.0975 
1 1 1    7    5   34 o  1284.15   83.206   26.734   3.3277   30.376   5.7002   24.851   4.0986  1330.22  138.900  1223.65  108.082 106.5673 175.9970 
1 1 1    7    5   36 o  1685.67   84.277   45.908   4.4483   51.841   7.6371   42.862   5.4724  1738.81  141.496  1608.83  109.279 129.9883 178.7818 
1 1 1    7    5   38 o  2035.62  120.855   69.719   7.6688   0.0000   0.0000   69.719   7.6688  ?   ?   2035.62  120.855 0.000000 120.8547 
1 1 1    7    5   42 o  1526.42   94.892   38.739   4.5130   38.451   7.6496   38.893   5.5893  1427.03  174.852  1504.04  119.671 -77.01208 211.8830 
1 1 1    7    5   44 o  974.764  102.837   16.197   3.0914   14.810   5.3294   16.900   3.7952  835.913  205.142  975.762  127.244 -139.8492 241.4008 
1 1 1    7    5   46 o  1649.35  143.100   51.570   7.3172   57.961   9.6780   43.041   11.180  1642.53  191.783  1184.81  300.810 457.7163 356.7449 
1 1 1    7    5   48 o  465.217  206.216   6.6040   5.9679   6.6040   5.9679   0.0000   0.0000  465.217  206.216  ?   ?  0.000000 206.2160 
1 1 1    7    5   56 o  ?   ?    14.515   8.5824   14.515   8.5824   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7    6    1 o  3355.08  132.883  177.353   13.960  190.568   19.775  164.223   19.711  3463.41  182.992  3210.63  197.016 252.7817 268.8889 
1 1 1    7    6    3 o  5320.28  150.092  447.145   25.004  460.040   30.632  421.395   43.285  5385.30  181.654  5106.65  271.676 278.6470 326.8117 
1 1 1    7    6    5 o  3418.72   96.336  183.754   10.313  186.466   14.587  181.043   14.582  3436.83  135.545  3386.06  137.532 50.76294 193.0995 
1 1 1    7    6    7 o  661.813   67.501   6.9447   1.3792   7.3074   1.9495   6.5812   1.9516  675.092   94.839  638.987  100.888 36.10461 138.4659 
1 1 1    7    6    9 o  458.708   82.687   3.4084   1.1440   1.3903   1.9743   4.4283   1.4036  349.040  131.943  523.452   88.808 -174.4118 159.0464 
1 1 1    7    6   11 o  956.575   75.744   14.468   2.2502   10.830   3.8826   16.308   2.7612  811.756  158.438  1014.34   87.801 -202.5817 181.1400 
1 1 1    7    6   13 o  2286.77   90.811   82.347   6.5024   81.406   7.9685   84.223   11.249  2270.23  112.096  2294.26  157.545 -24.02930 193.3545 
1 1 1    7    6   15 o  2540.17  116.982  102.142   9.3046   99.903   13.173  104.372   13.145  2491.72  169.844  2548.75  165.606 -57.02661 237.2180 
1 1 1    7    6   17 o  2108.41  107.538   70.580   7.0760   64.411   9.9985   76.769   10.015  1996.49  161.316  2186.19  147.163 -189.6962 218.3575 
1 1 1    7    6   19 o  2319.63   92.326   85.202   6.7060   83.425   8.2210   88.734   11.593  2285.40  115.252  2336.42  159.411 -51.02100 196.7104 
1 1 1    7    6   21 o  3195.32   93.048  162.299   9.3097  153.150   13.156  171.475   13.176  3077.31  136.533  3261.80  129.004 -184.4902 187.8383 
1 1 1    7    6   23 o  880.411   64.868   12.311   1.7757   10.241   2.4628   14.553   2.5625  793.934  101.382  952.564   86.867 -158.6299 133.5070 
1 1 1    7    6   25 o  501.478   85.002   4.1122   1.2871   3.4544   1.6025   5.3076   2.1603  453.904  113.150  560.971  126.057 -107.0674 169.3909 
1 1 1    7    6   27 o  1322.68  100.478   28.336   4.1303   26.484   5.9518   30.058   5.7365  1250.17  155.394  1342.98  138.396 -92.80981 208.0882 
1 1 1    7    6   29 o  492.404   98.573   4.0550   1.4668   3.7449   2.8396   4.1678   1.7131  475.724  160.615  495.616  112.906 -19.89191 196.3282 
1 1 1    7    6   31 o  1129.90  108.345   21.143   3.7862   23.996   5.2895   18.144   5.4221  1179.09  146.420  1000.55  179.668 178.5384 231.7746 
1 1 1    7    6   33 o  1109.26  108.070   20.403   3.7060   15.714   5.1728   25.349   5.3122  924.176  185.204  1213.83  142.475 -289.6575 233.6651 
1 1 1    7    6   35 o  1023.08  195.710   19.398   6.0412   0.0000   0.0000   19.398   6.0412  ?   ?   1023.08  195.710 0.000000 195.7104 
1 1 1    7    6   37 o  1555.70  112.502   40.219   5.4433   35.288   7.3730   46.126   8.0702  1405.39  171.074  1618.99  161.341 -213.6017 235.1533 
1 1 1    7    6   39 o  976.840  141.888   16.725   4.2130   22.559   5.4703   8.2178   6.6052  1121.07  160.405  640.302  241.505 480.7682 289.9217 
1 1 1    7    6   41 o  1498.28  129.694   38.860   6.0246   39.239   8.0527   38.379   9.0795  1441.95  182.431  1379.95  217.314 62.00330 283.7361 
1 1 1    7    6   43 o  1062.13  159.882   20.925   5.1525   24.330   6.6188   15.688   8.2087  1101.91  199.161  780.360  272.745 321.5495 337.7204 
1 1 1    7    6   45 o  1949.08  243.022   89.419   14.509   0.0000   0.0000   89.419   14.509  ?   ?   1949.08  243.022 0.000000 243.0216 
1 1 1    7    6   47 o  391.828  191.387  -2.4208   7.7350   0.0000   0.0000  -2.4208   7.7350  ?   ?   391.828  191.387 0.000000 191.3865 
1 1 1    7    6   51 o  408.189  195.307   10.673   7.0786   10.673   7.0786   0.0000   0.0000  408.189  195.307  ?   ?  0.000000 195.3068 
1 1 1    7    6   53 o  348.648  173.659   11.240   7.5480   11.240   7.5480   0.0000   0.0000  348.648  173.659  ?   ?  0.000000 173.6588 
1 1 1    7    6   57 o  571.349  204.568   24.080   4.6410   24.820   9.3233   23.836   5.3510  ?   ?   430.963  192.871 0.000000 192.8711 
1 1 1    7    7    0 o  3310.21  133.066  172.815   13.792  189.899   19.514  155.761   19.497  3454.73  181.021  3122.10  200.495 332.6287 270.1235 
1 1 1    7    7    2 o  4014.69  152.286  254.949   19.144  253.577   27.073  256.321   27.074  3976.94  218.241  3998.97  217.026 -22.03906 307.7815 
1 1 1    7    7    4 o  5403.43  277.207  475.314   46.744   0.0000   0.0000  475.314   46.744  ?   ?   5403.43  277.207 0.000000 277.2071 
1 1 1    7    7    6 o  2480.53   93.756   96.790   7.2821   98.396   8.9242   93.590   12.598  2498.18  114.085  2421.25  167.186 76.93726 202.4018 
1 1 1    7    7    8 o  2634.48  118.688  109.559   9.7908  109.559   9.7908   0.0000   0.0000  2634.48  118.688  ?   ?  0.000000 118.6879 
1 1 1    7    7   10 o  780.257   97.865   9.7359   2.3384   9.7359   2.3384   0.0000   0.0000  780.257   97.865  ?   ?  0.000000 97.86476 
1 1 1    7    7   12 o  1633.08  100.993   42.202   5.1390   42.202   5.1390   0.0000   0.0000  1633.08  100.993  ?   ?  0.000000 100.9933 
1 1 1    7    7   14 o  523.198  142.853   4.4941   2.4061   4.4941   2.4061   0.0000   0.0000  523.198  142.853  ?   ?  0.000000 142.8534 
1 1 1    7    7   16 o  903.291   78.537   12.945   2.1993   12.546   2.6816   13.767   3.8437  885.768   98.344  919.821  137.688 -34.05316 169.2021 
1 1 1    7    7   18 o  1260.98   97.229   25.336   3.8094   26.519   5.3377   24.109   5.4383  1280.13  135.210  1216.75  145.635 63.37915 198.7238 
1 1 1    7    7   20 o  609.137   77.352   5.9577   1.4421   5.8134   1.7080   6.3160   2.6916  598.024   94.338  613.193  142.839 -15.16858 171.1795 
1 1 1    7    7   22 o  1306.12   81.810   27.172   3.3290   26.498   4.0083   28.671   5.9766  1284.20  100.482  1317.47  147.401 -33.27332 178.3924 
1 1 1    7    7   24 o  2420.39   95.408   93.630   7.2308   92.387   8.8042   96.206   12.675  2391.66  117.564  2396.04  170.040 -4.380371 206.7237 
1 1 1    7    7   26 o  1824.32   87.500   53.165   4.9984   52.387   6.0548   54.831   8.8565  1798.66  108.007  1806.86  158.130 -8.206787 191.4953 
1 1 1    7    7   28 o  347.221  122.434   1.7815   1.6563  -0.9049   2.0870   6.3530   2.7225  264.204  119.160  605.375  145.439 -341.1714 188.0203 
1 1 1    7    7   30 o  536.639  177.350   5.0254   3.4649   0.0000   0.0000   5.0254   3.4649  ?   ?   536.639  177.350 0.000000 177.3504 
1 1 1    7    7   32 o  1266.44  110.858   26.545   4.3519   34.729   6.0926   18.020   6.2182  1429.62  137.809  975.822  209.749 453.7941 250.9702 
1 1 1    7    7   34 o  2210.28  116.782   80.785   8.0538   97.069   11.433   64.743   11.347  2377.07  154.438  1891.99  194.296 485.0826 248.1973 
1 1 1    7    7   36 o  815.870  201.655   12.563   5.1222   12.563   5.1222   0.0000   0.0000  815.870  201.655  ?   ?  0.000000 201.6549 
1 1 1    7    7   38 o  2815.07  139.501  135.415   12.297  158.256   17.214  111.614   17.572  2941.58  187.867  2364.58  240.681 576.9929 305.3217 
1 1 1    7    7   42 o  696.885  258.191   11.282   7.4828   0.0000   0.0000   11.282   7.4828  ?   ?   696.885  258.191 0.000000 258.1911 
1 1 1    7    7   44 o  2932.62  267.271  206.081   24.273   0.0000   0.0000  206.081   24.273  ?   ?   2932.62  267.271 0.000000 267.2714 
1 1 1    7    7   46 o  2599.36  154.114  132.816   12.488  135.466   17.086  129.777   18.296  2325.49  238.004  2134.28  280.571 191.2148 367.9211 
1 1 1    7    7   48 o  465.755  196.818   6.4191   4.9360   4.2124   6.0958   10.621   8.4117  420.558  194.844  491.748  228.199 -71.19009 300.0653 
1 1 1    7    7   50 o  397.378  188.934   6.3471   6.4099   6.3471   6.4099   0.0000   0.0000  397.378  188.934  ?   ?  0.000000 188.9339 
1 1 1    7    7   52 f  301.378  151.574  -0.5044   6.4465  -0.5044   6.4465   0.0000   0.0000  301.378  151.574  ?   ?  0.000000 151.5741 
1 1 1    7    7   54 o  340.220  170.929   14.968   8.0792   14.968   8.0792   0.0000   0.0000  340.220  170.929  ?   ?  0.000000 170.9286 
1 1 1    7    8    1 o  2361.40  161.556   88.822   11.874   88.822   11.874   0.0000   0.0000  2361.40  161.556  ?   ?  0.000000 161.5561 
1 1 1    7    8    3 o  2430.90  163.759   94.203   12.392   94.203   12.392   0.0000   0.0000  2430.90  163.759  ?   ?  0.000000 163.7590 
1 1 1    7    8    7 o  2079.35  154.626   68.974   9.9957   68.974   9.9957   0.0000   0.0000  2079.35  154.626  ?   ?  0.000000 154.6265 
1 1 1    7    8    9 o  1625.80  143.870   42.214   7.2485   0.0000   0.0000   42.214   7.2485  ?   ?   1625.80  143.870 0.000000 143.8703 
1 1 1    7    8   11 o  1432.48   79.603   32.360   3.5565   31.401   4.3532   34.286   6.1674  1408.17   99.365  1464.79  136.017 -56.62305 168.4455 
1 1 1    7    8   13 o  756.283   97.573   9.1662   2.2567   10.094   3.2085   8.2584   3.1748  786.795  135.102  707.610  148.042 79.18494 200.4215 
1 1 1    7    8   15 o  1629.06  102.089   42.117   5.1813   45.644   7.2925   38.521   7.3628  1686.64  139.328  1544.17  154.344 142.4690 207.9286 
1 1 1    7    8   17 o  204.176   81.739   0.3175   0.7929   0.7119   0.9326  -0.7105   1.5059  243.801   90.987  226.437  101.757 17.36453 136.5030 
1 1 1    7    8   19 o  211.027   87.119   0.2058   0.9338   0.7535   1.1021  -1.1889   1.7586  258.741   98.392  233.220  106.812 25.52132 145.2227 
1 1 1    7    8   21 o  907.884   78.938   13.152   2.2217   12.939   2.6299   13.683   4.1519  896.663   95.122  904.562  151.975 -7.898865 179.2894 
1 1 1    7    8   23 o  438.799   96.225   3.1891   1.2857   3.7387   1.4506   1.1751   2.7768  475.001  100.655  376.567  152.184 98.43372 182.4595 
1 1 1    7    8   25 f  1167.48   98.880   21.994   3.5808   21.994   3.5808   0.0000   0.0000  1167.48   98.880  ?   ?  0.000000 98.88026 
1 1 1    7    8   27 o  1172.33   83.292   22.062   3.0376   21.896   3.6152   22.462   5.6023  1161.46  100.393  1146.43  160.459 15.02539 189.2773 
1 1 1    7    8   29 o  422.108  131.101   2.9778   1.9149   0.3849   2.4283   7.2415   3.1140  325.423  137.812  640.829  156.531 -315.4057 208.5519 
1 1 1    7    8   31 o  956.746  122.374   15.345   3.5821   20.246   5.1790   10.851   4.9598  1079.04  157.959  760.201  204.077 318.8340 258.0667 
1 1 1    7    8   33 o  2197.98  177.585   84.716   12.118   84.716   12.118   0.0000   0.0000  2197.98  177.585  ?   ?  0.000000 177.5851 
1 1 1    7    8   35 o  2186.69  174.951   83.833   11.879   0.0000   0.0000   83.833   11.879  ?   ?   2186.69  174.951 0.000000 174.9505 
1 1 1    7    8   37 f  1805.97  188.790   59.112   10.518   0.0000   0.0000   59.112   10.518  ?   ?   1805.97  188.790 0.000000 188.7898 
1 1 1    7    8   39 o  939.095  233.980   18.019   6.8551   0.0000   0.0000   18.019   6.8551  ?   ?   939.095  233.980 0.000000 233.9801 
1 1 1    7    8   41 o  1427.59  138.755   35.518   6.1242   42.995   8.0602   25.304   9.4198  1533.32  170.780  1039.78  282.136 493.5413 329.7981 
1 1 1    7    8   43 o  983.077  175.230   18.410   5.1962   16.477   6.5441   21.708   8.5482  862.051  235.682  939.701  273.787 -77.65045 361.2551 
1 1 1    7    8   45 o  1489.20  150.329   41.951   6.9140   44.434   8.9407   38.255   10.905  1436.03  204.621  1141.95  300.795 294.0767 363.7955 
1 1 1    7    8   47 o  632.383  224.206   12.088   5.5617   16.618   6.5213   0.0012   10.651  716.511  243.395  431.404  213.393 285.1072 323.6936 
1 1 1    7    8   49 o  998.953  223.193   30.412   6.8055   22.566   8.2616   46.975   12.003  628.856  259.320  765.416  313.744 -136.5596 407.0411 
1 1 1    7    8   51 o  312.658  156.088  -1.0472   6.2445  -1.0472   6.2445   0.0000   0.0000  312.658  156.088  ?   ?  0.000000 156.0876 
1 1 1    7    8   53 o  ?   ?   -3.9905   6.5687  -3.9905   6.5687   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7    8   55 o  ?   ?    1.5908   7.7668   1.5908   7.7668   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7    9    0 o  766.014  141.449   9.5680   3.2678   9.5680   3.2678   0.0000   0.0000  766.014  141.449  ?   ?  0.000000 141.4493 
1 1 1    7    9    2 o  4079.64  222.131  267.969   28.269  267.969   28.269   0.0000   0.0000  4079.64  222.131  ?   ?  0.000000 222.1307 
1 1 1    7    9    4 o  3848.68  148.367  234.623   17.880  233.719   25.288  235.526   25.284  3812.57  212.674  3827.74  211.779 -15.17432 300.1339 
1 1 1    7    9    6 o  858.894   96.906   11.755   2.5606   12.338   3.6563   11.194   3.5873  872.702  138.420  829.415  143.311 43.28760 199.2434 
1 1 1    7    9    8 o  4821.04  175.494  370.572   26.492  373.398   37.464  367.745   37.468  4788.87  250.710  4750.88  252.775 37.98828 356.0209 
1 1 1    7    9   10 o  1896.91  105.195   56.917   6.2237   56.615   8.7972   57.220   8.8062  1881.84  150.556  1892.11  149.862 -10.27332 212.4284 
1 1 1    7    9   14 o  1046.81   97.215   17.455   3.1501   16.122   4.4464   18.797   4.4636  994.530  147.229  1078.45  135.150 -83.91638 199.8547 
1 1 1    7    9   16 o  1632.75   83.054   42.192   4.2322   44.323   5.1775   37.903   7.3467  1669.71   99.481  1526.40  155.900 143.3134 184.9359 
1 1 1    7    9   18 o  1083.70   75.507   18.632   2.5462   15.602   3.0657   25.370   4.5715  985.863  100.726  1254.78  117.728 -268.9141 154.9375 
1 1 1    7    9   20 o  898.558   81.955   12.893   2.2805   12.093   2.7096   14.838   4.2231  865.283  101.964  945.582  147.439 -80.29944 179.2619 
1 1 1    7    9   22 o  330.580  109.695   1.6719   1.3251   1.6719   1.3251   0.0000   0.0000  330.580  109.695  ?   ?  0.000000 109.6952 
1 1 1    7    9   24 o  905.394   84.567   13.149   2.3697   12.807   2.7715   14.079   4.5698  888.813  101.397  908.230  166.837 -19.41754 195.2328 
1 1 1    7    9   26 o  1212.78  140.597   24.531   5.2402   24.531   5.2402   0.0000   0.0000  1212.78  140.597  ?   ?  0.000000 140.5969 
1 1 1    7    9   28 o  1103.02   90.766   19.682   3.1071   23.090   3.7356   12.032   5.5969  1190.79  101.142  801.802  217.440 388.9841 239.8122 
1 1 1    7    9   30 o  909.301  182.672   14.816   5.0206   0.0000   0.0000   14.816   5.0206  ?   ?   909.301  182.672 0.000000 182.6716 
1 1 1    7    9   32 o  641.828  185.911   7.4163   3.9518   0.0000   0.0000   7.4163   3.9518  ?   ?   641.828  185.911 0.000000 185.9106 
1 1 1    7    9   34 o  677.745  183.347   8.2996   3.9852   0.0000   0.0000   8.2996   3.9852  ?   ?   677.745  183.347 0.000000 183.3474 
1 1 1    7    9   36 o  2093.01  115.247   72.245   7.5239   96.607   10.828   49.504   10.462  2385.93  145.637  1640.84  208.317 745.0898 254.1769 
1 1 1    7    9   38 o  2054.46  127.356   71.006   8.1525   79.004   11.282   62.266   11.794  2108.36  172.397  1818.85  211.003 289.5127 272.4761 
1 1 1    7    9   40 o  1186.12  146.433   24.612   5.3231   26.166   6.9801   22.452   8.2292  1177.59  196.204  1024.39  256.988 153.2021 323.3243 
1 1 1    7    9   42 o  805.211  205.117   13.021   5.1860   15.062   6.2257   8.3942   9.3735  843.222  229.604  641.273  271.119 201.9490 355.2794 
1 1 1    7    9   44 o  2620.35  154.464  127.380   12.618  138.940   16.997  113.189   18.832  2562.80  213.755  2089.77  296.079 473.0334 365.1770 
1 1 1    7    9   46 o  682.316  247.189   14.458   6.7996   14.458   6.7996   0.0000   0.0000  682.316  247.189  ?   ?  0.000000 247.1895 
1 1 1    7    9   48 o  343.739  167.795  -1.9442   5.9199  -1.9442   5.9199   0.0000   0.0000  343.739  167.795  ?   ?  0.000000 167.7949 
1 1 1    7    9   50 o  329.189  163.393  -1.2235   6.4496  -1.2235   6.4496   0.0000   0.0000  329.189  163.393  ?   ?  0.000000 163.3934 
1 1 1    7    9   52 o  303.037  152.983  -1.4271   6.9199  -1.4271   6.9199   0.0000   0.0000  303.037  152.983  ?   ?  0.000000 152.9827 
1 1 1    7    9   54 o  319.118  161.445   9.1417   8.0061   9.1417   8.0061   0.0000   0.0000  319.118  161.445  ?   ?  0.000000 161.4448 
1 1 1    7   10    1 o  2274.16  159.633   82.420   11.295   0.0000   0.0000   82.420   11.295  ?   ?   2274.16  159.633 0.000000 159.6333 
1 1 1    7   10    3 o  895.552  139.709   12.979   3.7898   0.0000   0.0000   12.979   3.7898  ?   ?   895.552  139.709 0.000000 139.7088 
1 1 1    7   10    5 o  728.579   99.186   8.5079   2.2040   7.8934   3.1144   9.1243   3.1194  692.950  148.032  747.873  138.300 -54.92328 202.5839 
1 1 1    7   10    7 o  4395.79  163.485  307.396   22.503  303.726   31.818  311.067   31.829  4326.89  235.733  4380.85  232.867 -53.95508 331.3561 
1 1 1    7   10    9 o  1976.38  106.684   61.799   6.5777   58.624   9.2984   64.980   9.3062  1913.22  156.585  2017.11  148.383 -103.8910 215.7228 
1 1 1    7   10   11 o  2099.65  156.597   70.727   10.221   0.0000   0.0000   70.727   10.221  ?   ?   2099.65  156.597 0.000000 156.5972 
1 1 1    7   10   13 o  1288.91  141.828   26.818   5.6293   26.818   5.6293   0.0000   0.0000  1288.91  141.828  ?   ?  0.000000 141.8284 
1 1 1    7   10   15 o  1297.60   99.317   26.825   4.0047   23.238   5.6715   30.392   5.6556  1191.84  155.692  1372.62  133.265 -180.7760 204.9375 
1 1 1    7   10   17 o  938.817  101.229   14.159   2.9287   12.460   4.0144   16.092   4.2822  865.698  153.725  990.211  142.189 -124.5123 209.4023 
1 1 1    7   10   19 o  415.961  124.820   2.8119   1.7554   1.7367   2.2518   4.4776   2.8027  375.420  141.132  521.226  158.015 -145.8062 211.8651 
1 1 1    7   10   21 o  1318.35   84.166   27.672   3.4563   28.024   4.1919   26.922   6.1083  1321.63  102.086  1274.93  156.281 46.69873 186.6690 
1 1 1    7   10   23 o  2517.92  121.662  102.348   9.5921  106.344   13.389   98.134   13.748  2525.67  170.298  2414.36  183.225 111.3115 250.1453 
1 1 1    7   10   25 o  986.625  102.093   15.793   3.1084   15.311   4.0788   16.460   4.8008  956.899  140.295  983.141  161.562 -26.24255 213.9743 
1 1 1    7   10   27 f  421.039  135.176   2.8929   2.0203   2.8929   2.0203   0.0000   0.0000  421.039  135.176  ?   ?  0.000000 135.1757 
1 1 1    7   10   29 o  431.646  127.456   3.1292   1.8416   3.8145   2.1352   1.1389   3.6388  473.517  136.512  409.418  170.735 64.09964 218.5997 
1 1 1    7   10   31 o  957.306  108.858   15.037   3.2051   16.038   4.0832   13.430   5.1731  976.438  137.345  862.675  195.967 113.7635 239.3046 
1 1 1    7   10   33 f  876.098  131.142   12.888   3.4870   14.264   5.1537   11.725   4.7354  892.342  190.260  807.103  190.447 85.23871 269.2003 
1 1 1    7   10   35 o  1711.48  113.549   48.070   6.0506   59.274   8.7845   37.957   8.3460  1868.85  151.417  1464.83  186.164 404.0260 239.9672 
1 1 1    7   10   37 o  1057.71  149.002   19.314   4.7981   19.566   6.3301   18.973   7.3558  1025.09  204.383  977.641  241.666 47.44733 316.5042 
1 1 1    7   10   39 o  1494.20  125.653   37.616   5.8243   45.317   8.2160   29.838   8.2579  1599.97  166.431  1244.82  219.899 355.1510 275.7800 
1 1 1    7   10   41 o  1537.31  194.056   44.393   9.1331   44.393   9.1331   0.0000   0.0000  1537.31  194.056  ?   ?  0.000000 194.0562 
1 1 1    7   10   43 o  2159.88  205.132   93.594   13.707   93.594   13.707   0.0000   0.0000  2159.88  205.132  ?   ?  0.000000 205.1319 
1 1 1    7   10   47 o  414.960  206.359  -1.6237   10.484   0.0000   0.0000  -1.6237   10.484  ?   ?   414.960  206.359 0.000000 206.3594 
1 1 1    7   10   49 o  681.777  249.089   20.292   6.9255   21.448   8.2278   17.481   12.827  614.953  256.616  460.009  228.681 154.9442 343.7243 
1 1 1    7   10   51 o  335.444  167.407   0.8871   7.1578   0.8871   7.1578   0.0000   0.0000  335.444  167.407  ?   ?  0.000000 167.4066 
1 1 1    7   10   53 o  490.906  237.027   42.969   10.997   42.969   10.997   0.0000   0.0000  490.906  237.027  ?   ?  0.000000 237.0267 
1 1 1    7   10   55 o  ?   ?    10.413   9.0976   10.413   9.0976   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7   11    0 o  2342.17  113.081   86.474   8.2932   85.128   11.742   87.814   11.715  2309.83  163.400  2346.97  160.371 -37.13477 228.9507 
1 1 1    7   11    2 o  5201.80  186.282  431.744   30.342  427.635   42.905  435.855   42.915  5119.23  268.599  5170.34  265.978 -51.11035 378.0071 
1 1 1    7   11    4 o  4173.45  156.074  276.564   20.396  254.118   28.826  299.066   28.862  3960.16  233.495  4313.61  213.685 -353.4541 316.5146 
1 1 1    7   11    6 o  1826.03  104.578   52.733   5.9546   53.079   8.4100   52.384   8.4323  1822.81  148.640  1810.39  150.104 12.41443 211.2460 
1 1 1    7   11    8 o  2553.58  169.146  104.613   13.448  104.613   13.448   0.0000   0.0000  2553.58  169.146  ?   ?  0.000000 169.1463 
1 1 1    7   11   10 o  4081.35  155.889  266.159   19.922  274.466   28.174  257.852   28.175  4098.36  220.349  3966.35  227.812 132.0066 316.9419 
1 1 1    7   11   12 o  1686.31  102.990   45.163   5.4121   47.083   7.6582   43.247   7.6495  1710.44  144.338  1636.71  150.960 73.72522 208.8598 
1 1 1    7   11   14 o  1277.37   99.172   25.998   3.9355   29.031   5.5946   23.028   5.5373  1340.71  135.106  1187.37  152.455 153.3444 203.7058 
1 1 1    7   11   16 o  1489.15  105.809   35.430   4.9016   33.059   6.9792   37.738   6.8857  1420.08  159.727  1523.64  146.119 -103.5581 216.4801 
1 1 1    7   11   18 o  1001.66  111.323   16.192   3.4325   19.562   4.9925   13.172   4.7271  1089.87  150.292  882.154  177.282 207.7155 232.4149 
1 1 1    7   11   22 o  1186.94  158.396   23.482   5.7401   0.0000   0.0000   23.482   5.7401  ?   ?   1186.94  158.396 0.000000 158.3965 
1 1 1    7   11   24 o  393.789  159.680   1.3027   3.0682   0.0000   0.0000   1.3027   3.0682  ?   ?   393.789  159.680 0.000000 159.6801 
1 1 1    7   11   26 o  977.538   86.316   15.376   2.6149   14.730   3.1230   16.891   4.7829  949.864  106.855  995.184  158.826 -45.32019 191.4256 
1 1 1    7   11   28 o  1163.90  140.745   22.670   5.0252   22.670   5.0252   0.0000   0.0000  1163.90  140.745  ?   ?  0.000000 140.7451 
1 1 1    7   11   30 o  1486.98   91.347   35.535   4.2326   38.224   5.0965   29.558   7.5986  1535.33  106.674  1299.70  192.537 235.6334 220.1131 
1 1 1    7   11   32 o  1277.77   91.707   26.288   3.6448   25.976   4.2104   27.219   7.2808  1263.72  107.421  1245.21  192.975 18.50427 220.8584 
1 1 1    7   11   34 o  729.785  106.186   8.7870   2.3553   10.169   2.5572   1.0546   6.0488  785.855  106.677  495.813  213.895 290.0423 239.0213 
1 1 1    7   11   36 o  2218.53  184.258   86.677   12.684   86.677   12.684   0.0000   0.0000  2218.53  184.258  ?   ?  0.000000 184.2582 
1 1 1    7   11   38 o  2144.85  186.246   82.325   12.384   82.325   12.384   0.0000   0.0000  2144.85  186.246  ?   ?  0.000000 186.2458 
1 1 1    7   11   40 o  1546.48  192.314   44.023   9.1116   44.023   9.1116   0.0000   0.0000  1546.48  192.314  ?   ?  0.000000 192.3144 
1 1 1    7   11   42 o  1596.17  152.984   45.520   7.5525   47.577   9.5613   42.107   12.316  1568.54  199.162  1313.61  305.234 254.9277 364.4629 
1 1 1    7   11   44 o  2202.66  147.823   90.164   10.136   81.149   13.117  103.529   15.971  1910.63  223.472  2086.23  249.424 -175.5972 334.8910 
1 1 1    7   11   46 o  510.575  213.196   6.9671   5.6842   9.7773   6.6177  -0.9397   11.100  560.811  231.752  444.796  219.615 116.0152 319.2799 
1 1 1    7   11   48 o  1178.90  235.684   40.918   8.3960   58.790   10.211   3.6037   14.754  1400.94  241.483  429.260  217.383 971.6836 324.9145 
1 1 1    7   11   50 o  429.192  199.767   8.2836   6.5230   8.1169   7.3972   8.8668   13.832  417.390  199.695  ?   ?  0.000000 199.6949 
1 1 1    7   11   52 o  338.384  169.596   3.3689   7.7118   3.3689   7.7118   0.0000   0.0000  338.384  169.596  ?   ?  0.000000 169.5965 
1 1 1    7   11   54 o  ?   ?   -7.7367   7.9491  -7.7367   7.9491   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7   12    1 o  2853.49  178.114  130.406   15.835   0.0000   0.0000  130.406   15.835  ?   ?   2853.49  178.114 0.000000 178.1141 
1 1 1    7   12    3 o  2850.46  124.203  128.473   11.086  132.494   15.676  124.451   15.679  2875.86  174.909  2784.72  180.794 91.13965 251.5544 
1 1 1    7   12    5 o  2790.04  176.780  125.029   15.364   0.0000   0.0000  125.029   15.364  ?   ?   2790.04  176.780 0.000000 176.7798 
1 1 1    7   12    7 o  1586.40  101.698   39.883   5.0251   39.790   7.1133   39.976   7.0999  1574.57  145.934  1578.43  145.283 -3.853271 205.9214 
1 1 1    7   12    9 o  922.235  100.419   13.593   2.8530   12.172   4.0102   15.049   4.0596  860.078  154.589  962.665  138.679 -102.5870 207.6767 
1 1 1    7   12   11 o  1829.01  105.195   53.151   5.9992   58.103   8.6429   48.546   8.3338  1899.94  146.408  1732.73  155.247 167.2173 213.3938 
1 1 1    7   12   13 o  1462.03  105.391   34.079   4.7924   32.364   6.9417   35.641   6.6244  1408.03  160.307  1483.90  144.399 -75.87122 215.7527 
1 1 1    7   12   15 o  913.760  159.053   13.860   4.3855   0.0000   0.0000   13.860   4.3855  ?   ?   913.760  159.053 0.000000 159.0529 
1 1 1    7   12   17 o  413.450  158.047   1.9859   2.8529   0.0000   0.0000   1.9859   2.8529  ?   ?   413.450  158.047 0.000000 158.0466 
1 1 1    7   12   21 o  1009.35  167.306   17.143   5.1025   0.0000   0.0000   17.143   5.1025  ?   ?   1009.35  167.306 0.000000 167.3063 
1 1 1    7   12   23 o  545.409  153.188   5.0425   2.7240   2.9818   3.9875   6.8457   3.7300  485.799  186.576  630.024  180.069 -144.2245 259.2978 
1 1 1    7   12   25 o  587.892  127.731   5.8286   2.2841   6.9439   2.8166   3.6862   3.9037  638.106  144.341  504.872  186.597 133.2341 235.9085 
1 1 1    7   12   27 o  1961.33  117.111   62.520   7.1594   78.022   10.017   46.330   10.237  2168.31  148.428  1626.54  205.580 541.7689 253.5627 
1 1 1    7   12   29 o  1583.24  107.135   40.512   5.2800   40.512   5.2800   0.0000   0.0000  1583.24  107.135  ?   ?  0.000000 107.1353 
1 1 1    7   12   31 o  2026.53  115.567   66.640   7.3030   66.640   7.3030   0.0000   0.0000  2026.53  115.567  ?   ?  0.000000 115.5672 
1 1 1    7   12   33 o  1126.01   99.505   20.538   3.4722   20.538   3.4722   0.0000   0.0000  1126.01   99.505  ?   ?  0.000000 99.50488 
1 1 1    7   12   35 o  934.933  142.403   14.821   4.0372   14.821   4.0372   0.0000   0.0000  934.933  142.403  ?   ?  0.000000 142.4033 
1 1 1    7   12   37 o  945.405  267.232   18.213   8.2622   0.0000   0.0000   18.213   8.2622  ?   ?   945.405  267.232 0.000000 267.2324 
1 1 1    7   12   39 o  1046.89  155.256   19.093   4.9352   26.499   6.7740   10.715   7.2046  1213.02  184.132  731.351  255.527 481.6656 314.9578 
1 1 1    7   12   41 o  1200.45  167.971   26.054   6.1410   26.231   7.8066   25.766   9.9462  1146.47  225.495  1050.10  291.936 96.37793 368.8830 
1 1 1    7   12   43 o  409.367  184.141   0.3259   4.9454  -0.2765   5.5445   2.6703   10.937  416.067  190.222  544.991  255.305 -128.9243 318.3788 
1 1 1    7   12   45 o  1212.07  203.434   32.958   7.4474   33.588   8.9953   31.585   13.279  1107.50  263.260  785.461  326.733 322.0395 419.5956 
1 1 1    7   12   47 o  505.382  218.644   8.1786   6.3566   3.9361   7.3304   21.041   12.764  438.937  206.689  566.573  268.565 -127.6362 338.8914 
1 1 1    7   12   49 o  453.113  207.913   8.1548   6.7066   8.3974   7.7445   7.4273   13.411  445.703  210.653  420.654  212.434 25.04919 299.1699 
1 1 1    7   12   51 o  307.097  154.019  -3.4999   6.4134  -7.7936   7.3509   10.187   13.124  296.621  150.548  ?   ?  0.000000 150.5476 
1 1 1    7   12   53 o  317.853  161.124   2.0834   8.2432   2.0834   8.2432   0.0000   0.0000  317.853  161.124  ?   ?  0.000000 161.1239 
1 1 1    7   13    0 o  4054.86  151.669  261.651   19.257  225.614   27.204  297.845   27.263  3716.94  234.949  4299.08  202.527 -582.1423 310.1908 
1 1 1    7   13    2 o  1509.16  144.406   36.528   6.7407   36.528   6.7407   0.0000   0.0000  1509.16  144.406  ?   ?  0.000000 144.4062 
1 1 1    7   13    4 o  2610.90  173.834  109.764   14.130  109.764   14.130   0.0000   0.0000  2610.90  173.834  ?   ?  0.000000 173.8341 
1 1 1    7   13    6 o  1191.99  102.776   22.612   3.7985   23.327   5.6259   22.013   5.1495  1199.26  153.327  1166.89  143.990 32.36719 210.3379 
1 1 1    7   13    8 o  1341.10  102.726   28.607   4.2810   29.816   6.2807   27.558   5.8506  1357.54  150.275  1305.85  145.561 51.69104 209.2143 
1 1 1    7   13   10 o  3632.04  210.115  216.864   23.794   0.0000   0.0000  216.864   23.794  ?   ?   3632.04  210.115 0.000000 210.1151 
1 1 1    7   13   12 o  653.405  165.316   7.1565   3.3849   0.0000   0.0000   7.1565   3.3849  ?   ?   653.405  165.316 0.000000 165.3161 
1 1 1    7   13   14 o  2603.37  176.024  110.622   14.265   0.0000   0.0000  110.622   14.265  ?   ?   2603.37  176.024 0.000000 176.0243 
1 1 1    7   13   16 o  1986.98  112.161   63.051   6.9498   66.008   9.8415   60.109   9.8157  2014.46  157.268  1918.18  165.030 96.27759 227.9657 
1 1 1    7   13   18 o  1139.82  112.275   20.915   3.9552   16.792   5.6968   24.753   5.4954  994.612  189.847  1230.16  145.485 -235.5442 239.1812 
1 1 1    7   13   20 o  1472.24  110.385   34.838   5.0517   33.937   7.1635   35.729   7.1249  1431.68  162.682  1472.06  156.997 -40.37317 226.0831 
1 1 1    7   13   22 o  732.013  198.973   9.3756   4.6802   0.0000   0.0000   9.3756   4.6802  ?   ?   732.013  198.973 0.000000 198.9734 
1 1 1    7   13   24 o  732.347  151.355   9.1089   3.3561   10.865   4.8396   7.4817   4.6580  785.305  197.115  657.518  204.513 127.7879 284.0421 
1 1 1    7   13   28 o  1331.43  114.762   28.730   4.7377   28.730   4.7377   0.0000   0.0000  1331.43  114.762  ?   ?  0.000000 114.7623 
1 1 1    7   13   30 o  2271.47  126.541   83.896   8.9646   83.896   8.9646   0.0000   0.0000  2271.47  126.541  ?   ?  0.000000 126.5415 
1 1 1    7   13   32 f  1237.56  134.329   25.299   5.1218   27.982   6.9361   22.081   7.5954  1278.33  178.122  1104.32  227.232 174.0089 288.7245 
1 1 1    7   13   34 o  1211.15  116.138   24.026   4.3504   23.741   5.2004   24.691   7.9402  1191.07  142.255  1161.75  226.411 29.31213 267.3917 
1 1 1    7   13   36 o  2645.08  105.746  113.382   8.7583  120.547   10.448   96.450   16.062  2711.13  123.080  2298.63  226.076 412.4995 257.4085 
1 1 1    7   13   38 f  1290.18   97.363   27.073   3.9044   29.355   4.3819   18.280   8.6009  1339.55  105.317  940.617  274.795 398.9333 294.2856 
1 1 1    7   13   40 o  1857.06  138.160   58.830   7.9764   68.743   10.788   46.874   11.847  1956.77  178.014  1513.17  259.374 443.6056 314.5851 
1 1 1    7   13   42 o  1190.15  186.421   27.325   6.7192   17.659   8.1383   48.022   11.909  845.731  271.279  1439.56  274.204 -593.8328 385.7199 
1 1 1    7   13   44 o  828.830  241.343   17.402   6.6440   23.247   7.9121   3.4227   12.235  935.628  260.474  526.928  253.336 408.6995 363.3534 
1 1 1    7   13   46 o  536.799  226.111   8.5922   6.4810   13.793   7.5615  -5.8050   12.581  624.056  251.506  430.578  215.917 193.4782 331.4746 
1 1 1    7   13   48 o  443.686  205.508   5.7093   6.7752   5.4068   7.8248   6.6155   13.542  439.052  208.748  446.175  223.776 -7.122589 306.0250 
1 1 1    7   13   50 o  325.372  162.233  -3.3779   6.6592  -5.8248   7.5308   5.3957   14.260  322.215  162.283  ?   ?  0.000000 162.2828 
1 1 1    7   13   52 o  487.875  233.007   27.058   9.9784   27.058   9.9784   0.0000   0.0000  487.875  233.007  ?   ?  0.000000 233.0074 
1 1 1    7   14    1 o  1496.81  153.424   36.124   7.0892   36.124   7.0892   0.0000   0.0000  1496.81  153.424  ?   ?  0.000000 153.4241 
1 1 1    7   14    3 o  2194.48  108.619   76.179   7.4637   87.454   10.699   65.489   10.418  2337.00  146.951  2014.38  166.658 322.6237 222.1927 
1 1 1    7   14    5 o  3192.97  192.464  165.628   19.153   0.0000   0.0000  165.628   19.153  ?   ?   3192.97  192.464 0.000000 192.4639 
1 1 1    7   14    7 o  2110.86  158.612   71.852   10.407   0.0000   0.0000   71.852   10.407  ?   ?   2110.86  158.612 0.000000 158.6123 
1 1 1    7   14    9 o  1905.11  155.155   58.593   9.1752   0.0000   0.0000   58.593   9.1752  ?   ?   1905.11  155.155 0.000000 155.1553 
1 1 1    7   14   11 o  476.199  142.403   3.6744   2.2878   2.2589   3.4163   4.8253   3.0805  448.900  172.627  544.905  165.763 -96.00479 239.3272 
1 1 1    7   14   13 o  1120.65  111.725   20.137   3.8682   17.616   5.5829   22.464   5.3645  1028.07  179.984  1173.99  149.309 -145.9193 233.8533 
1 1 1    7   14   15 o  739.313  189.569   9.2815   4.4093   9.2815   4.4093   0.0000   0.0000  739.313  189.569  ?   ?  0.000000 189.5693 
1 1 1    7   14   17 o  1307.98  114.588   27.488   4.6457   22.627   6.3381   33.131   6.8295  1163.72  179.726  1422.39  155.892 -258.6622 237.9159 
1 1 1    7   14   19 o  783.122  146.440   10.235   3.4589   6.7009   4.7843   14.105   5.0066  637.154  208.295  910.209  182.024 -273.0552 276.6216 
1 1 1    7   14   21 o  1028.32  127.382   17.292   4.0138   17.292   4.0138   0.0000   0.0000  1028.32  127.382  ?   ?  0.000000 127.3816 
1 1 1    7   14   23 o  1621.97  166.868   43.806   8.3540   43.806   8.3540   0.0000   0.0000  1621.97  166.868  ?   ?  0.000000 166.8681 
1 1 1    7   14   25 o  1338.15  174.862   30.077   7.1517   30.077   7.1517   0.0000   0.0000  1338.15  174.862  ?   ?  0.000000 174.8624 
1 1 1    7   14   27 o  580.232  171.505   5.6766   3.3329   5.9190   4.8051   5.4518   4.6269  607.264  208.877  588.174  204.816 19.08972 292.5393 
1 1 1    7   14   29 o  511.007  181.275   3.9274   3.6362   2.3233   5.1600   5.5096   5.1249  507.691  206.628  598.088  214.881 -90.39606 298.1090 
1 1 1    7   14   31 o  521.935  154.635   4.5783   2.7070   5.7538   3.0238  -0.1651   6.0743  580.466  160.823  482.959  211.269 97.50739 265.5162 
1 1 1    7   14   33 o  672.678  195.180   7.9734   4.3523   9.0661   5.5789   6.2744   6.9569  712.364  224.188  644.651  246.714 67.71283 333.3586 
1 1 1    7   14   35 o  1886.96  103.615   57.560   6.0987   62.755   7.0999   42.938   11.911  1962.74  116.040  1508.56  261.649 454.1805 286.2266 
1 1 1    7   14   37 o  504.240  129.608   4.3442   2.0576   4.4331   2.1304   3.1080   7.9402  508.935  132.416  584.593  248.460 -75.65823 281.5435 
1 1 1    7   14   39 o  547.335  127.216   5.1691   2.1389   5.1691   2.1389   0.0000   0.0000  547.335  127.216  ?   ?  0.000000 127.2164 
1 1 1    7   14   41 o  665.980  137.140   7.8901   2.7646   8.4487   2.8700   0.7031   10.294  689.364  137.778  547.916  253.620 141.4480 288.6274 
1 1 1    7   14   43 o  275.400  138.009 -11.3906   5.0982 -11.0237   5.7263 -12.7931   11.196  301.010  150.143  425.819  212.000 -124.8090 259.7824 
1 1 1    7   14   45 o  377.853  181.091  -2.4501   6.1421  -3.0801   7.0820  -0.5381   12.338  391.892  189.466  476.469  234.541 -84.57727 301.5078 
1 1 1    7   14   47 o  480.296  216.127   6.6340   6.8201   6.0957   7.9356   8.1552   13.340  470.801  219.536  483.404  239.061 -12.60349 324.5707 
1 1 1    7   14   49 o  449.872  226.663   12.746   14.768   0.0000   0.0000   12.746   14.768  ?   ?   449.872  226.663 0.000000 226.6635 
1 1 1    7   14   51 o  ?   ?   -4.9405   16.246   0.0000   0.0000  -4.9405   16.246  ?   ?   ?   ?  0.000000      ? 
1 1 1    7   15    0 o  1527.62  146.452   37.547   6.9194   0.0000   0.0000   37.547   6.9194  ?   ?   1527.62  146.452 0.000000 146.4516 
1 1 1    7   15    2 o  3342.32  197.781  181.579   20.607   0.0000   0.0000  181.579   20.607  ?   ?   3342.32  197.781 0.000000 197.7815 
1 1 1    7   15    4 o  1376.07  145.971   30.540   6.1936   0.0000   0.0000   30.540   6.1936  ?   ?   1376.07  145.971 0.000000 145.9709 
1 1 1    7   15    6 o  3890.81  147.374  241.846   17.955  277.203   25.469  206.913   25.315  4133.30  196.787  3542.52  229.452 590.7866 302.2808 
1 1 1    7   15    8 o  1053.91  110.902   17.786   3.6049   18.063   5.3688   17.558   4.8646  1047.27  169.514  1036.41  154.630 10.86121 229.4454 
1 1 1    7   15   10 o  594.419  143.203   5.8700   2.6338   6.8767   3.9715   5.0796   3.5190  643.719  186.350  563.104  178.150 80.61548 257.8051 
1 1 1    7   15   12 o  2047.24  114.988   66.788   7.3413   60.157   10.213   73.876   10.560  1921.98  171.509  2136.86  158.957 -214.8870 233.8431 
1 1 1    7   15   14 o  702.607  156.885   8.2592   3.3642   13.506   4.4398   1.1842   5.1555  901.438  163.307  487.259  203.213 414.1795 260.7008 
1 1 1    7   15   16 o  1555.79  161.513   39.648   7.7535   39.648   7.7535   0.0000   0.0000  1555.79  161.513  ?   ?  0.000000 161.5128 
1 1 1    7   15   18 o  1642.43  110.975   43.235   5.6738   43.235   5.6738   0.0000   0.0000  1642.43  110.975  ?   ?  0.000000 110.9752 
1 1 1    7   15   20 o  1958.70  116.913   61.645   7.1377   61.645   7.1377   0.0000   0.0000  1958.70  116.913  ?   ?  0.000000 116.9126 
1 1 1    7   15   22 o  1845.28  116.185   54.722   6.6789   73.380   9.4759   36.302   9.4153  2124.17  143.304  1456.54  212.712 667.6373 256.4814 
1 1 1    7   15   24 o  1908.08  169.055   60.045   9.9959   0.0000   0.0000   60.045   9.9959  ?   ?   1908.08  169.055 0.000000 169.0548 
1 1 1    7   15   26 o  835.852  142.114   11.583   3.5863   11.070   4.7228   12.281   5.5119  802.228  190.794  839.982  210.098 -37.75452 283.8025 
1 1 1    7   15   28 o  1886.35   99.436   56.829   5.8526   63.499   7.0599   42.174   10.465  1988.29  113.871  1564.91  219.605 423.3816 247.3719 
1 1 1    7   15   32 o  856.436  183.811   12.732   4.7818   13.610   6.2357   11.478   7.4501  868.420  226.838  796.289  259.908 72.13171 344.9751 
1 1 1    7   15   34 o  1330.36  114.356   28.780   4.7174   36.336   5.3595   2.7939   9.9392  1495.38  115.352  638.336  274.784 857.0432 298.0143 
1 1 1    7   15   36 o  2502.31  124.467  102.255   9.7524  118.932   11.662   63.461   17.786  2681.67  139.361  1746.99  337.362 934.6779 365.0133 
1 1 1    7   15   38 o  740.070  218.945   10.351   5.4297   17.881   7.0427  -0.6833   8.5255  962.444  235.595  531.703  240.227 430.7416 336.4734 
1 1 1    7   15   40 o  982.446  112.539   16.236   3.3996   18.892   3.6633  -0.2414   9.1247  1060.85  111.973  526.963  242.063 533.8838 266.7066 
1 1 1    7   15   42 o  783.397  130.636   10.941   3.0917   11.211   3.1946   6.9615   12.281  790.888  133.766  604.378  278.789 186.5105 309.2200 
1 1 1    7   15   44 o  1154.52  227.957   30.942   7.9484   39.886   9.4894   9.9149   14.550  1281.40  245.439  578.717  277.719 702.6827 370.6325 
1 1 1    7   15   46 o  515.007  250.746   8.2994   12.978   0.0000   0.0000   8.2994   12.978  ?   ?   515.007  250.746 0.000000 250.7457 
1 1 1    7   15   48 o  ?   ?  -26.0813   14.504   0.0000   0.0000 -26.0813   14.504  ?   ?   ?   ?  0.000000      ? 
1 1 1    7   15   50 o  417.103  201.422   6.1729   7.9487   5.9104   9.0332   7.0734   16.731  412.829  202.712  ?   ?  0.000000 202.7120 
1 1 1    7   16    1 o  1054.78  169.314   18.259   5.4029   18.259   5.4029   0.0000   0.0000  1054.78  169.314  ?   ?  0.000000 169.3136 
1 1 1    7   16    3 o  683.253  128.188   7.6464   2.6418   6.3118   4.2759   8.4704   3.3597  625.867  196.154  714.885  154.589 -89.01788 249.7480 
1 1 1    7   16    5 o  835.101  189.956   11.697   4.8551   0.0000   0.0000   11.697   4.8551  ?   ?   835.101  189.956 0.000000 189.9556 
1 1 1    7   16    7 o  456.828  160.797   2.9711   2.8557   1.7151   3.7082   4.8014   4.4765  444.047  177.111  573.161  201.353 -129.1142 268.1630 
1 1 1    7   16    9 o  1338.97  115.372   28.647   4.7899   24.970   6.5878   32.770   6.9769  1232.73  175.635  1420.42  159.630 -187.6876 237.3382 
1 1 1    7   16   11 o  1485.71  161.865   35.927   7.4083   35.927   7.4083   0.0000   0.0000  1485.71  161.865  ?   ?  0.000000 161.8647 
1 1 1    7   16   13 o  1913.00  161.770   59.491   9.5993   59.491   9.5993   0.0000   0.0000  1913.00  161.770  ?   ?  0.000000 161.7701 
1 1 1    7   16   15 o  1270.17  111.034   25.860   4.3717   25.860   4.3717   0.0000   0.0000  1270.17  111.034  ?   ?  0.000000 111.0339 
1 1 1    7   16   17 o  223.092  105.114  -2.0600   1.9011  -3.4852   2.1164   3.8945   4.3259  212.124  102.810  533.150  196.549 -321.0267 221.8137 
1 1 1    7   16   19 o  817.872  119.033   10.896   2.9589   13.736   3.7156   5.9720   4.8922  916.099  133.450  616.097  210.806 300.0026 249.4954 
1 1 1    7   16   21 o  832.478  122.841   11.303   3.1059   11.138   3.8099   11.629   5.3627  817.492  154.497  821.589  208.198 -4.096252 259.2600 
1 1 1    7   16   23 o  577.951  149.765   5.5914   2.7324   7.0384   3.3745   2.8362   4.6564  646.138  165.926  510.793  200.108 135.3446 259.9514 
1 1 1    7   16   25 o  836.856  122.147   11.418   3.1064   14.320   3.7167   4.6928   5.6582  936.721  130.238  593.045  223.562 343.6767 258.7311 
1 1 1    7   16   27 o  871.241  124.820   12.401   3.3079   14.421   3.9260   7.4588   6.1415  936.760  137.979  681.642  236.047 255.1176 273.4162 
1 1 1    7   16   29 o  745.977  181.435   9.5557   4.1973   19.840   5.2767  -8.1607   6.9258  1091.94  158.997  406.424  194.111 685.5170 250.9166 
1 1 1    7   16   31 o  643.648  177.863   7.1052   3.7039   7.1052   3.7039   0.0000   0.0000  643.648  177.863  ?   ?  0.000000 177.8630 
1 1 1    7   16   33 o  1812.67  137.496   53.780   7.7460   64.449   10.457   40.805   11.531  1962.00  171.943  1501.60  254.321 460.4058 306.9912 
1 1 1    7   16   35 o  1378.37  159.894   31.956   6.7729   41.759   8.7645   17.426   10.671  1562.13  182.629  936.047  311.327 626.0823 360.9399 
1 1 1    7   16   37 o  339.968  161.909  -5.1063   4.7472  -5.8168   5.8660  -3.7579   8.0814  379.844  180.639  483.896  224.243 -104.0515 287.9506 
1 1 1    7   16   39 o  872.348  141.468   13.222   3.7319   15.285   4.0675   2.2434   9.3829  938.150  142.985  573.853  256.210 364.2970 293.4075 
1 1 1    7   16   41 o  639.454  277.699   8.7328   10.332   0.0000   0.0000   8.7328   10.332  ?   ?   639.454  277.699 0.000000 277.6990 
1 1 1    7   16   43 o  275.519  114.961   0.5577   1.6511   0.6810   1.6639  -7.3475   13.319  281.534  116.264  485.421  239.837 -203.8861 266.5316 
1 1 1    7   16   45 f  387.944  134.066   2.7585   1.9806   2.7925   2.0023   1.2109   13.497  389.891  134.794  500.012  245.973 -110.1210 280.4854 
1 1 1    7   16   47 o  426.626  203.460   1.5086   7.5507   14.880   8.8589 -34.0036   14.437  598.977  258.626  ?   ?  0.000000 258.6263 
1 1 1    7   16   49 o  411.475  199.036   2.8896   7.8396   1.7684   9.1206   6.0612   15.340  408.727  201.285  440.139  222.757 -31.41205 300.2272 
1 1 1    7   17    0 o  2483.81  120.595   97.785   9.3792  100.514   13.225   95.024   13.304  2497.81  170.100  2425.78  176.359 72.02881 245.0231 
1 1 1    7   17    2 o  377.837  148.054   1.3760   2.5494   0.6310   3.6732   2.0684   3.5412  410.525  171.397  448.992  174.890 -38.46628 244.8746 
1 1 1    7   17    4 o  1206.31  117.905   23.277   4.3966   18.440   6.0241   28.791   6.4314  1053.81  189.532  1332.84  157.122 -279.0380 246.1899 
1 1 1    7   17    6 o  351.076  155.956  -1.1414   3.4312  -1.1414   3.4312   0.0000   0.0000  351.076  155.956  ?   ?  0.000000 155.9558 
1 1 1    7   17    8 o  1452.31  162.581   34.284   7.2666   34.284   7.2666   0.0000   0.0000  1452.31  162.581  ?   ?  0.000000 162.5807 
1 1 1    7   17   10 o  863.815  127.634   12.130   3.3483   12.130   3.3483   0.0000   0.0000  863.815  127.634  ?   ?  0.000000 127.6344 
1 1 1    7   17   12 o  1465.28  114.223   34.320   5.1993   32.855   6.8770   36.275   7.9437  1420.47  157.252  1487.27  173.856 -66.80188 234.4231 
1 1 1    7   17   14 o  537.961  139.009   4.8095   2.3584   2.8300   2.6413   12.594   5.2381  442.111  154.702  860.553  198.446 -418.4426 251.6216 
1 1 1    7   17   16 o  1322.81  116.626   28.059   4.7813   30.367   6.3195   24.969   7.3119  1366.31  150.191  1220.32  198.153 145.9943 248.6408 
1 1 1    7   17   18 o  604.631  153.678   6.1094   2.9157   8.8331   3.5950   0.8743   4.9841  726.116  162.209  473.173  198.744 252.9421 256.5365 
1 1 1    7   17   20 o  478.676  169.304   3.2861   3.1696   5.8964   4.5162   0.7523   4.4495  610.395  202.512  447.785  187.917 162.6092 276.2673 
1 1 1    7   17   22 o  1085.02  107.850   18.864   3.6156   22.983   4.4424   10.783   6.2226  1195.56  120.301  795.068  234.153 400.4940 263.2488 
1 1 1    7   17   24 o  1258.70  103.114   25.300   4.0284   28.456   4.8361   18.148   7.2804  1331.73  117.168  1023.92  232.395 307.8082 260.2615 
1 1 1    7   17   26 o  1100.21  113.115   19.482   3.8414   23.943   4.5745   8.8131   7.0742  1218.45  121.522  736.900  253.442 481.5538 281.0704 
1 1 1    7   17   28 o  1468.95  106.419   34.545   4.8617   37.598   5.7537   26.923   9.0906  1527.91  121.259  1239.14  242.975 288.7677 271.5522 
1 1 1    7   17   30 o  1464.73  110.611   34.469   5.0357   40.556   5.8866   17.859   9.7236  1586.22  119.393  983.428  293.468 602.7919 316.8253 
1 1 1    7   17   32 o  1011.20  239.959   18.327   7.4837   18.327   7.4837   0.0000   0.0000  1011.20  239.959  ?   ?  0.000000 239.9588 
1 1 1    7   17   34 o  1067.38  129.714   18.738   4.2462   22.266   4.7377   4.3315   9.5739  1163.60  132.388  661.630  276.513 501.9717 306.5718 
1 1 1    7   17   36 o  682.140  179.695   8.2498   3.8917   9.0866   4.3159   4.6096   9.0015  712.432  189.984  638.390  267.561 74.04138 328.1510 
1 1 1    7   17   38 o  548.759  247.923   0.2573   9.0794   0.0000   0.0000   0.2573   9.0794  ?   ?   548.759  247.923 0.000000 247.9228 
1 1 1    7   17   40 o  1080.43  307.949   29.188   10.925   0.0000   0.0000   29.188   10.925  ?   ?   1080.43  307.949 0.000000 307.9486 
1 1 1    7   17   42 o  548.486  228.428   5.6534   6.5014   4.6493   8.2841   7.2635   10.490  547.115  242.718  599.357  269.011 -52.24146 362.3244 
1 1 1    7   17   44 o  493.830  148.817   4.7216   2.4914   4.5551   2.5334   9.6139   13.736  484.674  150.838  586.045  278.031 -101.3705 316.3120 
1 1 1    7   17   46 o  364.325  178.733  -5.6057   6.9724 -10.2947   8.0364   8.6679   14.021  354.702  177.076  532.087  259.405 -177.3854 314.0811 
1 1 1    7   17   48 o  350.979  132.940   2.2447   2.0068   2.7272   2.0227 -28.1893   16.065  374.617  134.953  ?   ?  0.000000 134.9533 
1 1 1    7   18    1 o  538.963  192.335   4.0939   4.0992   4.0939   4.0992   0.0000   0.0000  538.963  192.335  ?   ?  0.000000 192.3346 
1 1 1    7   18    5 o  1616.33  159.970   42.269   7.9900   42.269   7.9900   0.0000   0.0000  1616.33  159.970  ?   ?  0.000000 159.9703 
1 1 1    7   18    7 o  1714.95  116.646   46.867   6.2266   46.122   8.6179   47.682   9.0064  1686.46  165.321  1713.26  170.135 -26.80029 237.2275 
1 1 1    7   18    9 o  909.093  119.197   13.339   3.3113   13.564   3.9753   12.830   5.9845  910.796  144.191  867.849  219.944 42.94690 262.9951 
1 1 1    7   18   11 o  622.531  156.978   6.4593   3.0593   8.3048   3.6016   1.6774   5.7976  704.722  165.958  525.339  216.990 179.3830 273.1790 
1 1 1    7   18   13 o  756.071  121.369   9.3034   2.7761   7.3077   3.1882   15.561   5.6456  662.015  156.307  962.643  193.999 -300.6279 249.1331 
1 1 1    7   18   15 o  571.816  163.013   5.3923   3.0609   8.9704   3.7744  -1.4817   5.2316  732.518  168.118  435.134  192.969 297.3835 255.9311 
1 1 1    7   18   17 o  802.189  133.284   10.511   3.2304   9.3723   3.9867   12.687   5.5124  748.301  173.519  865.627  206.297 -117.3260 269.5688 
1 1 1    7   18   19 o  956.760  146.207   14.950   4.2411   14.032   5.8989   15.932   6.1018  909.568  211.175  971.287  206.963 -61.71863 295.6837 
1 1 1    7   18   21 o  1323.81  101.283   27.888   4.1665   28.456   5.0502   26.678   7.3729  1332.41  122.416  1268.76  191.550 63.65405 227.3264 
1 1 1    7   18   23 o  578.288  159.216   5.5551   2.9743   3.3457   3.5159   11.116   5.5781  492.080  177.828  807.338  216.294 -315.2579 280.0105 
1 1 1    7   18   25 o  844.651  163.968   11.902   4.1803   14.284   5.5056   8.6580   6.4236  917.242  197.531  727.898  241.521 189.3438 312.0112 
1 1 1    7   18   27 o  680.248  192.090   7.8275   4.2713   9.1684   5.3910   5.5666   7.0005  734.273  218.378  649.830  247.773 84.44244 330.2735 
1 1 1    7   18   29 o  1107.28  126.800   19.888   4.3171   21.006   4.9749   16.478   8.6872  1133.05  143.435  958.326  275.084 174.7188 310.2336 
1 1 1    7   18   31 o  1144.72  152.149   21.624   5.3185   26.907   6.4480   10.378   9.4073  1273.26  165.652  797.784  290.485 475.4760 334.3984 
1 1 1    7   18   33 o  1591.98  162.733   42.141   7.9980   42.141   7.9980   0.0000   0.0000  1591.98  162.733  ?   ?  0.000000 162.7334 
1 1 1    7   18   35 o  2443.42  155.736   99.872   11.853  138.791   15.725   48.664   18.038  2856.04  176.706  1463.49  387.506 1392.543 425.8943 
1 1 1    7   18   37 o  1358.56  127.233   30.838   5.3494   37.489   6.0401   6.6427   11.520  1496.69  130.178  687.665  295.928 809.0302 323.2956 
1 1 1    7   18   39 o  1303.58  128.808   28.962   5.1889   29.373   5.7948   27.301   11.656  1299.24  144.908  1038.30  323.613 260.9459 354.5755 
1 1 1    7   18   41 o  488.954  223.749   0.3694   7.6949   0.3694   7.6949   0.0000   0.0000  488.954  223.749  ?   ?  0.000000 223.7487 
1 1 1    7   18   43 o  560.071  239.232   6.4346   7.4285   6.1513   8.5297   7.3243   15.115  561.110  247.735  600.576  286.816 -39.46631 378.9935 
1 1 1    7   18   45 o  432.186  210.020  -3.6045   8.9879  -3.6045   8.9879   0.0000   0.0000  432.186  210.020  ?   ?  0.000000 210.0205 
1 1 1    7   18   47 o  411.815  203.289  -4.1716   9.4941  -4.1716   9.4941   0.0000   0.0000  411.815  203.289  ?   ?  0.000000 203.2888 
1 1 1    7   19    0 o  541.726  177.037   4.5674   3.4562   4.5674   3.4562   0.0000   0.0000  541.726  177.037  ?   ?  0.000000 177.0372 
1 1 1    7   19    2 o  2298.99  125.013   84.102   8.9655   86.549   12.769   81.722   12.592  2313.66  177.605  2246.68  180.510 66.97925 253.2339 
1 1 1    7   19    4 o  965.463  116.926   14.974   3.4627   14.334   4.1015   16.561   6.4609  938.146  144.242  991.268  214.393 -53.12158 258.3992 
1 1 1    7   19    6 o  1333.61  124.775   28.458   5.1499   33.477   6.9937   22.513   7.6115  1438.72  157.836  1158.59  217.802 280.1216 268.9799 
1 1 1    7   19    8 o  445.939  170.752   2.2291   3.3335   0.4429   4.2727   5.0075   5.3289  434.354  183.310  602.190  218.727 -167.8358 285.3841 
1 1 1    7   19   10 o  648.584  174.213   6.9880   3.6132   11.484   4.5607  -0.5900   5.9211  829.703  180.668  483.849  210.173 345.8542 277.1526 
1 1 1    7   19   12 o  639.360  157.994   6.7867   3.1448   6.0453   3.8230   8.3383   5.5305  609.838  184.472  715.137  222.913 -105.2987 289.3444 
1 1 1    7   19   14 o  328.748  141.962  -0.2581   2.6697   2.1727   3.2680  -5.1355   4.6292  441.450  169.058  345.194  163.062 96.25592 234.8825 
1 1 1    7   19   16 o  283.140  129.573  -1.7438   2.5810  -0.9445   3.1055  -3.5288   4.6408  337.018  149.104  370.742  171.145 -33.72452 226.9857 
1 1 1    7   19   18 o  527.156  162.610   4.4536   2.9517   10.983   3.5289 -10.7536   5.3855  819.084  142.785  318.148  156.281 500.9357 211.6870 
1 1 1    7   19   20 o  520.253  162.342   4.3219   2.9324   5.0711   3.5613   2.7443   5.1676  564.393  179.287  530.938  209.923 33.45477 276.0645 
1 1 1    7   19   22 o  1640.94  122.586   43.023   6.2532   58.863   8.7505   26.492   8.9393  1912.91  147.221  1248.09  237.416 664.8232 279.3569 
1 1 1    7   19   24 o  475.370  168.690   3.2077   3.1491   4.0599   3.7398   1.1311   5.8380  526.066  184.084  513.705  215.398 12.36121 283.3429 
1 1 1    7   19   26 o  496.426  190.953   2.8419   4.1808   5.4646   5.2724  -1.6007   6.8619  610.609  218.102  498.904  221.137 111.7046 310.5963 
1 1 1    7   19   28 o  857.275  274.112   12.636   8.3142   0.0000   0.0000   12.636   8.3142  ?   ?   857.275  274.112 0.000000 274.1122 
1 1 1    7   19   30 o  1418.81  145.931   32.815   6.3908   48.615   8.2380   8.9361   10.128  1725.97  154.050  781.591  298.018 944.3762 335.4786 
1 1 1    7   19   32 o  1080.27  135.678   19.152   4.4882   22.566   5.0048   5.1313   10.143  1172.55  139.022  697.332  287.419 475.2146 319.2759 
1 1 1    7   19   34 o  635.252  175.141   7.0261   3.5962   7.1178   3.8916   6.4903   9.4095  638.471  184.362  690.384  279.745 -51.91284 335.0320 
1 1 1    7   19   36 o  919.800  150.523   14.532   4.1852   16.136   4.5758   6.3227   10.353  966.913  156.481  677.988  285.692 288.9245 325.7392 
1 1 1    7   19   38 o  979.718  152.755   16.806   4.5333   21.797   4.9760  -7.5590   10.995  1123.41  144.829  505.146  242.148 618.2601 282.1544 
1 1 1    7   19   40 o  440.945  180.823   2.3241   3.9893   2.3241   3.9893   0.0000   0.0000  440.945  180.823  ?   ?  0.000000 180.8230 
1 1 1    7   19   42 o  863.847  191.751   14.858   5.0514   14.858   5.0514   0.0000   0.0000  863.847  191.751  ?   ?  0.000000 191.7506 
1 1 1    7   19   44 o  611.391  264.076   9.9032   9.2425   9.9032   9.2425   0.0000   0.0000  611.391  264.076  ?   ?  0.000000 264.0763 
1 1 1    7   19   46 o  589.759  253.336   10.751   8.4149   6.4443   9.7172   23.667   16.827  526.263  244.573  638.942  304.442 -112.6795 390.5134 
1 1 1    7   20    1 o  639.772  193.055   6.6459   4.1907  -2.3419   6.4117   13.349   5.5371  473.991  211.697  893.435  202.592 -419.4440 293.0174 
1 1 1    7   20    3 o  1005.66  121.450   16.224   3.7470   17.944   4.4525   12.052   6.9365  1054.83  138.123  849.215  246.402 205.6133 282.4745 
1 1 1    7   20    5 o  1619.86  120.224   41.718   6.0545   37.568   8.2498   46.562   8.9133  1523.11  176.234  1699.54  169.762 -176.4359 244.6990 
1 1 1    7   20    7 f  727.385  153.947   8.7264   3.3970   10.181   4.0544   5.2984   6.2229  784.100  170.032  636.267  235.508 147.8333 290.4739 
1 1 1    7   20    9 o  240.067  116.416  -4.5710   2.7231  -4.4886   3.1386  -4.8218   5.4765  269.026  129.071  393.052  182.978 -124.0264 223.9206 
1 1 1    7   20   11 o  815.143  162.818   10.951   4.0103   9.9158   5.5052   12.122   5.8538  772.473  218.061  850.178  218.656 -77.70532 308.8051 
1 1 1    7   20   13 o  1195.48  130.048   22.896   4.7896   31.858   6.7742   13.938   6.7729  1406.30  156.492  909.248  235.875 497.0505 283.0662 
1 1 1    7   20   15 o  795.446  167.881   10.473   4.0501   10.503   5.5974   10.440   5.8675  792.851  218.468  791.569  225.707 1.281799 314.1210 
1 1 1    7   20   17 o  1225.29  134.604   24.106   5.0792   37.506   7.4553   12.499   6.9387  1525.39  158.395  861.843  245.344 663.5485 292.0326 
1 1 1    7   20   19 o  492.804  186.708   2.8770   3.9591   10.053   5.6314  -4.1367   5.5673  775.339  221.132  406.535  187.591 368.8037 289.9828 
1 1 1    7   20   21 o  1226.84  138.886   24.259   5.2414   36.746   7.2395   10.503   7.5983  1508.36  155.511  803.220  262.496 705.1412 305.1031 
1 1 1    7   20   23 o  833.230  176.520   11.589   4.4623   15.681   6.0490   6.7049   6.6093  964.362  206.547  679.323  244.030 285.0386 319.7066 
1 1 1    7   20   25 f  752.351  196.647   9.5471   4.6844   10.518   5.9322   7.9394   7.6346  788.750  227.583  730.407  262.288 58.34235 347.2591 
1 1 1    7   20   27 o  1064.59  169.667   18.731   5.4660   27.858   7.0896   5.3532   8.5828  1299.63  178.961  686.570  270.830 613.0573 324.6169 
1 1 1    7   20   29 o  1553.37  117.936   38.697   5.6936   47.808   6.5763   11.429   11.377  1725.94  122.482  854.633  318.019 871.3060 340.7901 
1 1 1    7   20   31 o  1096.53  135.023   19.684   4.5381   19.912   5.0667   18.760   10.204  1096.91  151.564  1002.48  300.964 94.43829 336.9732 
1 1 1    7   20   33 o  788.099  167.806   10.698   4.0140   12.178   4.4220   3.7669   9.5682  839.636  173.914  648.773  274.084 190.8632 324.6049 
1 1 1    7   20   35 o  364.905  159.036  -0.1444   3.4137   1.1368   3.6181 -10.5316   10.302  409.215  170.415  482.181  231.976 -72.96631 287.8442 
1 1 1    7   20   37 o  403.397  173.430   0.5764   3.9497   0.5764   3.9497   0.0000   0.0000  403.397  173.430  ?   ?  0.000000 173.4303 
1 1 1    7   20   39 o  374.543  166.911  -0.4646   3.9622  -0.4646   3.9622   0.0000   0.0000  374.543  166.911  ?   ?  0.000000 166.9111 
1 1 1    7   20   41 o  585.418  196.325   6.6678   4.2424   8.7243   4.5345  -7.7684   12.014  660.136  201.181  500.638  243.177 159.4986 315.6083 
1 1 1    7   20   43 o  729.941  260.595   13.426   7.5260   14.880   9.1698   10.424   13.173  733.713  282.640  642.700  293.593 91.01343 407.5314 
1 1 1    7   20   45 o  361.662  179.816 -11.1698   7.9424 -11.0582   9.0470 -11.5449   16.587  387.652  192.600  488.924  245.548 -101.2719 312.0709 
1 1 1    7   21    0 o  1259.53  110.869   25.199   4.3280   21.532   5.2111   33.353   7.7706  1156.70  147.214  1436.77  176.430 -280.0725 229.7815 
1 1 1    7   21    2 o  882.896  135.822   12.609   3.6346   11.805   4.3822   14.380   6.5057  846.712  171.174  927.122  226.122 -80.41003 283.6048 
1 1 1    7   21    4 o  1748.51  123.230   48.510   6.7037   45.204   9.0450   52.540   9.9856  1676.12  174.917  1807.28  178.800 -131.1533 250.1303 
1 1 1    7   21    6 o  1114.21  116.784   19.796   4.0139   15.115   4.8076   30.569   7.2926  962.091  165.558  1375.38  173.172 -413.2936 239.5782 
1 1 1    7   21    8 o  724.129  156.964   8.6394   3.4564   5.3095   4.1740   15.904   6.1651  588.888  194.656  978.205  207.697 -389.3163 284.6564 
1 1 1    7   21   10 o  916.298  170.657   13.781   4.7162   13.038   6.9085   14.431   6.4542  883.102  242.451  928.375  224.490 -45.27301 330.4217 
1 1 1    7   21   12 o  683.416  159.154   7.7175   3.3423   8.0073   4.2320   7.2372   5.4489  696.086  189.205  680.317  222.286 15.76904 291.9070 
1 1 1    7   21   14 o  1054.53  121.876   17.805   3.9502   14.070   4.8554   25.117   6.7937  924.607  174.093  1241.57  179.999 -316.9659 250.4157 
1 1 1    7   21   16 o  296.572  144.144  -7.2914   4.2387   0.0000   0.0000  -7.2914   4.2387  ?   ?   296.572  144.144 0.000000 144.1443 
1 1 1    7   21   20 o  650.355  231.113   6.0976   5.9129   0.0000   0.0000   6.0976   5.9129  ?   ?   650.355  231.113 0.000000 231.1127 
1 1 1    7   21   22 o  1396.01  112.823   31.027   4.8896   41.503   5.9526   9.2960   8.5735  1614.58  118.571  785.938  278.400 828.6474 302.5976 
1 1 1    7   21   24 o  1250.32  122.768   25.036   4.7444   24.359   5.5504   26.871   9.1421  1227.11  147.400  1259.41  240.600 -32.29553 282.1617 
1 1 1    7   21   26 f  1215.50  159.952   24.116   5.9400   25.843   7.7399   21.641   9.2651  1243.37  206.014  1114.19  268.690 129.1788 338.5794 
1 1 1    7   21   28 o  1313.04  161.896   28.266   6.5153   33.920   8.2818   19.084   10.554  1428.79  189.812  1030.05  305.367 398.7349 359.5522 
1 1 1    7   21   30 o  2028.52  115.298   66.054   7.2932   75.670   8.5352   40.035   14.040  2166.29  126.377  1462.02  315.909 704.2736 340.2491 
1 1 1    7   21   32 o  1540.38  141.188   39.040   6.7342   39.040   6.7342   0.0000   0.0000  1540.38  141.188  ?   ?  0.000000 141.1881 
1 1 1    7   21   34 o  889.180  179.933   13.859   4.8378   13.859   4.8378   0.0000   0.0000  889.180  179.933  ?   ?  0.000000 179.9330 
1 1 1    7   21   36 o  377.161  165.161  -0.1870   3.7209   1.2469   3.9555 -11.2084   10.966  423.906  177.498  489.645  236.486 -65.73880 295.6873 
1 1 1    7   21   38 o  706.807  256.272   9.9017   7.3106   16.231   9.4888   0.6574   11.467  853.197  293.521  598.510  273.608 254.6869 401.2676 
1 1 1    7   21   40 f  539.610  197.353   5.1379   4.3490   5.1732   4.6400   4.8826   12.478  544.000  202.963  637.667  289.133 -93.66724 353.2594 
1 1 1    7   21   42 o  407.155  195.507  -5.6558   7.2351 -12.7030   9.1764   5.9226   11.762  402.681  198.979  614.442  279.416 -211.7606 343.0248 
1 1 1    7   21   44 o  871.307  282.686   20.775   8.8181   27.323   10.950   8.6940   14.873  941.106  315.416  615.605  291.250 325.5009 429.3181 
1 1 1    7   22    1 o  942.536  140.859   14.343   4.0297   15.238   4.8147   12.248   7.3632  967.212  164.887  863.193  254.851 104.0190 303.5404 
1 1 1    7   22    3 o  617.573  193.955   6.0263   4.1781   0.6267   5.3212   14.707   6.7468  488.573  205.292  938.827  231.067 -450.2538 309.0905 
1 1 1    7   22    5 o  590.136  176.025   5.6058   3.4989   4.7644   4.1212   7.7778   6.6216  567.935  193.486  719.631  245.255 -151.6961 312.3890 
1 1 1    7   22    7 o  1260.20  112.803   25.222   4.4041   26.646   5.4238   22.464   7.5458  1291.53  136.168  1166.99  214.401 124.5431 253.9870 
1 1 1    7   22    9 o  1109.75  119.352   19.646   4.0821   20.348   5.1187   18.418   6.7661  1123.96  149.124  1054.28  212.303 69.68567 259.4425 
1 1 1    7   22   11 o  936.947  177.430   14.423   5.0149   18.878   7.6405   11.052   6.6470  1062.14  235.875  819.663  242.179 242.4778 338.0646 
1 1 1    7   22   13 o  918.278  233.262   14.130   6.7202   0.0000   0.0000   14.130   6.7202  ?   ?   918.278  233.262 0.000000 233.2615 
1 1 1    7   22   15 o  674.874  199.068   7.4279   4.4944   12.202   6.7568   3.6395   6.0191  855.681  241.591  587.131  228.202 268.5499 332.3291 
1 1 1    7   22   17 o  1061.48  160.377   18.311   5.1644   17.285   7.5057   19.234   7.1168  1012.81  240.293  1073.86  219.072 -61.05267 325.1667 
1 1 1    7   22   19 o  1089.41  132.609   19.068   4.4302   21.614   5.4020   13.837   7.7423  1156.33  152.950  907.580  259.438 248.7504 301.1673 
1 1 1    7   22   21 o  334.651  157.812  -4.6960   4.3021  -8.7696   5.6173   1.0832   6.6906  349.720  168.993  548.953  230.405 -199.2329 285.7362 
1 1 1    7   22   23 o  1107.98  174.520   20.138   5.8544   22.541   8.0110   17.385   8.5768  1157.04  229.223  1006.61  267.531 150.4276 352.3012 
1 1 1    7   22   25 o  756.118  187.184   9.6098   4.4081   6.2047   5.0162   21.157   9.2373  632.638  213.473  1103.42  269.642 -470.7794 343.9153 
1 1 1    7   22   27 o  364.718  167.582  -2.9542   4.3776  -2.9542   4.3776   0.0000   0.0000  364.718  167.582  ?   ?  0.000000 167.5819 
1 1 1    7   22   29 o  645.742  236.333   6.1901   6.2383   6.1901   6.2383   0.0000   0.0000  645.742  236.333  ?   ?  0.000000 236.3332 
1 1 1    7   22   31 o  1908.63  117.282   58.817   6.9753   66.483   8.0613   35.976   13.914  2023.94  127.859  1351.38  331.368 672.5542 355.1796 
1 1 1    7   22   33 o  698.643  192.772   8.6197   4.3546   9.8159   4.7231   1.8379   11.246  742.887  199.029  651.246  286.110 91.64056 348.5280 
1 1 1    7   22   35 o  296.464  142.584  -5.1731   3.8844  -5.1731   3.8844   0.0000   0.0000  296.464  142.584  ?   ?  0.000000 142.5841 
1 1 1    7   22   37 o  1034.38  165.410   18.707   5.1769   21.912   5.6529   2.0425   12.890  1120.38  166.173  650.993  294.637 469.3815 338.2668 
1 1 1    7   22   39 o  527.601  201.527   4.4174   4.6363   4.1196   4.9609   6.4723   13.030  525.033  206.286  681.923  303.374 -156.8898 366.8648 
1 1 1    7   22   41 o  816.179  272.644   15.374   8.1815   17.374   10.460   12.223   13.131  826.017  305.414  723.275  313.579 102.7424 437.7321 
1 1 1    7   23    0 o  904.093  150.980   13.264   4.1234   14.370   4.9100   10.618   7.5953  937.393  173.674  818.325  262.028 119.0681 314.3585 
1 1 1    7   23    2 o  374.552  168.594  -2.0356   4.1537   5.5318   5.3074 -13.9968   6.6726  624.016  219.244  350.092  172.362 273.9233 278.8848 
1 1 1    7   23    4 o  1524.56  108.500   36.765   5.1457   33.953   6.2224   42.850   9.1522  1460.06  137.730  1632.50  182.147 -172.4425 228.3577 
1 1 1    7   23    6 o  478.918  195.401   1.4126   4.6290  -4.4729   7.2499   5.4634   6.0146  478.648  218.321  639.430  232.356 -160.7816 318.8316 
1 1 1    7   23    8 o  1200.68  154.095   23.185   5.6597   24.974   8.5865   21.811   7.5260  1228.62  231.688  1149.76  217.001 78.86414 317.4412 
1 1 1    7   23   10 o  372.904  169.695  -2.6480   4.3480   5.8749   6.7249  -8.7701   5.6995  668.271  245.257  354.923  171.188 313.3486 299.0927 
1 1 1    7   23   12 o  859.179  191.011   12.219   5.0057   15.080   7.3799   9.7804   6.8123  949.376  246.186  782.500  247.902 166.8760 349.3746 
1 1 1    7   23   14 o  1271.45  116.798   25.702   4.5980   26.631   5.7023   23.975   7.7742  1289.50  143.666  1206.33  213.633 83.17566 257.4472 
1 1 1    7   23   16 o  423.376  180.277   0.0665   4.1945   5.7875   5.8360  -6.0466   6.0327  643.060  229.489  403.046  189.064 240.0144 297.3388 
1 1 1    7   23   18 o  624.753  183.800   6.3424   3.8359   6.9312   4.7299   5.2111   6.5564  658.976  206.268  644.224  241.085 14.75201 317.2832 
1 1 1    7   23   20 o  952.553  154.517   14.783   4.4508   20.011   5.4317   4.0962   7.7651  1110.12  160.953  649.169  257.120 460.9520 303.3422 
1 1 1    7   23   22 o  439.046  189.161  -0.2554   4.7185  -0.2554   4.7185   0.0000   0.0000  439.046  189.161  ?   ?  0.000000 189.1612 
1 1 1    7   23   24 o  1590.64  212.955   41.968   10.340   41.968   10.340   0.0000   0.0000  1590.64  212.955  ?   ?  0.000000 212.9549 
1 1 1    7   23   26 o  798.091  296.770   9.4460   9.9039   0.0000   0.0000   9.4460   9.9039  ?   ?   798.091  296.770 0.000000 296.7697 
1 1 1    7   23   28 o  956.512  225.540   15.972   6.6452   22.570   8.5184   5.7142   10.621  1131.07  247.407  727.343  296.282 403.7251 385.9964 
1 1 1    7   23   30 f  705.436  195.356   8.6069   4.4630   9.7805   4.9336   3.3213   10.470  749.123  204.565  673.957  285.826 75.16595 351.4875 
1 1 1    7   23   32 o  380.112  169.874  -1.2386   4.1355  -1.5923   4.4565   0.9547   11.098  388.443  174.759  643.201  283.349 -254.7576 332.9069 
1 1 1    7   23   34 o  389.731  173.880  -1.0642   4.3134  -2.2346   4.6406   6.3671   11.693  382.472  174.538  720.296  303.578 -337.8236 350.1757 
1 1 1    7   23   36 o  1065.54  191.760   20.212   6.1628   20.212   6.1628   0.0000   0.0000  1065.54  191.760  ?   ?  0.000000 191.7605 
1 1 1    7   23   38 o  889.000  193.550   14.486   5.2350   6.7807   5.6717   58.822   13.605  620.012  225.584  1728.56  259.360 -1108.553 343.7382 
1 1 1    7   23   40 o  623.067  215.025   7.3414   5.0942   7.1907   5.4833   8.2920   13.768  619.268  222.292  702.362  312.184 -83.09418 383.2399 
1 1 1    7   24    1 o  654.524  250.453   4.8132   7.1687   0.0000   0.0000   4.8132   7.1687  ?   ?   654.524  250.453 0.000000 250.4533 
1 1 1    7   24    3 o  238.620  120.330 -13.6520   4.2139 -12.6664   6.6130 -14.3258   5.4676  358.965  175.678  294.185  146.735 64.77975 228.8966 
1 1 1    7   24    5 o  1576.10  136.435   39.473   6.6669   49.572   10.137   31.774   8.8505  1757.42  187.081  1397.76  208.604 359.6615 280.2049 
1 1 1    7   24    7 o  1090.83  128.411   19.011   4.3021   23.721   5.4210   10.998   7.0707  1217.19  145.093  824.613  251.200 392.5804 290.0919 
1 1 1    7   24    9 o  773.108  167.082   9.8262   3.9267   8.1715   4.9447   12.651   6.4610  709.696  208.649  873.576  232.211 -163.8793 312.1804 
1 1 1    7   24   11 o  1049.80  136.572   17.681   4.3831   13.885   5.4965   24.310   7.2637  916.922  197.293  1221.16  196.637 -304.2408 278.5513 
1 1 1    7   24   13 o  540.769  186.257   4.2423   3.8214   6.4476   4.7532   0.2122   6.4257  643.379  207.421  524.866  223.304 118.5132 304.7757 
1 1 1    7   24   15 o  651.477  188.751   6.9070   4.0730   9.3327   5.0544   2.4149   6.8783  752.360  207.720  587.550  238.783 164.8101 316.4883 
1 1 1    7   24   17 o  717.010  213.774   8.3704   5.1613   8.3704   5.1613   0.0000   0.0000  717.010  213.774  ?   ?  0.000000 213.7738 
1 1 1    7   24   19 o  668.915  217.706   7.0206   5.2285   7.0206   5.2285   0.0000   0.0000  668.915  217.706  ?   ?  0.000000 217.7059 
1 1 1    7   24   21 o  615.188  204.756   5.8489   4.6154   3.7241   5.3167   12.348   9.2981  564.905  215.801  873.662  290.613 -308.7576 361.9750 
1 1 1    7   24   23 o  914.936  180.718   13.950   4.9937   11.330   5.7147   22.414   10.270  817.721  218.864  1131.04  288.943 -313.3185 362.4769 
1 1 1    7   24   25 o  419.094  184.071  -0.8864   4.6522  -4.2097   5.2487   11.293   10.048  387.907  180.099  842.780  301.080 -454.8735 350.8340 
1 1 1    7   24   27 o  715.696  239.768   8.4009   6.3275   9.7452   8.0757   6.2633   10.183  774.169  270.531  731.999  292.974 42.17053 398.7739 
1 1 1    7   24   29 o  501.714  217.208   0.0840   6.2822   8.6570   7.7743 -16.0477   10.664  735.592  264.619  468.775  228.025 266.8174 349.3118 
1 1 1    7   24   31 o  706.185  250.768   8.1995   6.9602   11.239   8.7556   2.9815   11.472  802.733  281.623  686.965  295.466 115.7679 408.1806 
1 1 1    7   24   33 o  731.396  254.785   9.3113   7.1603   8.8289   9.0847   10.103   11.634  739.331  282.172  793.843  314.628 -54.51202 422.6252 
1 1 1    7   24   35 o  535.332  202.974   4.0855   4.6813   2.5491   5.0098   14.659   13.142  500.971  203.712  867.930  337.242 -366.9584 393.9932 
1 1 1    7   24   37 o  426.723  190.116  -0.7625   5.1369  -0.7625   5.1369   0.0000   0.0000  426.723  190.116  ?   ?  0.000000 190.1158 
1 1 1    7   25    0 o  419.752  181.616  -0.5427   4.3868  -9.4590   6.2305   8.2232   6.1777  373.093  179.715  728.631  236.619 -355.5374 297.1300 
1 1 1    7   25    2 o  532.620  187.940   3.9380   3.9035   3.0761   5.0851   5.1746   6.0909  544.005  210.220  635.011  233.355 -91.00592 314.0810 
1 1 1    7   25    4 f  540.310  189.005   4.1153   3.9423   3.5055   5.0385   5.0780   6.3305  554.857  210.529  638.804  237.319 -83.94617 317.2430 
1 1 1    7   25    6 o  859.313  171.893   12.092   4.4636   14.106   5.5743   8.4913   7.4518  925.395  198.337  757.992  260.153 167.4031 327.1344 
1 1 1    7   25    8 o  520.331  207.721   2.2095   5.1049   0.0001   7.6030   4.0233   6.8886  566.494  242.002  627.404  244.054 -60.91022 343.6964 
1 1 1    7   25   10 o  708.527  190.467   8.2461   4.3168   8.3673   5.4279   8.0376   7.1207  722.111  220.119  738.355  254.256 -16.24359 336.3007 
1 1 1    7   25   12 o  1521.91  146.905   36.936   6.9137   36.936   6.9137   0.0000   0.0000  1521.91  146.905  ?   ?  0.000000 146.9050 
1 1 1    7   25   14 o  1219.00  168.987   24.017   6.2767   24.017   6.2767   0.0000   0.0000  1219.00  168.987  ?   ?  0.000000 168.9874 
1 1 1    7   25   16 o  1367.35  159.057   30.071   6.6828   30.071   6.6828   0.0000   0.0000  1367.35  159.057  ?   ?  0.000000 159.0565 
1 1 1    7   25   18 o  962.652  173.925   15.229   5.0497   14.887   5.9268   16.137   9.6452  944.447  206.197  978.826  292.324 -34.37964 357.7300 
1 1 1    7   25   20 o  834.511  239.018   11.694   6.5651   22.327   8.4491  -4.5069   10.429  1148.13  242.617  587.682  265.593 560.4436 359.7260 
1 1 1    7   25   22 o  784.207  205.526   10.371   5.1079   16.106   5.9412  -5.8837   10.002  979.608  200.442  554.063  254.111 425.5448 323.6503 
1 1 1    7   25   24 o  866.609  197.100   12.711   5.2277   15.557   6.0334   4.1412   10.471  957.619  207.230  709.251  292.143 248.3677 358.1786 
1 1 1    7   25   26 o  1225.81  194.014   25.164   7.1989   11.829   9.0358   48.337   11.912  841.252  286.499  1687.86  231.478 -846.6047 368.3256 
1 1 1    7   25   28 o  673.494  215.313   7.5484   5.1300   10.465   5.7281  -4.2696   11.531  778.058  223.383  607.152  276.315 170.9059 355.3170 
1 1 1    7   25   30 o  811.448  229.999   11.595   6.1116   12.057   7.1617   10.358   11.724  825.064  253.090  822.499  318.816 2.564453 407.0603 
1 1 1    7   25   32 o  908.885  195.950   14.372   5.4124   16.202   5.9854   6.1642   12.677  962.343  204.912  754.950  317.027 207.3936 377.4852 
1 1 1    7   25   34 o  612.583  254.148   3.7137   8.0039  -2.0723   10.291   12.572   12.734  580.640  262.988  845.480  331.002 -264.8403 422.7587 
1 1 1    7   25   36 o  615.666  255.676   4.2124   8.1118 -12.1567   10.194   32.471   13.394  469.340  227.010  1230.74  337.461 -761.3961 406.7107 
1 1 1    7   26    1 o  596.406  211.353   4.9196   4.9418   4.2012   7.4534   5.4831   6.6014  649.442  253.518  657.479  242.723 -8.036560 350.9780 
1 1 1    7   26    3 o  836.272  190.062   11.518   4.8640   10.025   6.1835   13.941   7.8774  787.192  233.826  920.747  261.170 -133.5544 350.5492 
1 1 1    7   26    5 o  990.875  210.008   16.186   6.3135   16.186   6.3135   0.0000   0.0000  990.875  210.008  ?   ?  0.000000 210.0082 
1 1 1    7   26    7 o  771.541  277.015   8.2323   8.5158   8.2323   8.5158   0.0000   0.0000  771.541  277.015  ?   ?  0.000000 277.0153 
1 1 1    7   26    9 o  493.859  205.395   0.9496   5.2461   0.9496   5.2461   0.0000   0.0000  493.859  205.395  ?   ?  0.000000 205.3954 
1 1 1    7   26   11 o  1091.02  153.608   19.193   5.1023   29.730   6.3643   0.2362   8.5363  1362.76  151.724  602.033  256.785 760.7239 298.2597 
1 1 1    7   26   13 o  710.755  205.022   8.2633   4.8150   11.879   5.9237   1.2224   8.2660  845.105  221.255  609.512  255.975 235.5928 338.3447 
1 1 1    7   26   15 o  730.661  203.658   8.8141   4.8338   7.1761   5.7592   12.718   8.8917  683.982  228.750  886.071  283.487 -202.0894 364.2679 
1 1 1    7   26   17 o  732.484  208.443   8.8726   5.0094   8.1297   5.9696   10.641   9.2099  716.417  232.598  833.694  289.041 -117.2776 371.0073 
1 1 1    7   26   19 o  585.000  211.529   4.7132   4.9758   3.6548   5.8297   7.5531   9.5493  579.132  224.725  765.030  289.939 -185.8973 366.8326 
1 1 1    7   26   21 o  643.757  221.958   6.2663   5.4273   12.137   6.2007 -12.9637   11.222  846.547  228.574  522.956  249.024 323.5917 338.0223 
1 1 1    7   26   23 o  771.843  224.038   10.034   5.7335   10.067   6.6126   9.9322   11.508  778.223  243.939  840.932  318.387 -62.70844 401.0940 
1 1 1    7   26   25 o  581.954  238.472   2.5741   6.9321   5.4462   8.5490  -2.9395   11.845  687.394  270.570  640.169  286.695 47.22540 394.2107 
1 1 1    7   26   27 o  928.525  198.229   14.675   5.5880   18.639   6.2822  -0.3434   12.229  1049.17  198.496  678.137  298.130 371.0342 358.1647 
1 1 1    7   26   29 o  613.766  214.576   5.8245   5.0808   6.9215   5.5675   0.3603   12.426  657.487  224.885  685.982  301.071 -28.49463 375.7881 
1 1 1    7   26   31 o  365.034  174.614  -7.0305   5.6501 -13.8589   6.3915   17.386   12.086  332.365  164.563  966.623  331.336 -634.2581 369.9523 
1 1 1    7   26   33 o  487.880  203.372   1.5498   5.1600  -1.4445   5.6248   17.452   12.963  443.706  198.218  953.612  341.837 -509.9060 395.1489 
1 1 1    7   27    0 o  1324.43  182.422   28.295   7.3645   28.295   7.3645   0.0000   0.0000  1324.43  182.422  ?   ?  0.000000 182.4223 
1 1 1    7   27    2 o  728.109  273.325   6.4840   8.4400   6.4840   8.4400   0.0000   0.0000  728.109  273.325  ?   ?  0.000000 273.3252 
1 1 1    7   27    4 o  657.166  256.112   4.4014   7.5971   4.4014   7.5971   0.0000   0.0000  657.166  256.112  ?   ?  0.000000 256.1121 
1 1 1    7   27    6 o  513.609  207.771   1.8516   5.1813   2.0714   7.5399   1.6550   7.1320  604.043  248.252  581.464  240.462 22.57861 345.6166 
1 1 1    7   27    8 o  867.843  184.869   12.411   4.8698   12.848   6.0985   11.643   8.0900  879.550  221.549  853.081  270.139 26.46863 349.3698 
1 1 1    7   27   10 o  727.621  210.396   8.6530   5.0652   12.950   6.2592   0.4997   8.6218  882.071  225.693  608.859  258.843 273.2118 343.4192 
1 1 1    7   27   12 o  1035.95  210.464   17.786   6.5942   15.674   9.6163   19.660   9.0598  971.732  292.267  1079.39  269.017 -107.6581 397.2275 
1 1 1    7   27   14 o  832.036  208.504   11.542   5.4213   15.581   6.4303   1.6144   10.081  965.908  217.804  670.625  282.216 295.2832 356.4892 
1 1 1    7   27   16 o  576.560  213.011   4.2982   5.0861  -0.3887   6.0385   15.741   9.4352  494.914  213.610  967.867  289.141 -472.9535 359.4883 
1 1 1    7   27   18 o  593.700  218.764   4.6410   5.3582   5.4331   6.1274   2.0671   11.046  636.910  234.053  700.839  295.196 -63.92877 376.7248 
1 1 1    7   27   20 o  887.362  212.150   13.266   5.8148   15.229   6.8251   8.0684   11.106  947.629  231.902  805.157  310.801 142.4719 387.7833 
1 1 1    7   27   22 o  972.025  197.590   15.826   5.8090   17.572   6.6844   10.439   11.741  1020.28  215.964  858.616  322.367 161.6602 388.0218 
1 1 1    7   27   24 o  743.610  260.859   8.5187   7.5121   6.5190   9.2751   12.332   12.807  729.628  283.364  905.231  337.306 -175.6019 440.5342 
1 1 1    7   27   26 f  299.119  151.129 -22.3591   6.8341 -19.2513   8.4122 -28.3921   11.721  375.897  186.582  431.624  215.214 -55.72739 284.8330 
1 1 1    7   27   28 o  716.669  222.925   8.6223   5.5344   9.5993   6.1082   4.1434   13.078  753.193  234.183  759.028  320.540 -5.834351 396.9729 
1 1 1    7   27   30 o  641.507  242.160   5.6803   6.6445  -4.9909   7.5912   40.638   13.740  472.120  218.275  1489.63  304.835 -1017.512 374.9239 
1 1 1    7   28    1 o  1119.11  217.034   20.631   7.3309   20.631   7.3309   0.0000   0.0000  1119.11  217.034  ?   ?  0.000000 217.0339 
1 1 1    7   28    3 o  619.272  215.846   5.4974   5.1393   4.8841   6.3985   6.6124   8.6271  634.369  238.013  734.252  276.199 -99.88306 364.6039 
1 1 1    7   28    5 o  505.371  200.996   2.1683   4.7633   5.2413   6.0707  -2.7547   7.6835  634.972  233.024  522.014  232.546 112.9578 329.2076 
1 1 1    7   28    7 o  583.657  227.380   3.4604   5.9865  -4.6108   8.2720   12.336   8.6747  517.158  234.846  877.888  279.915 -360.7306 365.3840 
1 1 1    7   28    9 f  379.052  179.574  -6.6924   5.6906  -9.4177   7.8709  -3.7078   8.2369  442.641  210.133  528.066  237.580 -85.42548 317.1753 
1 1 1    7   28   11 o  708.727  274.967   5.4836   8.7267   0.0000   0.0000   5.4836   8.7267  ?   ?   708.727  274.967 0.000000 274.9668 
1 1 1    7   28   13 o  608.099  224.156   4.7979   5.6263   7.6156   6.7814  -1.4255   10.078  716.530  248.045  623.537  272.465 92.99304 368.4609 
1 1 1    7   28   15 o  469.802  200.636   0.0367   5.2232  -2.5726   6.1432   6.8442   9.9224  459.706  206.129  763.197  294.007 -303.4912 359.0670 
1 1 1    7   28   17 o  672.317  226.844   6.9089   5.6642   6.8236   6.4934   7.1806   11.584  685.902  242.358  803.548  315.377 -117.6460 397.7435 
1 1 1    7   28   19 o  533.318  215.914   2.1552   5.6002   5.8382   6.4705  -8.8405   11.180  656.386  240.621  563.573  262.053 92.81354 355.7674 
1 1 1    7   28   21 o  524.122  216.761   1.5100   5.7958   1.2607   6.5550   2.4034   12.407  546.416  228.619  737.786  311.923 -191.3697 386.7331 
1 1 1    7   28   23 o  460.555  203.715  -1.5019   5.7939  -3.4991   6.5792   5.3971   12.228  460.264  209.177  776.919  317.357 -316.6543 380.0927 
1 1 1    7   28   25 o  711.263  316.194  -2.2607   14.130   0.0000   0.0000  -2.2607   14.130  ?   ?   711.263  316.194 0.000000 316.1943 
1 1 1    7   28   27 o  612.584  243.971   3.8334   7.0269   2.0415   8.0681   9.4628   14.301  605.588  253.529  869.429  347.466 -263.8407 430.1269 
1 1 1    7   29    0 o  622.482  219.553   5.4534   5.3266   0.3501   6.7294   14.015   8.7162  540.083  229.104  925.705  278.216 -385.6223 360.4059 
1 1 1    7   29    2 o  1075.69  183.316   18.862   5.9531   16.109   7.4720   23.645   9.8506  983.237  243.880  1188.33  270.770 -205.0990 364.4090 
1 1 1    7   29    4 o  355.761  169.428  -6.6568   5.1980 -10.9899   6.5808   0.5315   8.4760  372.774  180.817  605.669  257.036 -232.8953 314.2643 
1 1 1    7   29    6 o  1020.20  234.156   17.332   7.3217   17.332   7.3217   0.0000   0.0000  1020.20  234.156  ?   ?  0.000000 234.1558 
1 1 1    7   29    8 o  811.330  209.784   10.907   5.3689   11.629   6.6569   9.5640   9.0815  840.161  240.697  812.122  286.651 28.03864 374.3043 
1 1 1    7   29   10 o  425.179  193.612  -3.4393   5.6719  -4.0902   6.8640  -2.0382   10.071  467.848  213.022  616.050  270.695 -148.2020 344.4623 
1 1 1    7   29   12 o  654.247  283.976  -0.9077   10.794   0.0000   0.0000  -0.9077   10.794  ?   ?   654.247  283.976 0.000000 283.9760 
1 1 1    7   29   14 o  927.755  250.926   14.422   7.4652   9.7142   9.7255   21.174   11.647  823.636  296.004  1115.81  317.950 -292.1794 434.4084 
1 1 1    7   29   16 o  409.896  189.663  -4.5911   5.7490  -4.1154   6.6803  -5.9492   11.288  458.415  209.278  601.686  273.658 -143.2708 344.5079 
1 1 1    7   29   18 o  796.461  275.740   9.6386   8.3804   7.7820   10.797   12.452   13.292  799.130  306.989  933.238  344.435 -134.1086 461.3871 
1 1 1    7   29   20 o  498.332  227.151  -4.4790   7.8319  -4.5672   10.051  -4.3425   12.496  576.021  260.490  653.592  293.460 -77.57147 392.3948 
1 1 1    7   29   22 o  665.395  265.062   4.3162   8.2960  -3.4822   10.186   19.684   14.299  592.726  265.624  1077.83  360.433 -485.1056 447.7365 
1 1 1    7   29   24 o  614.686  285.562  -9.4955   13.228   0.0000   0.0000  -9.4955   13.228  ?   ?   614.686  285.562 0.000000 285.5618 
1 1 1    7   30    1 o  285.393  142.292 -13.3343   5.1200 -16.4187   6.6493  -8.8420   8.0246  330.993  164.561  456.013  215.191 -125.0193 270.9008 
1 1 1    7   30    3 o  414.683  189.284  -3.5154   5.4622  -6.2868   7.0781   0.5653   8.5887  447.380  208.186  610.501  258.893 -163.1209 332.2154 
1 1 1    7   30    5 o  642.391  227.330   5.7899   5.7152  -1.6753   7.3228   17.424   9.1415  525.791  230.936  1021.64  278.239 -495.8453 361.5914 
1 1 1    7   30    7 o  430.019  194.095  -2.8400   5.5497  -1.1531   6.8776  -5.9882   9.3958  517.145  225.552  541.113  247.480 -23.96857 334.8435 
1 1 1    7   30    9 o  869.756  231.013   12.557   6.3977   12.493   7.6600   12.705   11.634  873.439  260.432  924.752  324.616 -51.31323 416.1734 
1 1 1    7   30   11 o  377.602  179.758  -7.3792   5.8388  -9.0510   6.7789  -2.5744   11.492  400.982  191.659  653.436  288.075 -252.4537 346.0059 
1 1 1    7   30   13 o  577.942  231.188   2.7948   6.3373   3.1673   7.3191   1.6788   12.667  618.495  248.083  745.155  315.113 -126.6597 401.0505 
1 1 1    7   30   15 o  503.457  229.328  -4.6618   7.9652   1.1436   10.477 -12.6144   12.262  675.642  286.193  565.643  266.646 109.9990 391.1605 
1 1 1    7   30   17 o  901.067  348.175   9.8805   13.948   0.0000   0.0000   9.8805   13.948  ?   ?   901.067  348.175 0.000000 348.1754 
1 1 1    7   30   19 o  883.867  342.008   9.5501   13.473   0.0000   0.0000   9.5501   13.473  ?   ?   883.867  342.008 0.000000 342.0080 
1 1 1    7   30   21 o  952.051  238.895   15.328   7.1101   16.574   8.2028   11.565   14.258  987.230  261.279  928.520  353.710 58.71021 439.7469 
1 1 1    7   31    0 o  719.179  234.152   8.0043   6.0481   1.8795   7.8268   17.082   9.5287  610.411  252.125  1015.06  287.006 -404.6505 382.0202 
1 1 1    7   31    2 o  471.839  209.082  -1.9847   6.1300  -3.3800   7.7789   0.3014   9.9571  517.014  231.881  650.960  277.486 -133.9459 361.6174 
1 1 1    7   31    4 o  844.052  233.599   11.735   6.3834   9.1474   7.7862   17.038   11.148  781.437  265.951  1022.33  316.129 -240.8958 413.1192 
1 1 1    7   31    6 o  868.174  235.374   12.459   6.5593   12.460   7.8860   12.457   11.816  875.821  264.952  924.839  326.912 -49.01807 420.7981 
1 1 1    7   31    8 o  548.907  229.186   1.0748   6.5683   3.2845   7.7373  -4.6257   12.427  635.950  255.077  657.584  294.134 -21.63348 389.3316 
1 1 1    7   31   10 o  793.317  283.009   8.9008   8.8747   1.7764   11.892   17.856   13.332  728.785  306.598  1056.35  347.832 -327.5619 463.6699 
1 1 1    7   31   12 o  855.059  275.832   11.605   8.4047   4.7207   11.134   20.723   12.814  756.713  305.115  1114.48  337.873 -357.7643 455.2506 
1 1 1    7   31   14 o  910.879  279.136   13.574   8.7141   5.8615   11.730   23.072   13.017  790.030  315.035  1166.81  337.259 -376.7787 461.5088 
1 1 1    7   31   16 o  795.537  249.613   10.185   6.9219   13.811   8.0217  -0.3877   13.696  912.047  265.077  742.350  321.053 169.6976 416.3425 
1 1 1    7   32    1 o  560.888  229.750   1.8126   6.4312   1.9195   7.9650   1.6123   10.901  616.259  254.425  701.222  294.197 -84.96252 388.9522 
1 1 1    7   32    3 o  632.242  260.548   2.1285   8.3334   2.1285   8.3334   0.0000   0.0000  632.242  260.548  ?   ?  0.000000 260.5477 
1 1 1    7   32    5 o  1116.41  252.679   20.728   8.6271   36.439   11.860   3.0737   12.572  1486.16  264.565  769.342  318.797 716.8159 414.2783 
1 1 1    7   32    7 o  713.707  275.599   5.5265   8.7350   12.952   12.264  -2.1184   12.444  942.927  333.087  690.745  302.272 252.1829 449.7946 
1 1 1    7   32    9 o  391.982  188.663 -10.1895   6.8324 -12.4056   8.1092  -4.7667   12.685  423.540  204.262  664.106  297.101 -240.5659 360.5442 
1 1 1    8    0    0 o  6180.93  212.865  603.338   41.087  603.338   41.087  603.338   41.087  6180.93  212.865  6180.93  212.865 -0.000000 0.000000 
1 1 1    8    0    2 f  3583.20  140.960  202.433   15.760  202.433   15.760  202.433   15.760  3583.20  140.960  3583.20  140.960 -0.000000 0.000000 
1 1 1    8    0    4 o  1447.40   97.349   33.284   4.3662   33.284   4.3662   33.284   4.3662  1447.40   97.349  1447.40   97.349 -0.000000 0.000000 
1 1 1    8    0    6 o  5112.36  182.234  413.003   29.088  413.003   29.088  413.003   29.088  5112.36  182.234  5112.36  182.234 -0.000000 0.000000 
1 1 1    8    0    8 o  725.680   97.076   8.6914   2.0951   8.6914   2.0951   8.6914   2.0951  725.680   97.076  725.680   97.076 -0.000000 0.000000 
1 1 1    8    0   10 f  800.779  148.814   11.065   3.3529   11.065   3.3529   11.065   3.3529  800.779  148.814  800.779  148.814 -0.000000 0.000000 
1 1 1    8    0   12 o  1139.21  139.529   21.326   4.7773   21.326   4.7773   21.326   4.7773  1139.21  139.529  1139.21  139.529 -0.000000 0.000000 
1 1 1    8    0   14 o  3567.48  140.193  201.429   15.606  201.429   15.606  201.429   15.606  3567.48  140.193  3567.48  140.193 -0.000000 0.000000 
1 1 1    8    0   16 o  1098.56   94.927   19.371   3.2093   19.371   3.2093   19.371   3.2093  1098.56   94.927  1098.56   94.927 -0.000000 0.000000 
1 1 1    8    0   20 o  549.050  170.070   5.9496   2.5601   5.9496   2.5601   5.9496   2.5601  549.050  170.070  549.050  170.070 -0.000000 0.000000 
1 1 1    8    0   22 o  769.881  156.147   10.460   3.3325   10.460   3.3325   10.460   3.3325  769.881  156.147  769.881  156.147 -0.000000 0.000000 
1 1 1    8    0   24 o  2977.81  126.357  141.273   11.734  141.273   11.734  141.273   11.734  2977.81  126.357  2977.81  126.357 -0.000000 0.000000 
1 1 1    8    0   26 o  2138.77  158.122   74.225   10.456   74.225   10.456   74.225   10.456  2138.77  158.122  2138.77  158.122 -0.000000 0.000000 
1 1 1    8    0   28 o  224.182  130.171   0.9798   1.4981   0.9798   1.4981   0.9798   1.4981  224.182  130.171  224.182  130.171 -0.000000 0.000000 
1 1 1    8    0   30 o  3268.53  196.973  175.540   19.992  175.540   19.992  175.540   19.992  3268.53  196.973  3268.53  196.973 -0.000000 0.000000 
1 1 1    8    0   32 o  547.265  199.759   6.4231   3.1543   6.4231   3.1543   6.4231   3.1543  547.265  199.759  547.265  199.759 -0.000000 0.000000 
1 1 1    8    0   34 o  1721.54  157.941   48.713   8.3491   48.713   8.3491   48.713   8.3491  1721.54  157.941  1721.54  157.941 -0.000000 0.000000 
1 1 1    8    0   36 o  1975.90  108.227   62.310   6.6501   62.310   6.6501   62.310   6.6501  1975.90  108.227  1975.90  108.227 -0.000000 0.000000 
1 1 1    8    0   38 o  124.704   89.428  -2.6722   1.6480  -2.6722   1.6480  -2.6722   1.6480  124.704   89.428  124.704   89.428 -0.000000 0.000000 
1 1 1    8    0   40 o  3938.09  154.629  249.079   19.001  249.079   19.001  249.079   19.001  3938.09  154.629  3938.09  154.629 -0.000000 0.000000 
1 1 1    8    0   42 o  160.038  114.162  -3.6879   2.5474  -3.6879   2.5474  -3.6879   2.5474  160.038  114.162  160.038  114.162 -0.000000 0.000000 
1 1 1    8    0   44 o  653.602  197.165   8.4619   3.5188   8.4619   3.5188   8.4619   3.5188  653.602  197.165  653.602  197.165 -0.000000 0.000000 
1 1 1    8    0   48 o  927.119  233.743   16.530   5.8684   16.530   5.8684   16.530   5.8684  927.119  233.743  927.119  233.743 -0.000000 0.000000 
1 1 1    8    0   50 o  240.019  165.999  -2.9806   4.2478  -2.9806   4.2478  -2.9806   4.2478  240.019  165.999  240.019  165.999 -0.000000 0.000000 
1 1 1    8    0   52 f  679.475  287.282   11.471   6.1801   11.471   6.1801   11.471   6.1801  679.475  287.282  679.475  287.282 -0.000000 0.000000 
1 1 1    8    0   54 o  782.226  297.169   14.671   6.8408   14.671   6.8408   14.671   6.8408  782.226  297.169  782.226  297.169 -0.000000 0.000000 
1 1 1    8    0   56 f  2473.05  194.329  106.291   14.835  106.291   14.835  106.291   14.835  2473.05  194.329  2473.05  194.329 -0.000000 0.000000 
1 1 1    8    1    1 o  1450.19   67.661   32.962   3.0724   32.089   4.3402   33.838   4.3500  1426.70   97.743  1465.47   95.314 -38.77393 136.5226 
1 1 1    8    1    3 o  3934.61  105.587  243.094   13.009  241.217   18.397  244.971   18.397  3913.49  150.130  3944.00  148.965 -30.51392 211.4936 
1 1 1    8    1    5 o  4742.91  121.064  353.819   17.980  356.185   25.427  351.452   25.427  4747.88  171.032  4715.94  172.191 31.94434 242.6962 
1 1 1    8    1    7 o  1443.12   67.573   32.664   3.0535   32.366   4.3162   32.963   4.3203  1431.94   96.831  1445.25   96.014 -13.30627 136.3636 
1 1 1    8    1    9 o  1501.77   79.307   35.519   3.7161   34.417   6.4338   36.070   4.5523  1468.73  141.653  1511.28   96.706 -42.54993 171.5152 
1 1 1    8    1   11 o  3503.29  113.432  193.693   12.443  191.469   15.240  198.141   21.550  3475.86  140.029  3510.13  196.861 -34.26733 241.5830 
1 1 1    8    1   13 o  662.826   94.695   7.0604   1.9095   0.0000   0.0000   7.0604   1.9095  ?   ?   662.826   94.695 0.000000 94.69506 
1 1 1    8    1   15 o  1243.64   66.464   24.368   2.5788   26.653   3.6483   22.087   3.6457  1297.46   90.365  1178.97   99.691 118.4869 134.5512 
1 1 1    8    1   17 o  788.446   93.589   9.9460   2.2654   0.0000   0.0000   9.9460   2.2654  ?   ?   788.446   93.589 0.000000 93.58852 
1 1 1    8    1   19 o  959.283  136.542   14.995   3.9856   0.0000   0.0000   14.995   3.9856  ?   ?   959.283  136.542 0.000000 136.5421 
1 1 1    8    1   21 o  1186.25   95.507   22.495   3.5175   0.0000   0.0000   22.495   3.5175  ?   ?   1186.25   95.507 0.000000 95.50750 
1 1 1    8    1   23 o  1056.61   76.831   17.793   2.5245   19.255   4.3747   17.063   3.0912  1081.64  131.898  1029.19   97.067 52.45386 163.7659 
1 1 1    8    1   25 o  984.036   76.944   15.486   2.3520   15.447   4.0315   15.506   2.8958  961.264  137.888  979.131   95.676 -17.86688 167.8302 
1 1 1    8    1   27 o  1038.05   78.604   17.277   2.5360   21.877   4.3510   14.909   3.1209  1150.70  122.646  954.490  106.222 196.2076 162.2509 
1 1 1    8    1   29 o  993.765   79.289   15.908   2.4467   17.545   4.3138   15.131   2.9708  1016.05  139.255  961.093  100.189 54.95544 171.5517 
1 1 1    8    1   31 o  765.186   76.054   9.4931   1.7981   8.3481   2.5424   10.639   2.5434  699.409  120.437  799.139  104.114 -99.72986 159.2006 
1 1 1    8    1   33 o  2687.96  102.244  119.102   8.6055  120.964   10.519  115.335   14.963  2674.92  125.592  2484.70  193.852 190.2209 230.9805 
1 1 1    8    1   35 o  563.185  121.015   5.4931   2.0705   5.6647   2.4207   5.0251   3.9963  565.428  137.948  532.816  189.930 32.61267 234.7401 
1 1 1    8    1   37 o  2176.11   94.536   77.448   6.4416   77.744   7.8295   76.827   11.332  2154.05  116.514  2054.63  177.902 99.42163 212.6609 
1 1 1    8    1   39 o  886.857  132.634   13.736   3.5701   12.994   4.8796   14.591   5.2371  816.023  193.843  862.589  198.076 -46.56671 277.1452 
1 1 1    8    1   41 o  2384.52  193.298  111.007   14.308  111.007   14.308   0.0000   0.0000  2384.52  193.298  ?   ?  0.000000 193.2977 
1 1 1    8    1   43 o  1760.38   96.034   51.962   5.2735   50.089   6.5795   55.326   8.8190  1689.84  125.236  1707.76  167.061 -17.91833 208.7900 
1 1 1    8    1   45 o  1208.76  122.685   26.143   4.5792   24.231   6.6579   27.859   6.3081  1048.30  210.149  1175.18  176.911 -126.8801 274.7004 
1 1 1    8    1   47 o  776.191  158.969   12.676   3.7337   11.133   5.4172   14.073   5.1531  617.755  221.032  732.247  212.354 -114.4919 306.5118 
1 1 1    8    1   49 o  854.172  164.417   17.472   4.2379   19.527   6.2322   15.704   5.7800  707.167  237.949  632.154  228.075 75.01263 329.6028 
1 1 1    8    1   51 o  412.432  187.077   8.8549   5.2300   0.0000   0.0000   8.8549   5.2300  ?   ?   412.432  187.077 0.000000 187.0766 
1 1 1    8    1   53 o  1318.01  177.359   57.334   7.1338   61.794   10.274   53.181   9.9134  671.113  283.793  593.174  264.202 77.93970 387.7384 
1 1 1    8    1   55 o  ?   ?   -6.4581   4.8473   0.0000   0.0000  -6.4581   4.8473  ?   ?   ?   ?  0.000000      ? 
1 1 1    8    2    0 o  6850.48  162.561  739.405   34.870  782.280   49.318  696.543   49.310  7026.31  224.161  6625.18  237.696 401.1318 326.7221 
1 1 1    8    2    2 o  3979.02  106.020  248.608   13.209  244.181   18.680  253.036   18.681  3937.41  151.514  4008.59  148.833 -71.17993 212.3861 
1 1 1    8    2    4 o  1261.79   66.250   25.028   2.6084   23.993   3.6853   26.066   3.6922  1232.50   96.256  1285.38   92.352 -52.87720 133.3946 
1 1 1    8    2    6 o  2573.89   82.385  103.979   6.6398  104.795   9.3901  103.162   9.3900  2580.81  116.197  2560.52  117.117 20.28687 164.9793 
1 1 1    8    2    8 o  2773.84   85.482  120.869   7.4246  114.962   10.498  126.781   10.502  2700.16  124.160  2836.50  118.247 -136.3389 171.4580 
1 1 1    8    2   10 o  2329.51  111.200   85.567   8.1112   80.060   11.466   91.085   11.476  2238.07  164.768  2390.90  154.115 -152.8350 225.6101 
1 1 1    8    2   12 o  2693.56  119.260  114.704   10.059  109.202   14.218  120.216   14.232  2608.09  175.116  2740.13  166.667 -132.0320 241.7515 
1 1 1    8    2   14 o  1469.06   97.223   34.175   4.4470   34.337   6.2861   34.013   6.2918  1464.06  138.779  1456.86  139.635 7.198730 196.8693 
1 1 1    8    2   16 o  691.278   76.792   7.6107   1.6341   8.1929   2.8013   7.3104   2.0119  707.303  131.320  673.648   98.273 33.65479 164.0196 
1 1 1    8    2   18 o  1913.48  150.180   59.010   8.9259   0.0000   0.0000   59.010   8.9259  ?   ?   1913.48  150.180 0.000000 150.1800 
1 1 1    8    2   20 o  2648.09  119.161  111.988   9.8806  108.010   13.965  115.976   13.982  2566.61  174.805  2664.17  168.471 -97.56079 242.7742 
1 1 1    8    2   22 o  1192.65   77.527   22.619   2.8795   20.704   4.9749   23.584   3.5311  1119.23  145.387  1213.70   93.639 -94.46680 172.9322 
1 1 1    8    2   24 o  624.957   80.165   6.3070   1.5326   7.2560   2.6435   5.8266   1.8810  656.020  133.237  593.985  104.971 62.03442 169.6203 
1 1 1    8    2   26 o  643.349   70.815   6.6465   1.4029   7.3379   2.0138   5.9945   1.9556  668.861   99.156  600.765  107.925 68.09607 146.5591 
1 1 1    8    2   28 o  1635.64   70.709   42.574   3.6214   43.150   5.1415   42.006   5.1017  1630.09  101.231  1607.90  101.855 22.18567 143.6044 
1 1 1    8    2   30 o  1008.64   69.058   16.311   2.1679   18.111   3.0900   14.565   3.0424  1052.53   94.773  938.329  105.370 114.2042 141.7208 
1 1 1    8    2   32 o  1871.93   88.469   56.948   5.1856   58.683   8.9400   56.068   6.3659  1824.00  158.093  1835.19  111.305 -11.19031 193.3450 
1 1 1    8    2   34 o  1649.28   85.412   44.225   4.3958   45.649   5.4145   41.472   7.5290  1660.45  104.676  1529.03  159.608 131.4270 190.8710 
1 1 1    8    2   36 o  1529.86  107.325   38.828   5.1087   37.597   7.3713   39.966   7.0867  1451.73  165.094  1511.04  151.834 -59.31458 224.2983 
1 1 1    8    2   40 o  1549.16  114.250   40.708   5.5029   40.708   5.5029   0.0000   0.0000  1549.16  114.250  ?   ?  0.000000 114.2500 
1 1 1    8    2   42 o  983.037  132.405   17.151   3.9719   17.151   3.9719   0.0000   0.0000  983.037  132.405  ?   ?  0.000000 132.4054 
1 1 1    8    2   44 o  2950.13  142.476  158.415   13.161  144.738   18.256  173.214   18.991  2543.28  231.794  2840.96  215.080 -297.6838 316.2084 
1 1 1    8    2   46 o  1642.05  135.708   50.629   6.9151   53.390   9.1937   47.032   10.494  1567.21  191.318  1321.68  262.815 245.5272 325.0759 
1 1 1    8    2   48 o  1124.59  238.678   37.758   8.1447   37.758   8.1447   0.0000   0.0000  1124.59  238.678  ?   ?  0.000000 238.6780 
1 1 1    8    2   50 o  774.038  267.243   31.779   7.8692   31.779   7.8692   0.0000   0.0000  774.038  267.243  ?   ?  0.000000 267.2433 
1 1 1    8    2   52 o  629.049  247.482   29.336   7.1490   0.0000   0.0000   29.336   7.1490  ?   ?   629.049  247.482 0.000000 247.4816 
1 1 1    8    2   54 o  257.195  127.296   0.7246   3.8112  -1.7715   5.9966   2.4162   4.9364  ?   ?   274.896  137.465 0.000000 137.4654 
1 1 1    8    2   56 o  877.803  274.467   72.313   8.3771   82.543   12.120   62.956   11.591  388.353  196.705  ?   ?  0.000000 196.7048 
1 1 1    8    3    1 o  1583.05   80.202   39.404   3.9626   37.520   6.8569   40.349   4.8554  1537.12  144.146  1600.37   97.355 -63.24878 173.9431 
1 1 1    8    3    3 o  7480.95  202.142  887.111   47.351  961.474   82.036  849.959   57.986  7701.86  340.168  7296.79  253.788 405.0630 424.4081 
1 1 1    8    3    5 o  5325.19  153.797  447.742   25.645  406.543   44.418  468.342   31.409  5016.39  283.944  5436.27  184.514 -419.8809 338.6288 
1 1 1    8    3    7 o  1667.29   81.204   43.650   4.2394   39.843   7.3453   45.551   5.1913  1580.41  150.237  1699.29   97.980 -118.8783 179.3636 
1 1 1    8    3    9 o  2128.79  108.092   71.585   7.1816   76.515   10.159   66.660   10.153  2192.57  148.858  2043.16  159.981 149.4092 218.5240 
1 1 1    8    3   11 o  1794.15  101.906   50.899   5.7014   48.461   8.0534   53.348   8.0726  1740.64  149.202  1828.62  142.101 -87.98669 206.0431 
1 1 1    8    3   13 o  1571.49   98.719   39.086   4.8330   38.841   6.8230   39.333   6.8469  1557.74  141.423  1567.76  140.983 -10.01782 199.6916 
1 1 1    8    3   15 o  676.727   75.815   7.2920   1.5789   4.9002   2.7051   8.5279   1.9445  546.391  152.369  730.800   86.666 -184.4090 175.2923 
1 1 1    8    3   17 o  916.235   76.769   13.309   2.1822   11.718   3.8265   14.075   2.6565  844.190  150.266  940.073   91.402 -95.88306 175.8816 
1 1 1    8    3   19 o  828.259   75.001   10.902   1.9240   11.527   3.3044   10.582   2.3666  840.084  129.801  812.265   94.835 27.81885 160.7539 
1 1 1    8    3   21 o  360.652  101.514   2.1293   1.1949   2.7408   1.6622   1.4754   1.7188  409.811  121.114  336.955  123.942 72.85666 173.2921 
1 1 1    8    3   23 o  1126.10  101.289   20.459   3.5333   15.181   5.0712   25.438   4.9257  938.942  179.022  1246.30  128.040 -307.3585 220.0984 
1 1 1    8    3   25 o  577.943   73.931   5.3862   1.3073   5.6716   1.8822   5.1202   1.8170  584.883  106.704  554.573  108.522 30.30963 152.1929 
1 1 1    8    3   27 o  1206.36   80.731   23.328   3.0319   22.755   5.4424   23.586   3.6510  1157.08  154.040  1206.69   97.459 -49.60120 182.2812 
1 1 1    8    3   29 o  1206.79  103.622   23.849   3.8776   23.849   3.8776   0.0000   0.0000  1206.79  103.622  ?   ?  0.000000 103.6218 
1 1 1    8    3   31 o  1439.43   80.807   33.494   3.6274   35.872   4.5017   29.092   6.1251  1479.17   97.746  1288.69  154.893 190.4780 183.1566 
1 1 1    8    3   33 o  821.124  111.427   11.356   2.7910   11.356   2.7910   0.0000   0.0000  821.124  111.427  ?   ?  0.000000 111.4273 
1 1 1    8    3   35 f  676.374   87.603   7.5277   1.8117   8.0810   2.5609   6.9734   2.5635  685.793  123.812  631.523  133.796 54.27045 182.2936 
1 1 1    8    3   37 o  1373.84  115.879   31.656   4.9384   34.043   6.7420   28.893   7.2539  1386.99  158.060  1244.08  192.422 142.9100 249.0166 
1 1 1    8    3   39 o  474.026  140.922   4.0063   2.2453   4.7314   2.5820   1.7578   4.5471  510.720  150.952  441.208  187.782 69.51215 240.9327 
1 1 1    8    3   41 o  1004.51  106.672   17.096   3.3039   20.152   3.9095   9.4596   6.1797  1083.18  117.133  653.912  235.843 429.2642 263.3289 
1 1 1    8    3   43 o  2531.39  129.627  112.770   10.240  112.920   14.637  112.626   14.332  2362.79  199.706  2373.11  194.582 -10.31885 278.8275 
1 1 1    8    3   45 o  1402.00  132.381   35.822   5.7428   30.978   7.4419   42.953   9.0294  1193.98  206.526  1394.52  213.586 -200.5363 297.1061 
1 1 1    8    3   47 o  1413.27  145.990   40.197   6.3674   43.772   8.2646   34.977   9.9879  1353.17  201.173  948.663  300.132 404.5074 361.3168 
1 1 1    8    3   49 o  424.267  189.461   6.1367   5.1335   6.1367   5.1335   0.0000   0.0000  424.267  189.461  ?   ?  0.000000 189.4610 
1 1 1    8    3   51 o  382.578  181.091   7.5975   5.7633   7.5975   5.7633   0.0000   0.0000  382.578  181.091  ?   ?  0.000000 181.0906 
1 1 1    8    3   55 o  514.979  202.335   19.386   4.7726   21.262   6.9333   17.696   6.5796  358.106  176.189  342.901  169.263 15.20572 244.3211 
1 1 1    8    3   57 o  ?   ?    15.917   8.6319   15.917   8.6319   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    8    4    0 o  3369.56  112.329  178.415   11.852  168.173   20.540  183.527   14.511  3251.89  202.729  3414.61  135.719 -162.7146 243.9646 
1 1 1    8    4    2 o 11022.01  299.269  1956.80  103.285  2022.18  178.920  1924.12  126.490 10892.96  524.560 10846.57  372.432 46.38770 643.3259 
1 1 1    8    4    4 o  1151.37   76.708   20.892   2.7497   20.067   4.7664   21.303   3.3663  1119.77  138.925  1160.89   93.396 -41.12463 167.4004 
1 1 1    8    4    6 o  1475.88   78.364   34.291   3.6085   39.730   6.2653   31.591   4.4141  1582.31  127.537  1413.83  100.360 168.4801 162.2890 
1 1 1    8    4    8 o  3917.30  121.656  242.148   14.922  253.460   25.843  236.490   18.277  3972.62  208.479  3863.05  151.100 109.5681 257.4782 
1 1 1    8    4   10 o  1310.35   95.163   27.175   3.8779   26.282   5.4736   28.074   5.4949  1280.73  138.706  1325.06  134.290 -44.32776 193.0627 
1 1 1    8    4   12 o  440.030  102.463   3.1753   1.3854   0.0000   0.0000   3.1753   1.3854  ?   ?   440.030  102.463 0.000000 102.4627 
1 1 1    8    4   14 o  1780.03   83.035   49.868   4.6281   56.837   8.0028   46.365   5.6730  1887.31  136.336  1710.30  106.459 177.0107 172.9772 
1 1 1    8    4   16 o  2236.09   90.438   78.852   6.3323   77.012   10.993   79.766   7.7465  2187.03  161.672  2245.08  110.194 -58.05591 195.6543 
1 1 1    8    4   18 o  2412.42   81.223   91.792   6.1355   90.649   8.6763   92.935   8.6775  2388.21  116.024  2418.59  114.582 -30.37231 163.0657 
1 1 1    8    4   20 o  3167.57   92.758  159.158   9.2001  155.169   13.008  163.151   13.014  3105.90  133.751  3186.88  130.416 -80.97681 186.8095 
1 1 1    8    4   22 o  1552.12   80.368   38.308   3.8926   40.329   4.7861   34.361   6.6902  1587.20   96.763  1442.10  150.370 145.0927 178.8137 
1 1 1    8    4   24 o  463.624  134.743   3.5950   2.0727   0.0000   0.0000   3.5950   2.0727  ?   ?   463.624  134.743 0.000000 134.7435 
1 1 1    8    4   26 o  1327.92   77.550   28.158   3.2105   27.997   3.9753   28.461   5.4444  1316.86   97.092  1309.94  134.651 6.925293 166.0053 
1 1 1    8    4   28 f  1019.35   96.928   16.909   3.0566   19.633   4.6298   14.805   4.0695  1077.91  140.512  932.346  144.036 145.5673 201.2212 
1 1 1    8    4   30 o  2261.33   91.888   82.859   6.5064   85.982   11.387   81.346   7.9280  2217.41  165.187  2217.46  114.572 -0.4467773E-01 201.0311 
1 1 1    8    4   32 o  1503.05   85.821   36.692   4.0224   37.509   7.1991   36.322   4.8500  1457.07  160.451  1482.16  105.187 -25.09082 191.8559 
1 1 1    8    4   34 o  723.588  100.605   8.7154   2.2178   4.1212   4.1218   10.587   2.6311  506.028  190.797  795.060  108.521 -289.0315 219.5006 
1 1 1    8    4   36 f  1988.59   88.425   64.129   5.5060   65.270   9.5658   63.564   6.7333  1927.68  159.922  1958.58  110.240 -30.90100 194.2366 
1 1 1    8    4   38 o  3138.78  112.354  164.137   11.042  166.557   19.139  162.929   13.520  2949.02  208.605  3075.63  140.385 -126.6064 251.4438 
1 1 1    8    4   40 o  1775.92   90.151   51.859   4.9967   47.287   8.6642   54.138   6.1163  1592.78  176.701  1794.61  109.365 -201.8276 207.8070 
1 1 1    8    4   42 o  2349.52   99.524   92.169   7.3219   92.356   12.571   92.073   9.0074  2187.08  185.308  2304.35  125.305 -117.2676 223.6972 
1 1 1    8    4   44 o  850.162  157.840   13.752   4.0471   11.099   4.9304   19.231   7.0862  710.316  208.209  893.527  245.646 -183.2114 322.0139 
1 1 1    8    4   46 o  1229.38  148.156   29.435   5.5883   31.624   6.9726   25.504   9.3445  1201.63  191.760  850.860  291.343 350.7696 348.7873 
1 1 1    8    4   48 o  348.991  157.831   1.5032   3.6905  -2.4881   4.2005   15.011   7.7276  298.250  144.621  562.622  242.242 -264.3722 282.1280 
1 1 1    8    4   50 o  464.429  168.286   6.5099   3.1517   2.0414   4.9922   9.4712   4.0640  338.658  162.559  516.125  190.464 -177.4669 250.4037 
1 1 1    8    4   52 o  464.756  222.171   29.057   9.1154   29.057   9.1154   0.0000   0.0000  464.756  222.171  ?   ?  0.000000 222.1709 
1 1 1    8    5    1 o  1475.12   68.154   34.124   3.1480   30.984   4.4504   37.268   4.4535  1400.51  102.190  1537.73   92.930 -137.2216 138.1256 
1 1 1    8    5    3 o  4396.85  113.576  304.214   15.637  316.748   22.117  291.688   22.110  4475.96  157.807  4293.45  164.462 182.5142 227.9267 
1 1 1    8    5    5 o  2748.94  121.106  119.095   10.424  116.094   14.743  122.095   14.742  2698.88  175.406  2769.26  170.840 -70.38037 244.8542 
1 1 1    8    5    7 o  487.203   81.681   3.8301   1.2020   3.9428   2.0487   3.7709   1.4843  491.067  130.868  480.457  101.825 10.60974 165.8152 
1 1 1    8    5    9 o  122.908   55.844  -0.2905   0.4686  -0.5750   0.7276  -0.0889   0.6124  147.561   67.994  156.726   67.836 -9.165558 96.04607 
1 1 1    8    5   11 o  1753.34   71.295   48.293   3.9142   46.305   5.5346   50.283   5.5365  1710.56  103.823  1783.53   99.534 -72.96204 143.8267 
1 1 1    8    5   13 o  2696.67   97.562  114.641   8.2381  108.634   14.256  117.652   10.094  2599.38  176.188  2727.48  118.193 -128.0957 212.1598 
1 1 1    8    5   15 o  1253.80   96.702   24.949   3.7672   0.0000   0.0000   24.949   3.7672  ?   ?   1253.80   96.702 0.000000 96.70238 
1 1 1    8    5   17 o  1099.06   77.287   19.121   2.6428   18.015   3.2535   21.267   4.5315  1062.84   98.895  1148.98  128.135 -86.13684 161.8605 
1 1 1    8    5   19 o  1334.12   77.513   28.193   3.2241   29.488   3.9719   25.691   5.5206  1360.94   93.778  1255.79  142.941 105.1404 170.9571 
1 1 1    8    5   21 o  2714.38   98.582  117.427   8.3789  116.398   10.270  119.476   14.491  2689.90  121.927  2684.19  173.340 5.714355 211.9270 
1 1 1    8    5   23 o  1174.18   98.156   22.199   3.5757   20.749   5.1393   23.560   4.9783  1114.17  151.217  1195.49  135.376 -81.31628 202.9615 
1 1 1    8    5   25 o  539.515   74.558   4.7054   1.2259   5.0987   1.7405   4.3183   1.7269  554.661  104.039  507.799  111.645 46.86105 152.6062 
1 1 1    8    5   27 o  1008.03   68.219   16.202   2.1406   15.817   3.0487   16.577   3.0062  985.705  100.168  1010.81   96.138 -25.10693 138.8381 
1 1 1    8    5   29 o  607.992   97.612   6.1265   1.7954   9.9824   3.5482   4.7993   2.0816  753.921  155.465  527.956  127.382 225.9645 200.9866 
1 1 1    8    5   31 o  547.248  122.850   5.1712   2.0535   3.8455   3.5900   5.8160   2.5035  488.093  179.185  574.618  140.348 -86.52542 227.6066 
1 1 1    8    5   33 o  409.586  113.571   2.8646   1.5073  -1.2131   3.3672   3.8866   1.6857  331.301  150.210  475.650  114.547 -144.3494 188.9023 
1 1 1    8    5   35 o  325.390  109.416   1.6639   1.3177   4.5383   2.9824   0.9667   1.4689  508.870  164.326  290.852  112.820 218.0181 199.3274 
1 1 1    8    5   37 o  1042.40   87.276   17.724   2.8225   21.817   4.9380   15.738   3.4398  1121.11  143.994  967.258  115.878 153.8562 184.8295 
1 1 1    8    5   39 o  735.207  147.753   9.6961   3.2834   9.5091   4.1430   10.012   5.3841  703.649  185.428  698.488  220.293 5.160889 287.9456 
1 1 1    8    5   41 o  1038.37   94.801   17.937   3.0484   20.835   5.3622   16.553   3.7054  1059.44  167.185  977.549  123.829 81.89264 208.0495 
1 1 1    8    5   43 o  558.971  138.347   5.7392   2.4084   2.9574   4.1731   7.1286   2.9491  450.987  184.941  614.727  153.639 -163.7406 240.4326 
1 1 1    8    5   45 o  921.484  174.986   17.199   4.8644   24.182   5.9547   3.1913   8.4336  1086.90  181.357  496.397  229.698 590.5039 292.6628 
1 1 1    8    5   47 o  484.519  200.004   6.3027   4.9210  -2.4108   6.3959   18.944   7.7038  363.207  176.654  704.224  261.763 -341.0170 315.7956 
1 1 1    8    5   49 o  775.683  156.951   14.127   3.6812   2.7443   7.5908   17.627   4.2093  376.996  185.260  858.422  162.553 -481.4258 246.4647 
1 1 1    8    5   51 o  791.858  229.633   25.778   6.0260   0.0000   0.0000   25.778   6.0260  ?   ?   791.858  229.633 0.000000 229.6330 
1 1 1    8    6    0 o  4881.18  143.754  376.130   21.972  375.995   26.919  376.400   38.030  4870.10  176.524  4835.65  252.033 34.45215 307.7032 
1 1 1    8    6    2 o  1418.20   96.852   31.762   4.2752   32.979   6.0756   30.568   6.0170  1439.29  136.439  1384.44  140.757 54.84888 196.0316 
1 1 1    8    6    4 o  1355.06   78.629   28.930   3.3219   30.435   5.7668   28.183   4.0639  1381.78  135.010  1335.05   97.897 46.72742 166.7675 
1 1 1    8    6    6 o  3583.35  113.952  202.450   12.786  209.626   22.159  198.868   15.655  3616.45  196.417  3544.92  141.034 71.53149 241.8062 
1 1 1    8    6    8 o  2721.95   98.272  116.671   8.3758  114.541   10.259  120.928   14.506  2692.86  121.665  2750.69  169.237 -57.83081 208.4311 
1 1 1    8    6   10 o  800.557   94.093   10.227   2.3137   10.642   3.2776   9.8149   3.2664  809.473  134.001  775.506  139.651 33.96649 193.5426 
1 1 1    8    6   12 o  3781.14  119.526  226.073   14.151  223.903   17.332  230.411   24.510  3753.27  147.478  3774.27  208.202 -20.99609 255.1426 
1 1 1    8    6   14 o  518.031  104.871   4.3888   1.6427   4.6388   2.4732   4.1915   2.1975  531.261  144.740  505.139  135.939 26.12247 198.5676 
1 1 1    8    6   16 o  1092.22   92.480   18.965   3.1331   15.852   4.4102   22.138   4.4519  985.601  147.431  1174.31  122.894 -188.7134 191.9339 
1 1 1    8    6   18 o  382.062   81.325   2.3915   0.9431   3.1544   1.3806   1.7242   1.2913  437.264  102.598  334.171  108.150 103.0930 149.0727 
1 1 1    8    6   20 o  952.772   67.311   14.392   1.9952   13.055   2.8157   15.740   2.8277  899.813  101.721  991.436   92.139 -91.62274 137.2466 
1 1 1    8    6   22 o  2337.15   79.813   86.665   5.8408   83.804   8.2512   89.539   8.2692  2278.84  116.018  2360.57  111.874 -81.72559 161.1704 
1 1 1    8    6   24 o  2085.72   87.839   69.358   5.7367   62.608   7.0332   82.776   9.9160  1966.14  114.738  2242.42  141.954 -276.2753 182.5264 
1 1 1    8    6   26 o  1603.83   71.178   40.836   3.5745   38.898   5.0207   42.828   5.0904  1550.04  104.046  1628.62  100.308 -78.58826 144.5243 
1 1 1    8    6   28 o  1556.76   84.606   38.968   4.1087   36.695   7.2962   40.024   4.9720  1460.66  162.269  1568.64  101.775 -107.9818 191.5445 
1 1 1    8    6   30 f  1063.25   80.421   18.259   2.6576   19.592   4.9081   17.706   3.1612  1062.36  151.865  1039.15   98.322 23.21313 180.9146 
1 1 1    8    6   32 o  2005.27   88.559   65.050   5.5606   73.310   9.7523   61.071   6.7687  2060.97  152.195  1920.84  113.035 140.1263 189.5789 
1 1 1    8    6   34 o  677.141  135.081   7.9316   2.7637   9.0029   3.7790   6.6998   4.0522  704.170  172.704  604.997  191.146 99.17255 257.6111 
1 1 1    8    6   36 o  670.784  100.076   7.4840   2.0377   5.4329   3.8130   8.3040   2.4108  552.369  186.121  701.689  113.607 -149.3201 218.0542 
1 1 1    8    6   38 o  3863.98  123.925  251.357   14.994  257.542   25.946  248.255   18.372  3609.64  230.767  3764.11  155.874 -154.4705 278.4782 
1 1 1    8    6   40 o  3367.77  108.495  189.341   11.441  229.381   19.992  169.839   13.952  3510.33  182.508  3119.31  142.841 391.0183 231.7605 
1 1 1    8    6   42 o  478.175  183.604   3.8651   3.8609   0.9110   5.2504   7.3433   5.6972  436.791  193.528  596.949  224.470 -160.1583 296.3777 
1 1 1    8    6   44 o  2869.53  259.457  196.954   23.061   0.0000   0.0000  196.954   23.061  ?   ?   2869.53  259.457 0.000000 259.4570 
1 1 1    8    6   46 o  1302.10  289.718   51.780   11.508   0.0000   0.0000   51.780   11.508  ?   ?   1302.10  289.718 0.000000 289.7177 
1 1 1    8    6   48 o  153.152   74.524  -1.6956   1.1418   0.0000   0.0000  -1.6956   1.1418  ?   ?   153.152   74.524 0.000000 74.52373 
1 1 1    8    6   50 o  468.760  159.068   6.0772   2.7853   2.4527   7.2170   6.7116   3.0192  352.221  174.479  481.891  165.582 -129.6695 240.5417 
1 1 1    8    6   52 o  351.559  148.494   3.9986   2.8077   2.5829   7.4784   4.2309   3.0293  314.883  158.972  352.996  151.826 -38.11298 219.8256 
1 1 1    8    6   54 o  311.703  158.526   11.867   8.4648   11.867   8.4648   0.0000   0.0000  311.703  158.526  ?   ?  0.000000 158.5262 
1 1 1    8    6   56 o  250.904  122.163   2.3109   3.0811   10.158   8.4821   1.1180   3.3070  ?   ?   236.773  117.434 0.000000 117.4337 
1 1 1    8    7    1 o  3636.59  144.314  209.120   16.433  185.704   23.255  232.473   23.225  3398.29  219.723  3813.98  195.123 -415.6897 293.8559 
1 1 1    8    7    3 o  3115.94  130.788  153.343   12.761  153.343   12.761   0.0000   0.0000  3115.94  130.788  ?   ?  0.000000 130.7882 
1 1 1    8    7    5 o  1034.27   95.179   16.972   3.0478   16.972   3.0478   0.0000   0.0000  1034.27   95.179  ?   ?  0.000000 95.17911 
1 1 1    8    7    7 o  2026.90  107.000   64.929   6.7670   64.929   6.7670   0.0000   0.0000  2026.90  107.000  ?   ?  0.000000 107.0002 
1 1 1    8    7    9 o  444.689   88.442   3.2199   1.1881   3.7978   1.4714   2.1372   2.0141  482.133  100.715  388.290  135.138 93.84308 168.5398 
1 1 1    8    7   11 o  1308.81   78.837   27.029   3.2158   26.779   3.9497   27.520   5.5388  1300.02   97.743  1310.63  136.990 -10.61108 168.2850 
1 1 1    8    7   13 o  1960.96   74.853   60.467   4.5961   60.555   6.5060   60.379   6.4938  1955.19  106.673  1952.35  106.629 2.842773 150.8266 
1 1 1    8    7   15 o  3312.81   95.596  173.315   9.9164  169.146   14.024  177.483   14.023  3257.78  137.480  3338.52  134.148 -80.73633 192.0847 
1 1 1    8    7   17 o  877.817   93.940   12.330   2.5420   11.341   3.5849   13.331   3.6051  829.684  143.162  904.395  131.130 -74.71088 194.1402 
1 1 1    8    7   19 o  1047.76   66.306   17.376   2.1641   14.787   3.0400   20.036   3.0816  958.535  102.894  1120.89   88.521 -162.3505 135.7322 
1 1 1    8    7   21 o  960.502   66.167   14.635   1.9779   13.785   2.7757   15.512   2.8191  924.993   97.291  982.991   92.684 -57.99780 134.3721 
1 1 1    8    7   23 o  206.980   79.182   0.4672   0.7164   0.4709   0.9539   0.4625   1.0851  228.439   90.234  239.042   95.648 -10.60321 131.4942 
1 1 1    8    7   25 o  1532.08   71.120   37.223   3.4119   38.076   4.7906   36.344   4.8604  1537.01  100.085  1499.74  104.146 37.26965 144.4419 
1 1 1    8    7   27 o  1025.00   71.641   16.786   2.2849   15.511   3.1718   18.162   3.2943  973.601  105.743  1056.30  100.823 -82.69580 146.1053 
1 1 1    8    7   29 o  789.503   91.557   10.185   2.2214   11.318   4.0356   9.6918   2.6607  798.032  166.870  760.866  115.293 37.16608 202.8247 
1 1 1    8    7   31 o  214.131   87.079   0.3206   0.9155   2.1883   2.4700   0.0231   0.9857  395.042  147.946  204.335   87.210 190.7068 171.7368 
1 1 1    8    7   33 o  2044.51  116.597   69.030   7.4335   88.100   10.472   49.664   10.553  2275.46  147.780  1641.26  210.173 634.1991 256.9276 
1 1 1    8    7   35 o  1240.81  128.088   25.875   4.9050   32.358   6.7809   18.761   7.1037  1362.24  162.157  978.209  234.881 384.0276 285.4189 
1 1 1    8    7   37 o  797.132  218.141   12.486   5.6031   12.486   5.6031   0.0000   0.0000  797.132  218.141  ?   ?  0.000000 218.1409 
1 1 1    8    7   39 o  1060.66  217.598   22.246   6.9844   0.0000   0.0000   22.246   6.9844  ?   ?   1060.66  217.598 0.000000 217.5975 
1 1 1    8    7   41 o  903.398  242.517   17.735   7.0043   0.0000   0.0000   17.735   7.0043  ?   ?   903.398  242.517 0.000000 242.5174 
1 1 1    8    7   45 o  629.160  214.529   9.6003   5.0664   5.8789   6.4828   15.440   8.1208  518.192  222.469  702.983  267.145 -184.7906 347.6479 
1 1 1    8    7   47 o  779.132  305.349   32.550   10.845   0.0000   0.0000   32.550   10.845  ?   ?   779.132  305.349 0.000000 305.3486 
1 1 1    8    7   49 o  1230.50  209.084   43.873   7.7678   47.517   10.142   38.701   12.082  961.502  302.213  613.610  280.637 347.8913 412.4191 
1 1 1    8    7   51 o  ?   ?    6.4937   11.995   0.0000   0.0000   6.4937   11.995  ?   ?   ?   ?  0.000000      ? 
1 1 1    8    8    0 o  5740.83  293.056  540.081   52.504  540.081   52.504   0.0000   0.0000  5740.83  293.056  ?   ?  0.000000 293.0558 
1 1 1    8    8    2 o  2097.06  154.529   70.088   10.076   70.088   10.076   0.0000   0.0000  2097.06  154.529  ?   ?  0.000000 154.5293 
1 1 1    8    8    4 o  5075.34  264.347  419.708   41.865  419.708   41.865   0.0000   0.0000  5075.34  264.347  ?   ?  0.000000 264.3471 
1 1 1    8    8    6 o  1751.45  102.500   48.476   5.5968   48.476   5.5968   0.0000   0.0000  1751.45  102.500  ?   ?  0.000000 102.4999 
1 1 1    8    8    8 o  3608.94  142.519  206.419   16.105  193.633   22.780  219.196   22.773  3464.56  210.990  3693.47  197.627 -228.9050 289.0902 
1 1 1    8    8   10 o  768.052   79.150   9.3713   1.8763   10.832   2.3154   6.5778   3.2020  824.556   91.206  630.839  161.432 193.7170 185.4153 
1 1 1    8    8   12 o  1459.94   80.243   33.634   3.6542   33.127   4.4811   34.642   6.3134  1445.77   99.592  1470.46  138.758 -24.69092 170.7987 
1 1 1    8    8   14 o  1936.66   85.891   59.128   5.2086   58.425   6.3732   60.541   9.0385  1918.71  106.497  1940.67  149.902 -21.95239 183.8810 
1 1 1    8    8   16 o  1547.32   82.018   37.891   3.9596   40.301   4.8456   33.048   6.8692  1592.39   97.653  1424.18  156.625 168.2134 184.5736 
1 1 1    8    8   18 o  1346.79   99.349   28.975   4.1601   31.871   5.8408   25.994   5.9266  1401.54  134.753  1257.71  153.687 143.8213 204.3973 
1 1 1    8    8   20 o  2570.30   98.268  105.265   7.9089  106.271   9.6736  103.238   13.735  2571.50  120.139  2491.89  177.183 79.61304 214.0730 
1 1 1    8    8   22 o  1952.67  109.042   61.328   6.6405   63.902   9.2966   58.647   9.4886  1969.13  151.951  1879.05  162.878 90.08459 222.7521 
1 1 1    8    8   24 o  374.258   99.133   2.3231   1.1802   1.8070   1.3080   4.5833   2.7372  338.510  108.776  521.605  155.717 -183.0948 189.9468 
1 1 1    8    8   26 o  2257.05  113.798   82.855   8.0167   73.964   11.243   92.050   11.434  2080.93  174.144  2340.66  156.919 -259.7332 234.4129 
1 1 1    8    8   28 f  321.256  105.313   1.6261   1.2227   2.2353   1.3383  -1.4507   3.0074  367.128  108.717  309.875  141.058 57.25238 178.0923 
1 1 1    8    8   30 o  758.804  142.152   9.9330   3.2534   6.9107   4.9291   12.266   4.3308  619.171  211.601  828.957  172.462 -209.7861 272.9795 
1 1 1    8    8   32 o  1558.48  111.627   39.889   5.4113   49.808   7.8065   30.715   7.5076  1714.11  146.865  1312.11  188.114 401.9960 238.6547 
1 1 1    8    8   34 o  909.285  187.876   14.969   5.1723   0.0000   0.0000   14.969   5.1723  ?   ?   909.285  187.876 0.000000 187.8759 
1 1 1    8    8   36 f  531.484  212.318   3.9469   5.3371   0.0000   0.0000   3.9469   5.3371  ?   ?   531.484  212.318 0.000000 212.3184 
1 1 1    8    8   38 o  925.873  231.096   17.246   6.6787   0.0000   0.0000   17.246   6.6787  ?   ?   925.873  231.096 0.000000 231.0959 
1 1 1    8    8   40 o  1312.94  136.747   29.845   5.5394   27.173   7.7123   32.691   7.9614  1172.08  218.167  1307.68  200.857 -135.5996 296.5475 
1 1 1    8    8   42 o  283.322  137.118  -4.8508   3.7322  -9.9106   5.0353   1.3185   5.5600  290.320  144.147  455.484  200.611 -165.1639 247.0289 
1 1 1    8    8   44 o  2111.66  142.973   81.550   9.3979   98.226   12.934   62.901   13.678  2203.82  189.270  1547.01  293.097 656.8031 348.8968 
1 1 1    8    8   46 o  1494.78  168.027   47.027   7.7282   52.326   9.9547   38.987   12.261  1435.63  229.152  896.660  330.837 538.9717 402.4474 
1 1 1    8    8   48 o  426.754  195.418   5.3938   5.8833   6.5040   7.0838   2.9249   10.563  437.193  205.016  408.710  203.873 28.48309 289.1290 
1 1 1    8    8   50 o  469.632  220.595   16.317   8.2597   16.317   8.2597   0.0000   0.0000  469.632  220.595  ?   ?  0.000000 220.5950 
1 1 1    8    8   52 o  386.099  190.283   14.351   8.2013   14.351   8.2013   0.0000   0.0000  386.099  190.283  ?   ?  0.000000 190.2826 
1 1 1    8    8   54 o  ?   ?    1.6760   8.3694   1.6760   8.3694   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    8    9    1 o  5189.50  184.786  429.192   30.027  461.831   42.473  396.579   42.456  5341.60  253.937  4928.41  276.228 413.1938 375.2146 
1 1 1    8    9    3 o  3886.91  148.983  239.360   18.133  226.383   25.635  252.354   25.651  3748.45  219.363  3964.12  207.376 -215.6790 301.8693 
1 1 1    8    9    5 o  1999.73  106.076   63.177   6.6183   67.627   9.3802   58.766   9.3394  2060.99  146.301  1918.06  156.877 142.9301 214.5099 
1 1 1    8    9    7 o  2024.16  153.488   65.412   9.6559   0.0000   0.0000   65.412   9.6559  ?   ?   2024.16  153.488 0.000000 153.4881 
1 1 1    8    9    9 o  3322.89  134.806  174.965   14.026  185.413   19.849  164.545   19.823  3397.00  187.334  3194.20  199.187 202.7981 273.4398 
1 1 1    8    9   11 o  1391.56   80.066   30.566   3.4740   32.416   4.2607   26.898   6.0003  1430.75   95.656  1291.08  151.292 139.6639 178.9954 
1 1 1    8    9   13 o  1154.42   96.945   21.196   3.4719   22.657   4.9196   19.746   4.9005  1185.49  134.935  1103.07  145.425 82.42126 198.3830 
1 1 1    8    9   15 o  2030.78  108.334   65.653   6.8640   65.653   6.8640   0.0000   0.0000  2030.78  108.334  ?   ?  0.000000 108.3344 
1 1 1    8    9   17 o  1921.57   86.848   58.451   5.2255   61.212   6.3993   52.926   9.0527  1958.90  104.707  1797.49  162.601 161.4149 193.3979 
1 1 1    8    9   19 o  866.698   98.491   12.102   2.6254   12.107   3.6375   12.097   3.7931  854.823  140.802  852.302  147.469 2.520325 203.8926 
1 1 1    8    9   21 o  1531.95   84.137   37.347   4.0205   37.388   4.8856   37.261   7.0766  1526.77  102.793  1503.05  152.470 23.71741 183.8846 
1 1 1    8    9   23 o  1448.62   82.069   33.439   3.7074   33.042   4.4715   34.312   6.6310  1433.85  100.225  1439.25  149.310 -5.406128 179.8289 
1 1 1    8    9   25 o  750.836  109.869   9.2748   2.5067   9.2748   2.5067   0.0000   0.0000  750.836  109.869  ?   ?  0.000000 109.8694 
1 1 1    8    9   27 o  1025.15   85.440   16.938   2.7176   17.566   3.2454   15.464   4.9718  1038.28  101.107  937.985  175.735 100.2916 202.7449 
1 1 1    8    9   29 o  488.066  122.624   4.0650   1.8716   4.2797   2.2066   3.5145   3.5335  498.876  137.049  482.111  177.652 16.76514 224.3714 
1 1 1    8    9   31 o  1256.35  119.682   26.073   4.6513   36.038   6.2543   13.741   6.9577  1466.83  137.786  839.815  247.673 627.0200 283.4193 
1 1 1    8    9   33 o  1161.42  171.552   23.505   6.0510   0.0000   0.0000   23.505   6.0510  ?   ?   1161.42  171.552 0.000000 171.5521 
1 1 1    8    9   35 o  1108.02  128.837   20.595   4.3865   18.611   6.4853   22.267   5.9554  997.450  214.053  1122.95  175.079 -125.4998 276.5351 
1 1 1    8    9   37 o  780.723  235.175   12.184   6.2228   0.0000   0.0000   12.184   6.2228  ?   ?   780.723  235.175 0.000000 235.1749 
1 1 1    8    9   39 o  524.375  219.219   3.4043   6.0201   0.0000   0.0000   3.4043   6.0201  ?   ?   524.375  219.219 0.000000 219.2188 
1 1 1    8    9   41 o  686.308  188.113   9.0951   4.1628   11.525   6.0666   6.9330   5.7227  737.909  233.957  599.696  225.076 138.2128 324.6466 
1 1 1    8    9   43 o  504.134  212.091   3.9858   5.6908   3.9858   5.6908   0.0000   0.0000  504.134  212.091  ?   ?  0.000000 212.0906 
1 1 1    8    9   45 o  528.622  225.174   6.9217   6.5482   6.9217   6.5482   0.0000   0.0000  528.622  225.174  ?   ?  0.000000 225.1743 
1 1 1    8    9   47 o  750.077  271.561   23.271   8.2046   23.271   8.2046   0.0000   0.0000  750.077  271.561  ?   ?  0.000000 271.5608 
1 1 1    8    9   49 o  493.276  225.411   13.910   7.7737   13.910   7.7737   0.0000   0.0000  493.276  225.411  ?   ?  0.000000 225.4113 
1 1 1    8    9   51 f  333.096  165.305   1.9633   6.5906   1.9285   7.7966   2.0504   12.336  336.079  168.727  ?   ?  0.000000 168.7271 
1 1 1    8    9   53 o  ?   ?   -3.6951   6.7919  -4.0481   8.1452  -2.8893   12.304  ?   ?   ?   ?  0.000000      ? 
1 1 1    8    9   55 f  ?   ?    7.2881   9.1272   7.2881   9.1272   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    8   10    0 o  3699.83  144.486  216.686   16.739  214.524   23.668  218.848   23.676  3654.60  207.683  3692.27  205.603 -37.67578 292.2413 
1 1 1    8   10    2 o  6393.95  218.641  656.717   43.774  747.747   61.923  565.784   61.890  6755.17  292.750  5822.00  340.979 933.1665 449.4095 
1 1 1    8   10    4 o  1122.79   97.247   19.990   3.3852   20.668   4.8327   19.337   4.7433  1134.54  138.939  1096.34  141.471 38.20447 198.2885 
1 1 1    8   10    6 o  4074.70  154.676  263.772   19.735  272.910   27.914  254.640   27.904  4110.32  217.661  3965.40  225.667 144.9148 313.5320 
1 1 1    8   10    8 o  914.096   99.929   13.325   2.8136   10.266   4.0253   16.247   3.9345  787.737  168.301  1005.29  127.885 -217.5542 211.3759 
1 1 1    8   10   10 o  1009.26   97.301   16.214   3.0368   16.077   4.2955   16.352   4.2940  995.844  141.756  1004.80  140.306 -8.960205 199.4506 
1 1 1    8   10   12 o  829.541  100.285   11.033   2.5520   10.704   3.5926   11.368   3.6258  806.379  147.728  832.432  144.336 -26.05231 206.5342 
1 1 1    8   10   14 o  816.441  101.355   10.719   2.5354   11.720   3.5817   9.7147   3.5895  844.869  140.310  763.854  155.363 81.01489 209.3429 
1 1 1    8   10   16 o  1262.62   80.581   25.290   3.1692   27.033   3.8670   21.722   5.5309  1302.24   95.501  1148.10  158.041 154.1422 184.6548 
1 1 1    8   10   18 o  1194.78   81.541   22.690   3.0324   23.424   3.6917   21.168   5.3167  1209.98   98.287  1132.19  153.965 77.79822 182.6627 
1 1 1    8   10   20 o  1160.00  101.555   21.607   3.6516   23.521   5.0318   19.478   5.3074  1199.06  136.449  1080.32  161.883 118.7408 211.7171 
1 1 1    8   10   22 o  311.263  107.356   1.4191   1.2698   0.9490   1.4284   3.1889   2.7718  291.565  111.744  457.927  158.578 -166.3622 193.9942 
1 1 1    8   10   24 o  537.097  114.514   4.8242   1.8671   2.5227   2.2643   9.7129   3.3001  410.092  143.252  757.839  144.340 -347.7469 203.3595 
1 1 1    8   10   26 o  1732.75  151.374   50.401   8.1306   50.401   8.1306   0.0000   0.0000  1732.75  151.374  ?   ?  0.000000 151.3744 
1 1 1    8   10   28 o  665.494  113.699   7.3859   2.2842   5.5771   2.7898   11.064   3.9785  566.758  153.441  795.847  165.064 -229.0897 225.3666 
1 1 1    8   10   30 o  1025.18   92.460   17.000   2.9361   17.381   3.4617   16.023   5.5429  1030.41  108.941  946.988  193.464 83.42676 222.0284 
1 1 1    8   10   32 o  1936.21  121.706   61.503   7.3412   73.220   10.079   48.265   10.714  2083.80  155.599  1639.06  213.846 444.7310 264.4639 
1 1 1    8   10   34 o  958.287  189.544   16.455   5.4861   0.0000   0.0000   16.455   5.4861  ?   ?   958.287  189.544 0.000000 189.5445 
1 1 1    8   10   36 o  2597.94  133.028  112.905   10.785  132.309   15.179   93.117   15.328  2745.74  177.494  2236.19  221.833 509.5422 284.1024 
1 1 1    8   10   38 o  1350.33  129.684   30.794   5.4159   40.930   7.7682   21.208   7.5547  1525.24  165.301  1032.09  238.547 493.1508 290.2222 
1 1 1    8   10   40 o  473.214  201.998   1.9254   5.2898   1.9254   5.2898   0.0000   0.0000  473.214  201.998  ?   ?  0.000000 201.9980 
1 1 1    8   10   42 o  414.618  189.284  -0.8294   5.4649  -0.8294   5.4649   0.0000   0.0000  414.618  189.284  ?   ?  0.000000 189.2842 
1 1 1    8   10   44 o  961.367  259.107   23.932   7.9765   23.932   7.9765   0.0000   0.0000  961.367  259.107  ?   ?  0.000000 259.1074 
1 1 1    8   10   46 o  1140.64  210.414   31.754   7.2383   29.608   8.9555   35.797   12.293  919.071  283.198  805.791  322.108 113.2798 428.8996 
1 1 1    8   10   48 o  662.284  244.901   17.778   6.7259   11.699   8.1055   31.220   12.052  492.976  227.076  608.662  279.077 -115.6864 359.7877 
1 1 1    8   10   50 o  794.624  265.856   30.986   7.7793   32.366   9.4119   28.010   13.820  647.202  272.543  450.558  225.986 196.6439 354.0471 
1 1 1    8   10   52 o  ?   ?   -6.8197   6.4889  -9.1207   7.5453  -0.2850   12.716  ?   ?   ?   ?  0.000000      ? 
1 1 1    8   10   54 o  ?   ?   -7.6860   8.0699  -7.6860   8.0699   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    8   11    1 o  6870.19  237.311  762.851   51.051  740.635   72.189  785.076   72.205  6643.37  348.240  6862.42  336.026 -219.0527 483.9259 
1 1 1    8   11    3 o  4389.52  163.071  306.510   22.414  322.683   31.706  290.353   31.689  4465.32  227.515  4227.14  240.408 238.1880 330.9966 
1 1 1    8   11    5 o  4006.01  220.953  259.991   27.609   0.0000   0.0000  259.991   27.609  ?   ?   4006.01  220.953 0.000000 220.9527 
1 1 1    8   11    7 o  1591.37  145.255   40.587   7.1582   0.0000   0.0000   40.587   7.1582  ?   ?   1591.37  145.255 0.000000 145.2549 
1 1 1    8   11    9 o  183.113   82.412  -0.5005   0.9921  -2.0035   1.4663   0.7685   1.3473  186.502   89.142  278.200  108.012 -91.69763 140.0456 
1 1 1    8   11   11 o  2069.69  109.269   68.064   7.0563   68.742   9.9816   67.386   9.9767  2064.67  155.538  2043.49  157.122 21.17749 221.0870 
1 1 1    8   11   13 f  967.386  145.354   15.327   4.2668   15.327   4.2668   0.0000   0.0000  967.386  145.354  ?   ?  0.000000 145.3544 
1 1 1    8   11   15 o  246.005  106.266  -0.1524   1.4969   4.5976   3.0333  -1.6817   1.7211  531.771  164.976  217.030  101.544 314.7413 193.7220 
1 1 1    8   11   17 o  1127.55  104.849   20.398   3.6594   20.146   5.4409   20.607   4.9449  1102.35  162.503  1121.57  144.140 -19.21399 217.2182 
1 1 1    8   11   19 o  1727.65  154.186   48.909   8.2534   0.0000   0.0000   48.909   8.2534  ?   ?   1727.65  154.186 0.000000 154.1864 
1 1 1    8   11   21 o  1364.40  102.858   29.888   4.3621   31.091   5.9936   28.533   6.3605  1377.11  140.984  1311.16  158.115 65.94482 211.8413 
1 1 1    8   11   23 o  1383.39  107.711   30.917   4.6289   35.417   6.3152   25.692   6.8049  1466.59  139.185  1225.20  182.984 241.3898 229.9030 
1 1 1    8   11   25 o  852.825   98.292   11.817   2.5767   13.311   3.0772   8.3110   4.7140  901.346  111.399  683.338  204.428 218.0078 232.8104 
1 1 1    8   11   27 o  611.155  129.318   6.3251   2.3975   6.3251   2.3975   0.0000   0.0000  611.155  129.318  ?   ?  0.000000 129.3175 
1 1 1    8   11   29 o  810.561   94.873   10.666   2.3624   11.105   2.7486   9.4242   4.6219  822.624  109.420  725.754  197.919 96.86981 226.1514 
1 1 1    8   11   31 o  2306.96  130.649   87.395   9.3988  106.583   13.002   66.395   13.602  2512.97  166.175  1917.93  231.152 595.0383 284.6852 
1 1 1    8   11   33 o  1190.26   92.506   22.864   3.4206   23.926   4.0174   20.063   6.5223  1211.77  106.977  1056.24  204.598 155.5361 230.8773 
1 1 1    8   11   35 o  1492.27  184.734   39.224   8.4475   39.224   8.4475   0.0000   0.0000  1492.27  184.734  ?   ?  0.000000 184.7338 
1 1 1    8   11   37 o  2631.69  199.152  125.098   16.290  125.098   16.290   0.0000   0.0000  2631.69  199.152  ?   ?  0.000000 199.1522 
1 1 1    8   11   39 o  824.970  235.283   13.667   6.3752   13.667   6.3752   0.0000   0.0000  824.970  235.283  ?   ?  0.000000 235.2830 
1 1 1    8   11   41 o  1055.59  161.722   20.121   5.1751   25.610   7.1954   14.238   7.4485  1146.49  208.098  796.544  259.875 349.9429 332.9258 
1 1 1    8   11   43 o  550.276  230.604   6.0633   6.6853   6.0633   6.6853   0.0000   0.0000  550.276  230.604  ?   ?  0.000000 230.6044 
1 1 1    8   11   45 o  725.721  232.439   14.331   5.9765   21.595   7.2309  -1.3296   10.617  878.568  250.577  451.849  221.445 426.7188 334.4055 
1 1 1    8   11   47 o  540.019  225.574   10.427   6.3668   13.982   7.6820   2.6286   11.378  573.940  244.171  434.586  215.931 139.3540 325.9535 
1 1 1    8   11   49 o  429.651  216.096   12.714   13.110   0.0000   0.0000   12.714   13.110  ?   ?   429.651  216.096 0.000000 216.0960 
1 1 1    8   11   51 o  ?   ?    3.4200   13.803   0.0000   0.0000   3.4200   13.803  ?   ?   ?   ?  0.000000      ? 
1 1 1    8   11   53 o  ?   ?    24.800   15.616   0.0000   0.0000   24.800   15.616  ?   ?   ?   ?  0.000000      ? 
1 1 1    8   12    0 o  2834.40  177.892  128.829   15.708   0.0000   0.0000  128.829   15.708  ?   ?   2834.40  177.892 0.000000 177.8916 
1 1 1    8   12    2 o  2095.42  109.265   69.488   7.1443   71.599   10.128   67.397   10.079  2116.10  153.904  2051.56  158.124 64.54639 220.6572 
1 1 1    8   12    4 o  2946.95  126.679  137.581   11.689  139.330   16.543  135.837   16.520  2942.81  180.398  2904.63  182.565 38.18335 256.6581 
1 1 1    8   12    6 o  2024.71  108.079   64.975   6.8273   64.842   9.6420   65.108   9.6684  2009.99  154.379  2014.10  154.483 -4.110718 218.3982 
1 1 1    8   12    8 o  2376.44  167.527   91.135   12.386   91.135   12.386   0.0000   0.0000  2376.44  167.527  ?   ?  0.000000 167.5265 
1 1 1    8   12   10 o  1974.62  104.516   61.915   6.4392   73.558   9.2701   51.059   8.9512  2141.63  138.988  1774.39  162.927 367.2416 214.1563 
1 1 1    8   12   12 o  1053.64  145.480   18.125   4.6716   0.0000   0.0000   18.125   4.6716  ?   ?   1053.64  145.480 0.000000 145.4798 
1 1 1    8   12   14 o  468.691  148.721   3.4952   2.4510   0.0000   0.0000   3.4952   2.4510  ?   ?   468.691  148.721 0.000000 148.7209 
1 1 1    8   12   16 o  472.027  152.303   3.5259   2.5623   0.0000   0.0000   3.5259   2.5623  ?   ?   472.027  152.303 0.000000 152.3031 
1 1 1    8   12   18 o  472.192  164.754   3.3118   2.9946   0.0000   0.0000   3.3118   2.9946  ?   ?   472.192  164.754 0.000000 164.7541 
1 1 1    8   12   20 o  777.966  130.615   10.004   3.0690   8.5036   4.4425   11.373   4.2448  702.094  195.077  817.537  171.301 -115.4429 259.6130 
1 1 1    8   12   22 o  1268.64  111.059   26.036   4.3673   32.858   6.3394   19.874   6.0252  1410.90  145.586  1076.01  185.529 334.8882 235.8307 
1 1 1    8   12   24 o  236.752   99.257   0.1734   1.2394  -0.1855   1.3554   2.0042   3.0615  231.042  100.459  417.777  162.648 -186.7349 191.1705 
1 1 1    8   12   26 o  2220.05   87.975   78.638   6.1156   76.148   7.3546   84.218   11.010  2174.29  108.025  2247.04  157.469 -72.74878 190.9602 
1 1 1    8   12   28 o  605.855  146.510   6.2649   2.7489   6.2649   2.7489   0.0000   0.0000  605.855  146.510  ?   ?  0.000000 146.5100 
1 1 1    8   12   30 o  2292.99   92.090   84.002   6.6120   84.002   6.6120   0.0000   0.0000  2292.99   92.090  ?   ?  0.000000 92.08984 
1 1 1    8   12   32 o  1328.69  115.533   28.803   4.7588   28.803   4.7588   0.0000   0.0000  1328.69  115.533  ?   ?  0.000000 115.5325 
1 1 1    8   12   34 o  2446.48  116.198   97.506   8.9014   97.506   8.9014   0.0000   0.0000  2446.48  116.198  ?   ?  0.000000 116.1982 
1 1 1    8   12   36 o  2496.87  102.621  101.074   8.0232  107.104   9.5406   86.509   14.828  2554.97  119.255  2172.59  221.037 382.3765 251.1552 
1 1 1    8   12   38 o  990.304  171.152   17.373   5.1153   22.098   6.6547   10.550   7.9970  1096.72  201.199  731.950  267.628 364.7657 334.8215 
1 1 1    8   12   40 o  3035.73  146.019  158.647   13.880  198.007   19.594  118.999   19.665  3283.60  191.396  2384.76  267.993 898.8376 329.3217 
1 1 1    8   12   42 o  1674.03  138.385   49.619   7.1888   55.148   10.099   43.938   10.236  1672.64  196.565  1430.72  236.761 241.9229 307.7227 
1 1 1    8   12   44 o  948.122  319.005   32.272   11.201   0.0000   0.0000   32.272   11.201  ?   ?   948.122  319.005 0.000000 319.0049 
1 1 1    8   12   46 o  384.430  194.408 -12.7018   11.525   0.0000   0.0000 -12.7018   11.525  ?   ?   384.430  194.408 0.000000 194.4078 
1 1 1    8   12   48 o  505.260  224.076   10.761   7.0549   14.684   8.3284   0.7933   13.275  536.044  240.207  411.816  208.292 124.2275 317.9388 
1 1 1    8   12   50 o  ?   ?   -4.0181   13.904   0.0000   0.0000  -4.0181   13.904  ?   ?   ?   ?  0.000000      ? 
1 1 1    8   12   52 o  ?   ?   -7.0866   6.8441 -12.9043   7.6531   16.148   15.294  ?   ?   ?   ?  0.000000      ? 
1 1 1    8   13    1 o  1910.71  151.984   58.549   9.0179   0.0000   0.0000   58.549   9.0179  ?   ?   1910.71  151.984 0.000000 151.9841 
1 1 1    8   13    3 o  2497.41  113.510   98.702   8.8765  115.108   12.654   82.806   12.455  2681.91  151.299  2263.90  177.111 418.0137 232.9369 
1 1 1    8   13    5 o  1316.85   98.519   27.535   4.0329   34.623   5.9535   21.524   5.4823  1470.35  130.673  1150.18  156.267 320.1648 203.7030 
1 1 1    8   13    7 o  389.030  139.194   2.0692   2.1483   0.0000   0.0000   2.0692   2.1483  ?   ?   389.030  139.194 0.000000 139.1942 
1 1 1    8   13    9 o  2042.36  156.836   67.378   9.9533   0.0000   0.0000   67.378   9.9533  ?   ?   2042.36  156.836 0.000000 156.8363 
1 1 1    8   13   11 o  2477.43  169.399   99.664   13.062   0.0000   0.0000   99.664   13.062  ?   ?   2477.43  169.399 0.000000 169.3992 
1 1 1    8   13   13 o  410.962  146.351   2.3606   2.3723   0.0000   0.0000   2.3606   2.3723  ?   ?   410.962  146.351 0.000000 146.3510 
1 1 1    8   13   15 o  1138.34  106.462   20.763   3.7507   24.943   5.6908   17.553   4.9871  1235.66  150.168  1030.73  159.686 204.9261 219.2034 
1 1 1    8   13   17 o  1337.35  110.121   28.684   4.5704   27.365   6.5528   29.933   6.3777  1286.65  166.558  1351.69  153.402 -65.03467 226.4372 
1 1 1    8   13   19 o  613.797  146.660   6.3464   2.7802   7.4838   4.0712   5.3526   3.8058  662.122  187.737  572.904  185.695 89.21808 264.0602 
1 1 1    8   13   23 f  908.291  145.441   13.791   3.9969   13.444   5.3638   14.224   5.9933  874.449  200.210  893.020  216.564 -18.57147 294.9310 
1 1 1    8   13   29 o  1427.42   84.368   32.495   3.7542   32.495   3.7542   0.0000   0.0000  1427.42   84.368  ?   ?  0.000000 84.36787 
1 1 1    8   13   31 o  693.424  116.345   7.9579   2.4367   8.7392   2.7269   4.8626   5.4280  724.784  124.651  579.627  218.854 145.1566 251.8629 
1 1 1    8   13   33 o  2005.09   99.426   64.611   6.2424   76.721   7.4692   36.559   11.368  2176.19  109.969  1383.79  272.061 792.3966 293.4459 
1 1 1    8   13   35 o  1070.42  105.271   18.692   3.4828   21.047   3.8919   9.2249   7.8033  1133.91  111.041  717.542  264.062 416.3639 286.4591 
1 1 1    8   13   37 o  2226.81  104.177   80.454   7.2640   85.884   8.5555   66.431   13.749  2285.03  119.994  1881.77  238.703 403.2650 267.1661 
1 1 1    8   13   39 o  1163.33  113.180   22.481   4.0706   20.821   4.8328   26.533   7.5514  1100.44  143.684  1188.44  210.636 -87.99341 254.9758 
1 1 1    8   13   41 o  514.196  222.260   3.0530   6.5570   0.0000   0.0000   3.0530   6.5570  ?   ?   514.196  222.260 0.000000 222.2605 
1 1 1    8   13   43 o  486.306  217.694   3.0423   6.8217   3.0423   6.8217   0.0000   0.0000  486.306  217.694  ?   ?  0.000000 217.6942 
1 1 1    8   13   45 o  460.536  205.572   3.9401   6.0370   7.8677   7.1072  -6.2364   11.440  531.357  230.536  428.670  213.562 102.6876 314.2537 
1 1 1    8   13   47 o  322.050  159.644  -5.9518   6.0805  -4.5847   6.9898 -10.2046   12.328  351.055  173.505  388.466  196.931 -37.41083 262.4611 
1 1 1    8   13   49 o  341.871  169.165  -2.3129   6.7155  -6.4469   7.7711   9.8789   13.345  329.978  166.018  428.530  215.855 -98.55185 272.3141 
1 1 1    8   13   51 o  353.957  175.691   2.6033   7.4588   6.9158   8.5506 -11.1238   15.255  381.765  189.257  ?   ?  0.000000 189.2571 
1 1 1    8   14    0 o  2293.93  107.725   83.224   7.7377  102.910   11.079   64.478   10.811  2538.42  139.927  1995.76  174.765 542.6527 223.8803 
1 1 1    8   14    2 o  855.796  148.980   12.014   3.8472   0.0000   0.0000   12.014   3.8472  ?   ?   855.796  148.980 0.000000 148.9795 
1 1 1    8   14    4 o  1568.56  146.874   39.622   7.1298   0.0000   0.0000   39.622   7.1298  ?   ?   1568.56  146.874 0.000000 146.8740 
1 1 1    8   14    6 o  2230.30  162.260   80.283   11.254   0.0000   0.0000   80.283   11.254  ?   ?   2230.30  162.260 0.000000 162.2597 
1 1 1    8   14    8 o  325.845  124.798   1.1586   1.7809   0.7245   3.3685   1.3271   2.0982  397.054  164.814  351.449  135.251 45.60486 213.2053 
1 1 1    8   14   10 o  1055.87  104.520   17.826   3.4103   22.264   5.1989   14.475   4.5181  1171.03  144.875  936.700  159.775 234.3281 215.6773 
1 1 1    8   14   12 f  905.718  114.489   13.234   3.1744   12.260   4.8970   13.940   4.1690  852.127  188.525  920.854  149.729 -68.72626 240.7500 
1 1 1    8   14   14 o  823.023  119.640   11.008   2.9929   15.424   4.5836   7.7257   3.9517  966.478  156.836  676.769  182.362 289.7092 240.5275 
1 1 1    8   14   16 o  2097.49  117.271   70.423   7.6712   74.968   10.742   65.694   10.959  2143.80  161.203  1997.85  177.011 145.9543 239.4147 
1 1 1    8   14   18 o  716.765  157.176   8.6661   3.4304   7.1867   4.4916   10.737   5.3142  652.885  200.459  786.087  211.335 -133.2027 291.2839 
1 1 1    8   14   20 o  473.164  187.199   2.3464   4.1118   2.3464   4.1118   0.0000   0.0000  473.164  187.199  ?   ?  0.000000 187.1987 
1 1 1    8   14   26 o  1574.48  118.462   40.013   5.7975   40.989   8.1996   39.036   8.1981  1569.70  169.515  1528.93  174.360 40.77271 243.1807 
1 1 1    8   14   28 o  1087.24  192.144   20.270   6.3021   0.0000   0.0000   20.270   6.3021  ?   ?   1087.24  192.144 0.000000 192.1436 
1 1 1    8   14   30 o  1185.69  132.084   23.069   4.8205   28.505   6.8167   17.631   6.8178  1300.39  171.603  993.148  224.511 307.2426 282.5826 
1 1 1    8   14   32 o  1906.75   75.647   57.697   4.5165   63.249   5.1009   37.548   9.7175  1994.16   81.690  1456.41  219.938 537.7466 234.6190 
1 1 1    8   14   34 o  1926.99  105.924   60.024   6.3668   69.028   7.5084   36.983   12.011  2059.91  116.890  1378.98  287.491 680.9310 310.3459 
1 1 1    8   14   36 o  1183.92  100.725   22.751   3.6985   23.876   4.0857   17.643   8.7043  1209.42  109.062  940.700  276.906 268.7152 297.6101 
1 1 1    8   14   38 o  241.293  104.299  -0.0802   1.4439  -0.0240   1.4693  -1.6639   7.8044  245.613  105.690  496.682  226.536 -251.0691 249.9777 
1 1 1    8   14   40 o  709.821  124.870   8.7068   2.6741   8.5028   2.9015   9.8571   6.8896  694.238  138.332  685.018  248.720 9.220154 284.6003 
1 1 1    8   14   42 o  909.521  198.554   16.982   5.4960   16.946   7.9366   17.016   7.6183  806.712  268.501  819.716  262.420 -13.00403 375.4427 
1 1 1    8   14   44 f  1483.88  179.584   45.435   8.1743   52.258   10.381   34.302   13.260  1486.02  230.581  863.434  337.847 622.5844 409.0332 
1 1 1    8   14   46 o  408.175  192.790   0.8600   6.4675  -1.1436   7.5134   6.5917   12.708  401.832  194.492  491.267  241.066 -89.43536 309.7418 
1 1 1    8   14   48 o  950.182  269.195   32.317   8.3742   27.123   10.060   44.037   15.111  682.459  284.182  654.565  304.463 27.89398 416.4823 
1 1 1    8   14   50 o  485.885  243.625   35.622   15.995   0.0000   0.0000   35.622   15.995  ?   ?   485.885  243.625 0.000000 243.6247 
1 1 1    8   15    3 o  2478.80  113.715   97.336   8.8263  113.355   12.636   82.074   12.334  2658.59  152.426  2251.51  176.358 407.0850 233.1006 
1 1 1    8   15    5 o  2646.27  119.275  111.101   9.8833  122.855   14.076   99.672   13.880  2762.35  163.465  2479.80  179.983 282.5505 243.1346 
1 1 1    8   15    7 o  2756.08  119.957  120.595   10.352  138.840   14.789  103.066   14.496  2936.70  161.449  2517.83  185.167 418.8616 245.6677 
1 1 1    8   15    9 o  2463.64  118.245   96.396   9.1217   84.256   12.794  108.947   13.009  2275.22  181.084  2599.01  160.635 -323.7925 242.0645 
1 1 1    8   15   11 o  2723.61  124.719  118.143   10.636  108.114   14.963  128.387   15.123  2572.39  187.042  2812.80  172.536 -240.4045 254.4673 
1 1 1    8   15   13 o  1606.79  113.540   41.250   5.6757   36.986   7.8196   45.998   8.2512  1502.58  169.140  1681.71  158.564 -179.1392 231.8423 
1 1 1    8   15   15 o  1174.00  171.814   22.863   6.1291   22.863   6.1291   0.0000   0.0000  1174.00  171.814  ?   ?  0.000000 171.8143 
1 1 1    8   15   17 o  600.914  197.284   5.8470   4.2901   5.8470   4.2901   0.0000   0.0000  600.914  197.284  ?   ?  0.000000 197.2840 
1 1 1    8   15   19 o  1023.15  181.752   17.704   5.6096   17.704   5.6096   0.0000   0.0000  1023.15  181.752  ?   ?  0.000000 181.7518 
1 1 1    8   15   21 o  841.093  159.364   11.873   4.0435   17.032   5.3789   5.1692   6.1314  1004.66  177.475  614.617  232.473 390.0443 292.4742 
1 1 1    8   15   23 o  1284.44  122.447   26.663   4.8650   32.306   6.8281   20.845   6.9336  1401.08  158.423  1101.52  208.664 299.5604 261.9890 
1 1 1    8   15   25 o  1180.75  102.690   22.353   3.7589   22.629   4.5870   21.790   6.5586  1181.19  125.963  1134.10  191.510 47.08777 229.2219 
1 1 1    8   15   27 o  1973.85  119.873   62.695   7.3738   88.573   10.399   36.525   10.458  2334.50  142.949  1444.99  239.514 889.5129 278.9284 
1 1 1    8   15   29 o  1040.06  112.889   17.531   3.6174   16.802   4.3531   19.156   6.5027  1008.27  141.801  1050.58  205.035 -42.30414 249.2921 
1 1 1    8   15   31 o  659.685  187.638   7.5330   4.0603   2.5425   5.7392   12.534   5.7450  530.364  217.118  838.578  217.094 -308.2139 307.0345 
1 1 1    8   15   33 o  1424.43  213.921   35.654   9.2466   0.0000   0.0000   35.654   9.2466  ?   ?   1424.43  213.921 0.000000 213.9209 
1 1 1    8   15   35 o  645.669  159.484   7.2174   3.2054   7.0431   3.5097   8.0938   7.8700  635.331  172.142  699.352  263.655 -64.02100 314.8760 
1 1 1    8   15   37 o  1608.24  104.467   42.094   5.2323   46.751   5.9633   26.516   10.907  1689.57  113.374  1120.55  303.392 569.0261 323.8838 
1 1 1    8   15   39 o  1139.01  115.269   21.722   4.0545   25.291   4.4197   2.7633   10.186  1229.08  116.218  592.706  265.621 636.3781 289.9332 
1 1 1    8   15   41 o  833.512  121.297   12.077   3.0729   12.168   3.3433   11.581   7.7995  828.463  133.411  693.261  262.202 135.2011 294.1908 
1 1 1    8   15   43 o  295.170  117.860   1.0272   1.6438   0.6435   1.6714   12.356   9.0816  279.474  116.059  645.504  269.503 -366.0298 293.4305 
1 1 1    8   15   45 o  828.350  343.269   39.565   14.577   0.0000   0.0000   39.565   14.577  ?   ?   828.350  343.269 0.000000 343.2693 
1 1 1    8   15   47 o  498.938  247.214   11.763   14.519   0.0000   0.0000   11.763   14.519  ?   ?   498.938  247.214 0.000000 247.2142 
1 1 1    8   15   49 o  352.106  174.898  -3.1195   7.4431  -5.3276   8.5817   3.5851   14.954  352.505  176.980  418.724  212.735 -66.21848 276.7278 
1 1 1    8   16    0 o  1207.62  102.541   23.202   3.8408   30.645   5.7580   17.236   5.1552  1381.94  134.780  1024.79  166.362 357.1553 214.1072 
1 1 1    8   16    2 o  357.854  132.916   1.5787   1.9855   3.2160   3.5673   0.8438   2.3899  490.737  178.850  348.455  141.058 142.2816 227.7821 
1 1 1    8   16    4 o  916.929  125.493   13.588   3.5085   13.606   4.9959   13.571   4.9283  903.425  182.881  902.803  180.643 0.6227417 257.0556 
1 1 1    8   16    6 o  2491.72  120.601   98.545   9.4095   99.209   13.317   97.883   13.297  2476.94  172.783  2459.82  173.758 17.12183 245.0423 
1 1 1    8   16    8 o  618.811  155.134   6.3756   3.0003   3.6904   4.3047   8.9123   4.1839  529.901  195.928  728.377  183.526 -198.4755 268.4581 
1 1 1    8   16   10 o  1109.81  174.156   20.346   5.8528   20.346   5.8528   0.0000   0.0000  1109.81  174.156  ?   ?  0.000000 174.1557 
1 1 1    8   16   12 o  1171.95  173.374   22.701   6.1702   22.701   6.1702   0.0000   0.0000  1171.95  173.374  ?   ?  0.000000 173.3735 
1 1 1    8   16   14 o  1125.07  176.484   21.056   6.0128   21.056   6.0128   0.0000   0.0000  1125.07  176.484  ?   ?  0.000000 176.4840 
1 1 1    8   16   16 o  1397.24  120.645   31.401   5.2266   33.840   7.1475   28.599   7.6623  1436.18  161.754  1306.20  193.168 129.9857 251.9488 
1 1 1    8   16   18 o  971.995  138.694   15.471   4.1015   15.310   5.4798   15.677   6.1849  949.770  190.880  953.940  212.504 -4.170044 285.6453 
1 1 1    8   16   20 o  1488.21   96.187   35.258   4.4583   28.087   5.3191   52.192   8.1740  1317.98  130.609  1793.89  146.806 -475.9108 196.4961 
1 1 1    8   16   22 o  789.994  131.652   10.248   3.1420   8.2855   3.9653   13.559   5.1505  699.272  180.026  893.782  189.893 -194.5093 261.6654 
1 1 1    8   16   24 o  1858.52  119.391   55.366   6.9111   61.593   9.8062   49.221   9.7418  1941.81  162.780  1724.86  183.176 216.9493 245.0524 
1 1 1    8   16   26 o  935.354  153.217   14.509   4.3320   19.241   6.0989   9.6910   6.1544  1066.50  189.575  752.866  235.228 313.6365 302.1106 
1 1 1    8   16   28 o  486.805  162.174   3.7173   2.8951   4.5902   3.4172   1.4971   5.4498  535.399  176.086  501.001  208.938 34.39737 273.2426 
1 1 1    8   16   30 o  771.436  167.716   10.141   3.9357   10.141   3.9357   0.0000   0.0000  771.436  167.716  ?   ?  0.000000 167.7162 
1 1 1    8   16   32 o  807.192  174.550   11.195   4.2833   11.347   5.3440   10.922   7.1632  801.266  210.330  783.541  254.812 17.72583 330.4052 
1 1 1    8   16   34 o  1541.13  235.606   42.554   11.008   0.0000   0.0000   42.554   11.008  ?   ?   1541.13  235.606 0.000000 235.6060 
1 1 1    8   16   36 o  1234.98  166.311   26.156   6.2678   32.163   8.2709   18.054   9.6061  1344.79  202.715  941.034  293.857 403.7523 356.9948 
1 1 1    8   16   38 o  1427.40  123.864   34.120   5.4813   43.432   6.2031   0.9481   11.708  1611.44  123.884  605.577  276.692 1005.867 303.1591 
1 1 1    8   16   40 o  956.162  152.678   16.451   4.4174   21.366   4.9069  -4.5636   10.146  1096.85  146.533  491.663  234.855 605.1865 276.8190 
1 1 1    8   16   42 o  566.515  144.776   6.0103   2.5778   5.2459   2.6836   15.137   9.2725  524.938  153.535  724.813  282.816 -199.8749 321.8041 
1 1 1    8   16   44 o  799.701  158.255   12.578   3.8225   13.537   4.0018   2.5922   12.914  828.435  160.064  518.763  252.012 309.6716 298.5475 
1 1 1    8   16   46 o  348.834  172.470  -6.8056   6.9291  -5.8083   8.0840  -9.5672   13.453  379.367  187.329  426.932  215.256 -47.56439 285.3548 
1 1 1    8   16   48 o  403.980  195.723   0.9774   7.6534  -2.8403   8.9999   10.950   14.546  388.572  192.893  477.190  238.227 -88.61761 306.5282 
1 1 1    8   17    1 o  3100.14  132.928  152.817   12.904  152.836   18.254  152.798   18.243  3070.12  190.826  3069.78  190.738 0.3391113 269.8062 
1 1 1    8   17    3 o  2185.42  167.306   77.087   11.362   77.087   11.362   0.0000   0.0000  2185.42  167.306  ?   ?  0.000000 167.3064 
1 1 1    8   17    5 o  1433.47  163.802   33.382   7.2203   33.382   7.2203   0.0000   0.0000  1433.47  163.802  ?   ?  0.000000 163.8019 
1 1 1    8   17    7 o  3064.63  192.133  153.054   18.344  153.054   18.344   0.0000   0.0000  3064.63  192.133  ?   ?  0.000000 192.1329 
1 1 1    8   17    9 o  621.428  200.500   6.1960   4.4407   6.1960   4.4407   0.0000   0.0000  621.428  200.500  ?   ?  0.000000 200.5003 
1 1 1    8   17   11 o  2268.96  122.942   82.223   8.7020   90.693   12.108   73.174   12.515  2365.26  164.506  2110.47  191.471 254.7825 252.4343 
1 1 1    8   17   13 o  1075.04  133.283   18.739   4.3904   20.912   5.9098   16.062   6.5587  1124.07  173.487  967.478  221.302 156.5949 281.1983 
1 1 1    8   17   15 o  1372.84  124.012   30.282   5.2733   29.019   7.2378   31.712   7.6987  1325.62  178.943  1385.55  181.842 -59.93237 255.1215 
1 1 1    8   17   17 o  1379.35  120.227   30.513   5.1408   30.513   5.1408   0.0000   0.0000  1379.35  120.227  ?   ?  0.000000 120.2271 
1 1 1    8   17   19 o  738.028  181.837   9.1876   4.1748   11.284   6.0859   7.3240   5.7377  812.567  229.237  678.908  228.315 133.6595 323.5385 
1 1 1    8   17   21 o  1419.01   99.134   32.036   4.3771   39.163   5.3712   17.945   7.5522  1566.85  110.180  1018.08  240.699 548.7770 264.7176 
1 1 1    8   17   23 o  1033.81  112.699   17.185   3.5891   21.295   4.4554   9.5878   6.0574  1148.65  125.940  754.358  232.988 394.2880 264.8479 
1 1 1    8   17   25 o  640.773  224.887   6.3038   5.5834   0.0000   0.0000   6.3038   5.5834  ?   ?   640.773  224.887 0.000000 224.8872 
1 1 1    8   17   27 o  815.765  139.263   10.992   3.4296   11.533   4.0893   9.7104   6.2970  828.896  163.364  754.662  238.262 74.23383 288.8889 
1 1 1    8   17   29 o  1309.66  109.120   27.553   4.4342   35.100   5.2731   9.3318   8.1933  1477.30  114.898  758.875  271.799 718.4230 295.0870 
1 1 1    8   17   31 o  1742.46  126.650   49.128   6.8629   49.128   6.8629   0.0000   0.0000  1742.46  126.650  ?   ?  0.000000 126.6504 
1 1 1    8   17   33 o  2214.84  116.038   79.153   8.0195   97.564   9.5709   35.763   14.693  2453.83  124.977  1327.26  348.925 1126.570 370.6317 
1 1 1    8   17   35 o  1941.73  223.492   67.428   13.340   0.0000   0.0000   67.428   13.340  ?   ?   1941.73  223.492 0.000000 223.4920 
1 1 1    8   17   37 o  1325.79  287.445   36.614   11.589   0.0000   0.0000   36.614   11.589  ?   ?   1325.79  287.445 0.000000 287.4454 
1 1 1    8   17   39 o  883.092  306.280   19.583   10.342   0.0000   0.0000   19.583   10.342  ?   ?   883.092  306.280 0.000000 306.2796 
1 1 1    8   17   41 o  824.242  240.175   15.346   6.5778   22.094   8.3702   4.4496   10.637  958.372  268.300  576.938  263.654 381.4338 376.1628 
1 1 1    8   17   43 o  652.668  146.633   8.0591   2.9236   7.7340   3.0236   12.729   11.459  633.314  153.968  639.868  284.587 -6.553955 323.5679 
1 1 1    8   17   45 o  583.014  245.385   9.9675   7.6233   11.980   8.8375   4.1150   15.070  604.811  259.705  522.881  257.740 81.92987 365.8918 
1 1 1    8   17   47 f  348.114  136.278   2.0476   2.1584   2.0976   2.1809  -0.3397   15.062  350.734  137.074  461.162  231.904 -110.4279 269.3859 
1 1 1    8   18    0 o  940.959  188.540   14.777   5.3615   14.777   5.3615   0.0000   0.0000  940.959  188.540  ?   ?  0.000000 188.5405 
1 1 1    8   18    2 o  998.937  178.066   16.521   5.3655   16.521   5.3655   0.0000   0.0000  998.937  178.066  ?   ?  0.000000 178.0665 
1 1 1    8   18    4 o  1510.49  114.007   36.359   5.3525   43.141   7.5129   29.369   7.6274  1636.72  148.202  1335.83  187.517 300.8885 239.0118 
1 1 1    8   18    6 o  936.008  134.758   14.229   3.8357   12.056   5.1894   16.846   5.6948  845.172  199.327  1005.34  187.811 -160.1665 273.8688 
1 1 1    8   18    8 f  672.397  170.213   7.5595   3.5871   14.279   4.8225  -0.7629   5.3669  927.610  172.376  455.457  198.930 472.1532 263.2235 
1 1 1    8   18   10 o  1402.93  119.740   31.480   5.2097   20.369   7.0890   44.528   7.6820  1098.74  213.743  1661.54  149.247 -562.7969 260.6929 
1 1 1    8   18   12 o  725.937  172.389   8.8252   3.8602   7.4154   4.9639   10.982   6.1400  673.866  211.372  805.244  231.301 -131.3782 313.3342 
1 1 1    8   18   14 o  900.338  128.501   13.144   3.5199   13.144   3.5199   0.0000   0.0000  900.338  128.501  ?   ?  0.000000 128.5011 
1 1 1    8   18   16 o  481.708  152.943   3.6623   2.5919   5.7438   2.8911  -4.8592   5.8498  588.326  154.834  407.815  189.604 180.5115 244.7925 
1 1 1    8   18   18 o  362.721  160.523  -1.0527   3.6020   1.5749   5.3115  -3.2899   4.9012  505.470  208.123  387.079  177.659 118.3911 273.6385 
1 1 1    8   18   20 o  292.295  133.450  -1.7326   2.7170   0.3892   3.3056  -6.1517   4.7704  383.922  161.587  337.625  161.210 46.29630 228.2521 
1 1 1    8   18   22 o  1508.36  102.301   36.188   4.8032   36.490   5.8920   35.590   8.2931  1508.67  125.875  1470.54  184.141 38.12988 223.0521 
1 1 1    8   18   24 f  929.363  127.034   14.023   3.6000   17.243   4.3409   6.9320   6.4425  1029.17  138.195  677.890  241.203 351.2770 277.9871 
1 1 1    8   18   26 o  892.083  131.863   12.997   3.5724   15.434   4.2819   7.4174   6.4797  969.682  145.514  690.347  242.266 279.3344 282.6081 
1 1 1    8   18   28 o  357.386  152.476   0.0966   3.0112  -0.2066   3.5041   0.9524   5.8880  376.018  162.506  507.776  214.790 -131.7588 269.3376 
1 1 1    8   18   30 o  760.486  190.312   9.9252   4.5210   12.808   5.7071   5.0676   7.4077  858.256  213.297  642.937  252.247 215.3188 330.3388 
1 1 1    8   18   34 o  601.493  200.323   6.1075   4.4175   9.9935   5.1096  -5.3931   8.7902  746.500  209.853  495.705  231.117 250.7947 312.1756 
1 1 1    8   18   36 o  997.703  138.366   16.848   4.2063   20.011   4.6473   2.5181   9.8922  1087.84  139.658  610.034  268.162 477.8060 302.3499 
1 1 1    8   18   38 o  692.219  174.171   8.8251   3.7720   12.023   4.0722 -10.4961   10.010  816.758  164.908  455.301  221.343 361.4576 276.0209 
1 1 1    8   18   40 o  480.875  213.746   1.3003   6.4548  -7.4880   8.2157   15.474   10.434  420.183  203.375  769.083  300.026 -348.8997 362.4593 
1 1 1    8   18   42 o  448.465  204.949   0.2629   6.4278  -2.5965   8.0840   5.1783   10.599  449.747  213.346  572.367  262.169 -122.6205 338.0080 
1 1 1    8   18   44 o  506.269  233.371   3.4741   8.5831   3.4741   8.5831   0.0000   0.0000  506.269  233.371  ?   ?  0.000000 233.3714 
1 1 1    8   18   46 o  782.601  156.093   12.313   3.6909   12.313   3.6909   0.0000   0.0000  782.601  156.093  ?   ?  0.000000 156.0928 
1 1 1    8   19    1 o  469.374  168.462   3.0230   3.1491   6.2520   4.3333  -0.5907   4.5841  624.604  197.700  424.600  184.683 200.0037 270.5421 
1 1 1    8   19    3 o  1100.32  130.454   19.487   4.4071   19.411   6.0898   19.571   6.3859  1083.52  186.204  1085.52  195.044 -1.991943 269.6554 
1 1 1    8   19    5 o  744.186  166.794   9.2120   3.7905   3.5459   5.0476   16.539   5.7401  550.409  210.267  997.110  190.799 -446.7009 283.9306 
1 1 1    8   19    7 o  1226.49  129.328   24.137   4.8919   25.915   6.4819   21.784   7.4563  1261.23  168.332  1140.14  216.780 121.0940 274.4616 
1 1 1    8   19    9 o  899.149  157.452   13.273   4.2715   10.853   5.5743   16.715   6.6480  803.245  216.654  995.492  219.204 -192.2460 308.2040 
1 1 1    8   19   11 o  964.770  148.783   15.161   4.3501   11.016   5.7800   20.575   6.6064  809.515  221.569  1114.00  196.580 -304.4824 296.2030 
1 1 1    8   19   13 o  2738.01  104.026  118.394   8.9186  124.584   10.858  105.561   15.635  2803.66  123.686  2549.95  197.357 253.7041 232.9123 
1 1 1    8   19   15 o  846.974  138.992   11.692   3.5583   13.079   4.2226   8.2946   6.6086  892.728  156.780  728.158  245.029 164.5704 290.8936 
1 1 1    8   19   17 o  1426.81  102.627   32.318   4.5544   38.906   5.6193   19.705   7.7756  1563.45  115.603  1077.33  236.942 486.1132 263.6393 
1 1 1    8   19   19 o  777.768  144.357   9.9414   3.3862   11.161   4.3060   7.9642   5.4816  818.705  173.369  700.721  222.416 117.9843 282.0027 
1 1 1    8   19   21 o  1643.55  123.665   43.155   6.3176   40.159   8.9425   46.141   8.9264  1565.41  186.082  1684.65  171.615 -119.2469 253.1370 
1 1 1    8   19   23 o  480.908  182.282   2.7783   3.7747   9.3041   5.4448  -3.2605   5.2377  744.258  218.986  403.250  184.555 341.0081 286.3830 
1 1 1    8   19   25 o  702.676  182.562   8.3186   4.0532   12.403   5.5331   3.5887   5.9543  852.812  208.864  575.815  226.075 276.9976 307.7894 
1 1 1    8   19   27 o  1635.39  131.157   43.018   6.6598   58.016   9.0405   25.222   9.8478  1891.76  153.955  1196.43  269.357 695.3340 310.2505 
1 1 1    8   19   29 o  1517.91  139.484   37.344   6.5554   50.648   8.7172   20.028   9.9453  1760.76  159.852  1051.18  291.811 709.5754 332.7255 
1 1 1    8   19   31 f  1556.81  116.832   39.044   5.6538   47.392   6.5908   15.786   11.001  1713.19  123.694  929.785  316.118 783.4000 339.4571 
1 1 1    8   19   33 o  681.111  199.584   8.1435   4.5310   8.1435   4.5310   0.0000   0.0000  681.111  199.584  ?   ?  0.000000 199.5841 
1 1 1    8   19   35 o  1007.88  174.227   17.763   5.2995   24.007   6.1728   0.2602   10.335  1175.70  172.835  594.659  266.951 581.0386 318.0168 
1 1 1    8   19   37 o  926.484  156.074   15.039   4.3668   17.670   4.7771   1.6668   10.771  1005.16  156.904  600.419  270.758 404.7446 312.9358 
1 1 1    8   19   39 o  490.621  180.496   4.0231   3.6455   1.8692   3.8908   19.505   10.431  427.578  177.279  881.317  307.495 -453.7394 354.9384 
1 1 1    8   19   41 o  481.169  186.354   3.8492   4.0029   3.8492   4.0029   0.0000   0.0000  481.169  186.354  ?   ?  0.000000 186.3539 
1 1 1    8   19   43 o  452.815  217.773  -3.7810   9.0595  -3.7810   9.0595   0.0000   0.0000  452.815  217.773  ?   ?  0.000000 217.7735 
1 1 1    8   19   45 o  417.970  201.964  -3.3676   8.0210  -2.6918   9.1091  -5.7001   16.923  442.409  214.137  502.111  251.593 -59.70242 330.3841 
1 1 1    8   20    0 o  1618.31  119.157   41.627   5.9956   49.378   8.4116   33.622   8.5482  1754.83  154.663  1434.31  195.420 320.5271 249.2183 
1 1 1    8   20    2 o  674.232  175.482   7.5355   3.7406   10.162   5.1648   4.6376   5.4249  780.359  207.702  595.966  220.029 184.3930 302.5773 
1 1 1    8   20    4 o  2508.72  124.826   99.580   9.8056   99.191   13.718   99.986   14.022  2484.64  177.487  2493.41  180.823 -8.776367 253.3748 
1 1 1    8   20    6 o  1000.46  119.383   16.038   3.6660   14.544   4.4126   19.369   6.5868  944.578  154.537  1081.32  201.965 -136.7439 254.3056 
1 1 1    8   20    8 o  687.402  159.759   7.8185   3.3733   5.9043   3.9724   12.767   6.3875  607.680  188.840  872.048  230.450 -264.3680 297.9392 
1 1 1    8   20   10 f  692.927  159.617   7.9440   3.3919   10.891   4.0434   0.9460   6.2311  812.629  164.550  529.841  222.367 282.7876 276.6291 
1 1 1    8   20   12 o  660.789  188.426   7.1804   4.0892   0.0000   5.3339   17.417   6.3686  473.092  202.415  1022.89  205.963 -549.7976 288.7775 
1 1 1    8   20   14 o  546.907  190.806   4.3268   4.0165   9.4646   5.4719  -1.6753   5.9142  755.949  218.706  464.570  205.639 291.3789 300.1996 
1 1 1    8   20   16 o  689.119  186.596   7.8841   4.1254   4.0759   5.5555   12.565   6.1596  582.617  221.065  863.697  225.373 -281.0809 315.6939 
1 1 1    8   20   18 o  1078.36  115.478   18.605   3.8386   24.975   4.6900   5.6780   6.6810  1249.94  121.360  655.837  243.770 594.1036 272.3093 
1 1 1    8   20   20 o  527.561  216.242   1.8292   5.7019   0.0000   0.0000   1.8292   5.7019  ?   ?   527.561  216.242 0.000000 216.2420 
1 1 1    8   20   22 o  851.602  173.317   12.066   4.4644   15.656   6.0483   7.7672   6.6174  964.116  206.567  710.412  245.078 253.7039 320.5200 
1 1 1    8   20   24 o  1268.01  143.806   25.996   5.6088   38.750   7.7080   11.644   8.1768  1545.55  161.665  837.764  272.233 707.7839 316.6170 
1 1 1    8   20   26 o  921.736  168.689   14.106   4.6893   16.744   6.2783   10.778   7.0522  994.037  208.370  801.362  252.034 192.6759 327.0156 
1 1 1    8   20   28 o  1168.75  156.377   22.408   5.5794   21.807   7.2606   23.274   8.7188  1132.04  212.639  1155.49  248.368 -23.45618 326.9590 
1 1 1    8   20   30 o  1585.08  118.640   40.451   5.8457   43.673   6.8069   31.395   11.410  1641.41  133.598  1311.64  285.897 329.7666 315.5720 
1 1 1    8   20   32 o  1536.80  121.599   38.382   5.8037   47.439   6.6970   11.064   11.631  1707.11  126.180  816.078  317.212 891.0336 341.3870 
1 1 1    8   20   34 f  534.769  210.287   3.7159   5.1592   3.7159   5.1592   0.0000   0.0000  534.769  210.287  ?   ?  0.000000 210.2868 
1 1 1    8   20   36 o  628.450  196.646   7.1701   4.2993   7.1701   4.2993   0.0000   0.0000  628.450  196.646  ?   ?  0.000000 196.6456 
1 1 1    8   20   38 o  662.198  200.218   8.3299   4.5042   8.3299   4.5042   0.0000   0.0000  662.198  200.218  ?   ?  0.000000 200.2180 
1 1 1    8   20   40 o  655.321  202.894   8.4954   4.5905   8.4954   4.5905   0.0000   0.0000  655.321  202.894  ?   ?  0.000000 202.8940 
1 1 1    8   20   42 o  411.951  197.136  -4.7313   7.2179  -0.0000   8.8571 -14.0858   12.454  501.215  233.120  458.073  227.312 43.14240 325.6008 
1 1 1    8   20   44 o  416.391  181.144   1.6641   4.4116   3.0236   4.5739 -16.4828   16.711  452.275  190.201  482.310  242.761 -30.03537 308.3983 
1 1 1    8   21    1 o  1194.75  115.394   22.719   4.2632   22.861   5.2690   22.448   7.2545  1193.18  143.937  1167.59  205.954 25.58875 251.2666 
1 1 1    8   21    3 o  2076.25  122.892   68.292   7.9539   60.807   10.925   76.733   11.602  1944.99  181.485  2189.85  170.552 -244.8572 249.0478 
1 1 1    8   21    5 o  767.813  151.832   9.6666   3.5210   9.2857   4.1939   10.576   6.4810  748.635  180.921  803.078  239.577 -54.44336 300.2159 
1 1 1    8   21    7 o  899.023  142.455   13.103   3.8765   11.650   4.6755   16.298   6.9336  838.958  183.121  986.829  228.834 -147.8712 293.0847 
1 1 1    8   21    9 o  939.903  137.131   14.266   3.9170   13.525   4.6832   15.992   7.1464  907.524  171.077  976.068  236.345 -68.54376 291.7639 
1 1 1    8   21   11 o  646.829  174.921   6.8942   3.6280   3.4695   4.2090   16.795   7.1564  523.354  193.693  1000.33  232.835 -476.9773 302.8679 
1 1 1    8   21   13 o  968.858  133.756   15.134   3.9496   13.432   4.8118   18.650   6.9146  902.488  176.599  1057.83  216.057 -155.3428 279.0476 
1 1 1    8   21   15 o  484.321  185.788   2.5928   3.9509  -3.4027   5.6125   8.4823   5.5627  421.492  192.190  723.109  223.259 -301.6168 294.5873 
1 1 1    8   21   17 o  268.047  133.038 -10.2240   4.2734   0.0000   0.0000 -10.2240   4.2734  ?   ?   268.047  133.038 0.000000 133.0381 
1 1 1    8   21   19 o  1003.49  235.811   17.047   7.2841   0.0000   0.0000   17.047   7.2841  ?   ?   1003.49  235.811 0.000000 235.8106 
1 1 1    8   21   21 o  566.191  198.312   4.6541   4.3408   6.5247   6.3105   2.9742   5.9804  671.004  238.723  566.024  225.184 104.9798 328.1714 
1 1 1    8   21   23 o  451.717  176.505   2.0577   3.6155   5.0808   4.4629  -3.7152   6.1673  583.536  201.268  439.755  200.884 143.7811 284.3649 
1 1 1    8   21   25 o  704.203  176.686   8.3092   3.8895   10.581   4.5984   2.5984   7.2914  793.034  188.039  596.378  244.500 196.6556 308.4461 
1 1 1    8   21   27 o  719.282  209.456   8.7293   5.0042   13.314   6.5978   2.5189   7.6787  877.736  235.268  602.536  249.369 275.2005 342.8351 
1 1 1    8   21   29 o  1049.18  153.947   18.208   4.9071   21.907   5.6200   6.3398   10.067  1150.14  160.417  725.923  291.028 424.2178 332.3118 
1 1 1    8   21   31 o  1372.60  152.398   31.219   6.4394   31.219   6.4394   0.0000   0.0000  1372.60  152.398  ?   ?  0.000000 152.3985 
1 1 1    8   21   33 o  778.462  235.649   11.142   6.2367   11.142   6.2367   0.0000   0.0000  778.462  235.649  ?   ?  0.000000 235.6487 
1 1 1    8   21   35 o  388.996  168.650   0.1064   3.7982  -0.3272   4.0755   2.9713   10.476  391.350  172.076  633.266  277.225 -241.9160 326.2881 
1 1 1    8   21   37 o  1030.06  162.556   18.606   5.0692   25.774   5.5474 -17.6701   12.480  1226.01  147.461  475.724  234.506 750.2897 277.0158 
1 1 1    8   21   39 o  977.419  167.189   17.192   4.9330   17.040   5.3515   18.054   12.725  959.578  184.809  836.814  329.870 122.7638 378.1119 
1 1 1    8   21   41 o  607.641  204.607   7.2931   4.6080   8.2629   4.9963   1.7718   11.921  638.885  213.056  581.360  270.417 57.52570 344.2646 
1 1 1    8   21   43 o  283.159  139.857  -7.9227   4.5158  -9.0609   4.8293   0.0010   12.742  286.102  141.902  546.750  261.719 -260.6489 297.7123 
1 1 1    8   22    0 o  609.185  178.805   6.0037   3.6340   3.5905   4.3925   11.238   6.4689  534.605  197.867  826.027  237.457 -291.4220 309.0912 
1 1 1    8   22    2 o  498.883  186.091   3.0334   3.9002  -0.9988   5.1453   8.4795   5.9797  445.302  194.630  731.357  232.319 -286.0547 303.0724 
1 1 1    8   22    4 o  856.024  191.453   12.128   5.0032   9.5963   7.2547   14.423   6.9091  783.011  256.521  929.418  236.748 -146.4072 349.0740 
1 1 1    8   22    6 o  1322.33  119.808   27.796   4.9068   32.082   5.8640   17.788   8.9612  1418.96  133.551  1028.31  273.537 390.6503 304.3989 
1 1 1    8   22    8 o  261.205  126.488  -5.2533   3.1870  -6.8408   3.7207  -0.8792   6.1760  273.138  133.264  492.514  214.293 -219.3756 252.3505 
1 1 1    8   22   10 o  441.855  185.336   0.5478   4.3246   1.5718   6.0241  -0.5411   6.2120  537.573  221.529  500.335  216.301 37.23801 309.6151 
1 1 1    8   22   12 o  786.423  200.628   10.278   4.9564   24.257   7.4654  -0.7392   6.6279  1215.22  203.380  513.006  222.600 702.2155 301.5193 
1 1 1    8   22   14 o  1020.66  162.637   16.957   5.0233   27.843   7.4286   7.7849   6.8186  1307.73  186.716  721.379  248.781 586.3503 311.0548 
1 1 1    8   22   16 o  675.236  231.982   6.8208   5.9261   0.0000   0.0000   6.8208   5.9261  ?   ?   675.236  231.982 0.000000 231.9819 
1 1 1    8   22   18 o  612.246  182.538   6.0782   3.7632   6.2004   4.5711   5.8212   6.6291  628.773  203.482  661.257  243.380 -32.48413 317.2357 
1 1 1    8   22   20 o  643.151  238.612   5.3997   6.3954   0.0000   0.0000   5.3997   6.3954  ?   ?   643.151  238.612 0.000000 238.6119 
1 1 1    8   22   22 o  327.114  155.133  -5.0612   4.2689  -3.8538   5.8053  -6.4828   6.2991  422.203  193.622  407.508  191.802 14.69473 272.5386 
1 1 1    8   22   24 o  643.112  216.753   6.4147   5.1714   4.4819   7.0937   8.6071   7.5549  633.906  247.361  748.980  261.666 -115.0736 360.0788 
1 1 1    8   22   26 o  1422.75  208.505   33.898   9.0132   33.898   9.0132   0.0000   0.0000  1422.75  208.505  ?   ?  0.000000 208.5054 
1 1 1    8   22   28 o  1224.06  230.505   25.983   8.5108   25.983   8.5108   0.0000   0.0000  1224.06  230.505  ?   ?  0.000000 230.5055 
1 1 1    8   22   30 o  441.468  185.597   0.8916   4.3529   4.1767   4.9238 -10.8620   9.3135  553.112  208.539  464.653  222.772 88.45929 305.1488 
1 1 1    8   22   32 o  766.030  199.516   10.398   4.8332   14.687   5.4258  -6.0803   10.635  914.240  195.457  544.613  254.020 369.6270 320.5147 
1 1 1    8   22   34 o  539.202  194.365   4.5656   4.1963   6.7713   4.5262  -8.9312   11.197  622.976  202.548  523.573  249.158 99.40302 321.1006 
1 1 1    8   22   36 o  1114.79  153.714   21.297   5.2230   20.649   5.7268   24.502   12.735  1084.45  174.573  1029.51  339.994 54.94495 382.1928 
1 1 1    8   22   38 o  714.151  202.797   9.6335   4.7469   8.0048   5.1287   19.367   12.538  652.144  215.782  891.802  333.453 -239.6588 397.1811 
1 1 1    8   22   40 o  378.188  171.884  -1.2509   4.4431  -1.0703   4.7392  -2.5623   12.770  393.366  178.290  570.400  269.867 -177.0335 323.4431 
1 1 1    8   23    1 o  550.736  198.402   4.0785   4.3717   6.1685   5.6131   0.8558   6.9700  651.353  225.659  558.746  234.875 92.60767 325.7116 
1 1 1    8   23    3 o  319.295  153.261  -6.3987   4.4369 -13.2455   6.6420  -0.8816   5.9623  354.955  174.199  484.313  210.639 -129.3578 273.3385 
1 1 1    8   23    5 o  885.405  199.190   12.977   5.3887   14.899   7.8041   11.226   7.4499  945.555  256.900  834.026  258.513 111.5289 364.4534 
1 1 1    8   23    7 o  1211.77  173.402   23.765   6.3919   24.155   9.0436   23.375   9.0354  1204.13  248.110  1183.32  251.601 20.80994 353.3575 
1 1 1    8   23    9 o  928.616  199.455   14.267   5.6265   23.838   7.9676   4.7456   7.9467  1202.39  219.721  672.752  262.006 529.6378 341.9422 
1 1 1    8   23   11 o  376.769  162.096  -0.2527   3.4547  -0.2890   4.3957  -0.1941   5.5874  424.984  182.842  481.705  206.663 -56.72113 275.9356 
1 1 1    8   23   13 o  540.828  195.358   3.9250   4.2425   11.227   5.9976  -3.3877   6.0020  822.883  225.896  440.895  200.149 381.9876 301.8092 
1 1 1    8   23   15 o  408.560  169.934   0.6364   3.5914   3.7496   4.5518  -4.4980   5.8455  544.367  201.434  416.290  192.138 128.0771 278.3750 
1 1 1    8   23   17 o  554.843  189.660   4.5450   3.9599   1.8184   4.8342   10.106   6.9040  497.142  200.837  791.763  249.429 -294.6207 320.2348 
1 1 1    8   23   19 o  546.264  188.569   4.3631   3.9179   5.0807   4.8713   3.0485   6.5930  595.904  209.984  590.178  235.904 5.726257 315.8228 
1 1 1    8   23   21 o  329.669  156.511  -5.2681   4.3675  -5.2681   4.3675   0.0000   0.0000  329.669  156.511  ?   ?  0.000000 156.5106 
1 1 1    8   23   23 o  598.524  214.950   5.0776   5.1277   5.0776   5.1277   0.0000   0.0000  598.524  214.950  ?   ?  0.000000 214.9501 
1 1 1    8   23   25 o  580.729  222.074   4.1302   5.6339   6.5800   7.3993   0.7506   8.6909  688.081  256.385  601.486  257.889 86.59479 363.6481 
1 1 1    8   23   27 o  739.071  235.520   9.2238   6.1419   18.170   7.7801  -5.5730   10.006  1015.00  247.111  548.413  252.494 466.5845 353.2944 
1 1 1    8   23   29 o  482.139  207.425   0.3264   5.6569  -1.4285   7.0921   3.3953   9.3788  502.892  223.767  652.425  273.261 -149.5334 353.1897 
1 1 1    8   23   31 o  632.656  210.130   6.7041   4.8618   6.0828   5.4059   9.3333   11.120  619.699  220.900  781.687  308.300 -161.9882 379.2698 
1 1 1    8   23   33 o  640.240  205.874   7.1021   4.6849   9.7219   5.1295  -6.0748   11.504  736.425  211.378  564.518  263.602 171.9070 337.8856 
1 1 1    8   23   35 o  433.012  187.548   0.2974   4.6879   0.2974   4.6879   0.0000   0.0000  433.012  187.548  ?   ?  0.000000 187.5483 
1 1 1    8   23   37 o  381.713  172.257  -1.3272   4.3686  -1.1653   4.6588  -2.5068   12.575  397.474  178.765  600.200  278.697 -202.7258 331.1025 
1 1 1    8   23   39 o  455.950  193.386   1.5916   4.7935   0.2687   5.1333   10.602   13.397  438.529  192.964  739.948  318.774 -301.4191 372.6283 
1 1 1    8   24    0 o  633.096  223.153   5.6473   5.5019   13.380   8.0045  -1.2775   7.5749  903.341  265.438  542.522  236.662 360.8185 355.6208 
1 1 1    8   24    2 o  829.377  220.534   11.365   5.8263   16.938   8.2434   5.8016   8.2358  1007.80  259.625  706.495  268.899 301.3065 373.7802 
1 1 1    8   24    4 o  497.135  189.673   2.7352   4.1040   3.1621   4.7768   1.5319   8.0198  535.060  204.514  609.447  253.752 -74.38727 325.9082 
1 1 1    8   24    6 o  1597.61  114.584   40.379   5.6940   38.413   6.9443   44.412   9.9471  1553.20  144.440  1660.48  195.026 -107.2815 242.6893 
1 1 1    8   24    8 o  600.953  191.725   5.6315   4.0692   7.5800   5.0436   1.9978   6.8875  689.292  212.548  580.117  237.709 109.1743 318.8771 
1 1 1    8   24   10 o  683.274  187.597   7.6538   4.1360   11.736   5.2270   0.8185   6.7640  841.925  201.044  550.567  231.404 291.3582 306.5397 
1 1 1    8   24   12 o  544.341  191.553   4.1652   4.0524   4.0408   5.0295   4.3955   6.8419  569.497  211.540  633.721  244.136 -64.22333 323.0348 
1 1 1    8   24   14 o  443.929  192.057  -0.5334   4.9047   9.7915   7.0741 -10.0913   6.8063  786.415  252.991  391.109  188.258 395.3066 315.3494 
1 1 1    8   24   16 o  895.407  204.129   13.331   5.5961   13.331   5.5961   0.0000   0.0000  895.407  204.129  ?   ?  0.000000 204.1287 
1 1 1    8   24   18 o  741.517  267.180   7.7763   7.9284   7.7763   7.9284   0.0000   0.0000  741.517  267.180  ?   ?  0.000000 267.1801 
1 1 1    8   24   20 o  482.588  204.006   0.5138   5.3062  -8.2755   7.4138   9.7453   7.5979  433.817  205.358  785.283  262.739 -351.4662 333.4722 
1 1 1    8   24   22 o  538.319  198.150   3.8371   4.3943   10.623   5.2940 -11.1962   7.8795  793.491  209.851  420.731  202.526 372.7601 291.6404 
1 1 1    8   24   24 o  414.617  190.418  -3.6923   5.6426  -2.8837   7.5461  -4.7178   8.4982  505.068  227.301  514.033  235.193 -8.965302 327.0804 
1 1 1    8   24   26 o  844.404  235.849   12.376   6.4757   11.526   8.4028   13.619   10.162  825.980  276.305  891.489  303.828 -65.50964 410.6772 
1 1 1    8   24   28 o  1328.62  186.669   29.623   7.5517   27.109   9.9286   33.072   11.632  1230.28  265.517  1350.83  284.014 -120.5448 388.7972 
1 1 1    8   24   30 o  1127.69  328.692   24.774   12.318   0.0000   0.0000   24.774   12.318  ?   ?   1127.69  328.692 0.000000 328.6921 
1 1 1    8   24   32 o  856.378  259.589   13.521   7.5645   13.837   9.4705   12.965   12.572  862.756  293.311  859.178  330.956 3.578064 442.2251 
1 1 1    8   24   34 o  752.720  212.255   10.214   5.2189   8.2178   5.6773   21.099   13.257  683.432  227.074  998.565  346.742 -315.1335 414.4787 
1 1 1    8   24   36 o  348.538  165.519  -5.0239   4.8920  -5.0239   4.8920   0.0000   0.0000  348.538  165.519  ?   ?  0.000000 165.5192 
1 1 1    8   24   38 o  469.690  198.161   1.6873   4.9906   2.3253   5.3376  -2.7464   14.071  495.268  206.681  620.312  290.267 -125.0443 356.3315 
1 1 1    8   25    1 o  398.785  175.753  -1.2159   4.2743  -0.7480   5.2073  -2.1822   7.4836  454.587  197.279  524.610  231.811 -70.02228 304.3936 
1 1 1    8   25    3 o  531.753  200.088   3.3208   4.5282   5.6555   5.3977  -2.2261   8.3199  631.458  221.143  555.537  245.003 75.92035 330.0465 
1 1 1    8   25    5 o  961.459  167.760   15.035   4.8668   15.924   6.0536   13.410   8.1838  983.574  203.277  906.361  268.949 77.21301 337.1273 
1 1 1    8   25    7 o  402.534  173.725  -0.4104   3.9935   0.8518   5.1503  -2.3134   6.3240  487.753  203.239  474.398  211.179 13.35541 293.0918 
1 1 1    8   25    9 o  861.349  223.570   12.287   6.0825   12.287   6.0825   0.0000   0.0000  861.349  223.570  ?   ?  0.000000 223.5704 
1 1 1    8   25   11 o  1234.87  171.162   24.620   6.4403   24.620   6.4403   0.0000   0.0000  1234.87  171.162  ?   ?  0.000000 171.1617 
1 1 1    8   25   13 o  784.586  221.438   10.135   5.6776   10.135   5.6776   0.0000   0.0000  784.586  221.438  ?   ?  0.000000 221.4376 
1 1 1    8   25   15 o  399.005  176.270  -1.2679   4.3247   4.6693   5.2724 -13.4768   7.5607  594.612  217.323  390.667  190.466 203.9448 288.9747 
1 1 1    8   25   17 o  1290.45  138.054   26.684   5.4918   31.228   6.7191   17.539   9.5319  1392.84  156.788  1016.46  286.932 376.3811 326.9750 
1 1 1    8   25   19 o  542.981  216.727   2.6161   5.5564   7.7503   7.6883  -2.9974   8.0392  732.735  263.199  526.761  236.027 205.9742 353.5287 
1 1 1    8   25   21 o  675.992  210.756   7.4395   4.9434   0.7936   5.9058   22.995   9.0352  511.206  215.615  1157.66  256.047 -646.4513 334.7381 
1 1 1    8   25   23 o  842.264  200.070   12.014   5.1982   13.899   6.0356   6.5992   10.229  902.995  216.307  750.381  295.776 152.6143 366.4319 
1 1 1    8   25   25 o  458.410  197.554  -0.0719   5.1491  -3.0192   5.8417   10.193   10.902  433.334  197.002  828.174  310.690 -394.8403 367.8834 
1 1 1    8   25   27 o  1443.52  194.689   34.887   8.5755   33.805   11.188   36.428   13.352  1382.69  268.082  1410.51  310.712 -27.81226 410.3779 
1 1 1    8   25   29 o  454.316  210.782  -5.0344   7.1708   0.2102   9.0151 -14.0684   11.832  592.272  258.279  518.930  249.402 73.34253 359.0389 
1 1 1    8   25   31 o  951.460  202.414   15.757   5.8451   16.125   6.4978   14.195   13.380  954.474  221.661  900.944  342.784 53.53052 408.2085 
1 1 1    8   25   33 o  580.789  248.731   1.7864   8.0680   7.1741   10.107  -7.6793   13.396  722.393  290.897  601.271  281.949 121.1219 405.1133 
1 1 1    8   25   35 o  681.122  265.310   7.1597   8.1494   3.4779   9.9509   14.659   14.201  644.320  276.095  875.252  347.384 -230.9321 443.7385 
1 1 1    8   26    0 o  1285.05  186.706   26.686   7.2929   26.888   10.174   26.472   10.459  1273.15  263.884  1261.32  272.756 11.83118 379.5141 
1 1 1    8   26    2 o  490.170  210.019  -0.2144   5.7568   7.4302   7.8769  -8.9795   8.4344  738.801  266.297  471.301  221.862 267.4997 346.6073 
1 1 1    8   26    4 o  996.549  218.603   16.413   6.6338   16.413   6.6338   0.0000   0.0000  996.549  218.603  ?   ?  0.000000 218.6030 
1 1 1    8   26    6 f  1062.92  208.249   18.577   6.6832   18.577   6.6832   0.0000   0.0000  1062.92  208.249  ?   ?  0.000000 208.2493 
1 1 1    8   26    8 o  611.495  225.995   4.7405   5.7260   4.7405   5.7260   0.0000   0.0000  611.495  225.995  ?   ?  0.000000 225.9955 
1 1 1    8   26   10 o  634.039  202.037   6.2985   4.5197   8.9542   5.7124   1.8532   7.3906  744.617  225.555  593.687  245.090 150.9307 333.0832 
1 1 1    8   26   12 o  330.787  156.443  -4.9502   4.2843   0.7233   5.4100 -14.4932   7.0164  494.271  207.306  360.228  177.235 134.0434 272.7412 
1 1 1    8   26   14 o  842.831  218.975   11.850   5.8314   20.608   8.3907   3.6683   8.1100  1107.17  248.168  651.714  261.237 455.4543 360.3217 
1 1 1    8   26   16 o  793.952  201.377   10.517   5.0139   7.4472   6.0951   16.943   8.8179  697.124  235.314  999.259  273.739 -302.1350 360.9791 
1 1 1    8   26   18 o  513.889  200.334   2.7287   4.6494   4.9061   5.7050  -1.5776   8.0230  610.521  225.592  548.280  241.247 62.24097 330.2906 
1 1 1    8   26   20 o  524.911  206.412   2.7501   4.9709   4.2834   6.0159  -0.5499   8.8254  600.190  229.488  590.297  256.501 9.892822 344.1766 
1 1 1    8   26   22 o  776.061  213.270   10.164   5.3425   14.820   6.3238  -1.4448   9.9855  933.550  219.947  610.685  268.913 322.8647 347.4057 
1 1 1    8   26   24 o  846.503  252.004   12.256   7.1764   12.462   9.1066   11.918   11.657  863.534  287.622  878.529  322.832 -14.99579 432.3735 
1 1 1    8   26   26 o  565.156  220.987   3.5725   5.6705   4.4139   6.4344   0.6465   11.999  608.591  236.110  687.363  298.882 -78.77203 380.8919 
1 1 1    8   26   28 o  461.453  213.507  -4.9913   7.2838  -8.0554   9.0387   0.6839   12.301  488.964  230.024  689.433  301.145 -200.4700 378.9450 
1 1 1    8   26   30 o  744.326  222.843   9.5856   5.5999   7.4410   6.1385   20.223   13.671  679.268  235.947  1032.15  352.402 -352.8770 424.0971 
1 1 1    8   26   32 o  504.503  217.067   0.5649   6.1961  -5.5332   6.9333   24.755   13.809  435.708  203.842  1109.13  353.118 -673.4238 407.7302 
1 1 1    8   27    1 o  901.105  235.027   13.456   6.7006   13.456   6.7006   0.0000   0.0000  901.105  235.027  ?   ?  0.000000 235.0271 
1 1 1    8   27    3 o  748.699  271.371   7.5977   8.1965   7.5977   8.1965   0.0000   0.0000  748.699  271.371  ?   ?  0.000000 271.3712 
1 1 1    8   27    5 o  317.388  155.164  -9.6862   5.1180 -16.3255   7.3032  -3.2790   7.1745  358.605  177.258  493.870  222.006 -135.2649 284.0895 
1 1 1    8   27    7 o  1344.04  139.777   28.828   5.7965   32.872   7.4091   22.447   9.3064  1430.46  168.658  1157.83  262.722 272.6287 312.1994 
1 1 1    8   27    9 o  1007.26  180.776   16.603   5.4921   18.469   6.8278   13.184   9.2441  1056.46  213.740  905.339  288.987 151.1169 359.4415 
1 1 1    8   27   11 o  991.064  175.056   16.068   5.2338   21.005   6.5726   7.5127   8.6524  1132.47  192.222  752.691  277.880 379.7847 337.8861 
1 1 1    8   27   13 o  1232.95  190.913   24.837   7.1323   37.545   10.864   15.209   9.4555  1507.36  238.073  956.616  290.285 550.7426 375.4254 
1 1 1    8   27   15 o  421.579  186.557  -1.4478   4.8642   2.9018   5.9593 -10.1302   8.4197  565.797  224.883  455.027  216.400 110.7697 312.0921 
1 1 1    8   27   17 o  318.280  154.443  -8.0398   4.8135  -8.5176   6.0377  -7.2065   7.9738  372.110  178.658  469.040  219.167 -96.92914 282.7589 
1 1 1    8   27   19 o  739.556  219.030   9.0464   5.4317   15.091   6.5222  -4.6346   9.8120  945.188  223.829  565.881  256.505 379.3068 340.4326 
1 1 1    8   27   21 o  747.697  227.914   9.2458   5.8192   10.249   6.7642   6.3877   11.415  787.859  246.679  777.341  310.516 10.51843 396.5736 
1 1 1    8   27   23 o  629.446  227.324   5.6415   5.7441   8.1833   6.5167  -3.2122   12.162  719.819  243.314  650.045  290.856 69.77472 379.2085 
1 1 1    8   27   25 o  685.226  231.596   7.4283   5.9041   4.0087   6.8217   17.635   11.786  611.818  241.417  1003.49  326.871 -391.6735 406.3582 
1 1 1    8   27   27 o  603.183  253.019   2.0329   8.0607  -1.1284   10.563   6.4405   12.473  625.064  275.842  784.565  320.500 -159.5008 422.8584 
1 1 1    8   27   29 f  900.102  252.315   14.307   7.3975   9.6333   8.9309   24.523   13.204  780.487  283.210  1138.91  342.451 -358.4260 444.3880 
1 1 1    8   28    0 o  814.476  249.886   10.695   6.9812   10.695   6.9812   0.0000   0.0000  814.476  249.886  ?   ?  0.000000 249.8859 
1 1 1    8   28    2 o  961.901  212.860   15.323   6.2416   17.721   9.3114   13.367   8.4109  1029.81  280.959  905.000  273.594 124.8054 392.1630 
1 1 1    8   28    4 f  596.190  214.567   4.8135   5.1120   4.2129   6.6430   5.6855   8.0048  623.624  240.473  696.946  265.139 -73.32263 357.9472 
1 1 1    8   28    6 o  886.397  201.898   13.016   5.4785   10.745   6.9007   16.888   9.0098  814.187  248.194  1005.03  277.272 -190.8466 372.1293 
1 1 1    8   28    8 o  524.151  216.312   1.4046   5.7542   7.8496   8.3661  -4.3815   7.9269  756.036  274.144  506.650  230.005 249.3862 357.8510 
1 1 1    8   28   10 o  932.091  231.028   14.515   6.7089   15.256   9.4006   13.746   9.5774  959.985  289.024  921.795  294.142 38.18933 412.3765 
1 1 1    8   28   12 o  554.162  211.389   3.4974   5.0969   6.0766   6.4428  -0.8165   8.3324  665.738  240.704  575.172  249.581 90.56604 346.7405 
1 1 1    8   28   14 o  510.721  208.423   1.6871   5.2680   0.8383   6.4559   3.3784   9.1133  537.028  225.912  674.063  274.500 -137.0358 355.5085 
1 1 1    8   28   16 o  870.011  208.561   12.659   5.6078   9.2703   6.8885   19.318   9.6564  764.672  249.936  1064.09  284.373 -299.4146 378.5977 
1 1 1    8   28   18 o  622.277  225.482   5.3271   5.6582   6.5778   6.7759   2.4459   10.284  683.989  246.918  686.669  286.748 -2.680237 378.4082 
1 1 1    8   28   20 o  363.635  174.008  -7.5258   5.6224  -7.9584   6.4160  -6.0942   11.671  394.843  188.094  607.335  277.012 -212.4918 334.8356 
1 1 1    8   28   22 o  561.473  223.873   2.9118   5.9231   2.4053   6.8596   4.3960   11.743  580.483  237.471  750.696  309.318 -170.2131 389.9610 
1 1 1    8   28   24 o  735.058  318.526   0.7125   13.535   0.0000   0.0000   0.7125   13.535  ?   ?   735.058  318.526 0.000000 318.5257 
1 1 1    8   28   26 o  746.667  322.688   1.5006   13.816   0.0000   0.0000   1.5006   13.816  ?   ?   746.667  322.688 0.000000 322.6877 
1 1 1    8   29    1 o  612.781  245.901   3.0170   7.1945   3.0170   7.1945   0.0000   0.0000  612.781  245.901  ?   ?  0.000000 245.9014 
1 1 1    8   29    3 o  610.154  221.463   4.9516   5.4616   14.430   7.0896  -8.8856   8.5658  931.187  241.211  476.361  224.041 454.8257 329.2069 
1 1 1    8   29    5 o  525.755  212.584   1.9768   5.4214   8.9450   6.8623  -9.5936   8.8428  759.378  249.522  479.197  226.060 280.1807 336.6959 
1 1 1    8   29    7 o  508.972  210.092   1.2932   5.4296   0.4023   6.7002   2.9974   9.2668  539.276  228.676  674.798  276.026 -135.5222 358.4452 
1 1 1    8   29    9 o  569.829  219.008   3.5580   5.4967   14.088   7.0192 -13.1388   8.8388  918.974  240.967  444.185  213.982 474.7888 322.2630 
1 1 1    8   29   11 o  393.630  187.689  -8.2598   6.4192  -3.4601   8.9936 -13.2444   9.1651  558.751  250.053  455.075  218.904 103.6760 332.3333 
1 1 1    8   29   13 o  662.431  248.586   5.4551   6.9802   19.341   9.5988 -10.1287   10.169  1068.90  282.517  520.108  244.452 548.7889 373.5944 
1 1 1    8   29   15 o  585.950  238.227   2.4570   6.8498  -1.2766   9.4984   6.5027   9.8874  606.384  264.753  756.002  292.856 -149.6183 394.7895 
1 1 1    8   29   17 o  589.130  233.338   3.2671   6.3951   4.8204   7.5584  -0.6465   11.997  660.328  255.980  689.235  299.278 -28.90637 393.8189 
1 1 1    8   29   19 o  589.117  248.928   0.9850   7.8947  -1.7300   10.020   5.4296   12.820  613.864  269.866  798.623  325.440 -184.7598 422.7751 
1 1 1    8   29   21 o  873.764  278.737   12.595   8.6010   10.587   11.046   15.687   13.708  856.357  314.318  994.414  352.050 -138.0568 471.9480 
1 1 1    8   29   23 o  716.849  269.170   6.8066   8.1864  -1.6679   10.573   19.495   12.937  627.623  276.521  1062.81  342.143 -435.1877 439.9156 
1 1 1    8   30    0 o  578.051  226.868   3.2043   5.9941   13.143   7.7388 -11.6996   9.4766  894.606  260.461  482.189  229.395 412.4168 347.0765 
1 1 1    8   30    2 o  575.452  242.295   0.8168   7.4371   0.8168   7.4371   0.0000   0.0000  575.452  242.295  ?   ?  0.000000 242.2952 
1 1 1    8   30    4 o  528.287  216.962   1.5430   5.7539  -6.6518   7.5000   13.266   8.9703  460.258  214.220  907.124  284.080 -446.8661 355.7978 
1 1 1    8   30    6 o  656.881  233.903   6.0057   6.0595   10.054   7.7675  -0.2887   9.6851  804.893  265.518  631.476  271.535 173.4171 379.7773 
1 1 1    8   30    8 o  679.135  236.515   6.6817   6.1701   12.284   7.6750  -3.5547   10.374  867.494  261.148  605.852  270.030 261.6414 375.6523 
1 1 1    8   30   10 o  465.897  205.810  -1.6895   5.8949  -2.5642   7.2625  -0.0000   10.093  507.976  226.204  647.932  277.861 -139.9554 358.2943 
1 1 1    8   30   12 o  434.589  195.611  -2.6535   5.5910   1.1832   6.8811 -10.1072   9.5911  561.331  234.495  500.749  235.985 60.58182 332.6813 
1 1 1    8   30   14 o  782.474  275.263   8.9624   8.3674   8.7528   11.588   9.1909   12.095  839.056  319.053  857.278  325.969 -18.22192 456.1252 
1 1 1    8   30   16 o  1003.02  347.022   15.752   13.272   0.0000   0.0000   15.752   13.272  ?   ?   1003.02  347.022 0.000000 347.0224 
1 1 1    8   30   18 o  946.315  341.453   13.286   12.955   0.0000   0.0000   13.286   12.955  ?   ?   946.315  341.453 0.000000 341.4527 
1 1 1    8   30   20 f  1066.67  369.946   18.449   15.088   0.0000   0.0000   18.449   15.088  ?   ?   1066.67  369.946 0.000000 369.9458 
1 1 1    8   31    1 o  591.289  234.482   3.0857   6.4653  -7.2636   8.3583   18.502   10.201  487.600  226.679  1054.51  296.542 -566.9063 373.2562 
1 1 1    8   31    3 f  489.458  214.391  -1.3482   6.2732   0.3764   7.9503  -4.1933   10.212  585.668  248.761  593.430  265.948 -7.761597 364.1568 
1 1 1    8   31    5 o  685.686  239.087   6.7706   6.3059  -2.6368   8.1826   20.529   9.8954  543.458  241.154  1106.83  284.086 -563.3768 372.6397 
1 1 1    8   31    7 o  375.453  179.885  -8.4466   6.0499  -9.6730   7.8098  -6.6062   9.5669  438.248  208.419  540.170  248.029 -101.9220 323.9708 
1 1 1    8   31    9 o  666.471  254.078   5.1096   7.3605   4.6546   10.741   5.5126   10.107  746.596  300.151  746.771  294.113 -0.1756592 420.2294 
1 1 1    8   31   11 o  500.569  226.812  -4.1144   7.6633  -1.8581   11.293  -6.0402   10.433  657.849  287.911  576.227  262.470 81.62225 389.5941 
1 1 1    8   31   13 o  662.595  266.798   3.5378   8.5006   2.0625   11.632   5.2288   12.453  724.417  303.914  796.365  322.126 -71.94794 442.8645 
1 1 1    8   31   15 o  489.338  218.325  -2.5249   6.8006  -3.9430   7.8328   1.8171   13.706  508.777  230.029  772.895  327.362 -264.1177 400.0992 
1 1 1    8   32    0 o  679.941  248.889   6.0271   6.9191   4.4681   8.8833   8.4318   11.032  695.847  275.200  828.836  312.230 -132.9882 416.1999 
1 1 1    8   32    2 o  541.808  228.290   0.6191   6.6097   3.4774   8.3616  -4.1420   10.792  660.199  265.038  614.009  274.409 46.18927 381.5046 
1 1 1    8   32    4 o  513.455  234.573  -5.3869   8.4117 -19.0422   12.836   4.8915   11.136  535.024  257.773  763.127  306.041 -228.1031 400.1348 
1 1 1    8   32    6 o  1074.25  268.717   19.267   9.0161   11.897   13.346   25.455   12.229  938.944  345.362  1229.29  315.970 -290.3469 468.0936 
1 1 1    8   32    8 o  606.753  240.626   3.2714   6.8089   6.0599   8.6109  -1.3812   11.123  722.037  274.920  661.019  287.595 61.01825 397.8588 
1 1 1    9    0    1 o  2292.50  112.023   83.012   7.9976   83.012   7.9976   83.012   7.9976  2292.50  112.023  2292.50  112.023 -0.000000 0.000000 
1 1 1    9    0    3 o  305.359  111.992   1.9512   0.9890   1.9512   0.9890   1.9512   0.9890  305.359  111.992  305.359  111.992 -0.000000 0.000000 
1 1 1    9    0    5 o  2118.77  108.366   70.984   7.1465   70.984   7.1465   70.984   7.1465  2118.77  108.366  2118.77  108.366 -0.000000 0.000000 
1 1 1    9    0    7 o  530.475  112.031   4.9609   1.6374   4.9609   1.6374   4.9609   1.6374  530.475  112.031  530.475  112.031 -0.000000 0.000000 
1 1 1    9    0    9 o  375.829  123.676   2.8332   1.2919   2.8332   1.2919   2.8332   1.2919  375.829  123.676  375.829  123.676 -0.000000 0.000000 
1 1 1    9    0   11 o  4820.81  251.205  373.791   37.685  373.791   37.685  373.791   37.685  4820.81  251.205  4820.81  251.205 -0.000000 0.000000 
1 1 1    9    0   13 o  1225.63   95.933   24.016   3.6298   24.016   3.6298   24.016   3.6298  1225.63   95.933  1225.63   95.933 -0.000000 0.000000 
1 1 1    9    0   15 o  2359.19  113.596   88.132   8.3472   88.132   8.3472   88.132   8.3472  2359.19  113.596  2359.19  113.596 -0.000000 0.000000 
1 1 1    9    0   17 o  2313.11  112.035   84.772   8.0712   84.772   8.0712   84.772   8.0712  2313.11  112.035  2313.11  112.035 -0.000000 0.000000 
1 1 1    9    0   19 o  1134.78  142.100   21.278   4.8348   21.278   4.8348   21.278   4.8348  1134.78  142.100  1134.78  142.100 -0.000000 0.000000 
1 1 1    9    0   21 o  1219.30  142.726   24.501   5.2539   24.501   5.2539   24.501   5.2539  1219.30  142.726  1219.30  142.726 -0.000000 0.000000 
1 1 1    9    0   23 o  1916.71  152.896   59.611   9.0420   59.611   9.0420   59.611   9.0420  1916.71  152.896  1916.71  152.896 -0.000000 0.000000 
1 1 1    9    0   25 f  1845.14  151.037   55.336   8.5918   55.336   8.5918   55.336   8.5918  1845.14  151.037  1845.14  151.037 -0.000000 0.000000 
1 1 1    9    0   27 o  346.603  162.929   2.8090   1.9878   2.8090   1.9878   2.8090   1.9878  346.603  162.929  346.603  162.929 -0.000000 0.000000 
1 1 1    9    0   29 o  327.672  160.650   2.5332   1.9571   2.5332   1.9571   2.5332   1.9571  327.672  160.650  327.672  160.650 -0.000000 0.000000 
1 1 1    9    0   31 o  1677.39  104.970   45.094   5.4638   45.094   5.4638   45.094   5.4638  1677.39  104.970  1677.39  104.970 -0.000000 0.000000 
1 1 1    9    0   33 o  3909.74  223.008  253.974   27.098  253.974   27.098  253.974   27.098  3909.74  223.008  3909.74  223.008 -0.000000 0.000000 
1 1 1    9    0   35 o  223.755  144.161   0.0576   2.3325   0.0576   2.3325   0.0576   2.3325  223.755  144.161  223.755  144.161 -0.000000 0.000000 
1 1 1    9    0   37 o  1170.97  111.102   22.262   3.9894   22.262   3.9894   22.262   3.9894  1170.97  111.102  1170.97  111.102 -0.000000 0.000000 
1 1 1    9    0   39 o  2267.87  170.891   83.926   11.977   83.926   11.977   83.926   11.977  2267.87  170.891  2267.87  170.891 -0.000000 0.000000 
1 1 1    9    0   41 o  3018.00  191.700  148.981   17.948  148.981   17.948  148.981   17.948  3018.00  191.700  3018.00  191.700 -0.000000 0.000000 
1 1 1    9    0   43 o  479.543  247.892   5.5816   4.7883   5.5816   4.7883   5.5816   4.7883  479.543  247.892  479.543  247.892 -0.000000 0.000000 
1 1 1    9    0   45 o  393.001  220.884   3.4876   4.1179   3.4876   4.1179   3.4876   4.1179  393.001  220.884  393.001  220.884 -0.000000 0.000000 
1 1 1    9    0   47 f  688.421  258.966   10.587   5.2202   10.587   5.2202   10.587   5.2202  688.421  258.966  688.421  258.966 -0.000000 0.000000 
1 1 1    9    0   49 o  1544.71  175.032   40.588   8.1856   40.588   8.1856   40.588   8.1856  1544.71  175.032  1544.71  175.032 -0.000000 0.000000 
1 1 1    9    0   51 o  176.030  128.537  -9.7593   4.2927  -9.7593   4.2927  -9.7593   4.2927  176.030  128.537  176.030  128.537 -0.000000 0.000000 
1 1 1    9    0   53 o  726.214  293.009   12.975   6.5019   12.975   6.5019   12.975   6.5019  726.214  293.009  726.214  293.009 -0.000000 0.000000 
1 1 1    9    0   55 o  347.817  226.434   0.8070   5.9600   0.8070   5.9600   0.8070   5.9600  347.817  226.434  347.817  226.434 -0.000000 0.000000 
1 1 1    9    0   57 o  327.232  218.572  -0.5268   6.1456  -0.5268   6.1456  -0.5268   6.1456  327.232  218.572  327.232  218.572 -0.000000 0.000000 
1 1 1    9    1    0 o  2652.70   83.183  110.378   6.9094  110.221   9.7694  110.535   9.7735  2648.31  117.809  2652.08  117.691 -3.772217 166.5243 
1 1 1    9    1    2 o  5283.75  130.709  439.336   21.625  445.752   30.584  432.922   30.582  5308.89  183.980  5231.15  186.702 77.74561 262.1195 
1 1 1    9    1    4 o  2175.82   76.582   74.274   5.2176   72.517   7.3764   76.032   7.3811  2144.77  110.209  2199.26  107.184 -54.48267 153.7343 
1 1 1    9    1    6 o  4139.79  109.337  269.685   14.173  262.327   20.042  277.047   20.046  4071.89  157.189  4185.74  152.944 -113.8474 219.3176 
1 1 1    9    1    8 o  2259.89   77.756   80.213   5.5022   78.888   7.7804   81.539   7.7823  2237.45  111.053  2274.97  109.249 -37.52051 155.7823 
1 1 1    9    1   10 o  1319.19   77.853   27.446   3.2016   27.528   3.9217   27.282   5.5440  1318.75   95.621  1305.18  137.735 13.57190 167.6731 
1 1 1    9    1   12 o  2546.89   95.144  102.216   7.5877  107.808   13.136   99.416   9.2953  2594.85  162.486  2507.33  118.396 87.52124 201.0459 
1 1 1    9    1   14 o  1866.93  103.736   55.196   6.0403   0.0000   0.0000   55.196   6.0403  ?   ?   1866.93  103.736 0.000000 103.7362 
1 1 1    9    1   16 o  1777.18  102.505   50.085   5.6800   52.617   8.0292   47.548   8.0362  1811.12  142.738  1718.71  150.850 92.40942 207.6770 
1 1 1    9    1   18 o  1378.31  139.529   30.698   5.9389   0.0000   0.0000   30.698   5.9389  ?   ?   1378.31  139.529 0.000000 139.5285 
1 1 1    9    1   20 o  2434.87  114.715   94.748   8.7461   90.121   12.358   99.392   12.380  2341.24  169.726  2464.84  161.288 -123.6021 234.1378 
1 1 1    9    1   22 o  2003.94  107.716   64.576   6.7342   0.0000   0.0000   64.576   6.7342  ?   ?   2003.94  107.716 0.000000 107.7165 
1 1 1    9    1   24 o  1330.71   68.616   28.127   2.8493   27.424   4.0466   28.818   4.0128  1303.54   99.899  1337.78   96.442 -34.23425 138.8560 
1 1 1    9    1   26 o  890.780   79.913   12.748   2.2053   12.044   3.9266   13.072   2.6653  837.345  155.484  897.041   96.403 -59.69598 182.9451 
1 1 1    9    1   28 o  1427.93   99.780   33.165   4.4333   35.180   6.2607   31.139   6.2786  1445.32  140.097  1351.65  150.925 93.67578 205.9263 
1 1 1    9    1   30 o  922.114  105.842   14.111   3.0007   15.536   4.2047   12.632   4.2836  944.927  146.879  836.814  169.292 108.1132 224.1278 
1 1 1    9    1   32 o  1206.64  157.245   25.799   5.8000   0.0000   0.0000   25.799   5.8000  ?   ?   1206.64  157.245 0.000000 157.2449 
1 1 1    9    1   34 o  2205.25   93.586   79.313   6.4623   81.007   7.9035   75.898   11.225  2203.97  114.922  2050.55  176.536 153.4216 210.6473 
1 1 1    9    1   36 o  1082.84  109.272   19.563   3.6543   17.683   5.0191   21.685   5.3310  989.638  167.975  1105.23  158.585 -115.5933 231.0087 
1 1 1    9    1   38 o  1636.41   87.933   43.760   4.4892   46.447   5.5761   38.809   7.5681  1669.23  107.251  1462.68  168.310 206.5446 199.5768 
1 1 1    9    1   40 o  2547.70  101.029  108.035   8.0595  106.841   9.9072  110.370   13.858  2487.74  127.613  2409.16  185.125 78.58130 224.8472 
1 1 1    9    1   42 f  1480.51  115.943   37.716   5.3320   37.716   5.3320   0.0000   0.0000  1480.51  115.943  ?   ?  0.000000 115.9431 
1 1 1    9    1   44 o  1961.12  189.673   78.416   11.502   78.416   11.502   0.0000   0.0000  1961.12  189.673  ?   ?  0.000000 189.6730 
1 1 1    9    1   46 o  1302.04  110.558   30.443   4.4649   30.603   5.3199   30.059   8.2117  1264.81  136.490  1037.13  254.716 227.6780 288.9805 
1 1 1    9    1   48 o  438.043  172.018   5.0669   3.4479   7.0420   3.9129  -1.7929   7.2922  492.115  185.815  356.840  176.520 135.2750 256.2938 
1 1 1    9    1   54 o  250.236  126.819  -0.8132   5.0868   0.0000   0.0000  -0.8132   5.0868  ?   ?   250.236  126.819 0.000000 126.8187 
1 1 1    9    1   56 o  799.882  291.328   88.635   9.4629   80.581   13.468   96.487   13.299  ?   ?   ?   ?  0.000000      ? 
1 1 1    9    2    1 o  4659.51  138.549  341.869   20.214  313.050   35.013  356.278   24.757  4422.18  253.924  4750.67  166.429 -328.4897 303.6053 
1 1 1    9    2    3 o  4012.99  124.476  253.471   15.641  241.000   27.096  259.703   19.155  3884.06  223.741  4057.01  150.784 -172.9529 269.8068 
1 1 1    9    2    5 o  3846.72  120.181  233.030   14.476  235.005   25.076  232.043   17.728  3834.76  209.625  3832.85  147.715 1.910889 256.4420 
1 1 1    9    2    7 o  317.997   83.823   1.6458   0.8465   0.7066   1.4556   2.1256   1.0405  283.232  111.595  360.836   91.852 -77.60376 144.5350 
1 1 1    9    2    9 o  3172.42  106.737  158.641   10.603  159.157   18.362  158.382   12.987  3150.42  186.970  3164.40  131.068 -13.97607 228.3345 
1 1 1    9    2   11 o  2520.35   93.540  100.051   7.3820   88.442   12.770  105.877   9.0468  2346.00  175.099  2589.42  111.578 -243.4172 207.6281 
1 1 1    9    2   13 o  868.303   75.514   11.943   2.0327   11.679   3.5080   12.076   2.4940  847.499  136.855  870.599   92.924 -23.10034 165.4213 
1 1 1    9    2   15 o  1329.55   97.044   28.041   4.0122   31.222   5.6584   24.825   5.6899  1396.19  130.958  1239.03  149.692 157.1594 198.8913 
1 1 1    9    2   17 o  1277.37   78.368   25.803   3.1194   24.920   5.4081   26.243   3.8186  1241.30  141.677  1285.18   95.575 -43.87695 170.9003 
1 1 1    9    2   19 o  1130.12   67.141   20.190   2.3652   21.440   3.3366   18.927   3.3534  1159.81   92.649  1087.72   99.563 72.09241 136.0021 
1 1 1    9    2   21 o  1151.79   96.257   21.268   3.4397   0.0000   0.0000   21.268   3.4397  ?   ?   1151.79   96.257 0.000000 96.25654 
1 1 1    9    2   23 o  1897.69  105.350   58.017   6.2354   54.819   8.8021   61.238   8.8344  1814.10  156.486  1924.12  147.760 -110.0166 215.2230 
1 1 1    9    2   25 o  555.630   84.116   5.0293   1.4177   4.5928   2.4293   5.2548   1.7458  519.031  144.272  563.293  102.765 -44.26196 177.1304 
1 1 1    9    2   27 o  1499.35   99.882   36.444   4.6624   33.341   6.5776   39.577   6.6099  1402.73  152.195  1538.98  138.654 -136.2571 205.8841 
1 1 1    9    2   29 o  1116.28   80.164   20.091   2.7834   21.512   4.9874   19.448   3.3543  1119.86  145.679  1089.81   99.389 30.05908 176.3535 
1 1 1    9    2   31 o  482.326  131.627   4.0684   2.0434   6.0868   2.6973   1.3499   3.1304  583.913  147.484  386.526  159.534 197.3876 217.2611 
1 1 1    9    2   33 o  1941.31  112.659   62.761   6.8188   58.046   9.7386   67.296   9.5506  1792.47  175.772  1956.45  157.228 -163.9744 235.8312 
1 1 1    9    2   35 o  1153.10  105.237   22.035   3.7579   22.035   3.7579   0.0000   0.0000  1153.10  105.237  ?   ?  0.000000 105.2374 
1 1 1    9    2   39 o  1004.46  204.206   19.890   6.2039   0.0000   0.0000   19.890   6.2039  ?   ?   1004.46  204.206 0.000000 204.2060 
1 1 1    9    2   41 o  406.026  178.622   0.7411   4.3965   0.0000   0.0000   0.7411   4.3965  ?   ?   406.026  178.622 0.000000 178.6221 
1 1 1    9    2   43 o  762.978  163.696   11.184   3.7937   8.1479   4.9991   15.307   5.8252  610.376  212.875  833.109  220.032 -222.7329 306.1534 
1 1 1    9    2   45 f  436.095  170.665   3.4975   3.3842   3.4975   3.3842   0.0000   0.0000  436.095  170.665  ?   ?  0.000000 170.6654 
1 1 1    9    2   47 o  541.723  151.177   6.3706   2.6619   9.2282   3.8248   3.6864   3.7069  608.925  184.587  413.669  172.401 195.2567 252.5762 
1 1 1    9    2   49 o  240.395  120.316  -5.7951   3.8192  -6.8550   4.5750  -3.3582   6.9371  255.076  128.211  322.645  161.581 -67.56978 206.2683 
1 1 1    9    2   51 o  465.797  199.123   11.997   5.1539   14.494   6.4730   7.6703   8.5186  444.693  204.126  349.307  175.497 95.38596 269.1963 
1 1 1    9    2   53 o  1280.23  192.446   60.048   7.4759   64.728   10.821   55.774   10.341  598.466  270.494  548.812  254.090 49.65399 371.1183 
1 1 1    9    2   55 o  ?   ?    15.984   7.9270   15.984   7.9270   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    9    3    0 o  1679.77   82.112   44.270   4.3189   42.654   7.4818   45.078   5.2891  1638.49  147.406  1691.20  100.327 -52.71045 178.3090 
1 1 1    9    3    2 o  3312.13  109.458  172.465   11.352  165.128   19.669  176.129   13.901  3220.57  195.977  3343.88  132.762 -123.3120 236.7121 
1 1 1    9    3    4 f  2804.39   98.402  123.610   8.6409  120.680   14.968  125.075   10.582  2754.22  174.458  2818.30  119.916 -64.08862 211.6973 
1 1 1    9    3    6 o  3421.36  137.040  184.902   14.681  185.905   20.764  183.898   20.761  3409.87  195.280  3390.97  196.370 18.90039 276.9391 
1 1 1    9    3    8 o  1932.77   85.024   58.727   5.1457   56.723   8.9152   59.728   6.3012  1885.08  152.339  1944.50  103.866 -59.42151 184.3785 
1 1 1    9    3   10 f  2567.30   82.475  103.654   6.6300  106.147   9.3784  101.163   9.3742  2592.42  115.533  2530.29  118.316 62.12793 165.3686 
1 1 1    9    3   12 o  3008.45  103.454  142.785   9.7456  138.626   16.871  144.868   11.939  2934.76  184.531  3024.75  126.056 -89.99756 223.4764 
1 1 1    9    3   14 o  1441.90   78.492   32.806   3.5305   29.460   6.0761   34.511   4.3379  1352.91  145.729  1476.52   94.319 -123.6115 173.5884 
1 1 1    9    3   16 o  1455.28   79.389   33.453   3.6040   36.323   6.2670   32.034   4.4053  1504.68  134.430  1420.37   99.681 84.31409 167.3549 
1 1 1    9    3   18 o  2264.45  111.273   81.500   7.8898   84.064   11.152   78.930   11.164  2277.95  157.307  2204.30  162.901 73.64844 226.4561 
1 1 1    9    3   20 o  1794.37  148.647   52.583   8.2767   0.0000   0.0000   52.583   8.2767  ?   ?   1794.37  148.647 0.000000 148.6472 
1 1 1    9    3   22 o  709.945   69.786   8.0480   1.5313   8.0271   2.1774   8.0684   2.1540  701.380  102.144  703.616  100.631 -2.236572 143.3876 
1 1 1    9    3   24 o  776.071   77.245   9.6608   1.8522   8.2435   3.1620   10.401   2.2852  694.393  149.825  801.455   92.777 -107.0615 176.2249 
1 1 1    9    3   26 o  697.842  143.155   8.3270   3.0232   0.0000   0.0000   8.3270   3.0232  ?   ?   697.842  143.155 0.000000 143.1551 
1 1 1    9    3   28 o  1325.95   80.912   28.251   3.3433   28.810   4.1477   27.216   5.6490  1329.97  100.336  1266.38  145.076 63.59912 176.3929 
1 1 1    9    3   30 o  1540.92   81.218   38.331   3.9049   42.129   4.8305   31.169   6.6339  1605.82   96.515  1330.53  162.615 275.2908 189.1003 
1 1 1    9    3   32 o  1647.71  106.909   44.943   5.4861   44.943   5.4861   0.0000   0.0000  1647.71  106.909  ?   ?  0.000000 106.9094 
1 1 1    9    3   34 o  1633.91  106.825   44.110   5.4353   0.0000   0.0000   44.110   5.4353  ?   ?   1633.91  106.825 0.000000 106.8254 
1 1 1    9    3   36 o  1418.15   82.479   32.580   3.6467   32.257   6.1181   32.757   4.5417  1364.52  145.433  1408.48  103.709 -43.96069 178.6235 
1 1 1    9    3   38 o  1997.60   78.441   64.493   4.9065   61.710   6.8983   67.343   6.9800  1916.59  115.487  2006.97  111.510 -90.38831 160.5357 
1 1 1    9    3   40 o  1093.01  129.878   20.809   4.3580   20.244   5.8884   21.493   6.4804  1021.92  191.044  1036.60  206.900 -14.68115 281.6124 
1 1 1    9    3   42 o  2197.09   98.340   80.594   6.7654   75.872   8.1777   90.836   12.043  2088.53  125.631  2180.47  177.944 -91.93701 217.8235 
1 1 1    9    3   44 o  2754.51  141.939  138.904   12.201  135.546   17.013  142.460   17.506  2479.85  221.425  2538.92  222.451 -59.06812 313.8691 
1 1 1    9    3   46 o  845.658  166.527   15.022   4.2526   15.022   4.2526   0.0000   0.0000  845.658  166.527  ?   ?  0.000000 166.5270 
1 1 1    9    3   48 o  1148.37  172.130   31.420   5.9988   29.703   7.7649   33.962   9.4477  884.935  261.834  806.379  291.491 78.55566 391.8215 
1 1 1    9    3   50 o  401.929  182.414   6.8597   4.9815   9.9389   6.2140   1.3221   8.3331  423.832  196.489  339.695  171.037 84.13681 260.5029 
1 1 1    9    3   52 o  624.446  218.751   20.093   5.2818   0.0000   0.0000   20.093   5.2818  ?   ?   624.446  218.751 0.000000 218.7514 
1 1 1    9    3   54 o  432.088  185.888   13.636   4.5429   20.337   7.3943   9.5736   5.7578  360.034  178.038  319.144  157.685 40.89050 237.8273 
1 1 1    9    3   56 o  ?   ?    23.594   8.1710   23.594   8.1710   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    9    4    1 o  300.066   85.896   1.4459   0.8481   1.4097   1.0589   1.5107   1.4163  303.976   97.890  327.132  113.350 -23.15601 149.7692 
1 1 1    9    4    3 o  4563.89  117.402  327.971   16.777  312.790   23.725  343.158   23.729  4443.00  170.533  4656.16  162.756 -213.1592 235.7346 
1 1 1    9    4    5 o  1617.77   69.879   41.071   3.5398   41.015   5.0118   41.127   5.0003  1611.67   99.803  1613.93   99.429 -2.264526 140.8785 
1 1 1    9    4    7 o  964.516   75.854   14.701   2.2724   14.268   2.7823   15.569   3.9383  947.566   95.055  984.107  131.064 -36.54010 161.9046 
1 1 1    9    4    9 o  1321.33   96.091   27.638   3.9485   27.638   3.9485   0.0000   0.0000  1321.33   96.091  ?   ?  0.000000 96.09077 
1 1 1    9    4   11 o  623.268   78.850   6.2039   1.5044   5.4684   1.8536   7.6235   2.5753  579.890  105.988  683.785  124.879 -103.8955 163.7928 
1 1 1    9    4   13 o  1295.18   67.087   26.423   2.7114   27.482   3.8386   25.369   3.8304  1317.25   93.677  1264.71   97.476 52.53491 135.1924 
1 1 1    9    4   15 o  1799.02  102.705   51.305   5.7616   0.0000   0.0000   51.305   5.7616  ?   ?   1799.02  102.705 0.000000 102.7052 
1 1 1    9    4   17 o  889.654   74.334   12.553   2.0518   10.025   3.4732   13.908   2.5429  778.706  147.850  934.493   87.937 -155.7877 172.0252 
1 1 1    9    4   19 o  578.788   70.401   5.3599   1.2496   5.6351   1.7941   5.1006   1.7415  587.488  101.181  557.770  103.523 29.71826 144.7576 
1 1 1    9    4   21 o  715.183  138.887   8.5658   2.9981   0.0000   0.0000   8.5658   2.9981  ?   ?   715.183  138.887 0.000000 138.8865 
1 1 1    9    4   23 o  1186.56   95.781   22.655   3.5283   22.544   4.9829   22.766   4.9967  1166.58  139.159  1172.55  138.785 -5.967407 196.5364 
1 1 1    9    4   25 o  353.870   97.781   2.0725   1.1195   2.2943   1.3886   1.6607   1.8919  373.586  110.771  352.164  129.955 21.42227 170.7584 
1 1 1    9    4   27 o  1716.22   73.602   46.904   3.9553   47.973   5.6228   45.857   5.5649  1717.88  105.035  1678.62  106.424 39.25562 149.5273 
1 1 1    9    4   29 o  1248.07   97.645   25.438   3.7856   0.0000   0.0000   25.438   3.7856  ?   ?   1248.07   97.645 0.000000 97.64516 
1 1 1    9    4   31 o  940.991   83.159   14.393   2.4250   15.376   4.0839   13.858   3.0139  940.974  143.116  912.105  107.600 28.86914 179.0533 
1 1 1    9    4   33 o  1039.74   73.121   17.408   2.3654   22.168   3.3547   12.701   3.3359  1164.50   92.771  862.842  127.293 301.6575 157.5112 
1 1 1    9    4   35 o  1492.64  112.553   36.995   5.2218   32.975   7.2464   41.338   7.5314  1356.51  174.660  1536.42  158.840 -179.9189 236.0858 
1 1 1    9    4   37 o  1351.66   91.281   29.867   3.8407   27.366   6.8011   31.039   4.6538  1219.67  183.786  1365.34  109.784 -145.6748 214.0788 
1 1 1    9    4   39 o  1286.64   88.966   27.173   3.5623   32.434   6.3627   24.771   4.2992  1348.17  153.458  1209.86  114.862 138.3047 191.6831 
1 1 1    9    4   41 o  1822.58   97.793   55.289   5.5606   50.666   9.8351   57.462   6.7416  1603.15  200.294  1833.62  118.046 -230.4688 232.4922 
1 1 1    9    4   43 o  1383.33   98.449   32.219   4.2365   30.393   7.5664   33.053   5.1132  1212.63  206.682  1378.67  119.630 -166.0387 238.8070 
1 1 1    9    4   45 o  630.744  136.798   7.5504   2.6240   15.743   5.2696   4.8494   3.0258  836.337  203.223  487.343  165.791 348.9939 262.2718 
1 1 1    9    4   47 o  805.309  251.925   21.880   7.0566   21.880   7.0566   0.0000   0.0000  805.309  251.925  ?   ?  0.000000 251.9249 
1 1 1    9    4   49 o  364.829  150.632   3.2218   2.7922  -1.7265   5.8199   4.7013   3.1824  319.698  158.065  409.141  163.770 -89.44229 227.6079 
1 1 1    9    4   51 o  356.898  168.813   5.4681   4.9914   7.3843   5.9892   1.1112   9.0312  368.418  177.156  ?   ?  0.000000 177.1560 
1 1 1    9    5    0 o  2944.49  100.979  136.304   9.3102  137.060   11.413  134.800   16.097  2949.61  123.570  2910.45  177.475 39.15796 216.2569 
1 1 1    9    5    2 o  3871.76  120.386  236.191   14.595  229.045   17.882  250.448   25.259  3806.09  150.045  3958.38  204.491 -152.2910 253.6340 
1 1 1    9    5    4 o  2524.43   81.844  100.102   6.4694  101.784   9.1503   98.420   9.1480  2541.49  114.982  2498.86  116.914 42.62476 163.9813 
1 1 1    9    5    6 o  1975.21   74.535   61.272   4.6099   61.983   6.5187   60.559   6.5201  1980.83  105.478  1957.66  106.769 23.16760 150.0838 
1 1 1    9    5    8 o  2390.41  113.066   90.170   8.4629   95.223   11.978   85.133   11.959  2442.66  157.444  2306.39  166.714 136.2710 229.3082 
1 1 1    9    5   10 o  989.860   93.920   15.566   2.8762   15.854   4.0593   15.276   4.0759  991.722  134.163  972.447  137.705 19.27576 192.2565 
1 1 1    9    5   12 o  4691.58  120.185  348.217   17.656  340.506   24.965  355.933   24.973  4613.90  172.802  4719.44  168.990 -105.5400 241.6986 
1 1 1    9    5   14 o  550.709   84.237   4.8845   1.4064   4.2558   1.7584   6.0010   2.3431  508.834  113.274  603.899  127.894 -95.06442 170.8447 
1 1 1    9    5   16 o  1057.56   77.822   17.714   2.5589   16.764   3.1504   19.555   4.3871  1024.89   99.419  1100.85  129.765 -75.95654 163.4715 
1 1 1    9    5   18 o  1783.97   84.282   50.313   4.7080   49.746   5.7745   51.439   8.1309  1766.24  104.883  1780.76  147.139 -14.51880 180.6937 
1 1 1    9    5   20 o  888.161   79.720   12.588   2.1935   11.365   2.6933   14.998   3.7800  837.575  105.001  956.526  129.536 -118.9507 166.7479 
1 1 1    9    5   22 o  1085.56   76.927   18.779   2.5979   18.962   3.2027   18.427   4.4423  1085.89   95.152  1055.41  137.704 30.47449 167.3811 
1 1 1    9    5   24 o  711.240   79.677   8.1394   1.7440   9.2985   2.9480   7.5153   2.1630  745.337  131.104  676.194  105.612 69.14270 168.3512 
1 1 1    9    5   26 o  2199.53   79.147   77.116   5.4511   81.786   7.7358   72.509   7.6824  2246.65  109.964  2107.99  116.847 138.6648 160.4534 
1 1 1    9    5   28 o  1887.40   75.715   56.911   4.4747   62.033   6.3636   51.901   6.2933  1950.41  104.580  1777.13  113.690 173.2860 154.4745 
1 1 1    9    5   30 o  1705.01   84.134   46.868   4.4918   52.473   7.9752   44.264   5.4359  1748.47  147.034  1639.88  106.439 108.5930 181.5164 
1 1 1    9    5   32 o  1597.31   86.414   41.338   4.3060   37.401   7.6509   43.164   5.2094  1449.83  171.877  1620.81  103.181 -170.9788 200.4696 
1 1 1    9    5   34 o  1875.66  110.982   58.074   6.4891   57.130   9.4484   58.917   8.9277  1800.26  169.613  1843.96  156.088 -43.70459 230.5035 
1 1 1    9    5   36 o  1418.24   82.176   32.531   3.6337   42.246   6.4444   28.002   4.3998  1579.05  131.535  1299.68  109.124 279.3721 170.9076 
1 1 1    9    5   38 f  4668.79  142.134  376.412   20.779  405.600   36.017  361.850   25.439  4369.46  264.491  4443.83  182.822 -74.36719 321.5269 
1 1 1    9    5   40 o  1393.00   87.167   31.832   3.7829   37.177   6.9508   29.583   4.5093  1436.10  157.137  1325.33  109.643 110.7731 191.6081 
1 1 1    9    5   42 o  1261.73   99.200   26.673   3.8876   29.949   7.1063   25.273   4.6441  1239.88  189.020  1205.55  124.836 34.33374 226.5231 
1 1 1    9    5   44 o  1319.87   94.641   29.432   3.8854   36.850   6.9865   26.111   4.6750  1381.98  164.695  1210.57  125.138 171.4119 206.8432 
1 1 1    9    5   46 o  271.302  119.127   0.2132   1.9474  -3.0422   4.9335   0.8141   2.1195  329.748  159.101  299.965  127.948 29.78351 204.1660 
1 1 1    9    5   48 o  437.338  154.265   4.6152   2.6297   2.8049   5.9014   5.0637   2.9375  384.213  182.266  447.294  162.406 -63.08142 244.1248 
1 1 1    9    5   50 o  1289.09  204.959   52.015   7.9961   0.0000   0.0000   52.015   7.9961  ?   ?   1289.09  204.959 0.000000 204.9591 
1 1 1    9    5   52 o  430.459  175.530   8.2691   3.7327   0.0000   0.0000   8.2691   3.7327  ?   ?   430.459  175.530 0.000000 175.5303 
1 1 1    9    5   54 o  501.251  214.119   23.464   5.9514   0.0000   0.0000   23.464   5.9514  ?   ?   501.251  214.119 0.000000 214.1193 
1 1 1    9    5   56 o  226.678  113.491   0.5289   3.4122   4.0808   8.2434  -0.2055   3.7484  ?   ?   222.961  112.562 0.000000 112.5623 
1 1 1    9    6    1 o  2395.97  113.102   90.428   8.4853   90.428   8.4853   0.0000   0.0000  2395.97  113.102  ?   ?  0.000000 113.1022 
1 1 1    9    6    3 o  4559.69  137.177  328.670   19.585  308.851   23.991  368.272   33.913  4407.23  173.844  4787.08  226.244 -379.8564 285.3213 
1 1 1    9    6    5 o  3298.24  193.096  174.439   19.855  174.439   19.855   0.0000   0.0000  3298.24  193.096  ?   ?  0.000000 193.0961 
1 1 1    9    6    7 o  1814.78  147.726   52.573   8.3217   52.573   8.3217   0.0000   0.0000  1814.78  147.726  ?   ?  0.000000 147.7257 
1 1 1    9    6    9 o  2117.90  107.729   70.925   7.1206   62.795   10.054   79.106   10.086  1979.45  163.679  2228.30  145.353 -248.8453 218.9027 
1 1 1    9    6   11 o  1652.48   81.973   42.953   4.2415   41.862   5.1950   45.134   7.3460  1626.06  102.556  1680.61  140.895 -54.54395 174.2672 
1 1 1    9    6   13 o  552.095   99.782   4.9555   1.6615   5.4380   2.3516   4.4744   2.3478  574.016  133.377  521.672  140.562 52.34406 193.7710 
1 1 1    9    6   15 o  1843.19   72.730   53.466   4.1976   51.695   5.9370   55.236   5.9356  1804.28  105.546  1866.11  101.967 -61.83557 146.7554 
1 1 1    9    6   17 o  1873.64   73.556   55.344   4.3154   58.481   6.1123   52.227   6.0935  1917.24  102.184  1809.80  108.021 107.4391 148.6945 
1 1 1    9    6   19 o  1647.81   71.021   42.869   3.6645   39.786   5.1873   45.941   5.1774  1576.13  105.720  1696.78   97.863 -120.6494 144.0623 
1 1 1    9    6   21 o  699.303   79.082   7.8487   1.7012   6.9373   2.8509   8.3528   2.1201  640.099  145.531  717.486   96.840 -77.38751 174.8064 
1 1 1    9    6   23 o  590.690   84.089   5.6567   1.5114   5.1692   1.8735   6.5654   2.5578  557.539  111.212  623.602  134.911 -66.06244 174.8405 
1 1 1    9    6   25 o  604.161   71.888   5.8712   1.3333   5.8246   1.9048   5.9159   1.8668  592.801  106.535  598.439  103.360 -5.638000 148.4350 
1 1 1    9    6   27 o  478.669   84.656   3.7715   1.2224   4.1227   1.8065   3.4748   1.6603  492.734  118.534  452.862  116.435 39.87195 166.1546 
1 1 1    9    6   29 o  1355.49   72.349   29.430   3.0596   27.680   4.3431   31.154   4.3110  1296.70  107.947  1380.58  100.413 -83.88196 147.4289 
1 1 1    9    6   31 o  1183.39  110.794   23.197   4.0577   27.493   5.8576   19.233   5.6263  1260.74  151.408  1031.81  180.728 228.9355 235.7690 
1 1 1    9    6   33 f  1023.62  119.466   17.517   3.7571   19.163   5.4001   15.973   5.2307  1038.22  172.140  937.729  184.713 100.4869 252.4895 
1 1 1    9    6   35 f  466.444  111.869   3.7138   1.6128   8.7821   3.8956   2.6652   1.7718  692.473  178.521  399.919  126.400 292.5534 218.7384 
1 1 1    9    6   37 o  1335.64  123.461   30.098   5.1050   35.170   6.9773   24.255   7.4889  1410.77  160.824  1113.41  222.585 297.3558 274.6060 
1 1 1    9    6   39 o  1507.24   86.799   37.102   4.0792   41.550   7.2545   35.045   4.9329  1531.12  153.376  1447.09  109.681 84.02966 188.5581 
1 1 1    9    6   41 o  1626.47  110.865   44.630   5.6125   0.0000   0.0000   44.630   5.6125  ?   ?   1626.47  110.865 0.000000 110.8648 
1 1 1    9    6   43 o  382.934  132.986   2.4879   1.9500   0.0000   0.0000   2.4879   1.9500  ?   ?   382.934  132.986 0.000000 132.9855 
1 1 1    9    6   45 o  1436.14  123.596   37.503   5.5038   0.0000   0.0000   37.503   5.5038  ?   ?   1436.14  123.596 0.000000 123.5959 
1 1 1    9    6   47 f  472.703  153.887   5.0450   2.6124   0.0000   0.0000   5.0450   2.6124  ?   ?   472.703  153.887 0.000000 153.8873 
1 1 1    9    6   49 o  1581.20  102.519   48.033   5.0485   55.451   9.5744   45.176   5.9416  1216.81  259.225  1447.76  132.536 -230.9530 291.1410 
1 1 1    9    6   51 o  402.396  190.352   10.616   6.3492   8.4526   8.1635   13.928   10.101  359.742  179.411  373.351  188.025 -13.60803 259.8883 
1 1 1    9    6   53 o  489.940  169.270   9.1800   3.1573   29.377   8.5578   5.9977   3.3970  437.602  210.748  363.752  158.586 73.84979 263.7509 
1 1 1    9    6   55 o  320.754  149.754   6.7660   3.7107   0.0000   0.0000   6.7660   3.7107  ?   ?   320.754  149.754 0.000000 149.7539 
1 1 1    9    7    0 o  5364.68  155.402  456.227   26.105  452.696   31.964  463.299   45.237  5326.75  191.636  5332.48  271.827 -5.727051 332.5870 
1 1 1    9    7    2 o  3297.54  109.423  171.341   11.298  169.046   13.831  175.943   19.588  3269.90  135.086  3315.30  189.473 -45.39722 232.6978 
1 1 1    9    7    4 o  2255.40  111.340   80.198   7.8631   80.198   7.8631   0.0000   0.0000  2255.40  111.340  ?   ?  0.000000 111.3403 
1 1 1    9    7    6 o  1040.08   95.774   17.169   3.0841   17.169   3.0841   0.0000   0.0000  1040.08   95.774  ?   ?  0.000000 95.77439 
1 1 1    9    7    8 o  3319.80  194.271  177.149   20.107  177.149   20.107   0.0000   0.0000  3319.80  194.271  ?   ?  0.000000 194.2715 
1 1 1    9    7   10 o  704.103   81.935   7.9012   1.7726   8.5092   3.0191   7.5813   2.1898  720.752  138.813  685.513  105.393 35.23834 174.2892 
1 1 1    9    7   12 o  1167.97   67.286   21.504   2.4504   22.618   3.4785   20.406   3.4524  1194.25   93.773  1133.22   98.269 61.03491 135.8318 
1 1 1    9    7   14 o  612.903   70.517   5.9860   1.3287   6.5958   1.9018   5.4047   1.8570  638.937   98.203  575.453  106.995 63.48456 145.2300 
1 1 1    9    7   16 o  2369.43   92.990   88.833   6.8992   91.045   11.929   87.721   8.4570  2368.61  161.808  2348.01  115.027 20.60718 198.5276 
1 1 1    9    7   18 o  856.083   67.242   11.625   1.7880   12.108   2.5345   11.147   2.5228  868.363   94.751  831.873   98.781 36.48962 136.8773 
1 1 1    9    7   20 o  2540.32   94.513  102.754   7.5179   94.009   9.2114  120.199   13.010  2413.42  122.292  2706.37  154.165 -292.9531 196.7798 
1 1 1    9    7   22 o  3524.76  116.767  200.184   12.887  199.394   22.344  200.578   15.776  3406.20  210.531  3502.64  143.840 -96.43726 254.9769 
1 1 1    9    7   24 o  495.200   93.282   4.0421   1.3934   3.8426   1.7295   4.4109   2.3520  478.294  116.549  510.327  141.996 -32.03345 183.7025 
1 1 1    9    7   26 o  905.861   69.996   13.107   1.9700   14.626   2.7782   11.570   2.7939  949.758   94.681  838.869  108.937 110.8896 144.3323 
1 1 1    9    7   28 o  494.145   77.955   3.9943   1.1662   2.7425   1.6404   5.2735   1.6582  404.472  120.501  563.596   97.492 -159.1240 155.0009 
1 1 1    9    7   30 o  1176.80   73.441   22.211   2.6927   21.709   3.8176   22.709   3.7986  1147.98  107.453  1176.02  104.235 -28.03882 149.7031 
1 1 1    9    7   32 o  1409.81   86.028   32.081   3.7795   35.061   6.8882   30.798   4.5208  1426.55  156.792  1370.55  106.172 56.00427 189.3576 
1 1 1    9    7   34 o  747.354   88.628   9.1168   2.0336   10.632   4.2046   8.6542   2.3235  766.371  178.531  721.702  105.972 44.66876 207.6133 
1 1 1    9    7   36 o  2536.09   96.424  104.630   7.6572  116.076   13.397   99.077   9.3316  2572.35  167.235  2437.24  122.669 135.1182 207.4008 
1 1 1    9    7   38 o  377.067  177.205  -3.5857   5.3414   0.0000   0.0000  -3.5857   5.3414  ?   ?   377.067  177.205 0.000000 177.2048 
1 1 1    9    7   40 f  1656.86  197.352   52.387   10.037   0.0000   0.0000   52.387   10.037  ?   ?   1656.86  197.352 0.000000 197.3524 
1 1 1    9    7   42 o  921.862  245.911   19.105   7.2294   0.0000   0.0000   19.105   7.2294  ?   ?   921.862  245.911 0.000000 245.9109 
1 1 1    9    7   44 o  2994.19  157.658  170.613   14.729  206.448   20.742  134.164   20.919  3058.80  217.994  2149.43  320.625 909.3657 387.7133 
1 1 1    9    7   46 o  1028.01  283.039   35.370   9.3996   35.370   9.3996   0.0000   0.0000  1028.01  283.039  ?   ?  0.000000 283.0392 
1 1 1    9    7   48 o  632.908  232.694   15.748   6.0575   17.373   7.7924   13.267   9.6293  570.359  244.360  471.413  226.146 98.94647 332.9475 
1 1 1    9    7   50 o  346.746  170.295   2.7544   6.3844   7.0860   7.8568  -5.6662   10.954  378.419  186.448  ?   ?  0.000000 186.4481 
1 1 1    9    7   52 o  287.986  145.890  -1.6658   6.6841  -6.3144   8.1847   7.6424   11.582  ?   ?   ?   ?  0.000000      ? 
1 1 1    9    7   54 o  ?   ?    7.9696   9.2424   7.9696   9.2424   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    9    8    1 o  2350.72  112.540   87.106   8.2837   87.106   8.2837   0.0000   0.0000  2350.72  112.540  ?   ?  0.000000 112.5405 
1 1 1    9    8    3 o  4980.53  145.622  392.909   22.710  394.912   27.822  388.910   39.313  4978.77  178.464  4889.17  257.701 89.60449 313.4633 
1 1 1    9    8    5 o  677.203   81.216   7.3094   1.6878   8.1333   2.0746   5.6966   2.9027  712.675   95.358  588.624  155.253 124.0511 182.1991 
1 1 1    9    8    7 o  3262.52  108.723  167.851   11.107  171.024   13.607  161.516   19.226  3287.57  132.184  3169.83  194.641 117.7461 235.2827 
1 1 1    9    8    9 o  2619.44  118.454  108.438   9.7157  108.438   9.7157   0.0000   0.0000  2619.44  118.454  ?   ?  0.000000 118.4542 
1 1 1    9    8   11 o  2005.90   87.008   63.364   5.4649   63.083   6.6952   63.924   9.4598  1995.57  107.543  1997.27  152.413 -1.694336 186.5345 
1 1 1    9    8   13 o  1806.23  103.692   51.764   5.8400   56.306   8.2841   47.277   8.2341  1873.40  142.284  1711.67  155.322 161.7308 210.6414 
1 1 1    9    8   15 o  1476.84   70.168   34.350   3.2448   33.101   4.5997   35.588   4.5782  1441.42  102.581  1495.87   98.289 -54.45374 142.0686 
1 1 1    9    8   17 o  1204.84   77.301   23.023   2.9009   18.850   4.9431   25.216   3.5827  1069.34  151.898  1257.96   91.585 -188.6229 177.3719 
1 1 1    9    8   19 f  1116.12   68.236   19.737   2.3733   21.286   3.3568   18.190   3.3559  1153.34   93.762  1063.42  102.037 89.92517 138.5742 
1 1 1    9    8   21 o  982.161   78.816   15.384   2.4035   13.876   2.9438   18.398   4.1625  926.297  103.251  1059.97  128.006 -133.6776 164.4579 
1 1 1    9    8   23 o  391.138   90.432   2.5346   1.0854   2.8328   1.5030   2.2095   1.5692  412.751  112.991  372.639  119.079 40.11209 164.1550 
1 1 1    9    8   25 o  286.468   90.632   1.2974   0.9108   1.6237   1.2421   0.9178   1.3395  322.971  106.157  283.047  108.273 39.92398 151.6328 
1 1 1    9    8   27 o  748.748   93.751   9.1573   2.1498   6.0141   3.7534   10.692   2.6226  584.690  183.867  805.303  106.628 -220.6127 212.5478 
1 1 1    9    8   29 o  1073.20   83.392   18.581   2.7803   16.400   3.4818   22.421   4.6188  995.210  113.776  1156.57  129.779 -161.3586 172.5908 
1 1 1    9    8   31 o  677.323   81.098   7.4430   1.6858   7.7404   2.3963   7.1516   2.3720  678.907  116.943  650.540  120.896 28.36707 168.2008 
1 1 1    9    8   33 o  1647.03  107.543   44.338   5.5158   0.0000   0.0000   44.338   5.5158  ?   ?   1647.03  107.543 0.000000 107.5431 
1 1 1    9    8   35 o  911.473  223.508   15.965   6.3302   0.0000   0.0000   15.965   6.3302  ?   ?   911.473  223.508 0.000000 223.5081 
1 1 1    9    8   37 o  1585.60  194.300   46.201   9.4450   0.0000   0.0000   46.201   9.4450  ?   ?   1585.60  194.300 0.000000 194.2997 
1 1 1    9    8   39 o  491.128  187.148   3.8416   3.9923   3.1481   5.5686   4.5750   5.7265  505.905  211.112  543.084  218.872 -37.17892 304.0938 
1 1 1    9    8   41 o  1878.17  129.870   60.714   7.5908   69.943   10.672   51.265   10.799  1943.35  177.336  1596.95  221.959 346.3977 284.1020 
1 1 1    9    8   43 o  1004.22  180.942   19.814   5.4803   32.046   7.6339   6.8063   7.8724  1252.40  201.498  574.078  245.773 678.3177 317.8138 
1 1 1    9    8   45 o  1182.83  159.555   28.115   5.7587   44.782   8.4732   13.808   7.8505  1420.74  195.656  642.132  257.154 778.6087 323.1245 
1 1 1    9    8   47 o  381.800  178.952   1.7243   5.3860   3.9132   6.9484  -1.5707   8.5250  420.873  199.105  384.158  190.180 36.71567 275.3381 
1 1 1    9    8   49 o  490.488  227.809   16.303   8.4103   16.303   8.4103   0.0000   0.0000  490.488  227.809  ?   ?  0.000000 227.8093 
1 1 1    9    8   51 o  387.393  192.379   13.326   8.9845   13.326   8.9845   0.0000   0.0000  387.393  192.379  ?   ?  0.000000 192.3794 
1 1 1    9    8   53 o  333.646  169.152   13.040   9.1059   13.040   9.1059   0.0000   0.0000  333.646  169.152  ?   ?  0.000000 169.1521 
1 1 1    9    8   55 o  ?   ?    0.7552   8.0825  -8.5146   9.6587   22.411   14.763  ?   ?   ?   ?  0.000000      ? 
1 1 1    9    9    0 o  3871.14  214.214  241.064   25.865   0.0000   0.0000  241.064   25.865  ?   ?   3871.14  214.214 0.000000 214.2137 
1 1 1    9    9    2 o  2911.60  124.869  133.860   11.384  126.897   16.091  140.838   16.109  2815.41  183.527  2969.87  173.981 -154.4622 252.8864 
1 1 1    9    9    4 o  2829.44   99.824  126.056   8.8441  130.931   10.839  116.345   15.298  2879.95  120.194  2694.61  182.388 185.3345 218.4308 
1 1 1    9    9    6 o  1674.41  101.868   44.334   5.3155   40.648   7.5112   48.032   7.5234  1593.00  152.444  1735.80  139.601 -142.7968 206.7061 
1 1 1    9    9    8 o  3705.01  117.395  216.929   13.619  218.661   16.685  213.471   23.577  3711.24  143.575  3634.01  208.061 77.22998 252.7906 
1 1 1    9    9   10 o  1844.91   84.974   53.591   4.9088   54.776   6.0214   51.245   8.4759  1859.78  103.815  1786.62  152.983 73.15039 184.8821 
1 1 1    9    9   12 o  1395.22   99.600   30.920   4.3227   31.016   6.1558   30.827   6.0715  1386.74  143.859  1382.94  142.238 3.803711 202.3047 
1 1 1    9    9   14 o  1330.38   81.653   28.033   3.3850   29.338   4.1462   25.425   5.8617  1357.69   98.192  1248.43  153.162 109.2570 181.9345 
1 1 1    9    9   16 o  959.175   95.616   14.734   2.8335   11.710   3.9512   17.935   4.0656  837.822  156.363  1051.26  126.019 -213.4415 200.8236 
1 1 1    9    9   18 o  1240.18   98.342   24.617   3.7876   25.232   5.3012   23.975   5.4135  1242.64  138.603  1208.19  146.062 34.44971 201.3577 
1 1 1    9    9   20 o  983.137   80.751   15.415   2.4639   14.504   2.9972   17.314   4.3274  948.075  102.597  1025.33  138.317 -77.25940 172.2138 
1 1 1    9    9   22 f  428.349   98.591   3.0450   1.2949   2.5550   1.5454   4.2000   2.3729  394.934  116.796  500.665  143.783 -105.7319 185.2428 
1 1 1    9    9   24 o  390.564  113.032   2.5208   1.4614   2.8109   1.7752   1.9109   2.5738  413.625  125.839  393.661  150.205 19.96411 195.9516 
1 1 1    9    9   26 o  1561.68   86.011   39.144   4.1897   43.061   5.0907   30.922   7.3762  1631.15  100.154  1332.25  181.546 298.9056 207.3400 
1 1 1    9    9   28 o  1117.09  106.738   20.427   3.6881   22.022   4.8694   18.281   5.6485  1143.75  138.810  1014.36  184.641 129.3875 230.9983 
1 1 1    9    9   30 o  449.960  173.334   2.6512   3.4487   0.0000   0.0000   2.6512   3.4487  ?   ?   449.960  173.334 0.000000 173.3336 
1 1 1    9    9   32 o  2075.68  114.075   70.424   7.3858   71.409   10.141   69.312   10.778  2050.01  159.232  2005.18  173.370 44.83716 235.3975 
1 1 1    9    9   34 o  1180.15  125.375   23.197   4.5620   23.874   6.7562   22.629   6.1850  1152.33  194.145  1130.87  180.754 21.45386 265.2625 
1 1 1    9    9   36 o  850.070  174.524   13.004   4.4899   19.729   6.0499   4.7590   6.6989  1038.08  193.234  578.559  235.446 459.5178 304.5883 
1 1 1    9    9   38 o  1318.25  141.499   29.883   5.7494   39.892   7.9838   19.102   8.2862  1492.19  174.148  941.078  268.184 551.1094 319.7653 
1 1 1    9    9   40 o  482.905  182.942   3.7310   3.8008   5.3600   5.7097   2.4348   5.0932  561.486  221.085  476.873  200.635 84.61276 298.5516 
1 1 1    9    9   42 o  992.394  165.413   18.348   4.9592   25.006   7.2519   12.500   6.7968  1100.50  218.158  733.607  248.486 366.8896 330.6633 
1 1 1    9    9   44 o  1576.64  231.592   58.094   11.093   58.094   11.093   0.0000   0.0000  1576.64  231.592  ?   ?  0.000000 231.5917 
1 1 1    9    9   48 f  475.221  221.652   11.334   8.0972   11.334   8.0972   0.0000   0.0000  475.221  221.652  ?   ?  0.000000 221.6517 
1 1 1    9    9   50 f  446.582  207.840   12.361   7.0579   23.231   8.7398  -8.0168   11.967  525.620  239.731  ?   ?  0.000000 239.7313 
1 1 1    9    9   52 o  382.159  187.294   12.902   7.5958   2.2673   9.2358   35.130   13.352  ?   ?   396.496  201.401 0.000000 201.4012 
1 1 1    9    9   54 o  ?   ?    5.9660   8.1417   18.601   9.6235 -25.8508   15.271  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   10    1 o  3823.76  147.802  231.731   17.697  226.091   25.020  237.377   25.033  3746.34  214.179  3841.57  208.893 -95.23389 299.1799 
1 1 1    9   10    3 o  2847.94  178.023  129.836   15.796   0.0000   0.0000  129.836   15.796  ?   ?   2847.94  178.023 0.000000 178.0233 
1 1 1    9   10    5 o  3431.39  137.958  186.572   14.823  189.760   20.968  183.387   20.957  3434.70  195.775  3374.76  199.208 59.93823 279.3058 
1 1 1    9   10    7 o  422.677  115.433   2.9137   1.5709   4.0503   2.2740   1.8764   2.1725  498.298  139.969  381.716  139.503 116.5829 197.6167 
1 1 1    9   10    9 o  1517.19  100.138   36.493   4.7305   39.844   6.7361   33.232   6.6447  1577.18  137.782  1436.21  149.965 140.9695 203.6508 
1 1 1    9   10   11 o  2503.45  117.179   99.461   9.1856  101.694   13.001   97.235   12.980  2509.26  166.415  2451.71  170.126 57.54639 237.9848 
1 1 1    9   10   13 o  1555.16   82.160   38.273   3.9867   38.415   4.8900   37.993   6.8843  1553.81  101.057  1532.31  145.214 21.49500 176.9170 
1 1 1    9   10   15 o  1459.70  100.780   33.989   4.5781   33.989   4.5781   0.0000   0.0000  1459.70  100.780  ?   ?  0.000000 100.7797 
1 1 1    9   10   17 o  847.091   84.673   11.470   2.2158   14.033   2.7609   6.8325   3.7144  935.355   95.610  635.345  179.034 300.0102 202.9648 
1 1 1    9   10   19 o  2101.63  111.673   70.830   7.3225   76.713   10.308   64.838   10.403  2165.33  153.024  1980.26  169.409 185.0747 228.2883 
1 1 1    9   10   21 o  479.488  104.574   3.8137   1.5258   4.1544   1.8861   3.1682   2.5958  498.255  121.893  452.664  153.562 45.59128 196.0591 
1 1 1    9   10   23 o  1087.44  106.233   19.165   3.5711   24.879   4.9193   12.800   5.1923  1230.76  129.596  851.034  198.492 379.7269 237.0534 
1 1 1    9   10   25 o  1532.33  111.582   38.207   5.3171   47.912   7.3426   27.508   7.7097  1699.59  139.193  1244.21  205.035 455.3774 247.8183 
1 1 1    9   10   27 o  443.461  140.326   3.2495   2.1833   3.2495   2.1833   0.0000   0.0000  443.461  140.326  ?   ?  0.000000 140.3264 
1 1 1    9   10   29 o  887.487   95.610   12.792   2.6150   14.828   3.0886   7.6365   4.9145  952.754  105.288  655.027  210.881 297.7266 235.7039 
1 1 1    9   10   31 o  1804.11   88.178   52.101   4.9813   53.961   6.0347   48.125   8.8243  1824.33  106.101  1678.00  170.307 146.3319 200.6537 
1 1 1    9   10   33 o  974.266  137.227   15.978   4.0703   21.689   6.2123   11.682   5.3880  1108.77  185.486  795.064  212.394 313.7063 281.9861 
1 1 1    9   10   35 f  1966.88  120.906   63.918   7.4102   81.966   10.557   46.388   10.404  2192.45  154.773  1588.71  214.633 603.7362 264.6168 
1 1 1    9   10   37 o  2863.64  140.151  138.536   12.567  149.675   17.610  126.978   17.939  2871.98  197.016  2596.10  222.838 275.8789 297.4424 
1 1 1    9   10   39 o  472.884  205.775   1.2262   5.6959   1.2262   5.6959   0.0000   0.0000  472.884  205.775  ?   ?  0.000000 205.7745 
1 1 1    9   10   41 o  1504.75  209.323   44.356   9.5956   44.356   9.5956   0.0000   0.0000  1504.75  209.323  ?   ?  0.000000 209.3231 
1 1 1    9   10   43 o  1145.75  247.241   30.788   8.6098   30.788   8.6098   0.0000   0.0000  1145.75  247.241  ?   ?  0.000000 247.2413 
1 1 1    9   10   45 o  851.875  211.074   17.656   5.6015   28.132   8.3421   9.0549   7.5590  969.633  266.510  542.855  236.621 426.7781 356.3950 
1 1 1    9   10   47 o  367.072  175.267   0.3420   5.6381  -8.2595   7.3212   12.878   8.8383  325.939  163.618  516.175  237.524 -190.2366 288.4236 
1 1 1    9   10   49 o  542.493  236.311   17.149   7.5282   6.9775   9.1873   37.935   13.134  403.104  199.171  552.614  264.838 -149.5098 331.3732 
1 1 1    9   10   51 f  386.176  188.039   9.1936   7.3033   18.870   8.7816 -12.5116   13.152  443.424  213.536  ?   ?  0.000000 213.5361 
1 1 1    9   10   53 o  303.330  153.805   2.8447   7.5470   3.9876   8.9353  -0.0003   14.097  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   11    0 o  4792.08  174.511  366.171   26.186  353.313   37.024  379.040   37.040  4653.37  255.068  4827.10  245.874 -173.7295 354.2793 
1 1 1    9   11    2 o  3768.32  146.723  225.370   17.313  227.458   24.487  223.284   24.480  3754.32  209.132  3718.57  211.112 35.75024 297.1612 
1 1 1    9   11    4 o  3383.75  136.802  181.577   14.495  167.432   20.493  195.738   20.504  3218.18  204.423  3488.64  188.403 -270.4634 278.0011 
1 1 1    9   11    6 o  3024.33  128.145  145.027   12.135  152.507   17.179  137.578   17.145  3078.16  179.009  2918.74  188.602 159.4177 260.0284 
1 1 1    9   11    8 o  2014.60  108.419   64.386   6.8142   64.064   9.6648   64.705   9.6087  1995.72  155.898  2006.34  154.126 -10.61816 219.2236 
1 1 1    9   11   10 o  1296.25  100.114   26.733   4.0320   26.488   5.7533   26.969   5.6523  1278.86  146.308  1291.73  142.093 -12.87634 203.9517 
1 1 1    9   11   12 o  936.002  105.641   14.069   3.0420   14.332   4.5957   13.863   4.0583  929.451  163.899  918.903  145.923 10.54834 219.4460 
1 1 1    9   11   14 o  1350.62  104.256   29.144   4.3750   27.884   6.4097   30.243   5.9864  1303.28  160.455  1364.54  142.196 -61.25769 214.3957 
1 1 1    9   11   16 o  206.613   90.503  -0.2543   1.1180  -0.7907   1.4663   0.4904   1.7278  219.876   99.458  290.506  119.051 -70.63037 155.1290 
1 1 1    9   11   18 o  232.194   96.273   0.2263   1.1475   0.2092   1.4273   0.2576   1.9295  255.167  106.715  294.744  123.723 -39.57689 163.3868 
1 1 1    9   11   20 o  538.540  115.017   4.8196   1.8806   4.1039   2.4680   5.8104   2.9039  497.654  147.700  585.803  155.659 -88.14966 214.5813 
1 1 1    9   11   22 o  1088.45  108.563   19.198   3.6507   25.213   4.9800   12.211   5.3674  1240.24  130.176  829.803  207.200 410.4415 244.6995 
1 1 1    9   11   24 o  1055.37   89.526   17.912   2.9306   17.464   3.5149   18.933   5.3080  1035.04  110.143  1053.11  166.505 -18.07263 199.6379 
1 1 1    9   11   26 o  496.014  134.680   4.1745   2.1457   4.1745   2.1457   0.0000   0.0000  496.014  134.680  ?   ?  0.000000 134.6803 
1 1 1    9   11   28 o  1718.84   89.938   47.350   4.8237   52.841   5.8634   35.851   8.4850  1809.11  103.943  1435.64  193.695 373.4640 219.8228 
1 1 1    9   11   30 o  2571.40  102.790  106.363   8.2763  111.159   10.014   96.031   14.700  2614.21  122.340  2349.48  201.771 264.7251 235.9628 
1 1 1    9   11   32 o  1426.22   95.007   32.785   4.2186   35.000   5.0528   27.688   7.6645  1466.36  110.865  1249.07  202.931 217.2924 231.2407 
1 1 1    9   11   34 o  791.910  122.917   10.495   2.9491   10.495   2.9491   0.0000   0.0000  791.910  122.917  ?   ?  0.000000 122.9171 
1 1 1    9   11   36 o  1432.07  115.234   33.826   5.1235   33.826   5.1235   0.0000   0.0000  1432.07  115.234  ?   ?  0.000000 115.2342 
1 1 1    9   11   38 o  787.817  244.893   12.503   6.6801   12.503   6.6801   0.0000   0.0000  787.817  244.893  ?   ?  0.000000 244.8928 
1 1 1    9   11   40 o  2434.50  131.719  100.916   10.004  126.710   14.360   76.596   13.944  2651.29  173.938  1965.83  230.923 685.4598 289.1012 
1 1 1    9   11   42 o  693.944  205.824   10.160   4.7938   13.748   7.2257   7.3387   6.4068  748.875  256.194  589.036  233.473 159.8387 346.6197 
1 1 1    9   11   44 o  1849.97  145.579   65.157   8.3648   96.728   11.960   34.922   11.704  2162.98  178.167  951.852  326.054 1211.126 371.5568 
1 1 1    9   11   46 o  1484.48  284.284   71.238   12.733   71.238   12.733   0.0000   0.0000  1484.48  284.284  ?   ?  0.000000 284.2835 
1 1 1    9   11   48 o  439.873  218.483   9.7712   11.610   0.0000   0.0000   9.7712   11.610  ?   ?   439.873  218.483 0.000000 218.4827 
1 1 1    9   11   50 o  ?   ?   -5.2920   12.878   0.0000   0.0000  -5.2920   12.878  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   11   52 o  378.377  187.382   12.527   8.3022   23.882   10.072 -11.5368   14.663  419.133  207.356  ?   ?  0.000000 207.3563 
1 1 1    9   12    1 o  2364.72  113.982   88.381   8.4398   88.775   11.942   87.988   11.929  2353.11  163.087  2342.41  163.668 10.70068 231.0510 
1 1 1    9   12    3 o  2713.69  121.502  116.623   10.324  114.883   14.607  118.361   14.595  2671.53  175.589  2713.02  172.702 -41.49316 246.2872 
1 1 1    9   12    5 o  881.082  101.691   12.420   2.7540   11.960   3.9299   12.865   3.8606  853.334  152.681  887.914  143.772 -34.57990 209.7184 
1 1 1    9   12    7 o  676.005  114.943   7.4388   2.3459   7.9211   3.5606   7.0688   3.1185  688.836  166.847  651.807  155.050 37.02954 227.7678 
1 1 1    9   12    9 o  343.889  122.003   1.6349   1.6471   4.3787   3.0093   0.4614   1.9680  523.291  164.649  306.655  126.524 216.6364 207.6478 
1 1 1    9   12   11 o  2101.75  158.445   71.579   10.351   0.0000   0.0000   71.579   10.351  ?   ?   2101.75  158.445 0.000000 158.4447 
1 1 1    9   12   15 f  419.058  147.781   2.5160   2.4132   0.0000   0.0000   2.5160   2.4132  ?   ?   419.058  147.781 0.000000 147.7812 
1 1 1    9   12   17 o  1194.26  147.818   23.385   5.4096   0.0000   0.0000   23.385   5.4096  ?   ?   1194.26  147.818 0.000000 147.8175 
1 1 1    9   12   19 o  921.867  114.779   13.804   3.2414   12.951   4.9567   14.441   4.2846  868.478  187.743  931.185  152.205 -62.70654 241.6896 
1 1 1    9   12   21 o  1039.15   86.238   17.277   2.7807   16.160   3.3661   19.677   4.9344  998.199  109.491  1087.98  148.738 -89.78278 184.6924 
1 1 1    9   12   23 o  813.339   89.068   10.665   2.2313   9.7087   2.6453   13.024   4.1540  768.664  113.303  876.142  157.192 -107.4786 193.7697 
1 1 1    9   12   25 o  1035.79   92.528   17.268   2.9694   16.499   3.4029   19.722   6.0796  1006.74  109.724  1065.54  189.145 -58.80231 218.6668 
1 1 1    9   12   27 o  728.066  121.740   8.7886   2.6774   8.7886   2.6774   0.0000   0.0000  728.066  121.740  ?   ?  0.000000 121.7396 
1 1 1    9   12   29 o  2754.23  125.553  123.118   10.828  123.118   10.828   0.0000   0.0000  2754.23  125.553  ?   ?  0.000000 125.5530 
1 1 1    9   12   31 o  329.352  126.574   1.2460   1.8359   1.2460   1.8359   0.0000   0.0000  329.352  126.574  ?   ?  0.000000 126.5743 
1 1 1    9   12   33 o  2760.28  124.598  124.585   10.769  124.585   10.769   0.0000   0.0000  2760.28  124.598  ?   ?  0.000000 124.5978 
1 1 1    9   12   35 o  2206.71   98.275   78.605   6.7905   85.846   8.1821   62.578   12.172  2294.30  113.893  1861.77  212.611 432.5276 241.1953 
1 1 1    9   12   37 o  2492.09   97.951  100.568   7.6435  106.644   9.1796   86.831   13.802  2550.38  114.949  2193.24  203.284 357.1353 233.5330 
1 1 1    9   12   39 o  538.206  197.805   4.8926   4.3766   4.3854   6.2405   5.3836   6.1397  556.017  226.870  578.284  228.761 -22.26715 322.1828 
1 1 1    9   12   41 o  818.347  250.016   15.185   6.9969   0.0000   0.0000   15.185   6.9969  ?   ?   818.347  250.016 0.000000 250.0159 
1 1 1    9   12   43 o  348.495  169.173  -5.3756   5.7910   0.0000   0.0000  -5.3756   5.7910  ?   ?   348.495  169.173 0.000000 169.1732 
1 1 1    9   12   45 f  423.610  198.860   1.3945   6.6954   0.0000   0.0000   1.3945   6.6954  ?   ?   423.610  198.860 0.000000 198.8598 
1 1 1    9   12   47 o  348.383  176.080 -10.4890   9.3433   0.0000   0.0000 -10.4890   9.3433  ?   ?   348.383  176.080 0.000000 176.0798 
1 1 1    9   12   49 o  311.831  156.596  -5.9485   6.7390  -7.0092   8.0700  -3.5048   12.250  324.690  164.065  ?   ?  0.000000 164.0648 
1 1 1    9   12   51 o  399.733  195.418   10.723   8.1171   11.576   9.9717   9.0490   13.975  388.086  194.261  ?   ?  0.000000 194.2611 
1 1 1    9   13    0 o  318.570  118.116   1.2474   1.5666   2.7304   2.6314   0.4331   1.9498  439.129  154.370  304.855  125.873 134.2732 199.1835 
1 1 1    9   13    2 o  453.736  146.368   3.2003   2.3666   0.0000   0.0000   3.2003   2.3666  ?   ?   453.736  146.368 0.000000 146.3679 
1 1 1    9   13    4 o  498.668  129.652   4.0998   2.0433   3.3480   3.3773   4.5339   2.5662  489.330  174.584  525.799  149.040 -36.46869 229.5483 
1 1 1    9   13    6 o  2263.30  162.425   82.695   11.434   0.0000   0.0000   82.695   11.434  ?   ?   2263.30  162.425 0.000000 162.4254 
1 1 1    9   13    8 o  ?   ?   -3.1868   0.7113   0.0000   0.0000  -3.1868   0.7113  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   13   10 o  1841.05  152.551   54.807   8.7150   0.0000   0.0000   54.807   8.7150  ?   ?   1841.05  152.551 0.000000 152.5507 
1 1 1    9   13   12 o  1313.39  104.517   27.528   4.2627   29.030   6.3220   26.276   5.7723  1334.67  154.108  1271.02  147.796 63.64929 213.5250 
1 1 1    9   13   14 o  1078.82  107.957   18.674   3.5979   20.311   5.4303   17.393   4.8035  1110.09  160.917  1027.98  153.968 82.11084 222.7115 
1 1 1    9   13   16 o  1521.75  104.629   36.996   4.9552   42.728   7.2672   32.015   6.7742  1621.75  144.627  1397.18  157.597 224.5734 213.9012 
1 1 1    9   13   18 o  795.399  197.256   10.932   4.8888   0.0000   0.0000   10.932   4.8888  ?   ?   795.399  197.256 0.000000 197.2556 
1 1 1    9   13   20 o  1908.57  116.270   58.711   6.9154   56.601   9.7396   60.855   9.8205  1843.92  170.622  1915.83  165.324 -71.91846 237.5786 
1 1 1    9   13   22 o  997.241  132.974   16.393   4.0488   8.0710   5.6062   25.466   5.8535  685.981  225.538  1236.79  154.518 -550.8113 273.3922 
1 1 1    9   13   24 o  1117.57  185.828   21.400   6.2745   21.400   6.2745   0.0000   0.0000  1117.57  185.828  ?   ?  0.000000 185.8281 
1 1 1    9   13   26 o  1615.89  108.367   42.024   5.4513   42.024   5.4513   0.0000   0.0000  1615.89  108.367  ?   ?  0.000000 108.3669 
1 1 1    9   13   28 f  1125.71  104.210   20.446   3.6316   20.446   3.6316   0.0000   0.0000  1125.71  104.210  ?   ?  0.000000 104.2103 
1 1 1    9   13   30 o  697.830  107.452   7.9890   2.2726   7.2413   2.5205   11.239   5.2548  658.103  126.912  794.530  208.571 -136.4265 244.1484 
1 1 1    9   13   32 o  739.246  122.173   9.0877   2.7292   11.258   3.1170   1.9562   5.6498  823.634  124.769  508.460  212.451 315.1734 246.3793 
1 1 1    9   13   34 o  657.627  143.852   7.4150   2.8798   13.106   3.2380 -14.1203   6.2987  890.177  119.156  321.366  159.837 568.8116 199.3642 
1 1 1    9   13   36 o  1925.78  106.916   60.330   6.4218   74.149   7.7029   28.837   11.629  2128.55  116.010  1165.37  312.331 963.1735 333.1803 
1 1 1    9   13   38 o  802.897  134.512   11.021   3.2621   11.929   3.6271   7.1772   7.4613  830.822  144.681  646.376  253.284 184.4462 291.6941 
1 1 1    9   13   40 o  1447.26  210.752   40.733   9.2703   0.0000   0.0000   40.733   9.2703  ?   ?   1447.26  210.752 0.000000 210.7524 
1 1 1    9   13   42 o  1221.56  166.559   28.480   6.2048   38.673   9.2096   20.007   8.3966  1326.71  230.028  864.318  275.371 462.3907 358.8063 
1 1 1    9   13   44 o  645.632  225.230   10.968   5.5964   21.505   8.1728   1.6655   7.6793  833.531  272.231  454.672  213.291 378.8596 345.8359 
1 1 1    9   13   46 o  366.188  180.194  -4.1530   7.2618  -4.1530   7.2618   0.0000   0.0000  366.188  180.194  ?   ?  0.000000 180.1941 
1 1 1    9   13   48 o  643.774  256.163   19.546   7.7404   26.679   9.5033   5.4871   13.342  677.594  278.619  427.112  215.226 250.4817 352.0667 
1 1 1    9   13   50 o  350.530  174.483   0.2976   7.5689  -4.2014   8.8897   12.154   14.431  335.962  169.983  ?   ?  0.000000 169.9830 
1 1 1    9   13   52 o  345.756  173.722   5.5470   8.3535   0.3527   9.8341   19.007   15.830  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   14    1 o  3052.90  187.349  151.179   17.823   0.0000   0.0000  151.179   17.823  ?   ?   3052.90  187.349 0.000000 187.3494 
1 1 1    9   14    3 o  3385.57  199.607  186.848   21.067   0.0000   0.0000  186.848   21.067  ?   ?   3385.57  199.607 0.000000 199.6065 
1 1 1    9   14    5 o  2151.79  159.747   74.693   10.687   0.0000   0.0000   74.693   10.687  ?   ?   2151.79  159.747 0.000000 159.7474 
1 1 1    9   14    7 o  692.119  123.873   7.8375   2.5860   7.7359   4.1771   7.9006   3.2929  680.177  189.222  688.685  156.284 -8.507996 245.4171 
1 1 1    9   14    9 o  764.113  114.660   9.4661   2.6587   14.377   4.2807   6.3819   3.3924  935.871  151.234  619.003  169.876 316.8679 227.4417 
1 1 1    9   14   11 o  2207.08  167.153   79.105   11.466   79.105   11.466   0.0000   0.0000  2207.08  167.153  ?   ?  0.000000 167.1529 
1 1 1    9   14   13 o  587.758  155.426   5.7695   2.9043   5.9846   4.1525   5.5636   4.0634  607.372  193.667  589.615  191.924 17.75720 272.6571 
1 1 1    9   14   15 o  1094.02  122.653   19.354   4.1293   22.997   5.8998   15.855   5.7815  1180.06  164.109  964.775  198.016 215.2833 257.1815 
1 1 1    9   14   17 o  1658.70  113.382   44.150   5.8535   44.982   8.2449   43.304   8.3117  1654.19  161.228  1620.44  166.160 33.74951 231.5250 
1 1 1    9   14   19 o  542.363  194.056   4.3750   4.1756   4.3750   4.1756   0.0000   0.0000  542.363  194.056  ?   ?  0.000000 194.0564 
1 1 1    9   14   23 o  1180.89  183.694   23.605   6.5716   23.605   6.5716   0.0000   0.0000  1180.89  183.694  ?   ?  0.000000 183.6937 
1 1 1    9   14   25 o  1385.76  123.627   31.101   5.3081   27.771   7.1345   35.230   7.9440  1284.02  182.595  1450.65  178.664 -166.6283 255.4634 
1 1 1    9   14   27 o  1379.21  125.901   30.879   5.3773   31.553   7.4748   30.156   7.7414  1370.69  178.385  1333.20  190.889 37.48779 261.2660 
1 1 1    9   14   29 o  979.528  122.029   15.689   3.6617   15.689   3.6617   0.0000   0.0000  979.528  122.029  ?   ?  0.000000 122.0294 
1 1 1    9   14   31 o  363.825  126.983   1.9477   1.7790   1.4928   1.9005   5.1684   5.0573  345.328  129.686  582.228  212.836 -236.9003 249.2341 
1 1 1    9   14   33 o  2440.30  105.888   95.876   8.0911  107.065   9.7920   71.795   14.365  2567.36  121.806  1999.78  233.830 567.5824 263.6536 
1 1 1    9   14   35 o  1260.84  109.671   25.901   4.2867   29.833   4.9838   14.722   8.4038  1349.13  119.200  867.878  275.383 481.2548 300.0739 
1 1 1    9   14   37 o  1158.64  114.836   22.146   4.1114   25.471   4.6492   10.217   8.8061  1239.71  121.322  736.079  278.557 503.6335 303.8304 
1 1 1    9   14   39 o  1346.38  103.908   29.964   4.3467   34.664   4.8704   11.566   9.6363  1445.31  108.408  729.719  287.251 715.5866 307.0265 
1 1 1    9   14   41 o  1024.08  114.802   18.026   3.6179   20.372   4.0830   9.4501   7.8058  1082.70  122.595  639.084  256.249 443.6209 284.0647 
1 1 1    9   14   43 o  391.273  180.072  -0.2389   5.0821   3.0452   7.5795  -2.9211   6.8499  486.847  222.514  400.851  191.883 85.99585 293.8226 
1 1 1    9   14   45 o  621.318  229.104   11.132   5.8781   23.191   8.5925   0.5246   8.0589  815.105  279.374  433.500  207.674 381.6049 348.1066 
1 1 1    9   14   47 o  502.500  225.278   9.1480   7.3342   7.7945   9.2031   11.504   12.141  473.317  225.421  490.375  239.576 -17.05826 328.9547 
1 1 1    9   14   49 o  463.748  232.651   20.549   14.687   0.0000   0.0000   20.549   14.687  ?   ?   463.748  232.651 0.000000 232.6511 
1 1 1    9   14   51 o  ?   ?   -7.5078   14.942   0.0000   0.0000  -7.5078   14.942  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   15    0 o  1965.74  154.916   62.170   9.4581   0.0000   0.0000   62.170   9.4581  ?   ?   1965.74  154.916 0.000000 154.9160 
1 1 1    9   15    2 o  2196.94  111.705   76.622   7.6590   83.377   10.975   70.210   10.693  2277.83  154.797  2085.66  165.085 192.1731 226.3082 
1 1 1    9   15    4 o  1220.44  103.351   23.717   3.9124   27.282   5.8629   20.855   5.2532  1299.21  146.685  1132.47  151.977 166.7382 211.2190 
1 1 1    9   15    6 o  1839.60  104.549   53.716   5.9974   64.403   8.7388   44.200   8.2459  2004.44  140.114  1652.04  161.468 352.3975 213.7849 
1 1 1    9   15    8 o  1567.65  109.982   39.139   5.3645   35.440   7.5586   42.893   7.6147  1475.04  166.570  1629.70  150.934 -154.6550 224.7815 
1 1 1    9   15   10 o  1698.95  110.700   45.989   5.8569   44.517   8.2146   47.510   8.3529  1655.74  160.458  1712.02  157.585 -56.28003 224.8990 
1 1 1    9   15   12 o  850.701  185.132   12.218   4.7913   12.218   4.7913   0.0000   0.0000  850.701  185.132  ?   ?  0.000000 185.1316 
1 1 1    9   15   14 o  1575.81  163.094   40.660   7.9310   40.660   7.9310   0.0000   0.0000  1575.81  163.094  ?   ?  0.000000 163.0944 
1 1 1    9   15   16 o  863.855  196.403   12.800   5.1924   12.800   5.1924   0.0000   0.0000  863.855  196.403  ?   ?  0.000000 196.4030 
1 1 1    9   15   18 o  1159.10  182.883   22.596   6.4175   22.596   6.4175   0.0000   0.0000  1159.10  182.883  ?   ?  0.000000 182.8832 
1 1 1    9   15   20 f  841.356  152.469   11.808   3.8689   12.191   5.2044   11.336   5.7843  840.292  200.579  806.190  222.061 34.10193 299.2371 
1 1 1    9   15   24 o  286.506  134.837  -3.2065   3.1118  -0.2243   3.7992  -9.2855   5.4243  390.186  168.919  331.108  161.406 59.07858 233.6351 
1 1 1    9   15   26 o  265.537  127.097  -4.0145   3.0036  -6.3871   4.2544  -1.6568   4.2410  305.089  147.337  379.998  170.766 -74.90973 225.5417 
1 1 1    9   15   28 o  1646.04  121.884   43.779   6.2374   47.502   8.7525   39.937   8.8913  1692.44  167.351  1539.20  188.415 153.2389 252.0055 
1 1 1    9   15   30 o  635.876  191.227   6.9223   4.1169   16.080   5.7410  -2.7717   5.9068  961.776  197.253  433.054  197.346 528.7219 279.0235 
1 1 1    9   15   32 o  1489.36   95.181   35.564   4.4156   32.384   5.1439   44.469   8.6082  1412.28  117.384  1625.57  171.718 -213.2915 208.0049 
1 1 1    9   15   34 o  2193.17  100.876   77.212   6.9275   85.217   8.3341   59.315   12.461  2292.00  116.508  1829.03  222.137 462.9684 250.8363 
1 1 1    9   15   36 o  2029.21  105.238   66.805   6.6638   77.262   7.9055   41.135   12.386  2174.12  116.550  1441.05  284.592 733.0657 307.5331 
1 1 1    9   15   38 o  1398.76  111.027   32.384   4.8228   40.715   5.4504   2.3319   10.352  1568.70  111.690  598.130  267.935 970.5746 290.2825 
1 1 1    9   15   40 o  678.685  133.438   8.1722   2.7347   8.4804   2.9700   6.4560   7.0093  686.039  142.899  587.279  240.126 98.75934 279.4289 
1 1 1    9   15   42 o  377.548  134.715   2.4035   2.0110   1.7037   2.1048   9.7295   6.8105  346.921  134.917  628.059  243.121 -281.1381 278.0477 
1 1 1    9   15   44 o  425.379  203.080  -1.0739   7.5644   0.0000   0.0000  -1.0739   7.5644  ?   ?   425.379  203.080 0.000000 203.0803 
1 1 1    9   15   46 o  361.897  182.876 -13.7914   10.039   0.0000   0.0000 -13.7914   10.039  ?   ?   361.897  182.876 0.000000 182.8764 
1 1 1    9   15   48 o  ?   ?  -18.1596   13.505   0.0000   0.0000 -18.1596   13.505  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   15   50 o  704.748  281.332   32.201   9.3638   36.920   11.310   21.918   16.695  634.471  282.428  ?   ?  0.000000 282.4285 
1 1 1    9   16    1 o  1564.07  110.027   38.900   5.3542   41.227   7.5867   36.592   7.5574  1599.06  153.404  1502.74  163.235 96.32227 224.0051 
1 1 1    9   16    3 o  1977.56  113.234   62.145   6.9826   61.952   9.8848   62.337   9.8649  1959.30  162.590  1965.73  161.704 -6.437256 229.3111 
1 1 1    9   16    5 o  1825.73  112.564   53.013   6.4037   46.109   9.0738   59.864   9.0387  1683.47  174.676  1929.00  150.845 -245.5291 230.7943 
1 1 1    9   16    7 o  860.390  192.964   12.468   5.0705   12.468   5.0705   0.0000   0.0000  860.390  192.964  ?   ?  0.000000 192.9637 
1 1 1    9   16    9 o  311.868  144.292  -2.6453   3.3264  -2.6453   3.3264   0.0000   0.0000  311.868  144.292  ?   ?  0.000000 144.2917 
1 1 1    9   16   11 o  685.885  202.929   7.8781   4.6642   7.8781   4.6642   0.0000   0.0000  685.885  202.929  ?   ?  0.000000 202.9289 
1 1 1    9   16   13 o  918.127  185.122   14.221   5.1383   14.221   5.1383   0.0000   0.0000  918.127  185.122  ?   ?  0.000000 185.1217 
1 1 1    9   16   15 o  1348.20  120.907   29.241   5.0499   23.770   6.8800   35.631   7.4356  1190.28  191.060  1473.84  163.895 -283.5591 251.7249 
1 1 1    9   16   17 o  358.212  154.739  -0.2064   3.1742  -2.0236   4.0323   2.7544   5.1471  363.258  164.567  525.331  208.934 -162.0737 265.9623 
1 1 1    9   16   19 o  1054.18  140.350   18.144   4.5177   17.462   5.9877   19.044   6.8834  1015.53  195.395  1053.89  215.851 -38.35809 291.1541 
1 1 1    9   16   21 o  511.288  198.502   2.9464   4.5504   2.9464   4.5504   0.0000   0.0000  511.288  198.502  ?   ?  0.000000 198.5024 
1 1 1    9   16   23 o  802.990  245.978   11.077   6.7675   0.0000   0.0000   11.077   6.7675  ?   ?   802.990  245.978 0.000000 245.9780 
1 1 1    9   16   25 o  1126.70  142.603   20.755   4.9184   25.879   6.8351   15.253   7.0828  1245.47  180.527  931.243  241.030 314.2241 301.1406 
1 1 1    9   16   27 o  1297.66  104.665   26.995   4.2167   27.098   5.1310   26.781   7.4006  1292.61  128.473  1258.18  194.092 34.43262 232.7596 
1 1 1    9   16   29 o  1977.70  102.480   62.541   6.3245   74.142   7.6852   38.201   11.132  2148.23  114.665  1467.40  251.318 680.8293 276.2407 
1 1 1    9   16   31 o  906.507  234.587   14.754   6.7099   0.0000   0.0000   14.754   6.7099  ?   ?   906.507  234.587 0.000000 234.5871 
1 1 1    9   16   33 o  3006.28  120.930  146.066   11.384  177.258   13.866   81.582   19.937  3299.82  134.198  2052.87  320.645 1246.956 347.5949 
1 1 1    9   16   35 o  463.414  141.177   3.5871   2.2333   2.8818   2.3554   9.8618   7.0255  428.998  146.276  735.956  252.600 -306.9586 291.8966 
1 1 1    9   16   37 o  726.603  137.698   9.0944   3.0182   9.0865   3.2077   9.1555   8.9131  722.068  146.873  703.024  276.414 19.04346 313.0122 
1 1 1    9   16   39 f  780.164  147.013   10.852   3.4596   11.783   3.7456   5.4429   9.0276  809.531  153.379  600.804  260.243 208.7271 302.0785 
1 1 1    9   16   41 o  709.877  132.563   9.0394   2.8382   6.2565   3.0488   27.123   7.7717  571.006  162.658  1121.90  228.981 -550.8904 280.8739 
1 1 1    9   16   43 o  237.327  106.855  -0.4809   1.6699  -0.3291   1.7070  -3.8517   8.0459  244.894  109.314  419.773  202.696 -174.8793 230.2940 
1 1 1    9   16   45 o  397.860  195.903  -5.4700   8.6282  -5.4700   8.6282   0.0000   0.0000  397.860  195.903  ?   ?  0.000000 195.9026 
1 1 1    9   16   47 o  503.156  227.783   8.5216   7.7093  -2.5763   9.6556   28.037   12.804  406.457  201.429  643.987  292.341 -237.5300 355.0170 
1 1 1    9   16   49 o  439.876  211.664   7.3515   8.5868   18.046   10.060 -21.3467   16.480  526.212  245.981  ?   ?  0.000000 245.9809 
1 1 1    9   17    0 o  326.877  147.749  -1.6756   3.2290   0.0000   0.0000  -1.6756   3.2290  ?   ?   326.877  147.749 0.000000 147.7495 
1 1 1    9   17    4 o  617.261  198.029   6.0918   4.3366   6.0918   4.3366   0.0000   0.0000  617.261  198.029  ?   ?  0.000000 198.0288 
1 1 1    9   17    6 o  640.625  201.167   6.6672   4.4948   6.6672   4.4948   0.0000   0.0000  640.625  201.167  ?   ?  0.000000 201.1670 
1 1 1    9   17    8 o  1216.17  119.343   23.726   4.4862   29.513   6.4043   18.151   6.2861  1347.61  154.567  1038.76  200.526 308.8569 253.1829 
1 1 1    9   17   10 o  2856.36  129.323  130.152   11.567  128.699   16.348  131.608   16.367  2806.59  187.099  2839.50  185.096 -32.91772 263.1848 
1 1 1    9   17   12 o  884.377  145.871   12.853   3.8986   21.216   5.4281   3.9433   5.6030  1138.27  156.430  574.523  221.042 563.7476 270.7945 
1 1 1    9   17   14 o  571.109  179.118   5.2783   3.5647   2.7058   4.6256   9.0407   5.5938  508.135  199.337  734.057  223.391 -225.9216 299.3974 
1 1 1    9   17   16 o  561.047  179.199   5.0390   3.5541   5.7928   4.6968   4.0291   5.4364  610.288  206.562  572.433  218.327 37.85516 300.5573 
1 1 1    9   17   18 o  294.697  141.406  -5.2778   3.7700  -5.2778   3.7700   0.0000   0.0000  294.697  141.406  ?   ?  0.000000 141.4060 
1 1 1    9   17   20 o  632.866  184.805   6.6523   3.8908   8.0406   5.1121   4.7409   5.9984  696.038  213.882  607.831  229.930 88.20618 314.0277 
1 1 1    9   17   22 o  367.652  160.570  -0.5627   3.4962  -2.5611   4.4008   2.8567   5.7566  373.307  170.205  550.396  220.281 -177.0894 278.3760 
1 1 1    9   17   24 o  1666.51  124.773   44.595   6.4637   53.181   9.1263   35.953   9.1559  1805.38  163.205  1463.86  205.403 341.5226 262.3473 
1 1 1    9   17   26 o  952.191  128.425   14.772   3.7314   16.836   4.5857   10.728   6.4190  1011.14  149.330  788.942  239.124 222.2009 281.9221 
1 1 1    9   17   28 o  451.507  183.590   1.6061   4.0687  -6.0690   5.6451   9.9039   5.8696  377.803  178.945  757.594  228.447 -379.7912 290.1888 
1 1 1    9   17   30 o  1023.24  156.865   17.419   4.8657   29.118   6.6023   3.5126   7.1985  1325.68  162.451  600.368  244.167 725.3140 293.2709 
1 1 1    9   17   32 o  786.435  156.595   10.464   3.7207   14.075   4.3974   1.3655   6.9803  914.132  159.426  545.738  232.476 368.3940 281.8892 
1 1 1    9   17   34 o  1394.29  141.632   32.234   6.0976   47.637   7.9480   10.198   9.5064  1690.77  151.741  767.571  289.675 923.1976 327.0126 
1 1 1    9   17   36 o  778.388  194.637   11.099   4.7315   11.422   5.6245   10.317   8.7509  776.589  220.827  736.648  277.945 39.94110 354.9904 
1 1 1    9   17   38 o  838.793  148.300   12.405   3.7526   13.787   4.0924   5.1087   9.4051  881.628  153.840  612.084  265.379 269.5439 306.7452 
1 1 1    9   17   40 o  371.554  137.667   2.0964   2.1275   1.8506   2.1791   7.0956   9.8288  361.987  138.187  615.438  268.996 -253.4512 302.4141 
1 1 1    9   17   42 o  337.599  132.669   1.5180   2.0523   1.9985   2.1257  -5.0833   7.8790  361.665  136.861  415.424  200.592 -53.75888 242.8335 
1 1 1    9   17   44 o  578.830  228.691   8.5088   6.1287   23.295   8.5726  -6.9497   8.7652  886.365  277.734  402.653  198.106 483.7115 341.1483 
1 1 1    9   17   46 o  874.932  142.360   14.968   3.7660   16.170   3.9210   0.6467   13.529  909.891  142.284  472.847  235.030 437.0443 274.7429 
1 1 1    9   17   48 o  225.950  100.801  -0.1189   1.4493  -0.1189   1.4493   0.0000   0.0000  225.950  100.801  ?   ?  0.000000 100.8015 
1 1 1    9   18    1 o  1382.55  162.419   31.050   6.8973   31.050   6.8973   0.0000   0.0000  1382.55  162.419  ?   ?  0.000000 162.4186 
1 1 1    9   18    3 o  973.551  190.057   15.829   5.5858   15.829   5.5858   0.0000   0.0000  973.551  190.057  ?   ?  0.000000 190.0572 
1 1 1    9   18    5 o  2027.65  116.931   65.430   7.3925   67.872   10.466   62.998   10.443  2049.30  164.491  1971.46  170.860 77.83862 237.1721 
1 1 1    9   18    7 o  1395.24  117.365   31.101   5.0799   31.338   7.2111   30.867   7.1573  1385.81  169.727  1375.20  169.820 10.60620 240.0961 
1 1 1    9   18    9 o  580.608  175.450   5.4949   3.4594   7.7198   4.7539   2.9904   5.0437  683.294  205.491  532.685  208.381 150.6096 292.6588 
1 1 1    9   18   11 o  610.119  176.571   6.1430   3.5661   3.5234   4.8583   9.2032   5.2510  542.209  206.489  741.036  214.205 -198.8269 297.5258 
1 1 1    9   18   13 o  1665.99  121.615   44.295   6.3004   43.060   8.6008   45.724   9.2553  1627.44  171.353  1674.67  179.286 -47.23706 248.0022 
1 1 1    9   18   15 o  615.763  186.158   6.1936   3.8940   5.1256   5.0260   7.7973   6.1588  597.447  212.995  703.819  236.546 -106.3719 318.3094 
1 1 1    9   18   17 o  566.289  187.120   4.9892   3.8572   8.7479   5.0432  -0.3083   5.9871  723.964  210.113  491.058  212.321 232.9063 298.7101 
1 1 1    9   18   19 o  563.408  190.313   4.8551   3.9868  -1.3569   5.0554   15.074   6.4840  429.728  190.174  940.547  223.469 -510.8196 293.4354 
1 1 1    9   18   21 o  1091.84  121.166   19.176   4.0726   23.989   4.8281   7.3041   7.5827  1220.87  128.210  712.263  260.577 508.6025 290.4103 
1 1 1    9   18   23 o  457.093  167.736   2.7675   3.1454   1.0618   4.0128   5.4855   5.0654  436.694  180.463  607.059  214.104 -170.3643 280.0138 
1 1 1    9   18   25 o  1200.00  139.874   23.389   5.1572   24.342   7.5593   22.560   7.0535  1199.62  208.830  1156.49  202.141 43.13513 290.6395 
1 1 1    9   18   27 o  920.670  174.577   14.228   4.8486   17.511   6.9185   11.059   6.7971  1005.60  225.306  802.111  246.649 203.4901 334.0640 
1 1 1    9   18   29 o  1064.03  156.750   18.725   5.0660   26.936   6.7977   8.4663   7.5978  1272.37  175.274  731.997  261.781 540.3687 315.0399 
1 1 1    9   18   31 o  593.013  218.702   5.1035   5.3568   5.1035   5.3568   0.0000   0.0000  593.013  218.702  ?   ?  0.000000 218.7023 
1 1 1    9   18   33 o  1403.82  138.445   32.490   6.0064   31.394   7.8231   34.065   9.3745  1350.69  190.241  1385.23  223.753 -34.53723 293.6952 
1 1 1    9   18   35 o  862.075  297.034   15.286   9.7190   0.0000   0.0000   15.286   9.7190  ?   ?   862.075  297.034 0.000000 297.0335 
1 1 1    9   18   37 o  398.104  173.905   0.1949   4.1029  -0.4367   4.5404   3.0068   9.5800  402.125  178.978  593.713  262.316 -191.5879 317.5570 
1 1 1    9   18   39 o  567.039  178.385   6.0278   3.5326   7.5311   3.7743  -4.5940   10.033  628.629  181.572  494.277  235.392 134.3517 297.2843 
1 1 1    9   18   41 o  834.012  131.298   12.327   3.3155   11.893   3.4817   16.546   10.859  811.010  142.294  752.081  301.994 58.92981 333.8387 
1 1 1    9   18   43 o  491.789  229.200   1.5053   8.6312   1.5053   8.6312   0.0000   0.0000  491.789  229.200  ?   ?  0.000000 229.2001 
1 1 1    9   18   45 o  550.046  156.615   6.1461   2.8272   6.1461   2.8272   0.0000   0.0000  550.046  156.615  ?   ?  0.000000 156.6153 
1 1 1    9   19    0 o  741.036  151.618   9.0696   3.3995   8.6110   4.7293   9.5598   4.8901  718.910  201.820  755.348  202.580 -36.43750 285.9547 
1 1 1    9   19    2 o  1123.50  126.086   20.266   4.3591   24.101   6.2326   16.593   6.0990  1215.72  168.236  995.865  202.485 219.8508 263.2558 
1 1 1    9   19    4 o  951.629  137.038   14.681   3.9657   13.173   5.6497   16.145   5.5679  884.599  207.544  986.099  187.171 -101.4995 279.4769 
1 1 1    9   19    6 o  600.004  169.093   5.9279   3.3132   4.9394   4.6039   6.9896   4.7717  582.456  204.222  658.662  207.343 -76.20538 291.0290 
1 1 1    9   19    8 o  1095.34  135.286   19.336   4.5414   21.716   6.3142   16.786   6.5367  1149.69  181.412  999.109  215.292 150.5758 281.5336 
1 1 1    9   19   10 o  682.123  180.226   7.7378   3.9072   8.0779   5.2469   7.3144   5.8540  703.841  216.751  686.549  230.618 17.29144 316.4898 
1 1 1    9   19   12 o  583.854  186.178   5.3977   3.8375   4.2703   5.1377   6.8205   5.7716  575.567  213.801  669.514  228.969 -93.94653 313.2692 
1 1 1    9   19   14 o  306.689  143.628  -3.4076   3.4573  -0.6090   4.2723  -8.7175   5.8848  409.356  178.172  362.379  174.580 46.97702 249.4463 
1 1 1    9   19   16 o  739.067  223.359   9.0108   5.6065   9.0108   5.6065   0.0000   0.0000  739.067  223.359  ?   ?  0.000000 223.3595 
1 1 1    9   19   18 o  2019.46  122.562   64.919   7.7134   64.919   7.7134   0.0000   0.0000  2019.46  122.562  ?   ?  0.000000 122.5620 
1 1 1    9   19   20 o  873.071  146.503   12.487   3.8632   12.928   4.6184   11.461   7.0500  881.907  173.424  825.592  250.683 56.31561 304.8246 
1 1 1    9   19   22 o  1027.81  162.718   17.368   5.0624   18.001   7.4699   16.829   6.8844  1024.17  237.539  992.773  226.471 31.39569 328.1984 
1 1 1    9   19   24 o  911.063  178.952   13.879   4.9229   23.113   7.1514   5.5612   6.7871  1174.43  201.736  649.558  244.853 524.8717 317.2548 
1 1 1    9   19   26 o  358.277  170.993  -6.7263   5.3543   0.0000   0.0000  -6.7263   5.3543  ?   ?   358.277  170.993 0.000000 170.9932 
1 1 1    9   19   28 o  822.236  186.666   11.484   4.6961   18.278   6.3369   3.2066   6.9943  1036.80  202.455  594.338  241.060 442.4660 314.7980 
1 1 1    9   19   30 o  417.528  170.038   1.3089   3.4971   3.1819   4.1126  -3.5811   6.6453  501.171  190.194  454.072  207.839 47.09937 281.7280 
1 1 1    9   19   32 o  1047.65  219.403   19.519   6.9667   19.519   6.9667   0.0000   0.0000  1047.65  219.403  ?   ?  0.000000 219.4027 
1 1 1    9   19   34 o  357.330  161.260  -1.4155   3.8290   3.3530   4.2893 -20.1237   8.4960  500.317  193.146  361.270  180.611 139.0468 264.4344 
1 1 1    9   19   36 o  356.303  161.726  -1.4718   3.9170  -0.7734   4.3256  -4.6536   9.2331  389.177  173.844  498.000  233.699 -108.8234 291.2682 
1 1 1    9   19   38 f  388.541  166.741   0.7003   3.6391   1.5760   3.9081  -5.0117   9.9810  422.176  176.572  498.881  236.773 -76.70517 295.3627 
1 1 1    9   19   40 o  590.550  197.400   6.8268   4.2888   6.8268   4.2888   0.0000   0.0000  590.550  197.400  ?   ?  0.000000 197.3997 
1 1 1    9   19   42 o  334.978  153.815  -1.2396   3.6795  -1.2396   3.6795   0.0000   0.0000  334.978  153.815  ?   ?  0.000000 153.8148 
1 1 1    9   19   44 f  686.814  156.490   9.1932   3.2904   9.7004   3.4610   4.4241   10.612  702.111  160.874  533.638  250.462 168.4731 297.6768 
1 1 1    9   20    1 o  1013.67  136.297   16.568   4.2165   17.263   6.0376   15.906   5.8911  1020.99  195.980  978.357  199.075 42.63873 279.3546 
1 1 1    9   20    3 o  923.972  148.290   13.885   4.1452   11.492   5.9231   16.182   5.8031  828.998  223.215  988.227  194.464 -159.2294 296.0427 
1 1 1    9   20    5 o  954.049  152.313   14.810   4.3971   18.335   6.0535   10.872   6.3977  1054.61  190.317  810.049  237.100 244.5659 304.0343 
1 1 1    9   20    7 o  424.589  170.335   1.4100   3.4511   1.0625   4.3556   1.9961   5.6566  455.909  188.177  532.500  216.490 -76.59067 286.8424 
1 1 1    9   20    9 o  821.667  169.178   11.148   4.2077   5.5629   5.6660   18.015   6.2828  630.499  226.003  1042.80  199.685 -412.3015 301.5814 
1 1 1    9   20   11 o  1035.56  151.735   17.392   4.7742   21.728   6.4054   11.973   7.1611  1151.73  183.791  848.779  251.519 302.9552 311.5143 
1 1 1    9   20   13 o  1010.76  158.910   16.648   4.8634   26.233   6.5177   4.6060   7.3054  1271.69  167.777  647.337  251.460 624.3543 302.2939 
1 1 1    9   20   15 o  614.464  193.824   6.0200   4.1679   3.3982   5.3956   9.8990   6.5629  558.868  216.381  778.430  242.860 -219.5621 325.2722 
1 1 1    9   20   17 o  1527.18  107.313   37.022   5.0991   37.758   5.9907   35.087   9.7146  1538.53  125.444  1455.07  220.094 83.45862 253.3329 
1 1 1    9   20   19 o  830.785  182.518   11.519   4.6183   7.1213   6.0962   17.442   7.0750  683.785  235.266  1014.82  228.190 -331.0338 327.7514 
1 1 1    9   20   21 o  1418.80  138.964   32.353   6.0944   38.427   8.8312   26.831   8.4208  1532.10  188.031  1265.62  220.502 266.4829 289.7874 
1 1 1    9   20   23 o  661.927  206.029   7.1425   4.7264   10.384   6.8874   4.2577   6.4978  791.271  249.107  611.544  237.266 179.7267 344.0198 
1 1 1    9   20   25 o  1353.92  201.089   30.478   8.2661   0.0000   0.0000   30.478   8.2661  ?   ?   1353.92  201.089 0.000000 201.0888 
1 1 1    9   20   27 o  586.427  181.364   5.6194   3.6691   6.6601   4.4289   3.3422   6.5510  637.047  199.630  586.364  234.878 50.68304 308.2531 
1 1 1    9   20   29 o  1523.54  115.927   37.296   5.4889   41.417   6.6019   28.070   9.8781  1599.66  133.009  1257.08  259.551 342.5786 291.6473 
1 1 1    9   20   31 o  1063.06  147.821   18.785   4.7874   20.929   5.6377   13.245   9.0647  1114.76  166.625  851.667  286.972 263.0933 331.8385 
1 1 1    9   20   33 o  522.271  219.857   1.9893   6.1213   1.9893   6.1213   0.0000   0.0000  522.271  219.857  ?   ?  0.000000 219.8569 
1 1 1    9   20   35 o  496.923  200.509   2.8758   4.8122   2.8758   4.8122   0.0000   0.0000  496.923  200.509  ?   ?  0.000000 200.5092 
1 1 1    9   20   37 o  547.615  243.750   1.3007   8.4231   1.3007   8.4231   0.0000   0.0000  547.615  243.750  ?   ?  0.000000 243.7504 
1 1 1    9   20   39 o  600.222  191.690   6.8373   4.0669   8.4882   4.3501  -4.6193   11.459  662.454  195.970  527.128  251.184 135.3260 318.5874 
1 1 1    9   20   41 o  369.942  164.776  -0.1280   3.8561  -1.0446   4.0891   7.2344   11.589  360.665  164.296  627.097  282.003 -266.4323 326.3721 
1 1 1    9   20   43 o  611.179  282.039   8.7553   12.587   0.0000   0.0000   8.7553   12.587  ?   ?   611.179  282.039 0.000000 282.0387 
1 1 1    9   21    0 o  506.091  178.734   3.5819   3.5312   10.079   5.0945  -2.4263   4.8991  779.375  205.735  405.090  182.647 374.2851 275.1123 
1 1 1    9   21    2 o  826.342  169.586   11.244   4.2409   5.5699   5.8971   17.321   6.1034  638.076  230.349  1024.52  197.411 -386.4468 303.3674 
1 1 1    9   21    4 o  1133.58  140.059   20.635   4.8657   24.347   6.7515   16.622   7.0187  1223.34  181.778  996.904  229.584 226.4354 292.8348 
1 1 1    9   21    6 o  1189.72  138.928   22.694   5.0780   18.331   6.9031   27.840   7.4964  1050.01  217.128  1307.90  188.490 -257.8889 287.5287 
1 1 1    9   21    8 o  865.670  171.975   12.335   4.4973   5.7027   6.0020   20.825   6.7912  644.121  232.409  1124.68  200.177 -480.5626 306.7329 
1 1 1    9   21   10 o  555.329  179.592   4.7891   3.5613   3.7772   4.2926   7.0234   6.3786  536.545  196.093  690.827  240.486 -154.2816 310.2997 
1 1 1    9   21   12 o  462.978  177.274   2.3663   3.5930   4.4316   4.1804  -3.4728   7.0291  555.902  194.620  482.405  218.025 73.49710 292.2534 
1 1 1    9   21   14 o  591.498  205.418   5.1118   4.6527   6.3261   5.9680   3.2301   7.4291  660.355  232.452  620.348  249.546 40.00720 341.0385 
1 1 1    9   21   16 o  968.906  248.781   15.899   7.5867   0.0000   0.0000   15.899   7.5867  ?   ?   968.906  248.781 0.000000 248.7811 
1 1 1    9   21   18 o  824.096  253.059   11.218   7.1578   0.0000   0.0000   11.218   7.1578  ?   ?   824.096  253.059 0.000000 253.0594 
1 1 1    9   21   20 o  664.560  198.755   7.2262   4.4564   7.3957   6.3350   7.0602   6.2701  697.490  239.839  686.327  238.459 11.16327 338.2094 
1 1 1    9   21   22 o  525.506  196.451   3.4632   4.3512  -0.9136   6.2105   7.6829   6.0981  489.633  213.922  701.117  235.378 -211.4835 318.0648 
1 1 1    9   21   24 o  543.954  187.938   4.3949   3.8921   7.2371   4.7429  -1.4655   6.8106  665.659  206.257  502.125  221.546 163.5345 302.6956 
1 1 1    9   21   26 o  1516.11  139.061   37.076   6.5281   45.021   8.7775   27.243   9.7655  1659.95  171.337  1252.88  257.532 407.0706 309.3202 
1 1 1    9   21   28 f  1030.62  143.647   17.437   4.5096   17.470   5.4712   17.368   7.9645  1019.72  177.815  987.943  255.538 31.77814 311.3166 
1 1 1    9   21   30 o  1497.38  203.936   38.437   9.3132   38.437   9.3132   0.0000   0.0000  1497.38  203.936  ?   ?  0.000000 203.9355 
1 1 1    9   21   32 f  1689.31  199.297   49.484   10.339   49.484   10.339   0.0000   0.0000  1689.31  199.297  ?   ?  0.000000 199.2972 
1 1 1    9   21   34 o  5068.94  180.945  441.813   28.720  441.813   28.720   0.0000   0.0000  5068.94  180.945  ?   ?  0.000000 180.9455 
1 1 1    9   21   36 o  617.757  204.012   6.8944   4.5853   5.1857   5.0537   14.851   10.905  565.549  211.658  829.716  310.838 -264.1671 376.0579 
1 1 1    9   21   38 o  570.286  198.287   5.8470   4.3359   5.1675   4.6640   10.172   11.767  550.577  203.868  720.098  304.071 -169.5209 366.0896 
1 1 1    9   21   40 o  453.404  186.013   2.5062   4.2239   2.1189   4.4678   5.7645   12.960  449.956  188.539  642.722  292.672 -192.7660 348.1430 
1 1 1    9   21   42 o  719.106  207.078   10.771   4.9158   11.863   5.2958   3.9694   13.215  748.218  214.781  594.957  279.323 153.2612 352.3519 
1 1 1    9   22    1 o  482.730  183.171   2.6568   3.8142   0.1246   5.3602   5.2540   5.4286  478.903  203.855  617.713  221.240 -138.8100 300.8386 
1 1 1    9   22    3 o  808.651  175.420   10.784   4.3140   13.233   5.7720   7.6859   6.4934  892.265  210.073  714.638  242.872 177.6274 321.1192 
1 1 1    9   22    5 o  1219.95  119.749   23.691   4.5154   22.579   5.4814   26.037   7.9647  1184.82  151.196  1260.03  209.208 -75.20801 258.1247 
1 1 1    9   22    7 o  1155.34  169.936   21.643   5.9640   26.677   8.4122   16.556   8.4568  1272.83  218.964  992.894  266.454 279.9346 344.8807 
1 1 1    9   22    9 o  356.797  166.300  -4.1754   4.5453  -2.6384   6.6881  -5.4945   6.1961  482.611  215.831  418.079  194.629 64.53238 290.6263 
1 1 1    9   22   11 o  1199.35  233.689   23.941   8.4607   23.941   8.4607   0.0000   0.0000  1199.35  233.689  ?   ?  0.000000 233.6895 
1 1 1    9   22   13 o  436.112  173.931   1.5746   3.5760  -0.1473   4.1640   6.4134   6.9801  416.362  178.511  686.924  250.205 -270.5619 307.3581 
1 1 1    9   22   15 o  418.893  171.739   0.9913   3.5975   4.1862   4.2296  -7.3666   6.8409  548.684  195.414  421.826  198.945 126.8577 278.8654 
1 1 1    9   22   17 o  751.720  165.727   9.3435   3.7959   5.8146   4.7050   15.923   6.4246  617.506  206.754  975.933  215.953 -358.4269 298.9702 
1 1 1    9   22   19 o  678.105  178.157   7.6214   3.8320   11.204   4.7108   0.6153   6.5881  820.350  187.485  536.198  227.028 284.1516 294.4356 
1 1 1    9   22   21 o  851.235  195.503   12.121   5.1012   10.138   6.9955   14.373   7.4547  789.354  251.333  920.662  251.478 -131.3077 355.5416 
1 1 1    9   22   23 o  452.440  204.800  -3.0627   6.2300   0.0000   0.0000  -3.0627   6.2300  ?   ?   452.440  204.800 0.000000 204.8000 
1 1 1    9   22   25 o  742.166  212.911   9.3038   5.2055   9.3038   5.2055   0.0000   0.0000  742.166  212.911  ?   ?  0.000000 212.9108 
1 1 1    9   22   27 o  737.178  257.119   8.7558   7.2932   8.7558   7.2932   0.0000   0.0000  737.178  257.119  ?   ?  0.000000 257.1191 
1 1 1    9   22   29 o  585.523  220.550   4.7456   5.5045   7.4600   7.1354   0.7558   8.6508  691.748  252.819  587.332  254.581 104.4162 358.7882 
1 1 1    9   22   31 o  377.704  177.486  -4.7841   5.3559  -2.9450   6.5267  -8.5762   9.3720  452.984  206.822  484.026  229.639 -31.04156 309.0456 
1 1 1    9   22   33 o  532.787  204.744   3.8892   4.8036   4.5170   5.3834   1.4365   10.641  564.748  216.813  627.828  276.972 -63.07892 351.7405 
1 1 1    9   22   35 o  426.548  185.576   0.1971   4.6309  -1.9377   5.0771   10.764   11.296  403.186  183.436  769.088  308.298 -365.9026 358.7426 
1 1 1    9   22   37 o  914.325  186.611   15.187   5.1618   19.517   5.6451  -6.9007   12.750  1045.02  178.953  557.248  265.375 487.7741 320.0746 
1 1 1    9   22   39 o  334.507  156.554  -2.9482   4.0960  -3.4149   4.3502   0.7002   12.162  339.018  159.513  598.993  276.704 -259.9746 319.3891 
1 1 1    9   22   41 o  395.672  193.289  -9.4632   7.8970  -4.6455   10.177 -16.7548   12.520  493.213  235.489  457.750  227.281 35.46286 327.2788 
1 1 1    9   23    0 o  944.141  150.312   14.435   4.2947   14.008   5.3822   15.185   7.1257  921.667  192.696  954.405  238.975 -32.73761 306.9863 
1 1 1    9   23    2 o  805.247  208.777   10.734   5.3081   10.674   8.2645   10.776   6.9253  828.287  273.911  815.617  248.636 12.67010 369.9283 
1 1 1    9   23    4 o  871.364  204.208   12.587   5.4745   21.980   8.1612   4.9029   7.3816  1150.81  234.441  661.408  253.893 489.4034 345.5783 
1 1 1    9   23    6 o  1718.69  141.486   46.985   7.5466   36.743   10.585   57.573   10.763  1496.66  233.481  1894.33  183.756 -397.6731 297.1192 
1 1 1    9   23    8 o  404.410  171.652   0.1224   3.7811  -1.5260   4.4925   4.1265   7.0018  402.679  178.686  631.512  245.940 -228.8323 303.9982 
1 1 1    9   23   10 o  1016.84  147.827   16.692   4.5689   19.655   5.4930   10.039   8.2305  1101.61  164.268  809.571  273.444 292.0396 318.9918 
1 1 1    9   23   12 o  568.142  190.995   4.8393   4.0152   6.1762   4.6313   0.7930   8.0571  630.769  204.876  594.756  251.402 36.01270 324.3107 
1 1 1    9   23   14 o  623.646  183.680   6.3026   3.8290   5.5918   4.5899   7.9294   6.9437  608.542  204.208  729.203  251.078 -120.6616 323.6371 
1 1 1    9   23   16 o  645.019  186.365   6.7895   3.9756   2.9561   4.9444   13.800   6.6867  533.088  206.931  907.892  233.800 -374.8038 312.2229 
1 1 1    9   23   18 o  526.203  204.617   2.8694   4.8410   5.7766   6.6400  -0.4292   7.0728  660.744  243.521  535.042  231.054 125.7019 335.6909 
1 1 1    9   23   20 o  440.617  191.646  -0.6595   4.9361  -0.6595   4.9361   0.0000   0.0000  440.617  191.646  ?   ?  0.000000 191.6460 
1 1 1    9   23   22 o  797.852  216.307   10.731   5.5396   10.731   5.5396   0.0000   0.0000  797.852  216.307  ?   ?  0.000000 216.3065 
1 1 1    9   23   24 o  1353.16  127.378   29.428   5.3336   33.655   6.5277   20.938   9.2512  1442.10  146.598  1092.19  271.639 349.9050 308.6726 
1 1 1    9   23   26 o  369.857  174.463  -5.4242   5.2646   1.7987   7.1553 -13.9499   7.7738  569.036  238.524  388.709  190.285 180.3272 305.1264 
1 1 1    9   23   28 o  1034.49  286.634   19.712   9.6051   0.0000   0.0000   19.712   9.6051  ?   ?   1034.49  286.634 0.000000 286.6342 
1 1 1    9   23   30 o  599.321  230.473   4.8419   6.0895   3.6357   7.6167   6.9788   10.138  608.723  249.766  726.579  291.780 -117.8560 384.0817 
1 1 1    9   23   32 o  737.130  256.372   9.5455   7.2484   16.633   9.4474  -0.5973   11.302  927.405  291.717  623.551  279.591 303.8547 404.0668 
1 1 1    9   23   34 o  907.756  254.431   15.771   7.5226   22.373   10.045   7.3384   11.352  1053.85  293.517  725.457  301.965 328.3936 421.1120 
1 1 1    9   23   36 o  657.134  216.204   7.8391   5.1514   10.582   5.6347  -6.1253   12.714  750.181  223.293  574.119  270.907 176.0616 351.0704 
1 1 1    9   23   38 o  530.349  202.452   4.3666   4.6771   2.6642   5.0687   14.126   12.136  492.611  203.126  800.964  320.095 -308.3531 379.1057 
1 1 1    9   24    1 o  1073.91  194.817   18.872   6.3098   7.3333   9.2524   28.905   8.6272  765.552  286.413  1330.78  214.314 -565.2286 357.7184 
1 1 1    9   24    3 o  1979.62  111.446   61.854   6.8801   61.844   8.3457   61.875   12.155  1975.63  135.733  1962.44  200.625 13.18384 242.2267 
1 1 1    9   24    5 o  1190.39  139.322   22.658   5.0949   21.333   6.0630   25.842   9.3987  1147.75  174.173  1248.29  249.184 -100.5431 304.0214 
1 1 1    9   24    7 o  1457.12  155.836   33.947   6.9999   43.376   9.9182   24.589   9.8807  1640.12  197.071  1212.89  267.364 427.2286 332.1450 
1 1 1    9   24    9 o  955.422  166.939   14.869   4.8125   14.784   5.8281   15.052   8.5318  945.992  202.844  953.159  272.302 -7.167480 339.5496 
1 1 1    9   24   11 o  1096.84  146.442   19.344   4.9039   22.525   5.9354   12.502   8.7048  1181.25  164.970  882.885  280.284 298.3640 325.2299 
1 1 1    9   24   13 o  1312.91  158.200   27.694   6.3727   27.694   6.3727   0.0000   0.0000  1312.91  158.200  ?   ?  0.000000 158.2002 
1 1 1    9   24   15 o  1171.75  171.592   22.275   6.1092   22.275   6.1092   0.0000   0.0000  1171.75  171.592  ?   ?  0.000000 171.5924 
1 1 1    9   24   17 o  1215.39  176.833   24.035   6.5324   24.035   6.5324   0.0000   0.0000  1215.39  176.833  ?   ?  0.000000 176.8331 
1 1 1    9   24   19 o  641.263  221.747   6.1260   5.4190   9.7813   7.5853   2.3160   7.7443  786.567  262.524  609.338  251.147 177.2294 363.3097 
1 1 1    9   24   21 o  714.222  196.956   8.5241   4.5473   10.537   5.7087   5.0298   7.5215  791.232  221.599  658.914  255.377 132.3179 338.1171 
1 1 1    9   24   23 o  561.180  217.141   3.6038   5.4309   1.9089   7.7627   5.2288   7.6008  595.361  248.918  661.557  256.631 -66.19653 357.5187 
1 1 1    9   24   25 o  777.554  196.937   10.309   4.8001   11.705   5.8933   7.5577   8.2736  824.240  222.956  725.696  270.969 98.54352 350.9039 
1 1 1    9   24   27 o  1278.35  149.883   26.775   5.8857   26.945   6.9985   26.365   10.878  1269.91  181.135  1201.22  292.048 68.68262 343.6599 
1 1 1    9   24   29 o  888.732  318.466   13.979   11.250   0.0000   0.0000   13.979   11.250  ?   ?   888.732  318.466 0.000000 318.4659 
1 1 1    9   24   31 o  775.659  314.446   8.3932   11.895   0.0000   0.0000   8.3932   11.895  ?   ?   775.659  314.446 0.000000 314.4460 
1 1 1    9   24   33 o  476.462  217.841  -3.0282   7.2722   0.0003   9.6742  -6.9627   11.027  590.773  262.179  544.544  255.494 46.22809 366.0807 
1 1 1    9   24   35 o  602.448  225.806   5.6931   5.7561   5.6931   5.7561   0.0000   0.0000  602.448  225.806  ?   ?  0.000000 225.8060 
1 1 1    9   24   37 o  625.462  216.885   6.9501   5.1857   7.1703   5.6007   5.6272   13.727  635.533  225.027  708.819  313.544 -73.28595 385.9363 
1 1 1    9   25    0 o  591.343  222.371   4.1488   5.5912  -2.8045   8.1781   10.251   7.6616  541.366  240.616  811.003  263.516 -269.6362 356.8423 
1 1 1    9   25    2 o  767.596  203.567   9.6928   4.9727   7.4284   6.2094   13.742   8.3035  704.250  237.510  916.916  270.612 -212.6660 360.0584 
1 1 1    9   25    4 o  667.885  210.135   7.0224   4.9018   7.2757   6.0591   6.5428   8.3390  696.520  234.621  727.173  271.937 -30.65308 359.1614 
1 1 1    9   25    6 o  711.660  210.379   8.1894   5.0148   7.0132   6.0842   10.682   8.8562  688.619  235.091  839.109  283.647 -150.4896 368.4060 
1 1 1    9   25    8 o  1327.77  171.793   28.377   6.9750   28.377   6.9750   0.0000   0.0000  1327.77  171.793  ?   ?  0.000000 171.7934 
1 1 1    9   25   10 o  986.962  198.107   16.042   5.9095   16.042   5.9095   0.0000   0.0000  986.962  198.107  ?   ?  0.000000 198.1067 
1 1 1    9   25   12 o  717.057  228.767   8.1172   5.7935   8.1172   5.7935   0.0000   0.0000  717.057  228.767  ?   ?  0.000000 228.7672 
1 1 1    9   25   14 o  391.735  179.999  -3.6245   5.0507  -6.2972   7.1211  -0.9192   7.1645  447.588  208.462  530.846  230.889 -83.25873 311.0724 
1 1 1    9   25   16 o  787.508  195.907   10.331   4.8110   17.230   5.8873  -3.5370   8.3471  1021.64  191.059  532.178  239.322 489.4580 306.2332 
1 1 1    9   25   18 o  314.161  150.686  -6.0130   4.2717  -5.9858   5.1866  -6.0703   7.5317  362.150  171.529  465.042  215.851 -102.8925 275.7063 
1 1 1    9   25   20 o  547.657  203.178   3.8847   4.6369   8.7869   5.5819  -7.0294   8.3289  730.177  223.348  482.624  225.003 247.5534 317.0342 
1 1 1    9   25   22 o  591.705  208.211   5.1566   4.7878   2.0403   5.9360   10.958   8.0992  538.897  220.733  817.303  271.200 -278.4053 349.6750 
1 1 1    9   25   24 o  717.644  212.006   8.6641   5.0942   5.7949   6.0622   15.559   9.3974  638.021  233.055  943.102  290.017 -305.0807 372.0547 
1 1 1    9   25   26 o  541.526  211.747   3.2738   5.2063   2.9649   6.1867   4.0236   9.6374  564.321  227.473  679.722  280.163 -115.4016 360.8814 
1 1 1    9   25   28 o  980.812  192.068   16.401   5.6876   19.919   6.6120   6.3911   11.153  1078.67  203.217  747.419  303.941 331.2512 365.6190 
1 1 1    9   25   30 o  695.807  252.814   7.6278   7.1201   3.8637   9.0857   13.618   11.462  652.333  270.720  880.605  320.644 -228.2722 419.6454 
1 1 1    9   25   32 o  656.711  229.271   7.1056   5.7996   6.4125   6.6460   9.3187   11.876  649.953  242.826  789.795  316.285 -139.8423 398.7484 
1 1 1    9   25   34 o  907.643  272.152   15.785   8.3476   6.3572   10.465   32.280   13.842  705.183  291.422  1236.93  344.583 -531.7444 451.2921 
1 1 1    9   26    1 o  712.105  242.488   7.5204   6.4730   14.358   9.3667   1.2702   8.9554  941.950  289.523  636.148  266.762 305.8015 393.6821 
1 1 1    9   26    3 o  808.724  242.781   10.579   6.6402   10.579   6.6402   0.0000   0.0000  808.724  242.781  ?   ?  0.000000 242.7814 
1 1 1    9   26    5 o  755.031  240.395   8.9801   6.3999   8.9801   6.3999   0.0000   0.0000  755.031  240.395  ?   ?  0.000000 240.3950 
1 1 1    9   26    7 o  649.908  237.413   5.5554   6.2912   5.5554   6.2912   0.0000   0.0000  649.908  237.413  ?   ?  0.000000 237.4127 
1 1 1    9   26    9 o  1242.57  144.209   24.721   5.5065   28.118   6.8772   18.653   9.1918  1320.93  170.232  1054.08  275.439 266.8474 323.7987 
1 1 1    9   26   11 o  1285.19  139.174   26.411   5.5112   21.682   6.9484   34.433   9.0495  1149.41  200.343  1454.32  204.363 -304.9117 286.1846 
1 1 1    9   26   13 o  444.639  189.340   0.0972   4.6272   1.6509   5.8877  -2.4126   7.4833  533.924  219.396  517.621  230.110 16.30267 317.9385 
1 1 1    9   26   15 o  907.337  220.937   13.810   6.2184   13.996   8.6832   13.614   8.9096  916.942  278.162  907.991  282.916 8.950867 396.7563 
1 1 1    9   26   17 o  1143.63  165.187   21.292   5.7439   28.026   7.1126   8.6654   9.7390  1311.62  177.762  794.164  294.491 517.4543 343.9826 
1 1 1    9   26   19 o  843.701  202.234   11.967   5.2732   8.5625   6.4281   18.971   9.2206  733.252  241.525  1048.65  276.767 -315.3928 367.3346 
1 1 1    9   26   21 o  521.093  220.156   0.8022   6.1739   5.7347   8.5187  -4.6550   8.9603  698.153  271.447  533.937  243.219 164.2157 364.4707 
1 1 1    9   26   23 o  649.431  219.381   6.5982   5.2977   4.1866   6.3172   12.314   9.7252  602.812  233.928  866.764  297.214 -263.9521 378.2305 
1 1 1    9   26   25 o  741.125  222.531   9.2724   5.5783   7.9615   6.4957   12.955   10.887  708.308  242.902  887.299  313.784 -178.9907 396.8148 
1 1 1    9   26   27 o  660.930  228.290   6.8802   5.7427   6.7439   6.5594   7.3278   11.884  671.142  242.839  783.936  315.525 -112.7941 398.1546 
1 1 1    9   26   29 o  757.625  233.434   9.8971   6.0848   6.1358   6.9427   22.357   12.636  658.356  247.749  1084.92  336.747 -426.5657 418.0647 
1 1 1    9   26   31 o  779.329  233.923   10.708   6.1648   6.3433   6.9421   26.988   13.408  658.571  247.756  1167.85  343.651 -509.2791 423.6498 
1 1 1    9   27    0 o  630.900  238.709   4.6669   6.4661   4.6669   6.4661   0.0000   0.0000  630.900  238.709  ?   ?  0.000000 238.7091 
1 1 1    9   27    2 o  434.483  199.611  -4.4681   6.2080  -4.4681   6.2080   0.0000   0.0000  434.483  199.611  ?   ?  0.000000 199.6115 
1 1 1    9   27    4 o  393.190  186.334  -7.2711   6.1371 -16.1413   8.1723   4.2005   9.2938  394.436  193.504  699.733  279.947 -305.2973 340.3148 
1 1 1    9   27    6 o  483.542  210.122  -0.8349   5.9228   6.1193   8.3594  -7.8451   8.3930  715.576  271.255  481.120  224.826 234.4561 352.3150 
1 1 1    9   27    8 o  850.752  200.157   12.004   5.2429   10.590   6.7887   14.094   8.2534  807.731  246.157  922.714  269.079 -114.9824 364.6876 
1 1 1    9   27   10 o  1331.85  146.391   28.412   6.0043   33.083   7.5015   20.083   10.016  1433.05  170.521  1089.35  288.921 343.6967 335.4886 
1 1 1    9   27   12 o  1078.75  200.911   19.205   6.5368   14.473   9.4286   23.584   9.0706  937.239  290.877  1184.91  252.214 -247.6733 384.9955 
1 1 1    9   27   14 o  803.430  206.143   10.767   5.2116   4.5218   6.6043   21.074   8.4849  626.864  240.267  1117.97  248.791 -491.1061 345.8689 
1 1 1    9   27   16 o  357.205  167.503  -4.7162   4.7283  -1.3450   5.9592 -10.4459   7.7688  472.678  207.950  425.805  203.965 46.87314 291.2817 
1 1 1    9   27   18 o  647.488  219.852   6.3920   5.3207   6.4034   6.5188   6.3693   9.2096  672.512  242.271  732.386  282.938 -59.87476 372.4903 
1 1 1    9   27   20 f  471.140  200.735   0.2387   5.2061   1.5511   6.2990  -2.5902   9.2478  542.926  225.372  573.285  255.273 -30.35913 340.5249 
1 1 1    9   27   22 o  365.971  176.921  -9.5135   6.1725  -3.0055   8.4794 -16.8491   9.0024  539.353  241.984  415.323  203.619 124.0300 316.2545 
1 1 1    9   27   24 o  532.982  216.933   2.1870   5.6879   2.7139   6.7914   0.9489   10.410  581.809  236.951  656.036  281.787 -74.22632 368.1707 
1 1 1    9   27   26 o  428.291  197.055  -4.0126   6.0803  -5.6300   6.9921   1.0036   12.314  443.988  206.712  701.457  303.890 -257.4686 367.5309 
1 1 1    9   27   28 o  1035.60  258.550   19.015   8.3582   20.479   10.647   16.663   13.492  1059.31  304.677  975.978  348.869 83.32953 463.1824 
1 1 1    9   27   30 o  735.183  270.831   8.3568   8.2115   10.341   10.110   4.5103   14.076  806.147  299.829  771.161  329.351 34.98633 445.3868 
1 1 1    9   28    1 o  403.481  185.815  -4.0835   5.4238  -5.0061   6.7644  -2.4224   9.0767  450.934  207.611  578.284  255.424 -127.3502 329.1555 
1 1 1    9   28    3 o  1502.10  145.191   35.979   6.7438   38.531   8.4582   31.527   11.173  1548.20  177.694  1375.15  269.122 173.0496 322.4934 
1 1 1    9   28    5 o  1103.09  172.986   19.760   5.7785   17.073   7.4562   23.800   9.1438  1011.33  239.204  1194.24  252.421 -182.9115 347.7574 
1 1 1    9   28    7 o  730.258  242.038   8.2219   6.4517   11.752   9.2384   4.8608   9.0139  868.182  289.721  703.902  277.586 164.2800 401.2383 
1 1 1    9   28    9 o  536.370  223.020   1.2326   6.1828   3.0416   9.1939  -0.2609   8.3539  672.190  274.947  585.974  252.083 86.21619 373.0170 
1 1 1    9   28   11 o  657.486  240.655   5.7536   6.4688 -11.6342   9.2467   22.420   9.0528  472.451  225.269  1154.57  257.017 -682.1178 341.7659 
1 1 1    9   28   13 o  510.745  208.073   1.7302   5.2389  -0.7984   6.6864   5.7508   8.4313  513.881  223.281  705.275  271.199 -191.3935 351.2877 
1 1 1    9   28   15 o  744.472  221.619   9.0900   5.5503   16.063   6.9887  -2.8192   9.1333  977.340  231.865  570.312  253.838 407.0276 343.7957 
1 1 1    9   28   17 o  379.764  178.418  -5.5094   5.4077  -6.3397   6.5851  -3.7897   9.4767  422.665  198.032  567.388  255.094 -144.7231 322.9385 
1 1 1    9   28   19 o  784.276  221.368   10.276   5.6738   0.3177   7.0364   28.787   9.5931  545.594  232.936  1307.93  243.187 -762.3409 336.7477 
1 1 1    9   28   21 f  621.440  226.805   5.2996   5.7397   4.3898   6.9323   7.2829   10.235  628.820  244.765  770.869  298.142 -142.0490 385.7443 
1 1 1    9   28   23 o  535.293  235.049  -1.2119   7.5817  -5.7516   9.7718   5.6542   12.018  547.736  251.197  774.893  315.351 -227.1569 403.1697 
1 1 1    9   28   25 o  676.663  265.914   5.1994   8.2448   2.5951   10.452   9.4890   13.414  683.400  287.466  860.342  338.837 -176.9414 444.3506 
1 1 1    9   28   27 o  586.240  250.226   0.9737   8.1162   13.087   10.533 -16.7256   12.733  886.479  309.012  532.284  256.522 354.1943 401.6118 
1 1 1    9   29    0 o  870.780  264.808   12.326   7.8624   12.326   7.8624   0.0000   0.0000  870.780  264.808  ?   ?  0.000000 264.8080 
1 1 1    9   29    2 o  849.625  229.945   11.948   6.2666  -0.4907   7.9781   31.983   10.126  570.323  245.845  1393.35  240.790 -823.0313 344.1217 
1 1 1    9   29    4 o  456.610  207.712  -3.8537   6.5069 -10.6166   10.800  -0.0001   8.1527  538.780  252.810  584.899  250.250 -46.11926 355.7219 
1 1 1    9   29    6 f  592.128  238.534   2.7078   6.7984   4.6898   10.121   1.0786   9.1766  730.130  292.133  637.351  268.792 92.77893 396.9772 
1 1 1    9   29    8 o  519.675  214.136   1.4219   5.6282   5.3870   6.9629  -6.0513   9.5592  661.575  248.276  545.235  249.460 116.3399 351.9537 
1 1 1    9   29   10 o  414.430  189.450  -3.5811   5.4974   0.5175   7.1357  -9.5660   8.6228  557.037  236.086  470.229  222.254 86.80817 324.2433 
1 1 1    9   29   12 o  764.978  255.161   9.0607   7.1662   6.4113   10.300   11.546   9.9764  765.257  298.222  871.032  300.893 -105.7749 423.6428 
1 1 1    9   29   14 o  410.211  193.804  -7.2749   6.5438  -6.7588   9.5693  -7.7283   8.9685  535.320  246.636  502.431  233.984 32.88910 339.9678 
1 1 1    9   29   16 o  606.703  227.665   4.5613   5.8546   1.3785   7.1446   11.067   10.215  572.536  239.040  860.057  303.961 -287.5207 386.6938 
1 1 1    9   29   18 o  358.685  176.071 -13.4233   6.7981 -10.5986   9.8638 -15.9790   9.3823  502.631  237.612  438.290  213.352 64.34097 319.3409 
1 1 1    9   29   20 o  707.319  267.411   6.3524   8.1104   15.196   11.521  -2.3369   11.420  964.043  323.524  646.619  286.009 317.4236 431.8203 
1 1 1    9   29   22 f  894.844  277.392   13.449   8.5774   12.072   11.184   15.416   13.366  887.260  317.577  981.761  347.630 -94.50098 470.8521 
1 1 1    9   30    1 o  536.907  239.053  -2.8611   8.1079  -2.8611   8.1079   0.0000   0.0000  536.907  239.053  ?   ?  0.000000 239.0532 
1 1 1    9   30    3 o  435.825  198.267  -3.5551   5.9296   14.058   7.9645 -25.4581   8.8817  922.276  262.960  361.586  181.334 560.6902 319.4213 
1 1 1    9   30    5 o  833.425  235.901   11.435   6.4339   8.1517   8.4585   15.942   9.9108  766.821  276.002  984.429  296.850 -217.6083 405.3354 
1 1 1    9   30    7 o  548.585  226.133   1.5794   6.2794   1.1399   7.9210   2.3230   10.302  597.737  250.780  692.961  287.984 -95.22394 381.8709 
1 1 1    9   30    9 o  423.367  195.437  -4.7021   6.0517   2.9072   7.6725 -17.2296   9.8446  624.711  252.792  447.681  218.059 177.0300 333.8464 
1 1 1    9   30   11 o  403.304  188.099  -5.3709   5.8301  -7.4574   7.6271  -2.4384   9.0423  454.777  213.092  575.683  254.573 -120.9056 331.9880 
1 1 1    9   30   13 o  707.739  265.769   6.2562   7.9812  -4.0244   11.747   15.070   10.877  641.165  286.442  966.129  313.982 -324.9641 425.0099 
1 1 1    9   30   15 o  543.972  238.140  -1.3809   7.7307   0.2583   11.103  -2.9231   10.770  679.373  291.393  624.206  276.842 55.16675 401.9341 
1 1 1    9   30   17 o  857.280  311.915   10.468   10.843   0.0000   0.0000   10.468   10.843  ?   ?   857.280  311.915 0.000000 311.9146 
1 1 1    9   30   19 o  671.987  268.310   4.2008   8.5187   2.8304   11.313   5.9953   12.946  721.677  301.007  811.719  328.402 -90.04211 445.4807 
1 1 1    9   31    0 o  513.599  223.005  -0.9095   6.6608   8.5259   8.9169 -12.8207   10.019  786.532  283.352  491.664  234.445 294.8673 367.7675 
1 1 1    9   31    2 o  519.189  236.978  -5.3564   8.5606  -5.3564   8.5606   0.0000   0.0000  519.189  236.978  ?   ?  0.000000 236.9777 
1 1 1    9   31    4 o  580.188  246.479   0.3619   7.8077  -3.1592   11.917   3.0104   10.335  660.966  292.269  707.331  290.668 -46.36560 412.2003 
1 1 1    9   31    6 o  796.658  269.614   9.6021   8.0017   20.049   12.901   3.0714   10.201  1102.65  339.935  704.281  289.017 398.3689 446.1910 
1 1 1    9   31    8 o  479.989  219.544  -4.8310   7.3965   14.725   11.302 -19.4809   9.7822  967.014  320.344  429.685  210.981 537.3290 383.5796 
1 1 1    9   31   10 o  562.155  243.266  -0.7322   7.8728  -6.7114   11.715   4.1924   10.632  610.266  278.032  734.726  297.480 -124.4603 407.1809 
1 1 1    9   31   12 o  412.757  193.147  -6.0404   6.2306  -4.4442   8.1339  -8.3069   9.6924  513.894  233.177  523.879  243.730 -9.984680 337.3065 
1 1 1    9   31   14 o  928.609  233.647   14.406   6.7881   17.444   8.5681   9.2857   11.124  1018.61  265.815  841.720  314.219 176.8934 411.5717 
1 1 1    9   32    1 o  693.214  271.203   4.7971   8.5439   14.682   13.275  -2.1939   11.164  993.793  346.869  651.859  285.751 341.9338 449.4128 
1 1 1    9   32    3 o  1005.16  345.497   15.336   13.145   15.336   13.145   0.0000   0.0000  1005.16  345.497  ?   ?  0.000000 345.4970 
1 1 1    9   32    5 o  729.216  275.390   6.3760   8.5956   4.5521   12.954   7.8107   11.489  801.714  326.967  825.269  316.763 -23.55542 455.2433 
1 1 1   10    0    0 o  5534.74  278.587  489.347   48.002  489.347   48.002  489.347   48.002  5534.74  278.587  5534.74  278.587 -0.000000 0.000000 
1 1 1   10    0    2 o  2437.30  164.381   94.716   12.414   94.716   12.414   94.716   12.414  2437.30  164.381  2437.30  164.381 -0.000000 0.000000 
1 1 1   10    0    4 o  2263.62  159.539   81.834   11.179   81.834   11.179   81.834   11.179  2263.62  159.539  2263.62  159.539 -0.000000 0.000000 
1 1 1   10    0    6 o  7622.93  373.130  947.221   88.577  947.221   88.577  947.221   88.577  7622.93  373.130  7622.93  373.130 -0.000000 0.000000 
1 1 1   10    0    8 o  379.953  162.723   3.2337   1.9786   3.2337   1.9786   3.2337   1.9786  379.953  162.723  379.953  162.723 -0.000000 0.000000 
1 1 1   10    0   12 o  3197.02  189.330  163.548   18.801  163.548   18.801  163.548   18.801  3197.02  189.330  3197.02  189.330 -0.000000 0.000000 
1 1 1   10    0   14 o  845.396  151.121   12.280   3.6197   12.280   3.6197   12.280   3.6197  845.396  151.121  845.396  151.121 -0.000000 0.000000 
1 1 1   10    0   20 o  256.584  139.904   1.4684   1.5951   1.4684   1.5951   1.4684   1.5951  256.584  139.904  256.584  139.904 -0.000000 0.000000 
1 1 1   10    0   24 o  1119.95  145.122   20.915   4.8535   20.915   4.8535   20.915   4.8535  1119.95  145.122  1119.95  145.122 -0.000000 0.000000 
1 1 1   10    0   28 o  1359.14  143.976   30.448   5.9701   30.448   5.9701   30.448   5.9701  1359.14  143.976  1359.14  143.976 -0.000000 0.000000 
1 1 1   10    0   30 o  1456.01  101.492   34.042   4.5755   34.042   4.5755   34.042   4.5755  1456.01  101.492  1456.01  101.492 -0.000000 0.000000 
1 1 1   10    0   32 f  318.065  175.429   2.2877   2.5405   2.2877   2.5405   2.2877   2.5405  318.065  175.429  318.065  175.429 -0.000000 0.000000 
1 1 1   10    0   34 o  1288.32  105.096   26.757   4.1747   26.757   4.1747   26.757   4.1747  1288.32  105.096  1288.32  105.096 -0.000000 0.000000 
1 1 1   10    0   36 o  426.198  172.280   4.0241   2.2465   4.0241   2.2465   4.0241   2.2465  426.198  172.280  426.198  172.280 -0.000000 0.000000 
1 1 1   10    0   38 o  568.686  160.831   6.2230   2.4803   6.2230   2.4803   6.2230   2.4803  568.686  160.831  568.686  160.831 -0.000000 0.000000 
1 1 1   10    0   40 o  2958.08  189.502  143.046   17.387  143.046   17.387  143.046   17.387  2958.08  189.502  2958.08  189.502 -0.000000 0.000000 
1 1 1   10    0   44 o  258.564  171.544  -0.8175   3.6780  -0.8175   3.6780  -0.8175   3.6780  258.564  171.544  258.564  171.544 -0.000000 0.000000 
1 1 1   10    0   50 o  396.196  252.194   2.0548   6.8763   2.0548   6.8763   2.0548   6.8763  396.196  252.194  396.196  252.194 -0.000000 0.000000 
1 1 1   10    0   52 o  711.393  335.853   14.106   8.4558   14.106   8.4558   14.106   8.4558  711.393  335.853  711.393  335.853 -0.000000 0.000000 
1 1 1   10    1    1 o  2919.84  124.349  134.206   11.369  138.609   16.088  129.813   16.068  2954.57  174.677  2857.60  180.499 96.96899 251.1811 
1 1 1   10    1    3 o  281.124  105.136   0.9267   1.2465   0.9267   1.2465   0.0000   0.0000  281.124  105.136  ?   ?  0.000000 105.1360 
1 1 1   10    1    5 o  3755.37  118.746  222.274   13.963  225.036   24.185  220.893   17.101  3748.00  206.881  3737.30  146.137 10.69995 253.2893 
1 1 1   10    1    7 o  2922.74  101.729  134.520   9.3100  129.068   16.119  137.249   11.405  2839.30  182.264  2948.20  123.542 -108.8960 220.1877 
1 1 1   10    1    9 o  706.560   95.179   8.0016   2.0522   8.8047   2.9154   7.2128   2.8892  735.028  131.498  661.856  143.543 73.17212 194.6703 
1 1 1   10    1   11 o  1986.06   85.497   62.077   5.3169   59.204   9.1986   63.518   6.5156  1922.56  154.094  2003.83  104.203 -81.26624 186.0196 
1 1 1   10    1   13 o  760.514   77.161   9.1898   1.8120   9.7738   3.0988   8.8863   2.2337  774.363  132.566  744.277   98.249 30.08630 165.0052 
1 1 1   10    1   15 o  945.081   94.465   14.235   2.7580   14.896   3.8897   13.566   3.9113  958.982  133.127  912.429  141.480 46.55280 194.2668 
1 1 1   10    1   17 o  1737.84  102.213   48.011   5.5375   0.0000   0.0000   48.011   5.5375  ?   ?   1737.84  102.213 0.000000 102.2126 
1 1 1   10    1   19 o  1237.50   78.210   24.298   3.0150   24.232   3.6919   24.430   5.2239  1231.57   96.510  1223.83  138.772 7.739624 169.0316 
1 1 1   10    1   21 f  539.396   72.346   4.6833   1.1911   4.0145   1.6642   5.3858   1.7055  490.893  110.885  573.204   98.579 -82.31082 148.3688 
1 1 1   10    1   23 o  858.950   79.107   11.823   2.1037   12.823   2.5761   9.8217   3.6450  890.824   93.761  756.520  158.927 134.3038 184.5231 
1 1 1   10    1   25 o  1817.88   84.980   52.780   4.8372   54.645   5.9262   49.059   8.3730  1838.40  103.368  1705.58  158.598 132.8224 189.3104 
1 1 1   10    1   27 f  1256.49   79.042   25.322   3.0940   26.133   3.8134   23.762   5.2928  1269.09   96.690  1183.93  145.855 85.15881 174.9933 
1 1 1   10    1   29 o  972.995   80.543   15.315   2.4318   17.719   3.0448   11.079   4.0412  1041.00   94.437  784.116  169.532 256.8883 194.0603 
1 1 1   10    1   31 o  908.392  107.017   13.765   2.9856   13.765   2.9856   0.0000   0.0000  908.392  107.017  ?   ?  0.000000 107.0169 
1 1 1   10    1   33 o  2223.32  116.674   82.431   8.0942   77.877   11.429   87.014   11.465  2080.43  177.125  2216.20  166.435 -135.7705 243.0507 
1 1 1   10    1   35 o  536.123  136.322   5.0585   2.2936   6.9208   3.1239   2.8804   3.3784  618.197  160.107  446.876  171.710 171.3208 234.7730 
1 1 1   10    1   37 o  2749.91  103.598  124.799   8.9204  122.752   10.940  128.859   15.409  2687.95  129.981  2640.91  187.561 47.03760 228.1975 
1 1 1   10    1   39 o  1320.12  108.685   29.321   4.4527   29.819   6.2956   28.823   6.2985  1281.58  160.395  1255.97  164.078 25.61511 229.4518 
1 1 1   10    1   41 o  1162.77  120.985   23.395   4.3405   23.395   4.3405   0.0000   0.0000  1162.77  120.985  ?   ?  0.000000 120.9853 
1 1 1   10    1   43 o  810.657  122.429   11.644   3.0109   8.7194   5.2794   13.053   3.6654  621.191  218.634  841.035  144.384 -219.8435 262.0070 
1 1 1   10    1   45 o  637.244  140.731   7.8624   2.7331   15.075   4.8843   4.5746   3.2977  824.418  192.671  469.607  171.837 354.8119 258.1666 
1 1 1   10    1   47 o  439.277  174.618   4.8261   3.5934   3.7163   4.6256   6.5152   5.7067  408.182  181.212  459.957  202.877 -51.77469 272.0232 
1 1 1   10    1   49 o  350.396  167.295   2.6206   5.1355   2.6206   5.1355   0.0000   0.0000  350.396  167.295  ?   ?  0.000000 167.2953 
1 1 1   10    1   51 o  480.580  229.652   32.513   9.7213   0.0000   0.0000   32.513   9.7213  ?   ?   480.580  229.652 0.000000 229.6519 
1 1 1   10    1   53 o  345.887  166.297   9.5938   5.2727   11.930   6.5231   5.1896   8.9556  338.659  167.422  ?   ?  0.000000 167.4217 
1 1 1   10    1   55 o  269.099  134.298   5.0374   4.6074   8.7171   6.5689   1.4742   6.4640  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    2    0 o  3308.69  132.515  172.459   13.729  183.936   19.439  161.038   19.392  3402.73  183.122  3179.93  195.705 222.7979 268.0186 
1 1 1   10    2    2 o  3912.11  149.849  241.735   18.356  236.779   25.974  246.680   25.946  3847.75  216.460  3929.40  211.652 -81.65527 302.7398 
1 1 1   10    2    4 o  3868.63  121.302  235.880   14.694  222.973   25.449  242.335   17.997  3727.47  219.004  3915.17  146.804 -187.7090 263.6551 
1 1 1   10    2    6 o  4252.11  129.555  285.606   17.249  285.398   29.880  285.710   21.125  4206.12  227.723  4243.37  158.990 -37.25732 277.7330 
1 1 1   10    2    8 o  1488.43   80.026   34.923   3.7160   39.900   6.4308   32.428   4.5531  1582.74  130.935  1430.94  102.292 151.7986 166.1556 
1 1 1   10    2   10 o  1385.57   96.397   30.392   4.1562   30.392   4.1562   0.0000   0.0000  1385.57   96.397  ?   ?  0.000000 96.39704 
1 1 1   10    2   12 o  2276.29  111.188   81.869   7.9251   83.398   11.198   80.335   11.217  2281.84  157.699  2238.25  161.127 43.59448 225.4568 
1 1 1   10    2   14 o  1184.36   66.669   22.113   2.4624   22.222   3.4841   22.003   3.4805  1183.18   94.840  1177.23   95.236 5.952148 134.4043 
1 1 1   10    2   16 o  1934.84  151.635   60.332   9.1132   60.332   9.1132   0.0000   0.0000  1934.84  151.635  ?   ?  0.000000 151.6352 
1 1 1   10    2   18 o  416.098   78.442   2.8215   0.9845   2.9431   1.3683   2.6910   1.4177  422.203  104.149  404.526  109.323 17.67731 150.9918 
1 1 1   10    2   20 o  692.628   79.062   7.6916   1.6840   8.7158   2.0629   5.6459   2.9154  735.094   91.610  577.873  157.026 157.2212 181.7950 
1 1 1   10    2   22 o  674.600  100.562   7.4366   2.0593   7.9929   2.9462   6.9052   2.8796  687.606  141.553  636.691  147.354 50.91449 204.3296 
1 1 1   10    2   24 o  2013.33   87.436   64.723   5.5121   68.822   9.5999   62.706   6.7326  2031.88  151.988  1968.01  109.690 63.87097 187.4357 
1 1 1   10    2   26 o  1602.70   82.739   41.149   4.1380   38.900   7.1576   42.278   5.0715  1517.70  152.686  1615.85  100.736 -98.15479 182.9231 
1 1 1   10    2   28 o  424.634  116.981   3.0616   1.6051   1.0977   2.3586   4.7555   2.1905  346.736  140.212  524.340  133.168 -177.6037 193.3728 
1 1 1   10    2   30 o  133.416   64.396  -1.2492   0.8101  -2.9432   1.4417  -0.4676   0.9793  162.759   80.129  180.753   81.564 -17.99387 114.3390 
1 1 1   10    2   32 o  1138.18  106.497   21.501   3.7514   21.501   3.7514   0.0000   0.0000  1138.18  106.497  ?   ?  0.000000 106.4975 
1 1 1   10    2   36 o  632.413  170.304   7.3658   3.4476   7.3658   3.4476   0.0000   0.0000  632.413  170.304  ?   ?  0.000000 170.3041 
1 1 1   10    2   38 o  1943.80  114.971   63.555   6.9666   65.068   9.7338   61.966   9.9752  1898.91  165.355  1837.93  175.461 60.97791 241.0994 
1 1 1   10    2   40 o  1828.14   94.729   55.357   5.4040   55.525   6.4929   54.977   9.7487  1807.37  115.331  1695.75  186.690 111.6223 219.4415 
1 1 1   10    2   42 o  1324.39  126.699   30.731   5.1901   29.456   6.9990   32.289   7.7360  1222.98  188.849  1262.50  202.538 -39.51624 276.9219 
1 1 1   10    2   44 o  3455.28  128.722  214.384   13.927  204.341   24.104  219.417   17.063  2778.09  280.951  3373.61  161.529 -595.5190 324.0754 
1 1 1   10    2   46 o  375.342  142.482   2.6502   2.3085   3.6381   3.4221   1.8252   3.1272  419.971  169.217  361.109  154.758 58.86142 229.3128 
1 1 1   10    2   48 o  655.542  241.132   18.395   6.5058   18.395   6.5058   0.0000   0.0000  655.542  241.132  ?   ?  0.000000 241.1318 
1 1 1   10    2   50 o  708.351  154.880   12.872   3.3395   17.958   4.7572   7.9309   4.6891  722.755  202.243  419.677  184.552 303.0782 273.7915 
1 1 1   10    2   52 o  251.783  125.668  -1.8062   4.0378   0.0000   0.0000  -1.8062   4.0378  ?   ?   251.783  125.668 0.000000 125.6676 
1 1 1   10    2   54 o  275.192  134.293   3.1388   3.7838  -2.3598   6.3753   6.1292   4.7014  ?   ?   297.921  146.279 0.000000 146.2793 
1 1 1   10    2   56 o  ?   ?    30.096   9.2070   30.096   9.2070   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    3    1 o  2322.35   91.129   84.720   6.6268   85.019   8.1215   84.123   11.463  2324.53  111.579  2300.80  160.105 23.72217 195.1503 
1 1 1   10    3    3 o  3265.79  108.204  167.866   11.065  161.792   13.553  180.006   19.161  3201.43  135.203  3360.68  182.768 -159.2483 227.3410 
1 1 1   10    3    5 o  2231.90   77.057   78.230   5.3852   80.770   7.6209   75.697   7.6108  2264.56  107.474  2189.02  111.404 75.54077 154.7954 
1 1 1   10    3    7 o  1629.62   81.094   41.742   4.1380   40.502   5.0680   44.222   7.1674  1600.27  101.668  1665.49  138.698 -65.22229 171.9695 
1 1 1   10    3    9 o  2213.64   89.548   77.127   6.2070   76.613   7.6072   78.151   10.736  2200.45  110.762  2211.16  156.062 -10.70801 191.3725 
1 1 1   10    3   11 o  1058.45   65.946   17.662   2.1748   19.023   3.0836   16.315   3.0677  1095.39   90.718  1012.72   97.963 82.66986 133.5159 
1 1 1   10    3   13 o  2261.78  110.985   80.878   7.8602   84.352   11.111   77.398   11.121  2294.17  155.597  2194.66  162.987 99.51294 225.3333 
1 1 1   10    3   15 o  1954.01  151.580   61.417   9.2018   0.0000   0.0000   61.417   9.2018  ?   ?   1954.01  151.580 0.000000 151.5801 
1 1 1   10    3   17 o  2253.65   90.601   80.317   6.3935   77.412   7.8298   86.131   11.075  2203.36  113.878  2307.40  154.179 -104.0442 191.6745 
1 1 1   10    3   19 o  1754.73   72.345   48.621   3.9750   46.447   5.6138   50.807   5.6293  1703.73  105.753  1783.78  101.201 -80.04260 146.3741 
1 1 1   10    3   21 o  823.765   96.330   10.969   2.4378   11.120   3.4265   10.813   3.4692  816.371  139.024  803.365  143.159 13.00592 199.5549 
1 1 1   10    3   23 o  1203.55   96.738   23.333   3.6149   24.021   5.0964   22.636   5.1281  1204.52  137.594  1166.19  143.458 38.33191 198.7767 
1 1 1   10    3   25 o  1081.19   96.318   18.910   3.2267   19.302   4.5394   18.508   4.5875  1074.88  138.062  1049.75  143.306 25.12854 198.9921 
1 1 1   10    3   27 o  1855.93  106.361   56.126   6.1553   58.191   8.7998   54.147   8.6130  1851.88  153.128  1783.67  155.776 68.20862 218.4363 
1 1 1   10    3   29 o  1431.16  147.115   35.194   6.4988   0.0000   0.0000   35.194   6.4988  ?   ?   1431.16  147.115 0.000000 147.1152 
1 1 1   10    3   31 o  538.607  173.741   5.2038   3.3346   0.0000   0.0000   5.2038   3.3346  ?   ?   538.607  173.741 0.000000 173.7413 
1 1 1   10    3   33 o  1686.44   74.653   45.615   3.9421   45.036   5.5895   46.188   5.5607  1650.77  108.744  1673.49  106.674 -22.71582 152.3306 
1 1 1   10    3   35 o  629.137  106.191   6.6568   2.0175   5.6069   3.8331   7.0590   2.3727  557.867  186.618  641.514  122.589 -83.64636 223.2807 
1 1 1   10    3   37 o  3177.58   97.261  165.506   9.6773  166.411   13.675  164.598   13.697  3111.61  140.353  3092.46  141.447 19.14819 199.2639 
1 1 1   10    3   39 o  1564.05   76.856   39.598   3.7640   34.959   5.2853   44.371   5.3616  1433.59  118.813  1629.29  105.664 -195.7030 159.0011 
1 1 1   10    3   41 o  1212.37   98.876   24.602   3.7209   23.456   4.3695   27.625   7.0974  1164.84  121.589  1179.89  199.199 -15.03955 233.3754 
1 1 1   10    3   43 o  1020.54  234.881   23.619   7.3501   0.0000   0.0000   23.619   7.3501  ?   ?   1020.54  234.881 0.000000 234.8808 
1 1 1   10    3   45 o  942.804  121.001   16.230   3.4897   16.534   4.0977   15.427   6.6578  922.693  146.742  732.616  245.944 190.0770 286.3942 
1 1 1   10    3   47 o  563.731  238.091   13.781   7.2169   0.0000   0.0000   13.781   7.2169  ?   ?   563.731  238.091 0.000000 238.0906 
1 1 1   10    3   49 o  347.532  169.642   1.9617   6.0498   1.9617   6.0498   0.0000   0.0000  347.532  169.642  ?   ?  0.000000 169.6420 
1 1 1   10    3   51 o  302.397  148.663   1.3424   4.9040   6.1580   5.9320  -9.0533   8.7157  347.232  169.161  ?   ?  0.000000 169.1615 
1 1 1   10    3   53 f  320.114  149.610   4.9356   3.7187   17.613   6.6881  -0.7376   4.4740  386.931  186.337  255.451  128.188 131.4801 226.1715 
1 1 1   10    3   55 o  812.855  214.418   35.607   5.5362   44.594   9.7408   31.320   6.7285  359.922  181.677  447.571  206.423 -87.64841 274.9855 
1 1 1   10    4    0 o  996.520   76.550   15.677   2.3704   15.565   2.9109   15.898   4.0836  990.695   95.002  995.049  134.513 -4.353394 164.6788 
1 1 1   10    4    2 o  5219.40  151.508  431.052   24.761  430.211   30.334  432.731   42.867  5200.30  186.285  5167.11  265.850 33.18945 324.6201 
1 1 1   10    4    4 o  4920.31  178.281  385.305   27.467  385.305   27.467   0.0000   0.0000  4920.31  178.281  ?   ?  0.000000 178.2815 
1 1 1   10    4    6 f  3612.33   99.371  205.484   11.240  199.926   15.896  211.042   15.896  3552.20  142.911  3650.77  139.053 -98.56787 199.3971 
1 1 1   10    4    8 o  2791.44   99.179  122.767   8.6689  125.887   10.623  116.549   14.997  2822.53  120.201  2695.33  178.714 127.2061 215.3762 
1 1 1   10    4   10 o  438.673   74.311   3.1072   0.9843   3.0588   1.3925   3.1556   1.3915  431.851  104.181  438.650  103.057 -6.799347 146.5409 
1 1 1   10    4   12 o  1619.40   69.947   41.210   3.5468   44.195   5.0160   38.225   5.0159  1671.56   96.241  1552.83  103.756 118.7319 141.5195 
1 1 1   10    4   14 o  271.777   95.337   1.0282   1.0034   2.0687   1.4233   0.0000   1.4148  362.729  113.085  245.956  104.715 116.7722 154.1215 
1 1 1   10    4   16 o  1770.06   82.678   49.427   4.5824   49.040   5.6164   50.199   7.9254  1756.66  102.552  1764.62  144.708 -7.962280 177.3628 
1 1 1   10    4   18 o  618.579   98.392   6.2204   1.8419   6.8320   2.5819   5.5867   2.6285  641.003  132.996  577.323  145.465 63.67999 197.0991 
1 1 1   10    4   20 o  839.173   95.098   11.352   2.4547   10.431   3.4607   12.285   3.4824  789.243  145.391  862.195  133.290 -72.95215 197.2433 
1 1 1   10    4   22 o  658.998  103.698   7.1211   2.0691   7.1211   2.0691   0.0000   0.0000  658.998  103.698  ?   ?  0.000000 103.6983 
1 1 1   10    4   24 o  1659.89   85.555   44.058   4.4316   42.709   5.4413   46.716   7.6375  1624.39  107.588  1676.05  147.013 -51.66077 182.1756 
1 1 1   10    4   26 o  1558.65   82.395   38.921   4.0070   42.832   7.1189   37.107   4.8479  1599.38  143.682  1512.16  103.000 87.22168 176.7864 
1 1 1   10    4   28 o  959.142   98.486   15.066   2.9159   0.0000   0.0000   15.066   2.9159  ?   ?   959.142   98.486 0.000000 98.48622 
1 1 1   10    4   30 o  947.646   69.262   14.422   2.0410   18.305   2.9924   11.045   2.7909  1058.98   91.132  811.450  112.899 247.5344 145.0900 
1 1 1   10    4   32 o  1269.03   80.526   26.013   3.1832   26.844   5.3923   25.569   3.9437  1251.77  139.968  1246.72  101.915 5.055054 173.1405 
1 1 1   10    4   34 o  2789.00  102.595  127.191   8.9597  127.223   15.606  127.176   10.943  2653.70  189.051  2758.20  126.701 -104.5046 227.5816 
1 1 1   10    4   36 o  1343.63  107.283   29.906   4.4760   0.0000   0.0000   29.906   4.4760  ?   ?   1343.63  107.283 0.000000 107.2830 
1 1 1   10    4   38 o  3722.45  104.172  229.366   12.142  245.954   17.152  212.702   17.191  3758.50  145.741  3463.40  158.523 295.0957 215.3370 
1 1 1   10    4   40 o  1246.71   91.564   25.675   3.5494   27.101   5.8061   24.824   4.4851  1224.90  154.839  1203.20  120.673 21.69983 196.3086 
1 1 1   10    4   42 o  2142.95   99.874   76.828   6.7017   81.368   11.652   74.583   8.1924  2052.22  183.249  2068.09  127.125 -15.87402 223.0271 
1 1 1   10    4   44 o  810.640  121.771   11.801   2.9954   10.389   5.7363   12.330   3.5123  646.383  227.856  809.426  143.849 -163.0435 269.4638 
1 1 1   10    4   46 o  1016.81  112.216   19.036   3.5133   22.789   6.7257   17.628   4.1201  897.661  236.116  933.881  145.649 -36.21985 277.4247 
1 1 1   10    4   48 o  345.923  161.684   1.5576   4.3444   4.4784   5.7476  -2.3351   6.6353  396.497  185.529  334.816  166.109 61.68185 249.0242 
1 1 1   10    4   50 o  382.970  183.912   7.7051   6.4059   7.7051   6.4059   0.0000   0.0000  382.970  183.912  ?   ?  0.000000 183.9122 
1 1 1   10    4   52 f  ?   ?    0.9363   9.1494   0.0000   0.0000   0.9363   9.1494  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    4   54 o  ?   ?    28.189   11.839   0.0000   0.0000   28.189   11.839  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    5    1 o  1388.02   79.310   30.354   3.4327   27.651   4.2060   35.746   5.9402  1321.64  102.435  1499.71  127.712 -178.0736 163.7169 
1 1 1   10    5    3 o  4070.85  125.664  261.641   16.018  258.670   19.626  267.570   27.722  4038.81  155.191  4077.27  217.926 -38.46240 267.5369 
1 1 1   10    5    5 f  2870.97  124.777  130.217   11.217  117.246   15.873  143.158   15.854  2702.45  188.764  2994.25  169.794 -291.7986 253.8930 
1 1 1   10    5    7 o  957.310   76.182   14.490   2.2647   13.830   2.7703   15.820   3.9323  932.308   96.283  991.864  129.721 -59.55548 161.5484 
1 1 1   10    5    9 o  2055.72   86.945   66.493   5.5966   67.223   6.8558   65.037   9.6895  2061.69  106.563  2016.63  154.624 45.06055 187.7878 
1 1 1   10    5   11 o  605.770   79.455   5.8691   1.4708   4.6825   1.7970   8.2771   2.5599  534.789  110.948  714.231  118.623 -179.4427 162.4218 
1 1 1   10    5   13 o  1582.79   81.714   39.546   4.0360   37.275   4.9488   44.056   6.9745  1532.66  103.730  1659.46  135.403 -126.8022 170.5691 
1 1 1   10    5   15 o  2017.85  106.999   64.681   6.7365   64.272   9.5289   65.091   9.5247  1996.29  153.621  2009.45  152.514 -13.15967 216.4711 
1 1 1   10    5   17 o  1241.10  138.078   25.024   5.2750   0.0000   0.0000   25.024   5.2750  ?   ?   1241.10  138.078 0.000000 138.0777 
1 1 1   10    5   19 o  1089.24   67.695   18.796   2.2974   19.669   3.2591   17.934   3.2391  1108.19   94.836  1056.75   99.044 51.44189 137.1266 
1 1 1   10    5   21 o  1890.23  105.553   57.433   6.2225   58.198   8.7901   56.664   8.8097  1877.87  150.761  1851.18  153.365 26.68567 215.0576 
1 1 1   10    5   23 o  192.804   77.224   0.2897   0.7081   1.3555   1.0074  -0.7509   0.9954  295.059   95.529  172.779   79.583 122.2801 124.3351 
1 1 1   10    5   25 o  1323.92  100.912   28.368   4.1518   31.677   5.8064   24.906   5.9389  1381.69  135.970  1210.31  160.682 171.3838 210.4911 
1 1 1   10    5   27 o  1144.21   69.979   20.913   2.4952   22.874   3.5795   19.060   3.4801  1186.16   97.228  1079.08  104.296 107.0753 142.5862 
1 1 1   10    5   29 o  477.626  128.591   3.9409   1.9659   6.9738   3.1991   2.1009   2.4918  623.600  162.276  391.822  148.202 231.7776 219.7663 
1 1 1   10    5   31 o  1285.62   72.513   26.521   2.9071   28.357   4.1657   24.779   4.0590  1314.18  102.031  1225.26  106.868 88.92102 147.7534 
1 1 1   10    5   33 o  2039.81   77.784   66.721   4.9681   67.844   7.0245   65.596   7.0276  2029.66  110.948  1993.83  113.029 35.83496 158.3827 
1 1 1   10    5   35 o  1978.54  115.733   64.934   7.1388   0.0000   0.0000   64.934   7.1388  ?   ?   1978.54  115.733 0.000000 115.7329 
1 1 1   10    5   37 o  410.323  128.684   2.8630   1.8399   8.8088   3.9020   1.1630   2.0864  685.903  179.571  332.208  132.737 353.6950 223.3042 
1 1 1   10    5   39 o  1030.61   92.684   17.537   2.9590   29.521   5.6312   12.965   3.4779  1298.88  140.706  861.651  133.199 437.2241 193.7534 
1 1 1   10    5   41 o  406.994  130.973   2.8737   1.8958   8.0251   4.6365   1.8395   2.0774  626.781  205.061  357.430  135.289 269.3509 245.6682 
1 1 1   10    5   43 o  1517.74   96.683   38.783   4.5709   50.026   8.2176   33.746   5.5002  1624.02  163.837  1378.74  128.899 245.2732 208.4649 
1 1 1   10    5   45 o  1899.30   99.378   62.802   5.8896   74.320   10.450   57.440   7.1300  1863.70  181.362  1753.31  130.812 110.3929 223.6155 
1 1 1   10    5   47 o  535.201  167.348   7.0013   3.1143   0.0000   0.0000   7.0013   3.1143  ?   ?   535.201  167.348 0.000000 167.3480 
1 1 1   10    5   51 o  213.472  104.291  -1.8635   2.3004   0.0000   0.0000  -1.8635   2.3004  ?   ?   213.472  104.291 0.000000 104.2909 
1 1 1   10    5   53 o  481.075  190.092   12.938   4.2350   0.0000   0.0000   12.938   4.2350  ?   ?   481.075  190.092 0.000000 190.0916 
1 1 1   10    5   55 o  600.284  199.214   20.583   4.3701   20.188   8.3491   20.732   5.1289  ?   ?   464.413  198.588 0.000000 198.5883 
1 1 1   10    6    0 o  3261.02  105.755  167.468   10.799  158.188   13.212  186.143   18.742  3163.94  133.361  3416.24  175.806 -252.2949 220.6649 
1 1 1   10    6    2 o  3942.12  123.426  245.339   15.235  248.108   18.652  239.787   26.408  3956.30  150.566  3857.03  219.570 99.27368 266.2350 
1 1 1   10    6    4 o  3563.00  140.080  201.022   15.628  201.022   15.628   0.0000   0.0000  3563.00  140.080  ?   ?  0.000000 140.0802 
1 1 1   10    6    6 o  1797.31  102.554   51.059   5.7476   51.059   5.7476   0.0000   0.0000  1797.31  102.554  ?   ?  0.000000 102.5537 
1 1 1   10    6    8 o  2771.71  175.458  123.111   15.149  123.111   15.149   0.0000   0.0000  2771.71  175.458  ?   ?  0.000000 175.4577 
1 1 1   10    6   10 o  891.217   94.633   12.652   2.6004   11.877   3.6508   13.450   3.7050  854.137  141.454  911.838  133.737 -57.70154 194.6653 
1 1 1   10    6   12 f  1432.43   68.426   32.246   3.0691   31.732   4.3362   32.762   4.3445  1414.76   98.499  1437.90   97.060 -23.14478 138.2846 
1 1 1   10    6   14 o  1469.87   99.382   34.309   4.5472   0.0000   0.0000   34.309   4.5472  ?   ?   1469.87   99.382 0.000000 99.38166 
1 1 1   10    6   16 o  2835.90   87.619  127.160   7.7804  124.186   11.003  130.135   11.004  2787.96  126.035  2855.28  123.077 -67.32104 176.1615 
1 1 1   10    6   18 o  1182.57   79.226   22.218   2.9167   24.057   5.1350   21.341   3.5439  1213.77  137.538  1154.19   99.017 59.58179 169.4728 
1 1 1   10    6   20 o  2169.47   89.970   74.875   6.1118   74.140   10.552   75.246   7.4974  2117.49  160.340  2163.26  111.058 -45.76855 195.0457 
1 1 1   10    6   22 o  1946.62  104.548   60.933   6.3492   60.933   6.3492   0.0000   0.0000  1946.62  104.548  ?   ?  0.000000 104.5483 
1 1 1   10    6   24 o  551.700   75.881   4.9218   1.2762   4.5124   1.8303   5.3092   1.7802  518.427  115.686  566.218  104.252 -47.79065 155.7295 
1 1 1   10    6   26 o  1563.52   73.719   38.917   3.6091   38.985   5.1282   38.850   5.0802  1547.79  106.461  1545.58  105.604 2.214966 149.9534 
1 1 1   10    6   28 f  647.285   83.470   6.8316   1.6524   8.8468   2.7469   5.6888   2.0685  721.833  126.120  578.584  118.168 143.2491 172.8293 
1 1 1   10    6   30 o  898.035  104.193   13.319   2.8754   15.225   3.9052   11.063   4.2495  944.713  135.930  780.487  177.848 164.2260 223.8455 
1 1 1   10    6   32 o  1529.44   86.703   37.778   4.1352   40.568   7.4030   36.513   4.9855  1534.37  156.266  1491.41  107.477 42.95776 189.6581 
1 1 1   10    6   34 o  1590.47   78.132   40.549   3.8911   51.871   7.0610   35.611   4.6630  1760.04  129.023  1475.65  101.535 284.3870 164.1833 
1 1 1   10    6   36 o  1307.43   83.616   27.685   3.4052   37.181   6.3813   23.904   4.0264  1474.05  139.933  1201.03  108.228 273.0210 176.9023 
1 1 1   10    6   38 o  2340.06   94.231   89.574   6.9046   94.025   11.974   87.356   8.4510  2288.94  168.250  2279.89  118.791 9.041260 205.9593 
1 1 1   10    6   40 o  1180.09  113.546   23.566   4.1439   0.0000   0.0000   23.566   4.1439  ?   ?   1180.09  113.546 0.000000 113.5457 
1 1 1   10    6   42 o  2006.59  121.897   69.529   7.6227   0.0000   0.0000   69.529   7.6227  ?   ?   2006.59  121.897 0.000000 121.8969 
1 1 1   10    6   44 o  995.615  116.940   17.631   3.5762   0.0000   0.0000   17.631   3.5762  ?   ?   995.615  116.940 0.000000 116.9398 
1 1 1   10    6   46 o  429.517  200.235   3.3704   6.5949   0.0000   0.0000   3.3704   6.5949  ?   ?   429.517  200.235 0.000000 200.2346 
1 1 1   10    6   48 o  978.049  121.595   19.371   3.6435   18.912   7.0710   19.537   4.2513  621.508  245.614  929.210  151.321 -307.7026 288.4860 
1 1 1   10    6   50 o  1185.94  131.695   31.860   4.8078   44.616   8.3389   25.508   5.8844  988.728  264.274  830.644  221.990 158.0839 345.1382 
1 1 1   10    6   52 o  269.005  122.831   1.2581   2.3026  -6.9853   7.0432   2.2446   2.4365  ?   ?   296.152  131.495 0.000000 131.4955 
1 1 1   10    6   54 o  493.253  189.417   14.151   4.1096   0.0000   0.0000   14.151   4.1096  ?   ?   493.253  189.417 0.000000 189.4175 
1 1 1   10    7    1 o  3006.68  127.556  142.817   12.009  146.589   16.994  139.054   16.973  3027.60  180.068  2946.82  184.879 80.77271 258.0782 
1 1 1   10    7    3 o  2188.35   88.976   75.314   6.0968   73.874   7.4578   78.215   10.586  2161.93  110.537  2215.20  153.569 -53.27344 189.2143 
1 1 1   10    7    5 o  3187.36  128.479  160.608   12.823  160.608   12.823   0.0000   0.0000  3187.36  128.479  ?   ?  0.000000 128.4788 
1 1 1   10    7    7 o  2719.84  173.625  118.462   14.710  118.462   14.710   0.0000   0.0000  2719.84  173.625  ?   ?  0.000000 173.6251 
1 1 1   10    7    9 o  483.177   91.506   3.7964   1.3338   4.7799   1.6178   1.7097   2.3565  542.416   98.898  382.759  144.278 159.6574 174.9196 
1 1 1   10    7   11 o  1342.79   98.706   28.597   4.1211   32.099   5.8065   25.043   5.8499  1416.11  132.489  1244.32  153.388 171.7841 202.6851 
1 1 1   10    7   13 o  2028.32   87.551   64.890   5.5605   65.312   9.6475   64.681   6.8044  2013.85  154.163  2018.36  108.057 -4.503174 188.2625 
1 1 1   10    7   15 o  1816.09   72.994   51.979   4.1509   51.230   5.8766   52.723   5.8639  1793.73  105.088  1820.27  103.307 -26.54016 147.3625 
1 1 1   10    7   17 o  835.351   78.259   11.123   2.0232   9.4495   2.4622   14.603   3.5499  763.370  105.855  947.427  122.533 -184.0573 161.9249 
1 1 1   10    7   19 o  1132.37   67.241   20.314   2.3735   18.857   3.3508   21.781   3.3624  1083.10   99.929  1166.64   92.811 -83.54492 136.3808 
1 1 1   10    7   21 o  452.711   86.190   3.3622   1.1772   2.7458   1.6916   3.9409   1.6391  409.560  122.448  486.350  110.185 -76.78949 164.7247 
1 1 1   10    7   23 o  260.658   97.633   0.8274   1.0757   1.5844   1.4366  -0.1389   1.6231  328.582  114.143  255.385  110.484 73.19722 158.8565 
1 1 1   10    7   25 o  566.894   82.551   5.2290   1.4223   5.0165   2.0663   5.4202   1.9608  544.215  124.020  568.736  114.073 -24.52051 168.5033 
1 1 1   10    7   27 o  243.516   88.897   0.7869   0.8818   1.9107   1.2772  -0.2367   1.2190  342.931  107.163  215.374   94.419 127.5565 142.8240 
1 1 1   10    7   29 o  956.776   71.113   14.676   2.1152   14.106   3.0670   15.194   2.9211  923.965  108.049  963.587   98.187 -39.62231 145.9980 
1 1 1   10    7   31 o  847.744   93.038   11.726   2.4291   12.098   4.7429   11.593   2.8282  814.570  189.516  836.016  110.765 -21.44598 219.5115 
1 1 1   10    7   33 o  1199.96   88.385   23.294   3.2976   24.703   6.0432   22.696   3.9351  1189.71  166.807  1175.09  108.159 14.61694 198.8041 
1 1 1   10    7   35 o  1230.39   86.010   24.508   3.2928   33.339   6.0487   20.788   3.9255  1400.38  139.812  1119.01  113.606 281.3673 180.1488 
1 1 1   10    7   37 o  1347.70  115.368   30.351   4.8216   0.0000   0.0000   30.351   4.8216  ?   ?   1347.70  115.368 0.000000 115.3680 
1 1 1   10    7   39 o  1573.19  114.439   41.549   5.5987   0.0000   0.0000   41.549   5.5987  ?   ?   1573.19  114.439 0.000000 114.4387 
1 1 1   10    7   41 f  2865.53  128.190  141.181   11.502   0.0000   0.0000  141.181   11.502  ?   ?   2865.53  128.190 0.000000 128.1900 
1 1 1   10    7   43 o  509.325  192.719   5.0992   4.2147   5.1270   5.5798   5.0622   6.4315  518.687  213.411  524.339  223.250 -5.652405 308.8442 
1 1 1   10    7   45 o  2282.81  147.093  102.485   10.458  116.771   14.499   86.989   15.100  2211.30  211.993  1653.00  302.900 558.2980 369.7149 
1 1 1   10    7   47 o  485.269  132.991   4.9684   2.0808   10.058   6.1392   4.3078   2.2117  512.881  218.238  442.478  141.367 70.40308 260.0244 
1 1 1   10    7   49 o  734.828  142.699   12.338   3.1650   20.186   7.2510   10.491   3.5179  586.040  242.416  614.337  174.626 -28.29700 298.7635 
1 1 1   10    7   51 f  470.718  211.345   16.333   6.4806   20.343   7.7878   7.3052   11.686  462.266  216.195  ?   ?  0.000000 216.1947 
1 1 1   10    7   53 o  ?   ?    0.7866   7.2296   0.7866   7.2296   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    8    0 o  2356.20  161.966   88.568   11.877   88.568   11.877   0.0000   0.0000  2356.20  161.966  ?   ?  0.000000 161.9662 
1 1 1   10    8    2 o  1780.30  104.310   50.093   5.7894   42.805   8.2049   57.319   8.1702  1633.71  162.549  1898.34  138.403 -264.6284 213.4890 
1 1 1   10    8    4 o  3257.75  133.367  167.887   13.605  178.788   19.251  157.011   19.228  3341.32  184.720  3125.57  197.484 215.7527 270.4097 
1 1 1   10    8    6 o  1737.86   72.036   47.437   3.9199   45.927   5.5417   48.950   5.5455  1703.81  104.377  1759.76  101.065 -55.94153 145.2880 
1 1 1   10    8    8 o  1671.23   71.347   43.881   3.7336   42.408   5.2769   45.358   5.2834  1636.59  103.505  1693.36  100.088 -56.76855 143.9826 
1 1 1   10    8   10 o  605.632  106.172   5.9594   1.9400   5.9594   1.9400   0.0000   0.0000  605.632  106.172  ?   ?  0.000000 106.1721 
1 1 1   10    8   12 o  1731.74  147.527   48.268   7.9234   0.0000   0.0000   48.268   7.9234  ?   ?   1731.74  147.527 0.000000 147.5272 
1 1 1   10    8   14 f  1419.12   80.875   31.882   3.5789   32.364   4.3771   30.910   6.2162  1426.06   98.631  1380.18  146.057 45.87195 176.2404 
1 1 1   10    8   16 o  1263.69   69.092   25.253   2.7236   24.753   3.8464   25.757   3.8570  1244.40   99.547  1269.99   97.742 -25.58704 139.5107 
1 1 1   10    8   18 f  516.195   81.441   4.3193   1.2727   5.4225   1.7776   3.1590   1.8230  575.068  102.477  437.924  126.104 137.1436 162.4925 
1 1 1   10    8   20 o  1208.51   79.185   23.239   2.9799   22.359   5.0788   23.701   3.6799  1164.84  142.195  1215.55   97.503 -50.70874 172.4133 
1 1 1   10    8   22 o  955.273   69.468   14.513   2.0637   12.885   2.9237   16.129   2.9134  890.121  107.045  1001.13   94.039 -111.0060 142.4844 
1 1 1   10    8   24 o  680.437   86.215   7.4995   1.7957   5.8011   2.2295   10.636   3.0297  586.566  125.201  799.650  125.097 -213.0839 176.9878 
1 1 1   10    8   26 f  786.054   76.464   9.9396   1.8582   9.0377   2.7550   10.692   2.5170  733.350  124.421  807.573  101.797 -74.22272 160.7584 
1 1 1   10    8   28 o  662.817   78.732   7.1163   1.6021   7.6815   2.3127   6.5950   2.2214  677.846  112.937  625.317  117.772 52.52930 163.1711 
1 1 1   10    8   30 o  498.342   94.725   4.1269   1.4241   3.4908   2.0152   4.7613   2.0127  453.680  133.149  528.165  123.850 -74.48459 181.8446 
1 1 1   10    8   32 o  1660.21  103.297   44.840   5.3433   49.398   7.5433   40.251   7.5699  1715.07  141.734  1533.10  160.048 181.9740 213.7843 
1 1 1   10    8   34 o  349.425  120.057   1.8783   1.5872   0.0000   0.0000   1.8783   1.5872  ?   ?   349.425  120.057 0.000000 120.0567 
1 1 1   10    8   36 o  1877.81  111.145   58.212   6.5061   0.0000   0.0000   58.212   6.5061  ?   ?   1877.81  111.145 0.000000 111.1446 
1 1 1   10    8   38 o  987.896  104.831   16.218   3.1933   12.269   6.1302   17.689   3.7409  774.325  233.456  1023.97  118.885 -249.6439 261.9836 
1 1 1   10    8   40 o  591.285  188.865   6.6663   3.9478   3.8743   5.0317   11.137   6.3672  508.591  205.097  722.131  240.501 -213.5396 316.0780 
1 1 1   10    8   42 o  1581.77  135.880   44.275   6.6646   48.038   9.0866   39.893   9.8048  1568.82  188.763  1351.88  240.436 216.9396 305.6812 
1 1 1   10    8   44 o  1707.76  134.447   54.036   7.1313   69.573   10.192   39.136   9.9815  1831.83  180.018  1195.68  272.649 636.1545 326.7172 
1 1 1   10    8   46 o  1164.62  167.422   29.792   5.9299   40.222   8.5139   19.966   8.2639  1204.09  234.246  680.882  266.628 523.2114 354.9109 
1 1 1   10    8   48 o  530.631  238.790   17.223   8.3266   17.223   8.3266   0.0000   0.0000  530.631  238.790  ?   ?  0.000000 238.7895 
1 1 1   10    8   50 o  379.507  187.143   8.1343   7.9714   8.1343   7.9714   0.0000   0.0000  379.507  187.143  ?   ?  0.000000 187.1429 
1 1 1   10    8   52 o  326.381  165.214   6.7814   8.4638   6.7814   8.4638   0.0000   0.0000  326.381  165.214  ?   ?  0.000000 165.2142 
1 1 1   10    8   54 o  ?   ?   -8.7171   7.1700 -16.6786   8.6017   9.4079   12.979  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    9    1 o  2962.52  181.387  140.465   16.745   0.0000   0.0000  140.465   16.745  ?   ?   2962.52  181.387 0.000000 181.3866 
1 1 1   10    9    3 o  3754.19  143.872  223.361   16.913  242.975   23.960  203.885   23.876  3890.22  197.344  3554.15  215.558 336.0696 292.2494 
1 1 1   10    9    5 o  1665.49  102.097   43.877   5.2987   47.752   7.5085   40.032   7.4786  1730.29  139.779  1580.25  153.057 150.0378 207.2789 
1 1 1   10    9    7 o  3762.04  119.089  223.791   14.029  229.361   17.188  212.676   24.279  3799.74  144.464  3621.49  215.068 178.2527 259.0836 
1 1 1   10    9    9 o  1681.08   83.010   44.494   4.3695   45.420   5.3546   42.650   7.5597  1693.18  101.464  1629.11  149.878 64.07397 180.9927 
1 1 1   10    9   11 o  1769.53  103.789   49.710   5.7256   51.818   8.1147   47.620   8.0799  1795.02  145.629  1718.35  151.726 76.67065 210.3057 
1 1 1   10    9   13 o  723.481   83.474   8.3707   1.8563   8.8858   2.2897   7.3825   3.1710  742.210  101.156  664.294  155.239 77.91644 185.2880 
1 1 1   10    9   15 o  765.753   82.708   9.3758   1.9516   9.2157   2.3917   9.6947   3.3764  754.607  103.980  763.320  146.594 -8.712952 179.7264 
1 1 1   10    9   17 o  1538.03  102.320   37.831   4.8996   44.769   6.9022   30.785   6.9561  1661.76  133.782  1362.79  166.474 298.9751 213.5679 
1 1 1   10    9   19 o  1407.83   83.260   31.525   3.6540   30.946   4.4801   32.676   6.3150  1388.79  103.774  1411.54  144.936 -22.74792 178.2564 
1 1 1   10    9   21 o  1156.85   79.604   21.321   2.8660   22.972   3.5372   18.167   4.8900  1196.66   95.186  1042.41  154.493 154.2548 181.4621 
1 1 1   10    9   23 o  1686.45   84.198   45.293   4.4463   48.297   5.4863   39.543   7.5897  1732.10  101.600  1535.51  160.214 196.5903 189.7129 
1 1 1   10    9   25 o  836.164   99.462   11.404   2.5531   14.432   3.6055   8.3584   3.6157  931.239  126.955  689.953  168.757 241.2862 211.1789 
1 1 1   10    9   27 o  1115.51   81.391   19.988   2.8233   19.459   4.7537   20.276   3.5093  1071.93  145.380  1115.84  101.549 -43.91040 177.3349 
1 1 1   10    9   29 o  1115.36   84.804   20.017   2.9396   18.969   4.8834   20.612   3.6813  1055.14  152.209  1123.64  105.878 -68.49963 185.4125 
1 1 1   10    9   31 o  523.531  108.122   4.5940   1.7138   4.4878   2.4346   4.6983   2.4128  511.586  145.220  522.854  143.174 -11.26791 203.9305 
1 1 1   10    9   33 o  2342.33   96.939   88.551   7.1099   92.690   8.6373   79.850   12.522  2381.24  115.840  2130.42  189.691 250.8203 222.2650 
1 1 1   10    9   35 o  1579.38  122.621   41.462   6.0166   45.491   8.2552   36.896   8.7873  1617.74  165.289  1421.12  203.263 196.6180 261.9855 
1 1 1   10    9   37 o  2767.21  136.086  129.329   11.792  129.055   16.388  129.624   16.980  2653.01  198.716  2643.09  206.811 9.925293 286.8079 
1 1 1   10    9   39 o  1234.70  207.378   29.076   7.7333   29.076   7.7333   0.0000   0.0000  1234.70  207.378  ?   ?  0.000000 207.3780 
1 1 1   10    9   41 f  2052.86  135.309   73.334   8.6489   85.447   11.944   59.984   12.540  2136.38  180.238  1680.02  245.633 456.3579 304.6660 
1 1 1   10    9   43 o  819.239  258.543   17.764   7.4152   17.764   7.4152   0.0000   0.0000  819.239  258.543  ?   ?  0.000000 258.5428 
1 1 1   10    9   47 o  527.660  239.392   14.543   8.5698   14.543   8.5698   0.0000   0.0000  527.660  239.392  ?   ?  0.000000 239.3920 
1 1 1   10    9   49 o  485.020  228.771   18.320   9.0498   18.320   9.0498   0.0000   0.0000  485.020  228.771  ?   ?  0.000000 228.7713 
1 1 1   10    9   51 o  372.710  182.571   8.8518   7.1907   19.215   9.3340  -6.2778   11.278  415.970  204.614  ?   ?  0.000000 204.6142 
1 1 1   10    9   53 o  366.237  182.720   18.968   8.5013   16.343   10.597   23.708   14.240  ?   ?   ?   ?  0.000000      ? 
1 1 1   10   10    0 o  4187.46  227.486  283.726   29.716   0.0000   0.0000  283.726   29.716  ?   ?   4187.46  227.486 0.000000 227.4864 
1 1 1   10   10    2 o  4953.99  179.474  391.918   27.840  386.115   39.371  397.722   39.374  4859.34  259.688  4935.23  255.667 -75.88330 364.4220 
1 1 1   10   10    4 o  2023.23  154.180   65.459   9.6942   0.0000   0.0000   65.459   9.6942  ?   ?   2023.23  154.180 0.000000 154.1800 
1 1 1   10   10    6 o  2606.57  118.460  107.486   9.6684  117.018   13.691   98.002   13.656  2702.78  162.526  2466.97  177.976 235.8186 241.0188 
1 1 1   10   10    8 o  951.844   98.729   14.454   2.8998   14.816   4.1456   14.107   4.0576  954.375  143.138  930.633  143.886 23.74255 202.9573 
1 1 1   10   10   10 f  1459.64  100.763   33.859   4.5772   34.403   6.5162   33.329   6.4309  1460.16  144.414  1436.84  144.916 23.32019 204.5876 
1 1 1   10   10   12 o  1714.61   84.169   46.421   4.5189   49.005   5.5466   41.321   7.7932  1755.53  101.333  1593.55  158.278 161.9843 187.9368 
1 1 1   10   10   14 o  585.277   90.223   5.5460   1.6003   6.1124   1.9537   4.3911   2.7900  611.711  105.828  518.422  157.764 93.28888 189.9717 
1 1 1   10   10   16 o  1264.49   81.676   25.393   3.2166   28.815   3.9867   19.012   5.4447  1343.99   95.353  1067.55  168.469 276.4399 193.5817 
1 1 1   10   10   18 f  539.570  113.509   4.8243   1.8570   4.8860   2.5085   4.7495   2.7621  539.794  145.231  533.964  155.647 5.830505 212.8806 
1 1 1   10   10   20 o  1057.06  100.731   17.986   3.2938   19.326   4.5369   16.492   4.7896  1084.18  136.679  991.715  159.658 92.46631 210.1716 
1 1 1   10   10   22 o  1209.25  101.413   23.578   3.8045   27.984   5.3460   19.056   5.4155  1305.34  132.636  1059.01  168.993 246.3268 214.8278 
1 1 1   10   10   24 f  275.906  109.001   0.7219   1.3922   1.2244   1.7703  -0.0926   2.2539  324.401  124.383  301.660  130.351 22.74072 180.1734 
1 1 1   10   10   26 o  650.415  175.450   7.4583   3.6554   0.0000   0.0000   7.4583   3.6554  ?   ?   650.415  175.450 0.000000 175.4502 
1 1 1   10   10   28 o  790.440   99.617   10.198   2.4108   9.7974   2.8461   11.216   4.5361  766.672  122.692  794.898  185.610 -28.22504 222.4958 
1 1 1   10   10   30 o  2150.91  162.507   78.083   10.864   78.083   10.864   0.0000   0.0000  2150.91  162.507  ?   ?  0.000000 162.5066 
1 1 1   10   10   32 o  3203.70  111.653  166.649   11.201  170.300   13.659  159.155   19.570  3211.14  135.843  2993.25  210.129 217.8904 250.2151 
1 1 1   10   10   34 o  1485.40   88.762   35.581   4.1096   34.664   4.8071   38.071   7.9216  1457.05  106.092  1478.00  174.535 -20.94946 204.2496 
1 1 1   10   10   36 o  588.136  196.156   6.1870   4.2351   9.6229   5.5806   1.5206   6.5035  708.794  224.355  509.198  220.725 199.5954 314.7292 
1 1 1   10   10   38 o  504.847  212.969   2.5384   5.7633   2.5384   5.7633   0.0000   0.0000  504.847  212.969  ?   ?  0.000000 212.9686 
1 1 1   10   10   40 o  621.214  238.521   7.4903   6.5158   7.4903   6.5158   0.0000   0.0000  621.214  238.521  ?   ?  0.000000 238.5206 
1 1 1   10   10   42 f  844.300  265.333   18.091   7.8177   18.091   7.8177   0.0000   0.0000  844.300  265.333  ?   ?  0.000000 265.3328 
1 1 1   10   10   44 o  1674.79  143.581   53.699   7.4569   80.698   11.151   31.861   10.029  1941.25  185.720  972.365  299.703 968.8874 352.5817 
1 1 1   10   10   46 o  1367.78  168.762   41.397   7.0745   64.374   10.465   22.058   9.6006  1559.97  220.376  653.717  275.273 906.2536 352.6199 
1 1 1   10   10   48 o  332.860  161.745  -0.7641   5.3291   11.325   8.2801  -9.3123   6.9628  463.877  218.807  300.087  151.699 163.7903 266.2500 
1 1 1   10   10   50 o  346.671  175.164   1.4462   9.1893   1.4462   9.1893   0.0000   0.0000  346.671  175.164  ?   ?  0.000000 175.1637 
1 1 1   10   10   52 o  355.745  177.605   10.629   8.0882   9.7068   9.8372   12.554   14.210  339.484  172.484  ?   ?  0.000000 172.4835 
1 1 1   10   11    1 o  2386.66  114.525   89.984   8.5587   92.121   12.107   87.849   12.101  2398.95  162.127  2341.12  166.150 57.82251 232.1442 
1 1 1   10   11    3 o  985.274  100.328   15.467   3.0521   15.141   4.2949   15.799   4.3380  965.329  146.706  986.967  144.662 -21.63812 206.0336 
1 1 1   10   11    5 o  2835.39  178.763  129.630   15.790   0.0000   0.0000  129.630   15.790  ?   ?   2835.39  178.763 0.000000 178.7628 
1 1 1   10   11    7 o  1958.91  107.500   60.901   6.5687   59.961   9.3015   61.836   9.2776  1929.65  155.255  1960.77  152.305 -31.11548 217.4881 
1 1 1   10   11    9 o  612.563  118.191   6.1561   2.1849   6.7853   3.3575   5.6939   2.8775  637.385  166.430  585.243  154.681 52.14227 227.2121 
1 1 1   10   11   11 o  2459.88   93.701   95.741   7.2173  107.002   8.8670   73.635   12.424  2595.69  109.096  2115.91  189.523 479.7781 218.6795 
1 1 1   10   11   13 o  1176.86   83.169   21.991   3.0451   23.385   3.7590   19.331   5.1934  1210.06  100.108  1083.09  157.766 126.9709 186.8466 
1 1 1   10   11   15 o  569.171  114.537   5.3447   1.9706   7.0166   2.7075   3.4614   2.8736  649.049  137.499  476.172  161.570 172.8772 212.1581 
1 1 1   10   11   17 o  852.709  103.771   11.740   2.7136   14.934   3.7664   8.2923   3.9130  956.132  129.106  697.281  178.469 258.8511 220.2714 
1 1 1   10   11   19 f  540.179  114.206   4.8435   1.8713   4.6551   2.4740   5.0954   2.8608  526.928  145.263  550.934  157.776 -24.00537 214.4641 
1 1 1   10   11   21 o  365.491  112.632   2.1520   1.4165   0.7461   1.7423   4.8929   2.4328  301.422  120.992  537.928  142.254 -236.5058 186.7495 
1 1 1   10   11   23 o  408.056  116.239   2.7642   1.5570   2.7826   1.9685   2.7334   2.5447  415.711  133.425  428.573  151.687 -12.86179 202.0178 
1 1 1   10   11   25 o  397.271  119.166   2.5971   1.6002   2.3132   1.9144   3.2553   2.9153  387.690  131.874  461.399  162.461 -73.70911 209.2468 
1 1 1   10   11   27 o  756.745  133.276   9.6047   3.0427   11.964   3.6387   4.1208   5.5479  842.790  142.995  559.661  218.655 283.1295 261.2617 
1 1 1   10   11   29 o  499.455  130.272   4.2192   2.0586   5.0164   2.2141  -0.8654   5.5919  544.011  131.446  448.785  199.240 95.22604 238.6935 
1 1 1   10   11   31 o  1182.94   96.893   22.598   3.5575   26.127   4.0973   11.787   7.1706  1269.67  103.972  793.479  254.653 476.1899 275.0606 
1 1 1   10   11   33 o  2460.95  119.743   98.957   9.2272   98.957   9.2272   0.0000   0.0000  2460.95  119.743  ?   ?  0.000000 119.7427 
1 1 1   10   11   35 o  665.768  132.616   7.5763   2.6675   7.5763   2.6675   0.0000   0.0000  665.768  132.616  ?   ?  0.000000 132.6163 
1 1 1   10   11   37 o  1509.23  102.923   37.252   4.8349   37.252   4.8349   0.0000   0.0000  1509.23  102.923  ?   ?  0.000000 102.9228 
1 1 1   10   11   39 f  511.879  225.643   1.4458   7.0489   0.0000   0.0000   1.4458   7.0489  ?   ?   511.879  225.643 0.000000 225.6428 
1 1 1   10   11   41 o  774.825  211.225   12.488   5.2653   12.621   7.4464   12.355   7.4462  727.548  259.269  720.464  258.997 7.083679 366.4695 
1 1 1   10   11   43 o  474.559  195.335   4.2230   4.6770  -5.8729   7.5364   10.547   5.9646  387.645  189.248  641.556  231.654 -253.9117 299.1299 
1 1 1   10   11   45 o  1304.66  173.812   36.819   6.9239   54.537   10.221   21.790   9.4128  1442.22  234.372  708.299  282.281 733.9172 366.8965 
1 1 1   10   11   47 o  621.174  230.894   14.031   5.9939   16.253   8.9982   12.258   8.0365  546.157  246.774  512.941  232.357 33.21582 338.9500 
1 1 1   10   11   49 o  407.884  200.637   8.0569   8.9749   8.0569   8.9749   0.0000   0.0000  407.884  200.637  ?   ?  0.000000 200.6374 
1 1 1   10   11   51 o  354.191  176.633   5.7736   7.9082   8.2796   10.146   1.8949   12.623  359.482  181.852  ?   ?  0.000000 181.8524 
1 1 1   10   12    0 o  2172.49  110.608   74.796   7.4994   67.560   10.582   82.096   10.630  2048.69  166.394  2264.90  150.745 -216.2095 224.5240 
1 1 1   10   12    2 o  2318.34  162.643   86.405   11.732   0.0000   0.0000   86.405   11.732  ?   ?   2318.34  162.643 0.000000 162.6433 
1 1 1   10   12    4 o  2585.69  117.804  105.986   9.5379  114.316   13.552   97.812   13.426  2665.65  163.151  2459.79  175.462 205.8586 239.5935 
1 1 1   10   12    6 o  1958.44  104.140   60.857   6.3633   72.692   9.1197   49.628   8.8831  2130.84  137.415  1750.29  163.995 380.5520 213.9559 
1 1 1   10   12    8 o  1101.45  144.066   19.727   4.8496   0.0000   0.0000   19.727   4.8496  ?   ?   1101.45  144.066 0.000000 144.0662 
1 1 1   10   12   10 f  2677.88  175.700  116.815   14.651   0.0000   0.0000  116.815   14.651  ?   ?   2677.88  175.700 0.000000 175.7003 
1 1 1   10   12   12 o  833.762  151.020   11.513   3.7975   0.0000   0.0000   11.513   3.7975  ?   ?   833.762  151.020 0.000000 151.0195 
1 1 1   10   12   14 o  733.937  157.840   9.0290   3.5196   0.0000   0.0000   9.0290   3.5196  ?   ?   733.937  157.840 0.000000 157.8397 
1 1 1   10   12   16 o  362.034  115.784   2.0529   1.4834   2.1158   1.8824   1.9499   2.4094  379.230  130.719  392.551  146.295 -13.32016 196.1882 
1 1 1   10   12   18 o  883.601   87.583   12.500   2.3913   10.473   2.9674   16.254   4.0386  799.236  122.477  996.055  132.796 -196.8196 180.6532 
1 1 1   10   12   20 o  1405.14  145.157   32.511   6.2946   32.511   6.2946   0.0000   0.0000  1405.14  145.157  ?   ?  0.000000 145.1573 
1 1 1   10   12   22 o  533.074  120.977   4.7671   1.9731   5.8035   2.2684   1.5461   3.9989  587.778  126.963  441.968  181.117 145.8097 221.1854 
1 1 1   10   12   24 o  543.644  134.109   5.0019   2.2688   5.0748   2.5958   4.7662   4.6694  546.302  148.051  560.997  204.597 -14.69543 252.5452 
1 1 1   10   12   26 o  1357.86  144.714   30.503   6.0582   30.503   6.0582   0.0000   0.0000  1357.86  144.714  ?   ?  0.000000 144.7145 
1 1 1   10   12   28 o  1680.55  150.884   46.783   7.8553   46.783   7.8553   0.0000   0.0000  1680.55  150.884  ?   ?  0.000000 150.8844 
1 1 1   10   12   30 o  1849.03  110.592   55.284   6.3737   55.284   6.3737   0.0000   0.0000  1849.03  110.592  ?   ?  0.000000 110.5925 
1 1 1   10   12   32 o  546.129  144.377   5.1102   2.5065   5.1102   2.5065   0.0000   0.0000  546.129  144.377  ?   ?  0.000000 144.3768 
1 1 1   10   12   34 o  1048.56  102.611   17.920   3.3258   19.010   3.8642   14.803   6.5320  1074.21  116.763  885.317  232.606 188.8918 260.2675 
1 1 1   10   12   36 o  3162.37  111.817  163.224   11.072  186.308   13.458  114.863   19.479  3357.40  128.014  2440.13  258.895 917.2705 288.8149 
1 1 1   10   12   38 o  1322.62  105.335   28.774   4.3262   31.363   4.9179   19.915   9.0970  1374.72  115.314  957.962  283.397 416.7629 305.9591 
1 1 1   10   12   40 o  1340.43  156.261   32.154   6.4355   45.421   8.9633   18.036   9.2458  1553.95  188.036  854.105  289.813 699.8450 345.4692 
1 1 1   10   12   42 o  1373.83  154.557   35.374   6.5333   42.379   9.4246   28.894   9.0648  1390.44  224.085  1063.88  271.277 326.5566 351.8603 
1 1 1   10   12   44 o  522.899  212.485   6.8296   5.4459   2.8179   8.2711   9.8998   7.2358  466.562  219.653  572.576  239.928 -106.0144 325.2890 
1 1 1   10   12   46 o  720.516  233.411   16.104   6.0136   20.891   9.1661   12.487   7.9681  659.418  272.645  551.828  241.669 107.5902 364.3338 
1 1 1   10   12   48 o  455.741  205.265   7.8153   6.1682   15.839   9.1094   1.0213   8.3824  510.039  236.955  382.391  189.176 127.6481 303.2085 
1 1 1   10   12   50 o  363.577  178.898   3.6215   7.1539   12.224   9.5367  -7.4485   10.818  413.328  203.982  ?   ?  0.000000 203.9820 
1 1 1   10   12   52 o  449.772  218.206   27.132   9.5958   26.439   11.941   28.396   16.123  393.277  198.795  ?   ?  0.000000 198.7952 
1 1 1   10   13    1 o  1591.32  101.298   40.178   5.0212   47.014   7.2766   33.963   6.9377  1713.02  136.799  1449.13  155.315 263.8960 206.9702 
1 1 1   10   13    3 o  2249.47  161.974   81.610   11.332   0.0000   0.0000   81.610   11.332  ?   ?   2249.47  161.974 0.000000 161.9737 
1 1 1   10   13    5 o  3192.33  192.720  166.106   19.174   0.0000   0.0000  166.106   19.174  ?   ?   3192.33  192.720 0.000000 192.7200 
1 1 1   10   13    7 o  2236.71  162.166   80.922   11.280   0.0000   0.0000   80.922   11.280  ?   ?   2236.71  162.166 0.000000 162.1663 
1 1 1   10   13    9 o  1259.16  145.050   25.719   5.6144   0.0000   0.0000   25.719   5.6144  ?   ?   1259.16  145.050 0.000000 145.0496 
1 1 1   10   13   11 f  2118.64  106.834   71.405   7.0645   87.392   10.169   56.491   9.8217  2331.63  139.928  1860.54  170.485 471.0846 220.5559 
1 1 1   10   13   13 o  1138.28  165.489   21.388   5.7256   21.388   5.7256   0.0000   0.0000  1138.28  165.489  ?   ?  0.000000 165.4888 
1 1 1   10   13   15 o  310.911  125.499   0.7153   1.8859   5.2805   3.4554  -1.2217   2.2508  567.546  176.082  271.159  122.887 296.3872 214.7234 
1 1 1   10   13   17 o  1648.78  162.427   44.764   8.2768   44.764   8.2768   0.0000   0.0000  1648.78  162.427  ?   ?  0.000000 162.4270 
1 1 1   10   13   19 o  1596.87   92.013   40.686   4.5813   40.429   5.5207   41.253   8.2104  1584.73  111.977  1573.89  169.259 10.84839 202.9468 
1 1 1   10   13   21 o  856.086  129.395   12.099   3.3604   17.847   4.2494   2.5046   5.4899  1041.55  133.359  522.569  212.957 518.9771 251.2677 
1 1 1   10   13   23 o  537.361  130.769   4.8568   2.1795   4.8568   2.1795   0.0000   0.0000  537.361  130.769  ?   ?  0.000000 130.7689 
1 1 1   10   13   25 o  1063.45  110.186   18.305   3.6159   18.305   3.6159   0.0000   0.0000  1063.45  110.186  ?   ?  0.000000 110.1861 
1 1 1   10   13   27 o  628.982  135.725   6.6489   2.5947   6.6489   2.5947   0.0000   0.0000  628.982  135.725  ?   ?  0.000000 135.7247 
1 1 1   10   13   29 o  1295.28   95.650   26.924   3.8520   28.973   4.4260   20.527   7.8209  1340.14  106.348  1063.29  240.527 276.8468 262.9893 
1 1 1   10   13   31 o  563.227  142.646   5.4070   2.5184   6.2676   2.7636   1.1913   6.1163  605.434  147.203  508.411  217.119 97.02258 262.3154 
1 1 1   10   13   33 o  2210.10  100.509   78.580   6.9556   84.334   8.4234   66.247   12.332  2274.91  118.663  1940.59  206.093 334.3136 237.8138 
1 1 1   10   13   35 o  982.617  105.094   15.778   3.1834   16.309   3.6245   13.985   6.6584  993.546  118.864  857.885  238.988 135.6608 266.9158 
1 1 1   10   13   37 o  437.375  128.684   3.2429   1.8802   2.3632   1.9997   9.9540   5.5230  389.606  134.704  724.330  222.267 -334.7240 259.8996 
1 1 1   10   13   39 o  895.463  120.567   13.623   3.2947   14.161   3.5803   10.653   8.4171  907.872  129.626  706.747  271.160 201.1251 300.5503 
1 1 1   10   13   41 o  1037.59  188.805   21.286   5.9082   36.559   8.5594   7.3857   8.1654  1329.51  212.782  592.562  251.906 736.9437 329.7465 
1 1 1   10   13   43 o  1005.43  198.063   21.922   6.0137   24.294   9.2469   20.183   7.9165  871.141  289.812  833.809  267.568 37.33258 394.4409 
1 1 1   10   13   45 o  394.069  183.935   0.7263   5.5920   8.0444   8.5245  -4.8020   7.4090  510.657  234.348  370.517  182.264 140.1397 296.8829 
1 1 1   10   13   47 o  681.810  244.111   17.119   6.6085   23.295   9.5629   11.474   9.1429  647.234  273.753  497.058  233.033 150.1761 359.5067 
1 1 1   10   13   49 o  411.023  203.896   7.4516   9.9876   7.4516   9.9876   0.0000   0.0000  411.023  203.896  ?   ?  0.000000 203.8956 
1 1 1   10   13   51 o  317.453  160.949  -2.8965   8.2505  -4.3303   10.280  -0.3016   13.830  ?   ?   ?   ?  0.000000      ? 
1 1 1   10   14    0 o  2534.59  170.410  103.781   13.446   0.0000   0.0000  103.781   13.446  ?   ?   2534.59  170.410 0.000000 170.4100 
1 1 1   10   14    4 o  1556.20  147.769   39.058   7.1142   0.0000   0.0000   39.058   7.1142  ?   ?   1556.20  147.769 0.000000 147.7688 
1 1 1   10   14    6 o  1028.65  106.469   16.931   3.3797   17.155   5.0317   16.746   4.5619  1021.42  162.788  1012.98  148.209 8.446228 220.1491 
1 1 1   10   14    8 o  1788.64  108.350   50.895   6.0397   48.789   8.6773   52.875   8.4117  1734.33  161.648  1810.41  149.730 -76.08203 220.3385 
1 1 1   10   14   10 o  1010.07  104.674   16.339   3.2626   24.349   5.0723   10.687   4.2609  1227.73  134.125  797.735  175.359 429.9972 220.7721 
1 1 1   10   14   12 o  902.645  186.118   13.742   5.0857   13.742   5.0857   0.0000   0.0000  902.645  186.118  ?   ?  0.000000 186.1176 
1 1 1   10   14   14 o  1367.11  114.071   29.982   4.8385   26.790   6.8251   33.206   6.8604  1270.65  176.288  1424.85  156.337 -154.1992 235.6242 
1 1 1   10   14   16 o  1626.77  163.601   43.549   8.2205   43.549   8.2205   0.0000   0.0000  1626.77  163.601  ?   ?  0.000000 163.6010 
1 1 1   10   14   18 o  427.620  177.368   1.0618   3.8970   1.0618   3.8970   0.0000   0.0000  427.620  177.368  ?   ?  0.000000 177.3684 
1 1 1   10   14   20 o  1701.33  165.783   47.924   8.7195   47.924   8.7195   0.0000   0.0000  1701.33  165.783  ?   ?  0.000000 165.7825 
1 1 1   10   14   22 o  712.900  207.319   8.7788   4.9056   8.7788   4.9056   0.0000   0.0000  712.900  207.319  ?   ?  0.000000 207.3189 
1 1 1   10   14   24 o  723.839  111.737   8.5602   2.4510   8.2225   2.7045   10.112   5.7984  705.028  127.187  761.894  226.454 -56.86646 259.7265 
1 1 1   10   14   26 o  313.018  121.353   1.0321   1.6988   0.4238   1.7842   6.9367   5.5585  290.957  120.293  653.713  224.668 -362.7554 254.8454 
1 1 1   10   14   28 o  1610.48  110.320   41.747   5.5297   41.747   5.5297   0.0000   0.0000  1610.48  110.320  ?   ?  0.000000 110.3199 
1 1 1   10   14   30 o  636.441  122.697   6.7514   2.3565   4.9743   2.5410   17.678   6.3004  541.834  146.329  1001.66  207.693 -459.8234 254.0643 
1 1 1   10   14   32 o  807.979  111.391   10.705   2.7432   10.843   3.0879   10.189   5.9755  808.314  126.118  751.327  231.300 56.98688 263.4490 
1 1 1   10   14   34 o  2139.04  104.089   73.707   6.9718   84.861   8.4240   49.462   12.420  2283.20  118.236  1636.20  250.393 647.0032 276.9055 
1 1 1   10   14   36 o  695.161  130.229   8.1950   2.7306   9.4227   3.0019   2.3101   6.5723  745.289  133.538  534.771  226.608 210.5172 263.0276 
1 1 1   10   14   38 o  1016.82  111.732   17.229   3.4988   19.057   3.9644   10.789   7.4406  1064.51  121.091  725.236  259.091 339.2687 285.9915 
1 1 1   10   14   40 o  717.606  141.359   9.2705   3.0633   9.6953   3.3329   6.9582   7.7759  727.669  151.211  598.449  249.577 129.2197 291.8104 
1 1 1   10   14   42 o  455.209  138.263   3.8701   2.1444   4.1900   2.2657   1.1202   6.6429  471.388  141.883  453.196  207.572 18.19193 251.4298 
1 1 1   10   14   44 o  424.936  192.898   1.9353   5.5745  -7.6717   8.8193   8.3273   7.1938  387.938  192.298  546.164  234.412 -158.2257 303.1951 
1 1 1   10   14   46 o  721.657  248.147   17.405   6.7815   15.025   10.013   19.421   9.2172  561.109  256.182  646.531  270.849 -85.42188 372.8116 
1 1 1   10   14   48 f  405.756  197.381   3.1589   7.9933   0.0000   0.0000   3.1589   7.9933  ?   ?   405.756  197.381 0.000000 197.3806 
1 1 1   10   14   50 o  ?   ?   -2.4730   12.760   0.0000   0.0000  -2.4730   12.760  ?   ?   ?   ?  0.000000      ? 
1 1 1   10   15    1 o  1941.91  107.141   59.846   6.4896   67.539   9.3027   52.552   9.0576  2051.96  145.732  1803.47  162.127 248.4890 217.9977 
1 1 1   10   15    3 o  2874.69  124.704  131.293   11.225  143.483   15.955  119.346   15.796  2981.33  171.635  2710.34  187.268 270.9863 254.0238 
1 1 1   10   15    5 o  1390.14  158.443   31.371   6.7736   0.0000   0.0000   31.371   6.7736  ?   ?   1390.14  158.443 0.000000 158.4427 
1 1 1   10   15    7 o  3708.67  147.842  220.211   17.169  214.771   24.270  225.659   24.289  3612.42  215.549  3707.62  210.084 -95.20117 300.9931 
1 1 1   10   15    9 o  1074.59  118.745   18.573   3.9288   16.424   5.5866   20.676   5.5261  990.578  186.966  1122.52  161.902 -131.9397 247.3230 
1 1 1   10   15   11 o  1291.34  167.345   27.390   6.6075   27.390   6.6075   0.0000   0.0000  1291.34  167.345  ?   ?  0.000000 167.3454 
1 1 1   10   15   13 o  1785.02  163.794   52.073   9.0528   52.073   9.0528   0.0000   0.0000  1785.02  163.794  ?   ?  0.000000 163.7937 
1 1 1   10   15   15 o  603.186  203.352   5.7777   4.5517   5.7777   4.5517   0.0000   0.0000  603.186  203.352  ?   ?  0.000000 203.3522 
1 1 1   10   15   17 o  388.054  156.368   1.2230   2.9223  -1.8205   4.0643   4.4808   4.2049  368.140  166.139  549.041  194.919 -180.9006 256.1164 
1 1 1   10   15   19 o  1214.69  123.873   23.873   4.6456   27.049   6.5204   20.600   6.6204  1277.83  166.952  1099.55  199.641 178.2872 260.2495 
1 1 1   10   15   21 o  615.003  217.594   5.7606   5.2359   0.0000   0.0000   5.7606   5.2359  ?   ?   615.003  217.594 0.000000 217.5941 
1 1 1   10   15   23 o  1503.93  125.531   36.478   5.8574   41.929   7.9737   30.089   8.6328  1598.41  161.531  1327.73  214.998 270.6803 268.9173 
1 1 1   10   15   25 o  860.230  166.390   12.453   4.3198   13.516   5.9425   11.261   6.2906  880.631  216.926  803.112  235.118 77.51874 319.9020 
1 1 1   10   15   27 o  484.175  140.674   3.8810   2.2595   4.7041   2.4202  -1.7069   6.3059  529.736  142.706  469.238  209.732 60.49799 253.6775 
1 1 1   10   15   29 o  802.210  132.181   10.660   3.2046   10.660   3.2046   0.0000   0.0000  802.210  132.181  ?   ?  0.000000 132.1812 
1 1 1   10   15   31 f  1335.27  108.461   28.787   4.4956   34.291   5.3162   14.970   8.4230  1454.25  117.756  895.787  274.422 558.4672 298.6198 
1 1 1   10   15   33 o  1009.58  111.479   16.606   3.4653   20.060   3.9650   5.4347   7.1306  1109.02  115.891  629.977  247.381 479.0433 273.1816 
1 1 1   10   15   35 o  1082.98  109.050   19.157   3.6476   22.528   4.2012   8.8352   7.3520  1172.11  115.991  707.203  256.907 464.9105 281.8777 
1 1 1   10   15   37 o  301.878  125.658   0.5170   1.9659   1.5141   2.0644  -9.1840   6.4396  349.293  134.225  361.957  176.317 -12.66336 221.5939 
1 1 1   10   15   39 o  442.604  146.184   3.3963   2.3542   3.6192   2.4741   1.2613   7.6573  454.920  149.839  510.113  229.327 -55.19290 273.9389 
1 1 1   10   15   41 o  559.400  147.354   5.8805   2.6170   7.6264   2.8144  -5.2716   7.1130  641.313  143.713  396.958  191.409 244.3548 239.3548 
1 1 1   10   15   43 o  912.944  132.545   15.353   3.6783   14.740   4.1193   17.766   8.1710  869.125  157.147  762.513  271.606 106.6123 313.7911 
1 1 1   10   15   45 o  688.923  275.279   18.755   8.9741   0.0000   0.0000   18.755   8.9741  ?   ?   688.923  275.279 0.000000 275.2785 
1 1 1   10   15   47 o  323.469  163.478 -12.3244   8.0434   0.0000   0.0000 -12.3244   8.0434  ?   ?   323.469  163.478 0.000000 163.4776 
1 1 1   10   15   49 o  462.897  225.842   14.107   10.684   14.107   10.684   0.0000   0.0000  462.897  225.842  ?   ?  0.000000 225.8420 
1 1 1   10   16    0 o  2681.61  178.799  116.348   14.927   0.0000   0.0000  116.348   14.927  ?   ?   2681.61  178.799 0.000000 178.7991 
1 1 1   10   16    2 o  1985.36  113.552   62.654   7.0299   66.332   9.9307   58.959   9.9528  2029.18  157.528  1908.60  168.260 120.5795 230.4917 
1 1 1   10   16    4 o  1571.31  111.778   39.314   5.4638   41.093   7.7211   37.530   7.7328  1594.07  156.712  1520.04  165.123 74.02783 227.6499 
1 1 1   10   16    8 o  1334.93  166.680   29.153   6.8154   29.153   6.8154   0.0000   0.0000  1334.93  166.680  ?   ?  0.000000 166.6803 
1 1 1   10   16   10 f  1390.04  167.997   31.672   7.1638   31.672   7.1638   0.0000   0.0000  1390.04  167.997  ?   ?  0.000000 167.9973 
1 1 1   10   16   12 o  1946.65  116.446   60.559   7.0653   57.438   9.9425   63.743   10.042  1873.64  171.367  1978.19  163.587 -104.5516 236.9125 
1 1 1   10   16   14 o  455.486  166.589   2.7940   3.0989   1.0271   4.3391   4.6334   4.4272  448.902  186.757  561.984  199.951 -113.0825 273.6026 
1 1 1   10   16   16 o  871.567  149.622   12.561   3.9362   22.449   5.4555   1.8246   5.6850  1170.51  152.465  521.032  215.016 649.4808 263.5856 
1 1 1   10   16   18 o  312.500  142.193  -1.7660   3.0519  -2.2929   4.0025  -1.0342   4.7170  356.796  162.538  418.120  184.434 -61.32440 245.8342 
1 1 1   10   16   20 o  317.585  145.407  -2.1167   3.2558  -5.7448   4.2041   3.3199   5.1463  312.055  149.627  542.046  210.918 -229.9910 258.6010 
1 1 1   10   16   22 o  486.965  210.035  -0.0001   5.8301   0.0000   0.0000  -0.0001   5.8301  ?   ?   486.965  210.035 0.000000 210.0354 
1 1 1   10   16   24 o  1035.24  204.413   18.288   6.3911   18.288   6.3911   0.0000   0.0000  1035.24  204.413  ?   ?  0.000000 204.4129 
1 1 1   10   16   26 o  566.503  194.645   4.9868   4.1721   11.565   5.2761  -5.9901   6.8155  817.528  206.150  429.001  201.149 388.5260 288.0261 
1 1 1   10   16   28 o  418.943  175.693   0.7646   3.8852   3.0872   5.1317  -2.3547   5.9470  529.973  209.303  444.272  200.689 85.70035 289.9720 
1 1 1   10   16   30 o  1268.38  110.913   25.950   4.3607   25.950   4.3607   0.0000   0.0000  1268.38  110.913  ?   ?  0.000000 110.9127 
1 1 1   10   16   32 o  1446.37   84.471   33.351   3.8090   33.792   4.2391   31.505   8.6791  1452.95   93.674  1343.90  213.379 109.0502 233.0357 
1 1 1   10   16   34 o  1757.98  106.475   49.966   5.8334   49.710   6.9426   50.581   10.759  1741.18  128.241  1698.01  206.607 43.17151 243.1716 
1 1 1   10   16   36 o  1367.70  109.619   30.696   4.6551   32.609   5.4379   25.449   9.0061  1400.25  125.351  1132.25  259.570 268.0027 288.2524 
1 1 1   10   16   38 o  463.224  145.306   3.7464   2.3458   3.1717   2.4596   9.5270   7.8007  435.623  149.465  680.036  261.011 -244.4128 300.7764 
1 1 1   10   16   40 o  253.754  113.320  -0.4546   1.8366  -0.5472   1.9086   0.7036   6.7517  255.941  114.819  469.744  212.866 -213.8027 241.8578 
1 1 1   10   16   42 o  471.966  151.084   4.2314   2.5253   3.6904   2.6736   8.7043   7.6879  446.061  155.671  594.736  248.105 -148.6748 292.8987 
1 1 1   10   16   44 o  262.910  133.079 -14.6422   5.4871 -15.2682   8.3993 -14.1762   7.2474  340.047  171.280  317.843  159.966 22.20331 234.3629 
1 1 1   10   16   46 o  514.611  146.261   5.4832   2.4680   5.4679   2.5529   5.7013   9.6526  510.570  149.868  480.144  229.275 30.42535 273.9116 
1 1 1   10   16   48 o  421.619  208.969   2.9035   10.404   0.0000   0.0000   2.9035   10.404  ?   ?   421.619  208.969 0.000000 208.9693 
1 1 1   10   17    1 o  2211.83  167.672   79.063   11.526   79.063   11.526   0.0000   0.0000  2211.83  167.672  ?   ?  0.000000 167.6719 
1 1 1   10   17    3 o  587.862  195.622   5.3785   4.2130   5.3785   4.2130   0.0000   0.0000  587.862  195.622  ?   ?  0.000000 195.6224 
1 1 1   10   17    5 f  1897.32  165.141   58.342   9.7132   58.342   9.7132   0.0000   0.0000  1897.32  165.141  ?   ?  0.000000 165.1411 
1 1 1   10   17    7 o  2201.31  117.749   77.209   8.0868   77.024   11.388   77.397   11.486  2179.18  168.192  2183.99  169.278 -4.812500 238.6283 
1 1 1   10   17    9 o  1807.78  116.734   52.149   6.5725   52.297   9.2488   51.998   9.3419  1793.08  166.634  1786.99  168.958 6.095581 237.3047 
1 1 1   10   17   11 o  1565.35  116.644   39.163   5.6763   35.021   8.0785   43.201   7.9773  1458.88  180.713  1631.04  158.186 -172.1606 240.1672 
1 1 1   10   17   13 o  1077.38  187.556   19.378   6.0974   0.0000   0.0000   19.378   6.0974  ?   ?   1077.38  187.556 0.000000 187.5556 
1 1 1   10   17   15 o  539.956  208.342   3.3548   4.9889   0.0000   0.0000   3.3548   4.9889  ?   ?   539.956  208.342 0.000000 208.3425 
1 1 1   10   17   17 o  1285.32  193.214   27.424   7.5356   0.0000   0.0000   27.424   7.5356  ?   ?   1285.32  193.214 0.000000 193.2137 
1 1 1   10   17   19 o  713.403  183.183   8.5684   4.1132   9.8767   5.3775   6.7239   6.3852  763.748  215.489  672.773  240.049 90.97504 322.5822 
1 1 1   10   17   21 o  550.982  192.526   4.5040   4.0900   10.201   5.3645  -3.4045   6.3208  774.391  214.077  448.402  204.265 325.9890 295.8932 
1 1 1   10   17   25 o  1122.06  154.107   20.697   5.2715   21.601   6.9010   19.430   8.1683  1128.42  202.762  1049.89  251.728 78.53821 323.2325 
1 1 1   10   17   27 o  426.777  176.092   1.1159   3.8122   3.3412   5.3237  -1.2263   5.4617  545.225  213.863  445.819  197.463 99.40628 291.0824 
1 1 1   10   17   29 o  2026.96  103.681   65.620   6.5585   84.792   8.0464   27.671   11.321  2303.81  111.542  1221.91  298.447 1081.895 318.6095 
1 1 1   10   17   31 o  525.529  180.552   4.3058   3.5898   5.7096   4.4007   1.5142   6.2058  593.634  199.952  525.229  221.249 68.40527 298.2146 
1 1 1   10   17   33 o  1483.06  208.024   38.421   9.3945   0.0000   0.0000   38.421   9.3945  ?   ?   1483.06  208.024 0.000000 208.0240 
1 1 1   10   17   35 o  1206.60   97.636   23.634   3.6572   24.885   4.1046   18.815   8.0558  1233.83  107.311  976.745  259.129 257.0823 280.4698 
1 1 1   10   17   37 o  265.306  114.680  -0.0306   1.7457   0.4524   1.8006  -7.5945   7.1251  287.717  120.052  398.049  191.846 -110.3319 226.3127 
1 1 1   10   17   39 o  925.911  123.986   14.779   3.5044   15.907   3.7572   7.2354   9.7182  957.874  128.508  626.081  270.603 331.7929 299.5675 
1 1 1   10   17   41 o  885.250  127.728   13.873   3.4381   13.355   3.7912   16.272   8.1588  852.833  147.294  786.107  272.076 66.72632 309.3877 
1 1 1   10   17   43 o  351.791  139.737   1.7349   2.2996   1.5050   2.3915   4.5542   8.3748  345.996  140.727  517.748  235.571 -171.7516 274.4046 
1 1 1   10   17   45 o  507.427  156.212   5.3182   2.7255   4.1401   2.8511   17.814   9.2856  451.080  160.464  682.328  277.385 -231.2482 320.4542 
1 1 1   10   17   47 o  413.017  149.416   3.5491   2.4831   3.5491   2.4831   0.0000   0.0000  413.017  149.416  ?   ?  0.000000 149.4163 
1 1 1   10   18    0 o  711.082  199.598   8.4525   4.6260   0.0000   0.0000   8.4525   4.6260  ?   ?   711.082  199.598 0.000000 199.5981 
1 1 1   10   18    2 o  603.839  199.930   5.7001   4.4026   0.0000   0.0000   5.7001   4.4026  ?   ?   603.839  199.930 0.000000 199.9304 
1 1 1   10   18    4 o  716.513  154.018   8.5214   3.3527   6.9939   4.6737   10.141   4.8122  655.776  205.002  775.747  197.571 -119.9708 284.7109 
1 1 1   10   18    6 o  806.805  149.025   10.721   3.6261   18.183   5.2356   3.8416   5.0271  1052.47  164.230  557.102  210.552 495.3725 267.0275 
1 1 1   10   18    8 o  1643.41  116.895   43.049   5.9761   39.118   8.4907   46.909   8.4127  1547.77  178.465  1703.19  159.607 -155.4266 239.4243 
1 1 1   10   18   10 o  655.119  173.314   7.1568   3.6102   11.299   5.0985   2.9914   5.1128  818.313  200.542  535.509  209.715 282.8038 290.1677 
1 1 1   10   18   12 o  1352.54  120.801   29.249   5.0622   33.377   7.0997   24.979   7.2200  1434.69  160.805  1228.44  194.153 206.2550 252.0981 
1 1 1   10   18   14 o  442.330  174.309   1.8645   3.5520  -3.2457   4.7690   8.2310   5.3230  381.619  175.187  708.049  218.362 -326.4302 279.9512 
1 1 1   10   18   16 o  684.200  176.923   7.8200   3.8185   7.9881   4.9735   7.5786   5.9597  695.998  210.380  694.206  232.694 1.791992 313.6971 
1 1 1   10   18   18 o  601.451  189.435   5.8211   3.9824   3.9266   5.3464   8.1823   5.9689  569.295  216.660  712.851  232.639 -143.5557 317.9030 
1 1 1   10   18   20 o  988.958  212.991   16.582   6.4007   16.582   6.4007   0.0000   0.0000  988.958  212.991  ?   ?  0.000000 212.9906 
1 1 1   10   18   22 o  812.195  185.301   11.125   4.6084   10.696   6.0474   11.719   7.1169  793.161  230.049  829.518  251.870 -36.35657 341.1176 
1 1 1   10   18   24 o  1373.41  220.776   31.923   9.1728   0.0000   0.0000   31.923   9.1728  ?   ?   1373.41  220.776 0.000000 220.7760 
1 1 1   10   18   26 o  792.002  160.692   10.491   3.8489   12.269   4.6078   6.3896   7.0006  852.981  178.260  671.568  249.550 181.4130 306.6785 
1 1 1   10   18   28 o  865.427  184.358   12.717   4.8429   11.770   7.3239   13.453   6.4556  823.850  256.477  877.613  231.559 -53.76282 345.5431 
1 1 1   10   18   30 o  1143.21  158.800   21.685   5.5310   20.933   7.8296   22.434   7.8143  1088.38  236.502  1131.69  228.392 -43.31055 328.7799 
1 1 1   10   18   32 o  821.954  258.059   12.339   7.3970   0.0000   0.0000   12.339   7.3970  ?   ?   821.954  258.059 0.000000 258.0594 
1 1 1   10   18   34 o  790.690  164.257   10.889   3.9339   6.5562   4.7663   20.148   6.9672  615.103  208.086  1047.97  219.361 -432.8680 302.3558 
1 1 1   10   18   36 o  992.306  150.110   17.054   4.5184   16.499   5.3350   18.463   8.4981  952.695  185.512  934.483  273.190 18.21289 330.2237 
1 1 1   10   18   38 o  667.359  152.348   8.0302   3.1135   8.5832   3.3074   3.7255   9.2281  687.890  157.010  582.250  257.342 105.6406 301.4582 
1 1 1   10   18   40 o  445.604  141.109   3.5363   2.2074   3.5380   2.2652   3.5044   9.8376  445.915  143.128  563.201  255.891 -117.2858 293.1993 
1 1 1   10   18   42 o  502.684  160.070   4.8535   2.8375   4.8535   2.8375   0.0000   0.0000  502.684  160.070  ?   ?  0.000000 160.0702 
1 1 1   10   18   44 o  1155.78  133.844   24.604   4.7542   24.604   4.7542   0.0000   0.0000  1155.78  133.844  ?   ?  0.000000 133.8443 
1 1 1   10   18   46 o  552.026  164.100   6.5759   3.0447   6.5759   3.0447   0.0000   0.0000  552.026  164.100  ?   ?  0.000000 164.0999 
1 1 1   10   19    3 o  989.683  135.116   15.835   4.0778   23.827   5.8725   8.3935   5.6667  1211.73  158.581  718.891  225.896 492.8388 276.0010 
1 1 1   10   19    5 o  1425.88  121.099   32.427   5.3557   25.677   7.5484   39.269   7.6000  1246.76  200.125  1560.86  157.661 -314.0947 254.7690 
1 1 1   10   19    7 o  760.663  162.716   9.5839   3.7584   9.7446   5.4061   9.4336   5.2286  764.377  216.199  752.469  212.546 11.90771 303.1796 
1 1 1   10   19    9 o  1177.54  130.253   22.249   4.7222   12.771   6.7483   31.343   6.6103  870.141  239.925  1394.25  153.982 -524.1118 285.0870 
1 1 1   10   19   11 o  717.455  174.524   8.5678   3.8832   9.5659   5.5458   7.6078   5.4390  758.969  220.352  690.229  221.813 68.73975 312.6591 
1 1 1   10   19   13 o  682.747  190.055   7.7274   4.2126   4.3649   5.5992   12.113   6.3947  591.688  222.523  848.087  233.435 -256.3994 322.5036 
1 1 1   10   19   15 o  432.223  177.879   1.0345   3.8776   4.4841   5.0297  -4.0199   6.0883  578.818  212.154  432.219  198.241 146.5999 290.3596 
1 1 1   10   19   17 o  2123.79  124.955   71.801   8.2731   60.415   11.335   84.782   12.103  1926.13  190.430  2293.05  169.766 -366.9146 255.1151 
1 1 1   10   19   19 o  794.737  191.461   10.616   4.7081   6.5968   6.0929   16.572   7.4173  666.433  234.840  983.784  242.366 -317.3513 337.4777 
1 1 1   10   19   21 o  1699.04  195.557   47.457   10.214   0.0000   0.0000   47.457   10.214  ?   ?   1699.04  195.557 0.000000 195.5570 
1 1 1   10   19   23 o  1292.34  150.051   27.109   5.9590   45.339   8.3018   7.7334   8.5587  1671.76  160.568  740.976  275.810 930.7823 319.1449 
1 1 1   10   19   25 o  1779.35  133.061   50.842   7.3599   77.407   10.616   26.259   10.212  2188.06  155.973  1222.81  273.562 965.2449 314.9030 
1 1 1   10   19   27 o  335.909  157.594  -4.0732   4.1941  -4.4544   6.1841  -3.7485   5.7072  425.693  196.880  415.292  191.014 10.40103 274.3139 
1 1 1   10   19   29 o  1555.53  113.678   38.839   5.4987   54.651   6.8097   9.2126   9.3213  1844.67  118.521  773.057  287.820 1071.613 311.2679 
1 1 1   10   19   31 o  1754.55  135.611   50.275   7.3925   50.275   7.3925   0.0000   0.0000  1754.55  135.611  ?   ?  0.000000 135.6114 
1 1 1   10   19   33 o  403.058  168.861   0.9136   3.5830  -0.6796   4.1716   5.3946   6.9960  390.564  172.802  619.302  244.446 -228.7388 299.3567 
1 1 1   10   19   35 o  791.996  173.783   11.205   4.1913   9.5698   4.8850   15.767   8.1601  716.804  206.431  876.680  270.361 -159.8761 340.1605 
1 1 1   10   19   37 o  434.529  190.940   0.3644   5.0110   1.2130   5.8254  -2.0500   9.8266  477.222  207.876  530.403  246.314 -53.18103 322.3087 
1 1 1   10   19   39 o  707.550  144.378   8.9566   3.0904   8.9566   3.0904   0.0000   0.0000  707.550  144.378  ?   ?  0.000000 144.3784 
1 1 1   10   19   41 o  501.996  144.894   4.6388   2.4042   4.6388   2.4042   0.0000   0.0000  501.996  144.894  ?   ?  0.000000 144.8941 
1 1 1   10   19   43 o  312.420  127.961   1.0094   1.9947   1.1920   2.0407  -2.9083   9.4544  321.938  130.337  460.880  221.850 -138.9416 257.3040 
1 1 1   10   20    0 o  675.933  212.028   7.3193   4.9947   0.0000   0.0000   7.3193   4.9947  ?   ?   675.933  212.028 0.000000 212.0283 
1 1 1   10   20    2 o  1442.25  176.845   33.686   7.8191   33.686   7.8191   0.0000   0.0000  1442.25  176.845  ?   ?  0.000000 176.8451 
1 1 1   10   20    4 o  989.862  199.297   16.259   5.9635   16.259   5.9635   0.0000   0.0000  989.862  199.297  ?   ?  0.000000 199.2967 
1 1 1   10   20    6 o  553.499  185.140   4.6411   3.7726   12.587   5.2380  -3.9245   5.4383  869.301  196.989  405.147  186.390 464.1544 271.1932 
1 1 1   10   20    8 o  1079.95  139.589   18.784   4.6098   17.373   6.3126   20.397   6.7477  1022.73  204.270  1111.00  201.380 -88.26642 286.8452 
1 1 1   10   20   10 o  839.406  175.082   11.655   4.4529   14.222   6.0197   8.5546   6.6173  921.778  212.860  739.328  245.129 182.4504 324.6500 
1 1 1   10   20   12 o  1958.47  125.036   60.932   7.6278   59.857   10.546   62.113   11.046  1927.21  176.729  1961.86  181.879 -34.65662 253.6003 
1 1 1   10   20   14 o  752.158  182.746   9.4239   4.2616   4.8147   5.5457   16.071   6.6597  604.039  222.561  977.405  222.583 -373.3666 314.7650 
1 1 1   10   20   16 o  829.856  258.895   11.359   7.4582   0.0000   0.0000   11.359   7.4582  ?   ?   829.856  258.895 0.000000 258.8945 
1 1 1   10   20   18 o  940.337  252.554   15.071   7.5939   0.0000   0.0000   15.071   7.5939  ?   ?   940.337  252.554 0.000000 252.5544 
1 1 1   10   20   20 o  1343.25  144.726   29.080   5.9911   36.240   8.0681   20.278   8.9451  1491.83  176.114  1084.69  265.512 407.1370 318.6112 
1 1 1   10   20   22 f  408.880  171.938   0.4716   3.7372   1.8254   4.5576  -2.3072   6.5295  482.893  195.033  477.024  213.300 5.869049 289.0237 
1 1 1   10   20   24 o  326.038  149.424  -2.3214   3.4498   0.0758   4.3991  -6.1505   5.5598  430.069  183.911  376.360  178.064 53.70828 255.9878 
1 1 1   10   20   26 o  1166.68  158.232   22.301   5.6313   38.451   8.3519   8.8376   7.6254  1529.78  177.665  750.144  262.838 779.6401 317.2519 
1 1 1   10   20   28 o  895.854  163.906   13.423   4.4283   18.840   5.3868   2.1315   7.7775  1064.05  167.190  592.862  248.604 471.1914 299.5941 
1 1 1   10   20   30 o  779.477  177.793   10.454   4.2434   14.998   5.1938   1.3334   7.3588  934.751  184.001  557.183  238.056 377.5679 300.8770 
1 1 1   10   20   32 o  607.698  212.081   6.1107   4.9623   6.1107   4.9623   0.0000   0.0000  607.698  212.081  ?   ?  0.000000 212.0806 
1 1 1   10   20   34 o  919.057  200.178   15.337   5.5976   15.337   5.5976   0.0000   0.0000  919.057  200.178  ?   ?  0.000000 200.1782 
1 1 1   10   20   36 o  324.254  156.949  -6.6531   4.8938  -6.6531   4.8938   0.0000   0.0000  324.254  156.949  ?   ?  0.000000 156.9486 
1 1 1   10   20   38 o  476.077  196.583   2.6465   4.7562   2.8844   5.3296   1.7159   10.541  496.517  206.806  581.384  264.434 -84.86737 335.6992 
1 1 1   10   20   40 o  540.115  253.957  -0.9257   10.994   0.0000   0.0000  -0.9257   10.994  ?   ?   540.115  253.957 0.000000 253.9572 
1 1 1   10   20   42 o  503.734  229.160   1.9757   7.9213   1.4266   10.643   2.6577   11.861  534.852  250.964  559.416  263.268 -24.56335 363.7211 
1 1 1   10   21    1 o  645.201  180.403   6.8231   3.7867   8.2011   5.4647   5.5503   5.2521  714.484  221.398  621.870  218.121 92.61304 310.7959 
1 1 1   10   21    3 f  1794.86  123.009   51.088   6.8716   54.919   9.6861   47.207   9.7500  1851.14  168.968  1711.05  184.920 140.0903 250.4912 
1 1 1   10   21    5 o  404.822  168.636   0.5936   3.5444   9.5115   5.1404  -7.4894   4.8938  758.468  209.511  329.433  158.829 429.0346 262.9094 
1 1 1   10   21    7 o  676.591  187.249   7.5328   4.1016   9.1073   5.8407   6.0008   5.7612  748.990  228.339  647.443  228.337 101.5467 322.9187 
1 1 1   10   21    9 o  507.933  214.967   0.4722   5.9026   0.0000   0.0000   0.4722   5.9026  ?   ?   507.933  214.967 0.000000 214.9673 
1 1 1   10   21   11 o  485.567  214.844  -1.8227   6.4490   0.0000   0.0000  -1.8227   6.4490  ?   ?   485.567  214.844 0.000000 214.8436 
1 1 1   10   21   13 o  636.276  241.538   4.8663   6.6341   0.0000   0.0000   4.8663   6.6341  ?   ?   636.276  241.538 0.000000 241.5385 
1 1 1   10   21   15 f  687.874  250.128   6.5337   6.9715   0.0000   0.0000   6.5337   6.9715  ?   ?   687.874  250.128 0.000000 250.1279 
1 1 1   10   21   17 o  459.488  203.173  -1.5772   5.7583  -1.5772   5.7583   0.0000   0.0000  459.488  203.173  ?   ?  0.000000 203.1735 
1 1 1   10   21   19 o  1073.65  173.584   18.895   5.6365   12.667   7.2764   28.238   8.9126  868.374  252.485  1300.97  227.045 -432.5948 339.5558 
1 1 1   10   21   21 o  569.595  207.111   4.4152   4.7798   1.0600   6.4739   8.4357   7.0867  539.284  226.511  739.547  253.707 -200.2621 340.1094 
1 1 1   10   21   23 o  523.724  182.079   4.0195   3.6559   4.3667   4.4739   3.3216   6.3428  558.366  200.753  584.359  232.087 -25.99335 306.8653 
1 1 1   10   21   25 o  568.783  194.658   4.9247   4.1715   5.2712   5.1790   4.2847   7.0384  603.425  216.097  624.432  245.594 -21.00671 327.1306 
1 1 1   10   21   27 o  527.730  227.192   0.3309   6.7956   0.3309   6.7956   0.0000   0.0000  527.730  227.192  ?   ?  0.000000 227.1917 
1 1 1   10   21   29 o  607.225  213.734   5.7813   5.0455   5.7813   5.0455   0.0000   0.0000  607.225  213.734  ?   ?  0.000000 213.7336 
1 1 1   10   21   31 o  374.147  171.952  -2.7361   4.6123  -2.7361   4.6123   0.0000   0.0000  374.147  171.952  ?   ?  0.000000 171.9522 
1 1 1   10   21   33 o  806.583  213.036   11.904   5.4605   11.904   5.4605   0.0000   0.0000  806.583  213.036  ?   ?  0.000000 213.0360 
1 1 1   10   21   35 o  602.491  224.617   6.0334   5.6808   7.7424   7.0024   2.7433   9.7158  663.657  248.995  609.393  266.871 54.26392 364.9906 
1 1 1   10   21   37 f  1269.46  185.294   29.139   7.1484   32.177   8.8254   23.343   12.189  1295.24  225.814  973.201  332.750 322.0408 402.1373 
1 1 1   10   21   39 o  819.872  201.788   13.046   5.1453   9.5532   5.7263   27.688   11.724  686.028  228.056  1040.38  324.599 -354.3533 396.7043 
1 1 1   10   21   41 o  1202.94  254.081   31.843   9.2704   27.947   12.507   36.592   13.810  962.822  336.655  1093.91  353.650 -131.0901 488.2674 
1 1 1   10   22    0 o  918.369  162.200   13.757   4.4937   17.400   6.5476   10.513   6.1786  1025.18  211.004  800.289  232.651 224.8954 314.0847 
1 1 1   10   22    2 o  702.172  240.610   7.3457   6.3735   7.3457   6.3735   0.0000   0.0000  702.172  240.610  ?   ?  0.000000 240.6098 
1 1 1   10   22    4 f  757.990  185.001   9.5094   4.3523   8.8189   6.2725   10.151   6.0441  745.849  238.047  786.993  230.485 -41.14355 331.3452 
1 1 1   10   22    6 o  1341.28  204.260   29.383   8.3078   0.0000   0.0000   29.383   8.3078  ?   ?   1341.28  204.260 0.000000 204.2602 
1 1 1   10   22    8 o  675.905  244.895   6.2313   6.6742   0.0000   0.0000   6.2313   6.6742  ?   ?   675.905  244.895 0.000000 244.8949 
1 1 1   10   22   10 o  971.916  252.478   15.870   7.7529   0.0000   0.0000   15.870   7.7529  ?   ?   971.916  252.478 0.000000 252.4780 
1 1 1   10   22   12 o  914.988  190.317   13.854   5.2750   15.911   7.0451   11.229   7.9581  974.116  233.917  836.238  268.261 137.8785 355.9231 
1 1 1   10   22   14 o  389.268  167.445  -0.2364   3.6853  -2.3548   4.3078   5.5459   7.1171  375.686  170.156  667.339  250.898 -291.6529 303.1549 
1 1 1   10   22   16 o  911.323  159.522   13.577   4.3862   9.9974   5.1887   22.541   8.2107  775.391  208.976  1161.05  233.931 -385.6575 313.6798 
1 1 1   10   22   18 o  563.203  192.554   4.7103   4.0817   3.1815   4.7028   9.3789   8.2182  530.186  202.859  786.914  273.024 -256.7282 340.1380 
1 1 1   10   22   20 o  806.251  173.933   10.789   4.2621   14.576   5.1670   2.7284   7.5390  938.189  182.457  611.313  249.388 326.8766 309.0061 
1 1 1   10   22   22 o  562.602  234.155   1.6200   6.8251   1.6200   6.8251   0.0000   0.0000  562.602  234.155  ?   ?  0.000000 234.1551 
1 1 1   10   22   24 o  672.303  255.838   5.8333   7.4544   5.8333   7.4544   0.0000   0.0000  672.303  255.838  ?   ?  0.000000 255.8383 
1 1 1   10   22   26 o  940.420  210.379   15.202   6.0400   15.202   6.0400   0.0000   0.0000  940.420  210.379  ?   ?  0.000000 210.3789 
1 1 1   10   22   28 o  1310.60  134.733   27.999   5.4505   32.846   6.5752   17.351   9.7446  1413.80  150.857  968.726  294.853 445.0745 331.2036 
1 1 1   10   22   30 o  521.233  196.576   3.6955   4.3759   2.9649   5.1636   5.5572   8.2427  523.086  208.882  660.239  263.820 -137.1531 336.5009 
1 1 1   10   22   32 o  509.203  197.461   3.3295   4.4987   0.2011   5.2060   12.553   8.9392  454.640  197.279  818.363  284.702 -363.7227 346.3730 
1 1 1   10   22   34 o  821.964  224.512   12.618   5.9418   12.618   5.9418   0.0000   0.0000  821.964  224.512  ?   ?  0.000000 224.5125 
1 1 1   10   22   36 f  520.204  228.843   0.8837   7.2156  -0.4034   8.8930   3.3637   12.345  543.688  245.523  658.100  293.846 -114.4119 382.9194 
1 1 1   10   22   38 o  456.013  196.198   1.2509   5.0617   2.7218   5.5795  -5.5886   12.032  503.771  210.863  543.687  258.599 -39.91507 333.6719 
1 1 1   10   22   40 o  433.923  208.554  -6.6904   8.2755 -13.4381   10.998   2.1156   12.564  449.652  221.361  602.310  279.289 -152.6584 356.3749 
1 1 1   10   23    1 o  736.035  234.044   8.5645   6.0677   0.0000   0.0000   8.5645   6.0677  ?   ?   736.035  234.044 0.000000 234.0437 
1 1 1   10   23    3 o  1563.11  201.605   39.564   9.6375   0.0000   0.0000   39.564   9.6375  ?   ?   1563.11  201.605 0.000000 201.6051 
1 1 1   10   23    5 o  1142.75  236.881   21.704   8.1978   0.0000   0.0000   21.704   8.1978  ?   ?   1142.75  236.881 0.000000 236.8811 
1 1 1   10   23    7 o  983.313  176.732   15.810   5.2415   18.750   6.9961   12.048   7.9137  1064.16  217.307  861.995  266.317 202.1599 343.7250 
1 1 1   10   23    9 o  1135.02  137.913   20.646   4.8008   24.045   5.6662   11.997   9.0382  1223.59  151.098  872.131  286.351 351.4594 323.7706 
1 1 1   10   23   11 f  1058.52  182.765   18.317   5.8387   18.317   5.8387   0.0000   0.0000  1058.52  182.765  ?   ?  0.000000 182.7654 
1 1 1   10   23   13 o  789.684  181.134   10.316   4.3836   8.8705   5.1944   13.894   8.1709  735.943  213.138  915.471  267.951 -179.5285 342.3821 
1 1 1   10   23   15 o  591.519  198.440   5.2844   4.3343   8.1535   4.9371  -4.3584   9.0513  707.009  208.670  547.661  247.473 159.3483 323.7063 
1 1 1   10   23   17 o  786.734  212.433   10.298   5.3558   10.298   5.3558   0.0000   0.0000  786.734  212.433  ?   ?  0.000000 212.4328 
1 1 1   10   23   19 o  528.184  205.930   2.8812   4.9132   2.8812   4.9132   0.0000   0.0000  528.184  205.930  ?   ?  0.000000 205.9296 
1 1 1   10   23   21 o  852.429  211.408   12.267   5.6152   12.267   5.6152   0.0000   0.0000  852.429  211.408  ?   ?  0.000000 211.4075 
1 1 1   10   23   23 o  278.429  138.178 -10.8620   4.6059  -6.4074   6.7715 -14.6974   6.2833  426.393  200.109  324.745  161.202 101.6482 256.9624 
1 1 1   10   23   25 o  512.089  213.604   1.4118   5.6975  -5.7022   8.3076   7.7293   7.8287  491.906  227.745  721.107  264.625 -229.2008 349.1334 
1 1 1   10   23   27 o  531.739  233.959  -0.7537   7.5448   0.0000   0.0000  -0.7537   7.5448  ?   ?   531.739  233.959 0.000000 233.9587 
1 1 1   10   23   29 o  827.208  234.681   12.206   6.3599   5.2987   8.8800   19.480   9.1130  673.068  272.098  1024.08  277.348 -351.0176 388.5350 
1 1 1   10   23   31 o  502.699  214.354   1.0781   5.9451  -7.6171   8.4183   9.7295   8.3970  462.200  218.804  754.165  274.469 -291.9650 351.0105 
1 1 1   10   23   33 o  522.112  221.020   1.7884   6.2420   5.2794   7.6759  -5.0273   10.725  631.706  253.819  552.052  256.687 79.65430 360.9882 
1 1 1   10   23   35 o  741.369  310.093   8.5592   12.054   0.0000   0.0000   8.5592   12.054  ?   ?   741.369  310.093 0.000000 310.0929 
1 1 1   10   23   37 o  881.856  211.993   14.662   5.7815   18.555   6.4458  -1.3609   13.075  994.298  213.420  614.304  284.874 379.9935 355.9513 
1 1 1   10   24    0 o  1167.57  226.546   22.483   7.9837   0.0000   0.0000   22.483   7.9837  ?   ?   1167.57  226.546 0.000000 226.5464 
1 1 1   10   24    2 o  490.262  202.657   1.1165   5.0625   3.5747   7.2375  -1.2386   7.0839  627.191  248.289  524.247  228.772 102.9437 337.6155 
1 1 1   10   24    4 o  677.893  203.758   7.3883   4.6750   0.7570   5.9319   18.259   7.5950  517.540  217.070  1048.09  236.985 -530.5505 321.3742 
1 1 1   10   24    6 o  1783.16  115.430   50.260   6.4105   53.004   7.8340   44.700   11.152  1827.76  137.899  1659.65  220.025 168.1091 259.6672 
1 1 1   10   24    8 o  789.063  193.860   10.292   4.7553   7.3780   5.6111   17.718   8.9585  690.730  225.566  1029.32  273.349 -338.5898 354.4006 
1 1 1   10   24   10 o  831.586  192.901   11.438   4.9256   10.634   5.9606   13.169   8.7469  803.906  226.889  901.501  280.228 -97.59412 360.5636 
1 1 1   10   24   12 o  492.628  202.868   1.2700   5.0477   1.2700   5.0477   0.0000   0.0000  492.628  202.868  ?   ?  0.000000 202.8681 
1 1 1   10   24   14 o  864.076  212.836   12.435   5.7208   12.435   5.7208   0.0000   0.0000  864.076  212.836  ?   ?  0.000000 212.8360 
1 1 1   10   24   16 o  401.473  182.061  -2.7366   4.9495  -2.7366   4.9495   0.0000   0.0000  401.473  182.061  ?   ?  0.000000 182.0610 
1 1 1   10   24   18 o  1201.09  141.272   23.215   5.2116   26.535   6.3748   16.523   9.0496  1279.91  162.743  985.297  280.084 294.6152 323.9326 
1 1 1   10   24   20 o  644.185  201.358   6.7096   4.5091   9.3040   5.6432   2.1285   7.4990  748.578  223.610  595.293  246.408 153.2847 332.7436 
1 1 1   10   24   22 o  610.642  204.498   5.8196   4.6029   0.0006   5.7612   16.089   7.6534  487.026  209.424  964.488  251.000 -477.4613 326.8939 
1 1 1   10   24   24 o  445.660  192.326  -0.1420   4.8939   3.9428   6.0928  -7.5688   8.2155  587.472  229.246  467.581  219.751 119.8911 317.5596 
1 1 1   10   24   26 o  515.518  216.119   1.3495   5.8754   1.3495   5.8754   0.0000   0.0000  515.518  216.119  ?   ?  0.000000 216.1189 
1 1 1   10   24   28 o  506.152  214.817   0.9780   5.9210   6.5810   8.2599  -4.9442   8.4919  692.556  267.840  502.463  231.796 190.0934 354.2141 
1 1 1   10   24   30 o  789.507  251.589   11.092   7.0086   10.923   9.4447   11.300   10.456  799.823  291.087  817.276  304.721 -17.45288 421.4105 
1 1 1   10   24   32 o  974.987  331.963   19.083   12.131   0.0000   0.0000   19.083   12.131  ?   ?   974.987  331.963 0.000000 331.9626 
1 1 1   10   24   34 o  542.148  258.509  -9.8794   12.179   0.0000   0.0000  -9.8794   12.179  ?   ?   542.148  258.509 0.000000 258.5094 
1 1 1   10   24   36 o  550.311  219.157   4.0190   5.6699   2.2283   6.3011   11.636   12.996  525.163  222.174  792.312  325.810 -267.1490 394.3518 
1 1 1   10   25    1 o  1176.42  165.292   22.297   5.9208   23.559   7.4769   20.175   9.6956  1201.28  206.201  1098.88  280.748 102.3962 348.3365 
1 1 1   10   25    3 o  328.969  158.718  -7.6635   4.9086  -7.1078   6.0971  -8.6870   8.2750  393.731  186.339  467.977  220.132 -74.24582 288.4100 
1 1 1   10   25    5 o  1682.85  163.062   45.197   8.4846   62.764   12.177   28.618   11.829  1977.61  199.356  1305.61  296.154 672.0002 357.0011 
1 1 1   10   25    7 o  1126.14  212.033   20.847   7.2024   20.847   7.2024   0.0000   0.0000  1126.14  212.033  ?   ?  0.000000 212.0325 
1 1 1   10   25    9 o  554.720  222.886   2.3942   5.9189   2.3942   5.9189   0.0000   0.0000  554.720  222.886  ?   ?  0.000000 222.8857 
1 1 1   10   25   11 o  908.499  212.001   13.715   5.9207   13.715   5.9207   0.0000   0.0000  908.499  212.001  ?   ?  0.000000 212.0010 
1 1 1   10   25   13 o  700.987  208.052   7.9968   4.8970   11.315   5.7367  -0.9147   9.4012  824.714  218.611  609.782  264.853 214.9322 343.4206 
1 1 1   10   25   15 o  416.350  180.876  -0.6012   4.3866   9.8918   5.4265 -20.3863   7.4515  772.147  215.982  336.221  168.245 435.9256 273.7781 
1 1 1   10   25   17 o  1020.61  166.585   17.046   5.1400   15.775   6.4419   19.273   8.5271  968.884  217.651  1063.28  258.602 -94.39966 338.0048 
1 1 1   10   25   19 o  1182.88  182.655   23.013   6.5474   18.244   9.4230   27.464   9.1041  1027.32  283.616  1276.25  236.526 -248.9231 369.3003 
1 1 1   10   25   21 o  378.259  173.473  -3.0906   4.6603  -2.6344   5.9342  -3.8245   7.5277  445.807  201.011  492.252  223.727 -46.44492 300.7645 
1 1 1   10   25   23 o  511.685  202.466   2.5898   4.8104   5.9456   6.0034  -3.4295   8.0403  641.703  232.299  514.884  232.899 126.8182 328.9450 
1 1 1   10   25   25 o  908.764  196.504   14.052   5.4288   9.4516   6.6417   23.315   9.4235  752.829  245.387  1147.45  267.254 -394.6179 362.8216 
1 1 1   10   25   27 o  580.467  216.425   4.6255   5.2742   1.2468   6.3615   12.054   9.4330  529.678  223.613  842.263  292.491 -312.5850 368.1760 
1 1 1   10   25   29 f  774.400  251.859   10.399   6.9981   11.388   9.2492   9.0743   10.703  817.009  289.188  783.757  304.392 33.25189 419.8624 
1 1 1   10   25   31 o  816.727  223.900   11.890   5.8968   11.531   6.9294   12.833   11.228  801.898  249.446  854.143  316.302 -52.24438 402.8278 
1 1 1   10   25   33 o  583.778  247.569   2.4134   7.8543   11.827   10.008 -12.6812   12.673  811.128  298.965  538.986  258.795 272.1413 395.4173 
1 1 1   10   26    0 o  569.406  231.846   2.0942   6.5000  -7.7322   10.036   9.1948   8.5311  544.395  251.437  796.196  278.063 -251.8011 374.8860 
1 1 1   10   26    2 o  739.771  293.925   4.9793   10.177   4.9793   10.177   0.0000   0.0000  739.771  293.925  ?   ?  0.000000 293.9251 
1 1 1   10   26    4 o  807.001  251.085   10.423   7.0204   10.423   7.0204   0.0000   0.0000  807.001  251.085  ?   ?  0.000000 251.0849 
1 1 1   10   26    6 o  1115.60  215.240   20.509   7.2464   20.509   7.2464   0.0000   0.0000  1115.60  215.240  ?   ?  0.000000 215.2402 
1 1 1   10   26    8 o  592.795  220.503   4.3800   5.4685   2.0466   6.5310   9.8530   10.002  567.952  231.956  835.070  300.176 -267.1183 379.3538 
1 1 1   10   26   10 o  644.778  217.806   6.2538   5.2219   2.0550   6.2068   16.425   9.6605  555.859  226.469  992.472  291.599 -436.6128 369.2131 
1 1 1   10   26   12 o  778.516  205.476   10.066   5.0822   16.997   6.0666  -6.2426   9.3065  1014.04  198.166  532.410  244.527 481.6255 314.7434 
1 1 1   10   26   14 o  434.642  186.829  -0.2134   4.5821   0.5471   5.8020  -1.4740   7.4696  504.869  213.369  531.437  233.332 -26.56790 316.1803 
1 1 1   10   26   16 o  655.576  212.773   6.7784   4.9956   0.0697   6.3234   17.918   8.1482  514.567  220.282  1026.30  254.745 -511.7339 336.7771 
1 1 1   10   26   18 f  371.956  171.469  -3.4421   4.6348  -4.6573   5.8002  -1.2956   7.7087  409.613  189.875  540.588  237.201 -130.9749 303.8367 
1 1 1   10   26   20 o  917.290  196.868   14.125   5.4854   10.645   6.9167   20.023   9.0050  800.452  249.253  1075.63  268.268 -275.1801 366.1898 
1 1 1   10   26   22 o  448.799  194.644  -0.4230   5.0627   7.1447   6.2888 -14.3603   8.5344  684.316  238.753  416.774  203.010 267.5421 313.3949 
1 1 1   10   26   24 o  555.699  215.946   3.4956   5.3892  -2.9064   6.8287   14.067   8.7751  476.575  215.188  901.743  280.740 -425.1676 353.7241 
1 1 1   10   26   26 o  469.697  201.096   0.2586   5.2709  -0.7028   6.5013   2.1025   9.0037  499.063  218.435  630.027  266.005 -130.9642 344.1985 
1 1 1   10   26   28 o  477.371  205.943   0.0731   5.6076  -0.4767   6.7785   1.2653   9.9812  510.935  223.353  637.954  274.990 -127.0192 354.2679 
1 1 1   10   26   30 o  534.865  233.109  -0.0111   7.3342   2.6171   9.1652  -4.6904   12.230  633.323  267.942  613.883  281.342 19.44006 388.5183 
1 1 1   10   27    1 o  846.015  252.155   11.671   7.1819   11.671   7.1819   0.0000   0.0000  846.015  252.155  ?   ?  0.000000 252.1551 
1 1 1   10   27    3 o  436.946  201.857  -5.0967   6.4737   2.9160   9.1412 -13.1590   9.1694  670.256  274.157  456.914  219.585 213.3415 351.2545 
1 1 1   10   27    5 o  1002.57  232.289   16.749   7.1494   8.0304   9.9047   26.232   10.330  792.965  296.402  1250.70  271.562 -457.7324 401.9951 
1 1 1   10   27    7 o  968.377  239.459   15.676   7.2202   15.649   9.9175   15.706   10.532  974.422  297.650  980.219  307.955 -5.796814 428.2899 
1 1 1   10   27    9 o  1136.01  174.219   20.980   5.9994   23.552   7.3397   15.800   10.414  1198.02  202.901  980.039  305.957 217.9845 367.1223 
1 1 1   10   27   11 o  515.977  207.259   2.1079   5.1165   5.4463   6.3565  -4.0349   8.6226  645.692  238.217  536.357  242.028 109.3346 339.5952 
1 1 1   10   27   13 o  415.875  186.644  -2.2085   5.0488  -2.1426   6.3006  -2.3266   8.4392  473.631  210.818  553.669  245.333 -80.03741 323.4695 
1 1 1   10   27   15 o  502.857  204.917   1.7007   5.0830   3.9841   6.2152  -2.9110   8.8328  600.855  232.347  557.846  248.859 43.00867 340.4643 
1 1 1   10   27   17 o  482.336  210.280  -0.8306   5.9720 -11.6796   8.9494   7.8788   8.0185  458.486  219.434  742.612  268.525 -284.1261 346.7808 
1 1 1   10   27   19 o  400.220  183.183  -3.3186   5.1614  -4.1811   6.5988  -1.9593   8.2841  451.577  206.849  550.169  243.460 -98.59183 319.4674 
1 1 1   10   27   21 o  487.512  214.350  -1.2174   6.3234   8.5630   9.3222  -9.5529   8.6061  777.959  288.191  464.546  220.297 313.4138 362.7458 
1 1 1   10   27   23 o  780.356  221.579   10.304   5.6671   6.7319   6.9906   17.151   9.6790  686.078  250.318  990.750  292.101 -304.6716 384.6842 
1 1 1   10   27   25 o  476.233  206.893  -0.4231   5.7394  -4.1792   6.8417   8.4982   10.544  458.121  210.132  789.897  303.391 -331.7756 369.0544 
1 1 1   10   27   27 o  633.003  251.360   4.3923   7.4387   4.8989   9.6315   3.6435   11.710  696.309  282.717  721.830  303.988 -25.52026 415.1363 
1 1 1   10   27   29 o  998.944  258.685   17.858   8.1556   18.056   10.283   17.522   13.390  992.466  303.072  983.708  347.976 8.758179 461.4541 
1 1 1   10   28    0 o  945.904  216.273   14.851   6.2662   24.109   7.5046  -6.4681   11.388  1213.95  204.709  602.729  274.414 611.2244 342.3580 
1 1 1   10   28    2 o  680.703  234.154   6.8280   6.0385  -1.8129   7.3533   24.722   10.582  524.090  230.773  1211.52  283.901 -687.4260 365.8631 
1 1 1   10   28    4 o  587.754  232.546   3.1627   6.3455  -0.3791   7.7282   10.491   11.117  562.666  242.255  868.469  315.844 -305.8029 398.0515 
1 1 1   10   28    6 f  558.979  235.165   0.8531   6.9964   2.7937   9.6753  -1.2738   10.129  682.097  280.877  629.111  274.074 52.98541 392.4386 
1 1 1   10   28    8 o  1072.86  228.025   19.165   7.4241   26.605   10.682   12.211   10.326  1255.73  278.914  892.686  306.249 363.0397 414.2240 
1 1 1   10   28   10 f  699.901  272.153   5.3004   8.5638   0.0000   0.0000   5.3004   8.5638  ?   ?   699.901  272.153 0.000000 272.1529 
1 1 1   10   28   12 o  701.228  244.369   7.2324   6.5871   9.8833   9.9413   5.1576   8.7949  830.271  299.177  701.673  274.980 128.5980 406.3510 
1 1 1   10   28   14 o  722.052  229.820   8.3296   5.8495   7.8648   7.2919   9.1688   9.7972  731.445  256.985  810.014  296.215 -78.56860 392.1539 
1 1 1   10   28   16 o  869.202  218.601   12.682   5.9439   14.160   7.3943   9.9830   9.9924  916.193  250.539  829.716  299.799 86.47675 390.7040 
1 1 1   10   28   18 o  411.410  187.631  -3.2358   5.3528  -3.5734   6.7093  -2.6445   8.8787  466.193  211.626  562.021  250.202 -95.82782 327.6990 
1 1 1   10   28   20 o  607.013  226.269   4.7674   5.7642   4.1619   7.2944   5.7743   9.4062  633.976  249.805  722.810  284.033 -88.83459 378.2556 
1 1 1   10   28   22 o  776.739  259.103   9.6859   7.3892   20.921   10.767  -0.3159   10.159  1092.05  303.799  633.672  275.276 458.3828 409.9640 
1 1 1   10   28   24 o  786.916  265.343   9.9998   7.7499   8.1093   10.541   12.224   11.433  786.895  303.065  885.171  320.551 -98.27618 441.1365 
1 1 1   10   28   26 o  607.138  236.563   4.2527   6.4805   6.3221   7.5762  -1.3897   12.510  684.746  258.557  676.026  299.168 8.719849 395.4151 
1 1 1   10   29    1 o  534.861  224.943   0.7344   6.3979   4.8926   8.0325  -6.4815   10.581  679.384  263.743  576.147  263.166 103.2371 372.5813 
1 1 1   10   29    3 o  462.759  209.720  -3.5862   6.5554  -7.4623   8.0189   4.2231   11.382  470.944  219.965  754.444  306.951 -283.4997 377.6289 
1 1 1   10   29    5 o  1079.61  205.417   19.193   6.6905   15.914   8.4456   24.717   10.963  976.276  268.086  1209.40  292.658 -233.1208 396.8865 
1 1 1   10   29    7 o  487.597  213.288  -1.1976   6.1902   4.5858   7.7744 -11.2152   10.232  664.299  259.030  512.692  242.258 151.6067 354.6625 
1 1 1   10   29    9 o  1157.64  220.970   22.172   7.7176   10.942   11.838   30.474   10.178  888.291  325.493  1354.29  249.192 -465.9955 409.9294 
1 1 1   10   29   11 o  635.765  233.624   5.3007   6.1049   2.1689   7.7933   10.274   9.8214  611.841  252.032  839.011  297.890 -227.1703 390.2031 
1 1 1   10   29   13 o  857.930  252.764   12.176   7.2498   10.118   11.055   13.729   9.6030  855.019  314.359  919.362  294.657 -64.34271 430.8648 
1 1 1   10   29   15 o  376.541  183.232 -11.9353   6.9038 -19.8064   10.126  -5.0980   9.4375  437.275  214.696  550.499  250.318 -113.2247 329.7779 
1 1 1   10   29   17 o  462.326  212.482  -4.8518   7.0432  -0.5250   10.821  -8.0318   9.2772  656.563  284.662  508.909  237.327 147.6536 370.6165 
1 1 1   10   29   19 o  744.219  262.305   8.2226   7.6017   17.724   11.410   0.6391   10.194  1022.91  320.395  654.071  279.835 368.8373 425.3942 
1 1 1   10   29   21 o  811.312  239.676   11.004   6.5107   7.6883   7.9152   17.940   11.449  734.193  266.588  1024.16  320.968 -289.9687 417.2409 
1 1 1   10   30    0 o  791.579  287.539   8.5369   9.2095   8.5369   9.2095   0.0000   0.0000  791.579  287.539  ?   ?  0.000000 287.5388 
1 1 1   10   30    2 o  746.664  254.776   8.3306   7.1457   6.7811   9.0642   10.875   11.615  748.160  282.735  887.088  322.809 -138.9281 429.1204 
1 1 1   10   30    4 o  676.766  246.322   6.1120   6.7633   10.892   9.2287   0.5669   9.9403  848.271  289.537  653.256  277.829 195.0154 401.2737 
1 1 1   10   30    6 o  525.715  222.309   0.4741   6.3043   6.9726   8.4227  -7.8047   9.5066  737.171  273.765  523.307  242.757 213.8639 365.8938 
1 1 1   10   30    8 o  588.177  233.081   3.1256   6.3840  -2.7848   8.6206   10.303   9.5000  556.086  247.104  837.024  293.367 -280.9382 383.5685 
1 1 1   10   30   10 o  505.763  225.170  -2.5122   7.1921   6.5550   10.985  -9.3152   9.5150  785.659  307.475  506.388  237.509 279.2711 388.5246 
1 1 1   10   30   12 o  896.399  267.651   13.248   8.0864   3.2103   12.027   21.529   10.924  751.612  311.661  1126.47  303.066 -374.8542 434.7201 
1 1 1   10   30   14 o  457.732  212.815  -6.3042   7.3702 -10.2503   11.813  -3.7892   9.4308  573.399  267.537  568.666  255.163 4.733582 369.7082 
1 1 1   10   30   16 o  439.637  207.944  -8.4722   7.5727 -14.6911   11.211  -3.2531   10.270  512.638  245.415  602.942  268.706 -90.30328 363.9115 
1 1 1   10   30   18 o  1034.45  258.898   18.155   8.3661   9.8578   12.175   25.579   11.516  865.651  327.546  1218.67  303.051 -353.0158 446.2361 
1 1 1   10   31    1 o  753.398  282.603   7.0172   9.0194   7.0172   9.0194   0.0000   0.0000  753.398  282.603  ?   ?  0.000000 282.6031 
1 1 1   10   31    3 o  433.678  200.882  -5.3593   6.4746  -9.8483   9.0254  -0.5999   9.2933  484.050  228.359  614.568  265.126 -130.5180 349.9137 
1 1 1   10   31    5 o  377.569  184.983 -14.3475   7.3913  -8.8655   12.019 -17.6815   9.3732  597.398  275.652  428.071  209.424 169.3271 346.1832 
1 1 1   10   31    7 o  542.482  239.729  -2.2426   8.0051   1.6111   12.060  -5.2775   10.703  731.072  308.223  595.096  268.988 135.9759 409.0915 
1 1 1   10   31    9 o  623.003  256.011   2.2696   8.0173   6.9452   11.676  -1.9013   11.028  810.204  317.023  649.360  284.348 160.8436 425.8609 
1 1 1   10   31   11 f  593.259  236.838   2.9973   6.6365   2.8252   8.6480   3.2439   10.351  653.000  266.828  709.592  291.158 -56.59222 394.9307 
1 1 1   10   32    0 o  840.076  278.589   10.870   8.5470   2.1679   14.088   15.938   10.752  794.190  333.888  993.438  310.996 -199.2485 456.2893 
1 1 1   11    0    1 o  4123.11  222.745  271.319   28.566  271.319   28.566  271.319   28.566  4123.11  222.745  4123.11  222.745 -0.000000 0.000000 
1 1 1   11    0    3 o  171.880  104.736   0.4042   1.0611   0.4042   1.0611   0.4042   1.0611  171.880  104.736  171.880  104.736 -0.000000 0.000000 
1 1 1   11    0    5 o  3048.81  184.090  148.431   17.428  148.431   17.428  148.431   17.428  3048.81  184.090  3048.81  184.090 -0.000000 0.000000 
1 1 1   11    0    7 o  1717.20  147.106   47.467   7.7763   47.467   7.7763   47.467   7.7763  1717.20  147.106  1717.20  147.106 -0.000000 0.000000 
1 1 1   11    0    9 o  1602.23  144.841   41.428   7.1301   41.428   7.1301   41.428   7.1301  1602.23  144.841  1602.23  144.841 -0.000000 0.000000 
1 1 1   11    0   11 o  211.059  123.562   0.8219   1.3674   0.8219   1.3674   0.8219   1.3674  211.059  123.562  211.059  123.562 -0.000000 0.000000 
1 1 1   11    0   13 o  384.868  166.341   3.3357   2.0644   3.3357   2.0644   3.3357   2.0644  384.868  166.341  384.868  166.341 -0.000000 0.000000 
1 1 1   11    0   15 o  275.750  145.414   1.7358   1.6727   1.7358   1.6727   1.7358   1.6727  275.750  145.414  275.750  145.414 -0.000000 0.000000 
1 1 1   11    0   21 o  424.933  136.805   3.6152   1.6070   3.6152   1.6070   3.6152   1.6070  424.933  136.805  424.933  136.805 -0.000000 0.000000 
1 1 1   11    0   23 o  1332.39   98.520   28.464   4.0586   28.464   4.0586   28.464   4.0586  1332.39   98.520  1332.39   98.520 -0.000000 0.000000 
1 1 1   11    0   25 o  654.224  179.641   8.1890   3.1820   8.1890   3.1820   8.1890   3.1820  654.224  179.641  654.224  179.641 -0.000000 0.000000 
1 1 1   11    0   27 o   86.043   62.020  -1.5168   0.8390  -1.5168   0.8390  -1.5168   0.8390   86.043   62.020   86.043   62.020 -0.000000 0.000000 
1 1 1   11    0   29 o  1948.03  109.068   60.739   6.6052   60.739   6.6052   60.739   6.6052  1948.03  109.068  1948.03  109.068 -0.000000 0.000000 
1 1 1   11    0   31 o  1266.96  103.996   25.916   4.0617   25.916   4.0617   25.916   4.0617  1266.96  103.996  1266.96  103.996 -0.000000 0.000000 
1 1 1   11    0   33 o  1755.34  155.133   50.399   8.3736   50.399   8.3736   50.399   8.3736  1755.34  155.133  1755.34  155.133 -0.000000 0.000000 
1 1 1   11    0   35 o  364.691  166.365   3.0850   2.0644   3.0850   2.0644   3.0850   2.0644  364.691  166.365  364.691  166.365 -0.000000 0.000000 
1 1 1   11    0   37 o  567.043  166.121   6.2631   2.5621   6.2631   2.5621   6.2631   2.5621  567.043  166.121  567.043  166.121 -0.000000 0.000000 
1 1 1   11    0   39 o  181.464  122.091  -0.8084   1.9815  -0.8084   1.9815  -0.8084   1.9815  181.464  122.091  181.464  122.091 -0.000000 0.000000 
1 1 1   11    0   41 o  1553.89  160.458   39.835   7.6166   39.835   7.6166   39.835   7.6166  1553.89  160.458  1553.89  160.458 -0.000000 0.000000 
1 1 1   11    0   43 o  1292.73  170.941   28.179   6.5824   28.179   6.5824   28.179   6.5824  1292.73  170.941  1292.73  170.941 -0.000000 0.000000 
1 1 1   11    0   45 o  189.938  134.718  -4.2637   3.3671  -4.2637   3.3671  -4.2637   3.3671  189.938  134.718  189.938  134.718 -0.000000 0.000000 
1 1 1   11    0   49 o  327.904  215.631  -0.1170   5.6093  -0.1170   5.6093  -0.1170   5.6093  327.904  215.631  327.904  215.631 -0.000000 0.000000 
1 1 1   11    0   53 o  452.109  284.617   4.1401   8.4881   4.1401   8.4881   4.1401   8.4881  452.109  284.617  452.109  284.617 -0.000000 0.000000 
1 1 1   11    0   55 o  895.694  252.457   16.782   6.1304   16.782   6.1304   16.782   6.1304  895.694  252.457  895.694  252.457 -0.000000 0.000000 
1 1 1   11    1    0 o  4580.06  136.155  330.982   19.526  336.345   23.921  320.272   33.804  4608.43  165.770  4461.73  242.876 146.6958 294.0551 
1 1 1   11    1    2 o  3928.51  121.529  243.285   14.949  237.518   18.310  254.813   25.890  3874.51  150.926  3989.27  207.981 -114.7600 256.9723 
1 1 1   11    1    4 o  7382.33  203.875  871.889   47.127  864.360   57.722  886.942   81.620  7309.05  252.209  7285.54  357.781 23.51611 437.7401 
1 1 1   11    1    6 o  3761.81  118.734  223.434   13.986  224.879   17.131  220.547   24.218  3766.09  145.272  3699.03  209.954 67.06421 255.3133 
1 1 1   11    1    8 o  1772.34   82.791   49.404   4.5946   45.666   5.6237   56.907   7.9681  1698.24  106.292  1890.30  135.518 -192.0667 172.2300 
1 1 1   11    1   10 o  1066.31   76.966   17.968   2.5525   19.614   3.1287   14.693   4.4141  1112.41   90.609  949.301  153.757 163.1097 178.4695 
1 1 1   11    1   12 f  1076.57   77.341   18.324   2.5898   17.218   3.1689   20.547   4.4940  1040.20   98.464  1131.14  129.200 -90.94604 162.4433 
1 1 1   11    1   14 o  2608.97   96.479  107.481   7.8817  106.923   9.6534  108.598   13.651  2596.51  118.733  2594.75  168.931 1.759521 206.4834 
1 1 1   11    1   16 o  1459.16  141.429   34.405   6.3808   0.0000   0.0000   34.405   6.3808  ?   ?   1459.16  141.429 0.000000 141.4293 
1 1 1   11    1   18 o  562.046  105.560   5.1883   1.7895   5.1883   1.7895   0.0000   0.0000  562.046  105.560  ?   ?  0.000000 105.5595 
1 1 1   11    1   20 o  1893.94  106.180   57.602   6.2715   57.602   6.2715   0.0000   0.0000  1893.94  106.180  ?   ?  0.000000 106.1797 
1 1 1   11    1   22 o  668.985  101.644   7.3290   2.0622   6.5421   2.8634   8.1769   2.9724  618.443  149.515  695.048  141.388 -76.60486 205.7799 
1 1 1   11    1   24 o  701.974  101.002   8.0741   2.1562   6.0409   2.9951   10.261   3.1065  590.980  158.562  782.356  131.471 -191.3758 205.9767 
1 1 1   11    1   26 o  793.578  152.104   10.870   3.6421   10.870   3.6421   0.0000   0.0000  793.578  152.104  ?   ?  0.000000 152.1042 
1 1 1   11    1   28 o  839.552  100.495   11.618   2.5894   14.441   3.7988   9.1686   3.5388  919.573  136.034  717.218  161.468 202.3550 211.1332 
1 1 1   11    1   30 o  962.744   83.656   15.069   2.4968   13.671   4.3614   15.751   3.0452  872.049  165.781  976.345  101.073 -104.2963 194.1626 
1 1 1   11    1   32 o  1446.97   85.348   33.949   3.8498   34.307   6.6804   33.771   4.7108  1401.57  154.803  1430.01  105.959 -28.43774 187.5929 
1 1 1   11    1   34 o  661.919  129.883   7.5715   2.5959   7.5715   2.5959   0.0000   0.0000  661.919  129.883  ?   ?  0.000000 129.8835 
1 1 1   11    1   36 o  1250.91   84.718   25.442   3.2988   26.458   4.0984   23.574   5.5588  1263.73  104.510  1153.27  158.096 110.4634 189.5168 
1 1 1   11    1   38 f  904.944  115.177   13.928   3.1897   15.740   4.5936   12.241   4.4325  927.602  164.158  803.224  180.621 124.3780 244.0736 
1 1 1   11    1   40 f  1728.83  168.579   55.386   9.0097   55.386   9.0097   0.0000   0.0000  1728.83  168.579  ?   ?  0.000000 168.5785 
1 1 1   11    1   42 o  738.136  147.491   10.088   3.2897   0.0000   0.0000   10.088   3.2897  ?   ?   738.136  147.491 0.000000 147.4908 
1 1 1   11    1   44 o  782.000  130.973   11.302   3.0936   12.659   5.5279   10.683   3.7330  716.695  222.772  724.400  167.858 -7.704224 278.9332 
1 1 1   11    1   46 o  687.924  129.295   9.3206   2.6828   12.383   3.8107   6.3106   3.7778  744.255  167.554  497.352  183.615 246.9034 248.5733 
1 1 1   11    1   48 o  572.419  236.150   17.073   6.8549   0.0000   0.0000   17.073   6.8549  ?   ?   572.419  236.150 0.000000 236.1499 
1 1 1   11    1   50 o  1046.68  178.668   31.851   5.6455   0.0000   0.0000   31.851   5.6455  ?   ?   1046.68  178.668 0.000000 178.6678 
1 1 1   11    1   52 o  743.552  217.093   25.521   5.3695   25.719   7.8019   25.343   7.4012  443.296  210.083  463.879  214.837 -20.58228 300.4828 
1 1 1   11    1   54 o  267.342  134.258   3.4883   4.9557   0.0000   0.0000   3.4883   4.9557  ?   ?   267.342  134.258 0.000000 134.2584 
1 1 1   11    2    1 o  2477.36   93.830   96.475   7.2786   95.942   8.9180   97.539   12.597  2467.96  115.401  2475.69  163.421 -7.726074 200.0597 
1 1 1   11    2    3 o  941.609   76.229   14.013   2.2283   14.762   2.7370   12.540   3.8373  964.661   91.715  879.162  144.410 85.49915 171.0722 
1 1 1   11    2    5 o  6210.31  175.001  614.495   34.031  595.748   41.680  651.984   58.939  6085.20  218.746  6292.84  299.117 -207.6406 370.5679 
1 1 1   11    2    7 o  3191.74  106.634  160.659   10.657  163.395   13.056  155.197   18.448  3213.19  129.766  3106.96  190.546 106.2314 230.5363 
1 1 1   11    2    9 o  1391.53   78.714   30.541   3.4157   28.565   4.1837   34.491   5.9150  1342.45  100.251  1470.26  129.816 -127.8093 164.0202 
1 1 1   11    2   11 o  1885.18  103.994   56.255   6.1149   56.255   6.1149   0.0000   0.0000  1885.18  103.994  ?   ?  0.000000 103.9936 
1 1 1   11    2   13 o  1600.88   81.263   40.452   4.0602   40.719   4.9790   39.922   7.0146  1602.92   99.695  1576.86  143.642 26.05359 174.8484 
1 1 1   11    2   15 o  1855.36   84.140   54.291   4.8882   56.863   5.9940   49.184   8.4463  1893.03  101.491  1743.94  156.334 149.0894 186.3883 
1 1 1   11    2   17 o  1881.15  104.576   56.402   6.1355   56.402   6.1355   0.0000   0.0000  1881.15  104.576  ?   ?  0.000000 104.5758 
1 1 1   11    2   19 o  2375.15  113.825   90.391   8.4654   90.391   8.4654   0.0000   0.0000  2375.15  113.825  ?   ?  0.000000 113.8249 
1 1 1   11    2   21 o  1554.17  100.367   38.814   4.8583   38.814   4.8583   0.0000   0.0000  1554.17  100.367  ?   ?  0.000000 100.3668 
1 1 1   11    2   23 o  843.580   99.351   11.562   2.5740   11.885   3.5570   11.208   3.7295  841.175  139.963  811.492  152.370 29.68298 206.8974 
1 1 1   11    2   25 o  449.964  114.729   3.4144   1.6214   3.4144   1.6214   0.0000   0.0000  449.964  114.729  ?   ?  0.000000 114.7293 
1 1 1   11    2   27 o  2017.93  109.982   66.671   6.9232   66.671   6.9232   0.0000   0.0000  2017.93  109.982  ?   ?  0.000000 109.9822 
1 1 1   11    2   29 o  1183.00  156.352   24.474   5.6498   24.474   5.6498   0.0000   0.0000  1183.00  156.352  ?   ?  0.000000 156.3521 
1 1 1   11    2   31 o  282.565  122.437  -0.0349   1.9995  -0.0349   1.9995   0.0000   0.0000  282.565  122.437  ?   ?  0.000000 122.4366 
1 1 1   11    2   35 o  934.800   91.481   14.313   2.6434   13.849   3.2192   15.274   4.6317  907.580  115.926  922.588  166.453 -15.00836 202.8437 
1 1 1   11    2   37 o  1932.56  115.678   62.654   6.9679   68.473   9.7200   56.503   9.9939  1963.26  159.494  1747.19  185.513 216.0764 244.6492 
1 1 1   11    2   39 o  2027.03   93.563   67.636   5.9386   67.580   7.2407   67.750   10.380  1997.24  116.283  1910.84  175.441 86.40332 210.4782 
1 1 1   11    2   41 o  553.764  126.196   5.4776   2.1394   4.2602   3.5951   6.1451   2.6622  486.502  179.205  576.134  147.068 -89.63214 231.8260 
1 1 1   11    2   43 o  1315.90   84.023   28.772   3.4440   27.915   4.8493   29.645   4.8921  1253.32  125.244  1295.61  122.026 -42.28589 174.8605 
1 1 1   11    2   45 o  1044.70  113.295   19.807   3.6467   18.969   6.3221   20.225   4.4643  840.822  232.382  1014.87  144.571 -174.0526 273.6825 
1 1 1   11    2   47 o  525.604  225.317   11.931   6.6321   0.0000   0.0000   11.931   6.6321  ?   ?   525.604  225.317 0.000000 225.3168 
1 1 1   11    2   49 o  645.058  173.518   11.699   3.5813   0.6808   6.3960   16.732   4.3224  331.375  164.171  763.670  183.126 -432.2955 245.9415 
1 1 1   11    2   51 o  373.355  175.252   8.2040   5.1979   0.0000   0.0000   8.2040   5.1979  ?   ?   373.355  175.252 0.000000 175.2517 
1 1 1   11    2   53 o  579.080  186.513   14.768   3.8440   17.068   5.6601   12.799   5.2369  421.001  192.368  380.809  177.830 40.19183 261.9713 
1 1 1   11    2   55 o  469.940  198.580   21.736   5.0245   12.888   8.7028   26.160   6.1537  ?   ?   411.263  192.290 0.000000 192.2900 
1 1 1   11    3    0 o  3830.61  104.324  230.897   12.513  219.029   17.693  242.775   17.700  3720.39  151.876  3918.92  144.242 -198.5273 209.4571 
1 1 1   11    3    2 o  3636.39  116.601  208.458   13.277  203.821   16.265  217.720   22.984  3589.06  144.726  3686.79  199.842 -97.72925 246.7440 
1 1 1   11    3    4 o  5146.48  149.168  419.890   24.038  428.819   29.448  402.058   41.616  5185.53  181.360  4960.80  268.917 224.7344 324.3570 
1 1 1   11    3    6 o  1652.76   81.591   42.944   4.2225   41.028   5.1730   46.769   7.3093  1610.25  103.139  1712.99  137.428 -102.7411 171.8256 
1 1 1   11    3    8 o  1273.36   78.292   25.584   3.1065   25.651   3.8116   25.452   5.3615  1272.49   96.375  1259.81  138.182 12.68433 168.4706 
1 1 1   11    3   10 o  1211.87   78.248   23.188   2.9534   21.836   3.6229   25.868   5.0991  1172.69   99.607  1271.37  129.913 -98.67798 163.7034 
1 1 1   11    3   12 o  1902.04   84.883   56.968   5.0554   55.510   8.7448   57.700   6.1957  1860.10  151.454  1908.70  104.058 -48.59949 183.7565 
1 1 1   11    3   14 o  670.548   77.391   7.1724   1.5951   7.4507   1.9485   6.6069   2.7773  680.738   93.914  631.236  143.731 49.50281 171.6927 
1 1 1   11    3   16 o  968.316   96.629   14.992   2.8907   14.992   2.8907   0.0000   0.0000  968.316   96.629  ?   ?  0.000000 96.62872 
1 1 1   11    3   18 o  1711.30  102.407   46.795   5.4623   47.724   7.7213   45.865   7.7284  1710.96  145.504  1675.56  148.853 35.39807 208.1553 
1 1 1   11    3   20 o  1609.70   82.428   41.237   4.1407   40.882   5.0685   41.950   7.1802  1595.91  101.959  1596.93  145.178 -1.016235 177.4046 
1 1 1   11    3   22 o  1030.49   78.708   16.962   2.5205   16.047   3.0848   18.801   4.3719  995.981  100.277  1066.25  133.898 -70.26819 167.2846 
1 1 1   11    3   24 o  2511.89  115.885  102.354   9.1147  114.144   12.952   90.784   12.830  2608.60  159.324  2305.36  179.136 303.2410 239.7375 
1 1 1   11    3   26 o  1061.22  104.105   18.401   3.4148   15.462   5.0031   20.964   4.6724  936.112  177.172  1117.49  136.358 -181.3807 223.5697 
1 1 1   11    3   28 o  1028.29   80.451   17.074   2.5698   17.308   4.4907   16.961   3.1335  1001.13  147.690  1016.69   99.713 -15.55579 178.1995 
1 1 1   11    3   30 o  1557.14  103.803   39.892   5.0322   0.0000   0.0000   39.892   5.0322  ?   ?   1557.14  103.803 0.000000 103.8029 
1 1 1   11    3   32 f  281.626  106.258   0.9991   1.2790  -0.8174   2.2152   1.9073   1.5664  273.586  123.136  349.043  119.284 -75.45694 171.4385 
1 1 1   11    3   34 o  2263.43  118.943   85.216   8.4004   88.226   11.768   82.089   11.995  2237.58  169.210  2141.80  180.543 95.77930 247.4426 
1 1 1   11    3   36 f  1976.47  116.256   65.229   7.1632   73.885   10.019   56.176   10.245  2052.47  157.085  1745.82  190.512 306.6459 246.9224 
1 1 1   11    3   38 o  779.943  128.533   10.573   3.0297   9.3287   3.9977   12.253   4.6436  699.212  181.136  798.256  188.749 -99.04346 261.6034 
1 1 1   11    3   40 o  1601.74  113.975   43.537   5.6790   47.618   7.8298   39.008   8.2493  1622.53  156.038  1424.35  189.677 198.1771 245.6122 
1 1 1   11    3   42 o  1480.69   94.200   36.632   4.3448   34.125   5.1272   43.018   8.1830  1404.61  117.659  1491.48  178.780 -86.86560 214.0230 
1 1 1   11    3   44 o  1182.56  109.797   24.595   4.0192   27.665   4.7290   16.608   7.6276  1236.76  123.777  745.385  262.748 491.3759 290.4432 
1 1 1   11    3   46 o  1156.69  107.168   24.592   3.8374   28.905   7.0307   22.762   4.5797  1030.40  224.277  1057.61  141.869 -27.20789 265.3811 
1 1 1   11    3   48 o  771.505  126.169   12.459   2.9426   6.0860   4.3600   17.791   3.9878  427.278  182.914  880.208  150.068 -452.9298 236.5966 
1 1 1   11    3   50 o  1167.96  136.103   32.230   4.8842   28.255   8.7947   34.003   5.8732  525.094  239.876  1078.36  180.302 -553.2671 300.0820 
1 1 1   11    3   52 o  436.764  195.982   15.066   5.5638   15.066   5.5638   0.0000   0.0000  436.764  195.982  ?   ?  0.000000 195.9819 
1 1 1   11    3   54 o  286.324  139.307   4.6419   3.9862  -5.0470   8.4862   7.3849   4.5153  ?   ?   308.805  149.786 0.000000 149.7855 
1 1 1   11    4    1 o  1273.75   67.732   25.534   2.6917   24.459   3.8069   26.609   3.8065  1242.90   98.627  1297.28   94.354 -54.37976 136.4921 
1 1 1   11    4    3 o  588.135   80.777   5.5363   1.4483   5.2130   1.7631   6.2070   2.5396  566.662  103.168  614.667  135.590 -48.00519 170.3766 
1 1 1   11    4    5 o  3230.61  107.991  164.567   10.924  158.174   13.383  177.333   18.910  3160.88  135.217  3327.22  182.204 -166.3367 226.8962 
1 1 1   11    4    7 o  972.931   94.185   15.042   2.8334   16.445   4.0054   13.637   4.0087  1011.46  129.438  916.456  144.479 95.00128 193.9806 
1 1 1   11    4    9 o  3472.52  138.928  191.297   15.106  191.297   15.106   0.0000   0.0000  3472.52  138.928  ?   ?  0.000000 138.9279 
1 1 1   11    4   11 o  1222.36   95.812   23.699   3.6378   24.842   5.1457   22.557   5.1437  1244.18  134.207  1183.23  141.647 60.95471 195.1291 
1 1 1   11    4   13 o  1948.30  105.743   60.197   6.4268   58.695   9.0856   61.701   9.0921  1910.47  153.167  1960.35  149.242 -49.87622 213.8528 
1 1 1   11    4   15 o  2263.82  111.791   81.378   7.9244   79.222   11.215   83.528   11.198  2210.71  163.173  2272.51  158.361 -61.80322 227.3838 
1 1 1   11    4   17 o  1402.71   79.784   31.196   3.4898   29.103   4.2708   35.402   6.0539  1349.31  101.834  1479.12  132.102 -129.8120 166.7964 
1 1 1   11    4   19 o  629.128   83.941   6.3856   1.6123   6.5866   1.9927   6.0045   2.7438  634.405  103.912  595.715  147.800 38.68958 180.6727 
1 1 1   11    4   21 o  1128.21   96.248   20.476   3.3676   22.515   4.7598   18.432   4.7653  1170.15  132.227  1050.59  149.034 119.5610 199.2358 
1 1 1   11    4   23 o  380.582   94.085   2.4075   1.1148   2.2541   1.9030   2.4877   1.3756  384.392  131.478  387.386  108.880 -2.994141 170.7084 
1 1 1   11    4   25 o  564.321   89.572   5.2191   1.5299   7.4488   2.5758   4.0039   1.9016  663.912  128.551  485.702  124.467 178.2098 178.9344 
1 1 1   11    4   27 o  1641.73   72.280   42.996   3.7157   45.738   5.2830   40.311   5.2270  1675.74  101.156  1569.23  107.016 106.5129 147.2580 
1 1 1   11    4   29 o  1099.90   80.676   19.547   2.7591   21.975   4.7931   18.344   3.3743  1134.62  137.735  1054.88  103.489 79.74158 172.2813 
1 1 1   11    4   31 o  631.856   93.621   6.6015   1.7962   7.6706   2.9856   5.9950   2.2488  659.319  148.220  589.984  125.581 69.33453 194.2674 
1 1 1   11    4   33 o  628.595   96.839   6.5512   1.8449   5.4796   3.0414   7.1750   2.3205  554.610  163.804  650.245  118.330 -95.63507 202.0739 
1 1 1   11    4   35 o  2228.33   93.297   80.681   6.5098   88.362   11.202   76.763   7.9992  2249.93  160.042  2145.96  119.519 103.9688 199.7454 
1 1 1   11    4   37 o  610.856   94.538   6.2246   1.7499   8.1021   2.5940   4.6569   2.3704  684.327  125.690  511.298  142.651 173.0284 190.1240 
1 1 1   11    4   39 o  1471.98   79.542   35.235   3.6526   37.631   5.1722   32.852   5.1588  1495.26  111.267  1389.02  119.782 106.2415 163.4870 
1 1 1   11    4   41 o  1267.33   77.580   26.208   3.0638   27.472   4.3135   24.921   4.3525  1272.88  109.283  1205.56  116.764 67.31213 159.9268 
1 1 1   11    4   43 o  964.563  101.051   15.916   3.0067   17.396   4.9730   15.064   3.7748  934.997  176.327  907.613  137.095 27.38391 223.3528 
1 1 1   11    4   45 o  1604.38  139.292   49.976   6.9282   50.313   9.5169   49.596   10.106  1426.99  220.064  1355.17  247.259 71.81824 331.0068 
1 1 1   11    4   47 o  512.521  204.893   9.0147   4.9743   11.959   7.3028   6.4662   6.7942  505.057  225.725  433.683  202.532 71.37363 303.2668 
1 1 1   11    4   49 f  393.510  190.464   8.0031   7.2054   0.0000   0.0000   8.0031   7.2054  ?   ?   393.510  190.464 0.000000 190.4638 
1 1 1   11    4   51 o  316.632  150.513   3.0932   4.0640   2.1696   4.8010   5.4283   7.6336  305.698  149.625  326.799  164.435 -21.10165 222.3203 
1 1 1   11    4   55 o  375.735  176.558   17.960   5.2999   0.0000   0.0000   17.960   5.2999  ?   ?   375.735  176.558 0.000000 176.5584 
1 1 1   11    5    0 o  1981.58  106.692   62.033   6.5957   65.294   9.3292   58.774   9.3262  2024.90  148.167  1918.66  156.601 106.2415 215.5855 
1 1 1   11    5    2 o  2633.37   96.896  109.152   7.9898  109.179   9.7786  109.099   13.858  2630.17  118.734  2612.94  170.312 17.23364 207.6147 
1 1 1   11    5    4 o  3313.17  133.854  173.713   13.886  173.713   13.886   0.0000   0.0000  3313.17  133.854  ?   ?  0.000000 133.8539 
1 1 1   11    5    6 o  556.047  104.092   5.0296   1.7458   5.0296   1.7458   0.0000   0.0000  556.047  104.092  ?   ?  0.000000 104.0918 
1 1 1   11    5    8 o  2163.56  109.682   74.060   7.4062   74.060   7.4062   0.0000   0.0000  2163.56  109.682  ?   ?  0.000000 109.6817 
1 1 1   11    5   10 o  562.023  103.031   5.1379   1.7464   5.1379   1.7464   0.0000   0.0000  562.023  103.031  ?   ?  0.000000 103.0310 
1 1 1   11    5   12 o  2222.87   89.943   77.895   6.2603   79.226   7.6707   75.239   10.834  2238.09  109.456  2162.72  161.134 75.36426 194.7944 
1 1 1   11    5   14 o  843.243   99.964   11.403   2.5881   0.0000   0.0000   11.403   2.5881  ?   ?   843.243   99.964 0.000000 99.96432 
1 1 1   11    5   16 o  1362.80   80.107   29.434   3.4033   30.702   4.1588   26.865   5.9217  1388.25   96.265  1282.07  150.364 106.1781 178.5395 
1 1 1   11    5   18 o  1724.05  102.024   47.542   5.4832   44.037   7.7299   51.092   7.7791  1637.81  152.480  1770.56  141.496 -132.7466 208.0173 
1 1 1   11    5   20 o  1358.09   78.601   29.342   3.3282   25.338   5.6850   31.429   4.1053  1235.83  149.984  1401.00   94.129 -165.1748 177.0745 
1 1 1   11    5   22 o  1911.22   86.528   58.184   5.1783   60.264   8.9344   57.132   6.3544  1907.13  150.844  1881.93  108.290 25.19958 185.6900 
1 1 1   11    5   24 o  1913.05   86.792   58.462   5.1990   58.458   8.9656   58.464   6.3816  1867.85  154.684  1900.17  107.698 -32.32092 188.4837 
1 1 1   11    5   26 o  1074.07   79.798   18.534   2.6646   21.298   4.5618   17.102   3.2828  1128.41  131.579  1022.45  103.985 105.9549 167.7078 
1 1 1   11    5   28 o  450.574   95.710   3.4062   1.3086   2.8191   2.2143   3.7214   1.6223  417.741  141.827  467.397  112.256 -49.65649 180.8768 
1 1 1   11    5   30 o  1497.96   84.545   36.244   3.9494   40.417   7.1355   34.401   4.7420  1533.00  150.594  1447.06  105.378 85.94836 183.8020 
1 1 1   11    5   32 o  1805.30   74.692   52.122   4.2222   51.318   5.9661   52.929   5.9762  1768.11  108.283  1796.92  106.691 -28.81787 152.0141 
1 1 1   11    5   34 o  2043.11   92.799   67.619   5.9368   61.660   10.418   70.485   7.2245  1860.05  181.179  2067.65  112.005 -207.6041 213.0046 
1 1 1   11    5   36 o  935.722   92.181   14.361   2.6658   11.887   5.1603   15.261   3.1134  783.038  207.232  958.314  105.504 -175.2756 232.5425 
1 1 1   11    5   38 o  1698.60   75.768   46.530   4.0299   48.419   5.7560   44.714   5.6439  1704.08  108.436  1635.10  110.891 68.98096 155.0976 
1 1 1   11    5   40 o  222.017  100.519  -0.6649   1.5018  -0.7400   4.1546  -0.6536   1.6107  370.557  167.534  231.305  104.469 139.2520 197.4369 
1 1 1   11    5   42 o  1918.86  115.002   63.253   6.8779   0.0000   0.0000   63.253   6.8779  ?   ?   1918.86  115.002 0.000000 115.0018 
1 1 1   11    5   44 o  881.381  138.986   14.685   3.7087   0.0000   0.0000   14.685   3.7087  ?   ?   881.381  138.986 0.000000 138.9863 
1 1 1   11    5   46 o  375.169  180.555  -0.1405   6.2543   0.0000   0.0000  -0.1405   6.2543  ?   ?   375.169  180.555 0.000000 180.5550 
1 1 1   11    5   48 o  921.432  154.694   19.837   4.3051   0.0000   0.0000   19.837   4.3051  ?   ?   921.432  154.694 0.000000 154.6944 
1 1 1   11    5   50 o  414.119  166.966   6.0121   3.3340   0.0000   0.0000   6.0121   3.3340  ?   ?   414.119  166.966 0.000000 166.9663 
1 1 1   11    5   52 o  326.210  149.330   4.1794   3.4318   0.0000   0.0000   4.1794   3.4318  ?   ?   326.210  149.330 0.000000 149.3303 
1 1 1   11    5   54 o  286.945  135.915   3.7731   3.2572  -0.5934   8.0052   4.6395   3.5657  ?   ?   295.562  140.640 0.000000 140.6398 
1 1 1   11    6    1 o  4111.62  124.832  267.046   16.071  254.738   19.670  291.762   27.874  4005.48  156.832  4263.79  208.781 -258.3120 261.1243 
1 1 1   11    6    3 o  1107.91   78.593   19.383   2.7088   19.382   3.3068   19.387   4.7228  1105.47   96.499  1097.76  140.629 7.705200 170.5534 
1 1 1   11    6    5 o  2264.45   90.463   80.683   6.4143   78.112   7.8472   85.859   11.135  2222.15  113.153  2320.10  154.145 -97.95581 191.2180 
1 1 1   11    6    7 o  1838.97  104.123   53.488   5.9711   53.833   8.4523   53.144   8.4366  1835.45  148.334  1823.41  149.066 12.04419 210.2944 
1 1 1   11    6    9 o  417.252  106.811   2.8525   1.4014   2.8525   1.4014   0.0000   0.0000  417.252  106.811  ?   ?  0.000000 106.8113 
1 1 1   11    6   11 o  3039.92  104.499  145.992   9.9470  147.262   12.179  143.448   17.240  3046.38  127.672  2979.32  185.724 67.06152 225.3744 
1 1 1   11    6   13 o  1696.73  101.979   45.712   5.3929   50.234   7.6455   41.234   7.6080  1768.63  139.181  1596.69  154.084 171.9318 207.6368 
1 1 1   11    6   15 o  923.619   79.657   13.564   2.2812   14.385   3.9194   13.144   2.8054  937.803  137.561  904.891  100.718 32.91174 170.4910 
1 1 1   11    6   17 o  1265.41   80.639   25.437   3.1785   26.964   5.4504   24.650   3.9128  1285.90  137.495  1240.33  101.639 45.56750 170.9833 
1 1 1   11    6   19 o  1350.27   80.345   29.002   3.3817   31.272   5.8297   27.851   4.1515  1382.45  136.453  1316.94  101.457 65.51733 170.0383 
1 1 1   11    6   21 o  1101.37   79.624   19.348   2.7274   19.097   3.3562   19.836   4.6804  1088.55   99.568  1094.98  139.691 -6.429199 171.5439 
1 1 1   11    6   23 o  1146.28   69.295   20.890   2.4755   20.328   3.5201   21.440   3.4820  1121.01  101.379  1152.90   97.365 -31.88684 140.5623 
1 1 1   11    6   25 o  401.301   96.781   2.6920   1.2020   1.8422   1.9768   3.1906   1.5141  363.956  133.063  435.299  110.799 -71.34274 173.1537 
1 1 1   11    6   27 o  1093.06   72.229   19.134   2.4582   20.380   3.5323   17.964   3.4231  1116.02  102.215  1045.57  106.022 70.44897 147.2705 
1 1 1   11    6   29 o  254.855  103.388   0.4958   1.2868   0.4958   1.2868   0.0000   0.0000  254.855  103.388  ?   ?  0.000000 103.3877 
1 1 1   11    6   31 o  614.732   83.542   6.1691   1.5664   4.0142   2.3271   7.9544   2.1182  483.091  143.430  693.740  100.431 -210.6489 175.0960 
1 1 1   11    6   33 o  1481.55  112.887   36.178   5.1975   41.025   7.4122   31.489   7.2901  1544.91  155.329  1332.88  179.214 212.0320 237.1596 
1 1 1   11    6   35 o  599.005  132.789   6.2315   2.4252   0.0000   0.0000   6.2315   2.4252  ?   ?   599.005  132.789 0.000000 132.7887 
1 1 1   11    6   37 o  1410.83   88.632   32.447   3.8956   36.428   7.4758   30.962   4.5642  1422.86  171.232  1365.39  107.629 57.47229 202.2486 
1 1 1   11    6   39 o  1780.43  103.986   52.668   5.7720   0.0000   0.0000   52.668   5.7720  ?   ?   1780.43  103.986 0.000000 103.9864 
1 1 1   11    6   41 o  1923.85  122.927   63.642   7.3665   0.0000   0.0000   63.642   7.3665  ?   ?   1923.85  122.927 0.000000 122.9268 
1 1 1   11    6   43 o  399.573  141.997   2.8115   2.2321   0.0000   0.0000   2.8115   2.2321  ?   ?   399.573  141.997 0.000000 141.9970 
1 1 1   11    6   45 o  472.472  215.909   5.3907   7.1326   0.0000   0.0000   5.3907   7.1326  ?   ?   472.472  215.909 0.000000 215.9091 
1 1 1   11    6   47 o  214.721   99.832  -0.7370   1.6219   0.5291   5.9828  -0.8374   1.6850  360.461  174.238  216.166  100.921 144.2952 201.3555 
1 1 1   11    6   49 f  526.277  156.153   7.2859   2.7588   7.4978   6.8583   7.2450   3.0134  393.930  189.460  503.574  165.343 -109.6438 251.4627 
1 1 1   11    6   51 o  235.632  110.417  -0.0668   2.0485 -10.1576   6.6721   0.9833   2.1524  ?   ?   264.789  120.071 0.000000 120.0706 
1 1 1   11    6   53 o  315.366  143.872   4.1479   3.1503   0.0000   0.0000   4.1479   3.1503  ?   ?   315.366  143.872 0.000000 143.8722 
1 1 1   11    7    0 o  1249.71   67.731   24.586   2.6405   26.318   3.7390   22.864   3.7295  1290.04   93.190  1200.96  100.086 89.07666 136.7532 
1 1 1   11    7    2 o  4158.79  109.832  272.675   14.303  265.500   20.226  279.850   20.227  4088.56  157.990  4199.16  153.836 -110.5957 220.5140 
1 1 1   11    7    4 o  3805.04  104.305  228.164   12.427  231.617   17.578  224.712   17.572  3821.51  146.897  3763.37  149.121 58.13599 209.3221 
1 1 1   11    7    6 o  2145.88   75.964   72.362   5.1042   68.753   7.2123   75.983   7.2247  2084.45  110.899  2195.21  105.106 -110.7571 152.7937 
1 1 1   11    7    8 o  1997.83   74.778   62.737   4.6779   58.923   6.6063   66.573   6.6248  1928.69  109.844  2051.74  103.451 -123.0458 150.8901 
1 1 1   11    7   10 o  2166.26   89.369   73.947   6.0620   77.362   7.4238   67.115   10.501  2212.58  107.155  2041.48  165.710 171.0952 197.3368 
1 1 1   11    7   14 o  426.333   97.699   2.9932   1.2763   2.3304   1.5332   4.4889   2.3032  382.027  117.090  520.079  138.834 -138.0519 181.6173 
1 1 1   11    7   16 o  895.314   76.626   12.755   2.1275   8.8656   3.5540   14.927   2.6559  724.811  160.800  966.585   88.742 -241.7740 183.6623 
1 1 1   11    7   18 o  393.333   89.361   2.5533   1.0756   1.8045   1.5044   3.3360   1.5383  346.158  116.908  447.942  110.383 -101.7838 160.7854 
1 1 1   11    7   20 o  941.690   79.758   14.159   2.3297   14.269   3.9752   14.101   2.8752  926.791  141.464  934.682   99.782 -7.891113 173.1143 
1 1 1   11    7   22 o  1283.73   81.353   26.295   3.2532   24.588   3.9969   29.646   5.5998  1233.68  104.449  1342.20  135.078 -108.5215 170.7498 
1 1 1   11    7   24 o  1114.84   71.159   19.806   2.4711   21.908   3.5323   17.791   3.4582  1163.94   97.827  1044.68  107.239 119.2574 145.1561 
1 1 1   11    7   26 f  333.104  100.784   1.8142   1.1410   0.1049   1.8386   2.8848   1.4551  279.001  119.092  413.701  110.310 -134.6998 162.3303 
1 1 1   11    7   28 o  783.917   87.082   9.9921   2.1014   9.9063   2.6744   10.131   3.3974  770.519  114.314  764.916  147.190 5.602478 186.3665 
1 1 1   11    7   30 o  2131.19   80.487   72.708   5.3711   77.420   7.6578   68.144   7.5355  2173.66  112.900  2034.09  118.827 139.5720 163.9093 
1 1 1   11    7   32 o  2383.41   82.302   91.027   6.1423   98.178   8.7612   84.115   8.6136  2449.36  114.234  2257.25  122.324 192.1035 167.3697 
1 1 1   11    7   34 o  1367.50   90.577   30.308   3.8566   40.599   7.4176   26.496   4.5147  1534.78  156.538  1264.97  115.246 269.8073 194.3853 
1 1 1   11    7   36 o  2735.21  124.243  125.016   10.641   0.0000   0.0000  125.016   10.641  ?   ?   2735.21  124.243 0.000000 124.2431 
1 1 1   11    7   38 o  1624.56  111.942   44.034   5.6596   0.0000   0.0000   44.034   5.6596  ?   ?   1624.56  111.942 0.000000 111.9420 
1 1 1   11    7   40 o  1312.70  120.517   29.356   4.8984   0.0000   0.0000   29.356   4.8984  ?   ?   1312.70  120.517 0.000000 120.5166 
1 1 1   11    7   42 o  1428.06   90.059   33.912   4.0065   49.974   7.5116   27.526   4.7365  1659.46  146.047  1255.98  121.973 403.4761 190.2823 
1 1 1   11    7   44 o  661.942  207.195   10.682   4.7725   8.3497   6.1889   14.102   7.4960  556.287  226.336  664.103  255.624 -107.8157 341.4258 
1 1 1   11    7   46 o  1841.69   97.276   60.969   5.5898   77.666   10.361   54.113   6.6390  1797.86  186.764  1656.59  129.005 141.2626 226.9872 
1 1 1   11    7   48 o  597.213  131.615   7.6970   2.3949   6.4427   6.5924   7.8876   2.5705  409.710  193.858  591.914  140.748 -182.2037 239.5644 
1 1 1   11    7   50 o  189.445   88.581  -0.5818   1.3061   1.3554   6.8112  -0.6558   1.3308  325.597  162.618  189.044   88.717 136.5528 185.2441 
1 1 1   11    7   52 o  144.458   71.730  -2.2171   1.2478   8.6998   7.2023  -2.5549   1.2669  334.008  166.879  140.546   70.186 193.4615 181.0375 
1 1 1   11    7   54 o  279.957  132.651   3.0709   3.1079   0.0000   0.0000   3.0709   3.1079  ?   ?   279.957  132.651 0.000000 132.6513 
1 1 1   11    8    1 o  3181.27  131.870  160.047   13.136   0.0000   0.0000  160.047   13.136  ?   ?   3181.27  131.870 0.000000 131.8695 
1 1 1   11    8    3 o  2864.10   87.357  129.022   7.8343  138.307   11.088  119.766   11.071  2959.42  119.656  2752.12  128.467 207.3015 175.5599 
1 1 1   11    8    5 o  1848.00   72.958   53.652   4.2218   50.154   5.9611   57.172   5.9799  1780.01  107.455  1902.09  100.762 -122.0831 147.3073 
1 1 1   11    8    7 o  3915.23  104.870  241.881   12.857  238.589   18.182  245.173   18.181  3872.77  149.938  3926.69  147.872 -53.92139 210.5884 
1 1 1   11    8    9 f  630.303   84.719   6.3672   1.6297   6.0176   2.7632   6.5537   2.0181  602.785  147.582  635.931  105.011 -33.14624 181.1291 
1 1 1   11    8   11 o  1059.39  140.134   18.209   4.5344   0.0000   0.0000   18.209   4.5344  ?   ?   1059.39  140.134 0.000000 140.1341 
1 1 1   11    8   13 o  1624.56   82.388   41.772   4.1773   41.846   5.1087   41.623   7.2563  1621.59  101.117  1603.29  146.144 18.30432 177.7154 
1 1 1   11    8   15 o  590.620  105.661   5.7124   1.8823   6.2435   2.6171   5.1433   2.7094  610.980  139.821  554.614  151.654 56.36542 206.2739 
1 1 1   11    8   17 o  498.634   97.307   4.0868   1.4648   4.8352   1.7873   2.5561   2.5562  540.932  109.283  424.361  151.833 116.5711 187.0719 
1 1 1   11    8   19 o  932.115   79.379   13.861   2.2947   13.653   2.8124   14.275   3.9691  920.284   99.164  928.252  140.990 -7.967346 172.3715 
1 1 1   11    8   21 o  617.426   75.232   6.1267   1.4244   6.3277   1.9922   5.9165   2.0374  620.117  106.431  597.450  113.048 22.66693 155.2655 
1 1 1   11    8   23 f  1041.18   81.513   17.358   2.6363   15.624   3.2581   20.646   4.4863  979.175  108.066  1117.82  130.637 -138.6492 169.5416 
1 1 1   11    8   25 o  1186.30   72.258   22.462   2.6713   24.726   3.8848   20.432   3.6792  1233.71  101.463  1118.77  106.302 114.9395 146.9520 
1 1 1   11    8   27 o  886.027   76.242   12.614   2.0946   14.372   3.1072   11.149   2.8359  934.697  108.165  819.828  113.516 114.8688 156.7980 
1 1 1   11    8   29 o  1204.98   81.745   23.323   3.0661   21.902   5.2052   24.078   3.7941  1134.43  150.231  1216.66  100.492 -82.22998 180.7428 
1 1 1   11    8   31 o  441.625   99.145   3.2669   1.3374   3.3669   2.1093   3.1996   1.7295  448.015  137.338  435.234  122.000 12.78040 183.6999 
1 1 1   11    8   33 o  1795.18   88.701   51.827   4.9860   50.539   8.4234   52.521   6.1862  1718.41  158.327  1790.94  110.859 -72.52576 193.2795 
1 1 1   11    8   35 f  1624.46   86.642   42.650   4.3912   40.625   7.3309   43.783   5.4839  1534.31  154.701  1632.04  107.919 -97.73291 188.6237 
1 1 1   11    8   37 o  2481.14   97.175  100.451   7.5496  104.742   13.300   98.412   9.1701  2419.06  176.813  2429.44  120.546 -10.38159 213.9958 
1 1 1   11    8   39 o  1000.02  103.785   16.649   3.2025   20.756   6.3102   15.224   3.7167  1041.45  200.782  940.670  129.628 100.7783 238.9911 
1 1 1   11    8   41 o  2911.00  107.604  142.336   9.8082  159.689   17.150  133.902   11.956  2876.67  191.493  2759.69  138.807 116.9822 236.5101 
1 1 1   11    8   43 o  566.655  204.245   7.2832   4.6337   9.9538   5.8275   2.6919   7.6409  629.187  228.702  482.427  221.569 146.7603 318.4294 
1 1 1   11    8   45 o  1695.17  150.300   58.529   7.8952   68.625   10.850   47.166   11.510  1657.41  214.069  1095.17  317.303 562.2352 382.7621 
1 1 1   11    8   47 o  544.823  234.177   14.142   7.1981   14.142   7.1981   0.0000   0.0000  544.823  234.177  ?   ?  0.000000 234.1772 
1 1 1   11    8   49 o  716.128  283.571   37.390   9.4428   37.390   9.4428   0.0000   0.0000  716.128  283.571  ?   ?  0.000000 283.5711 
1 1 1   11    8   51 o  292.083  147.598  -2.0185   6.5393  -2.0185   6.5393   0.0000   0.0000  292.083  147.598  ?   ?  0.000000 147.5976 
1 1 1   11    8   53 o  ?   ?   -4.2429   7.4372  -4.2429   7.4372   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   11    9    0 o  1756.16  103.026   48.754   5.6406   47.628   7.9751   49.882   7.9789  1726.63  148.968  1768.11  145.406 -41.47717 208.1685 
1 1 1   11    9    6 o  2875.83  124.751  130.975   11.234  137.449   15.900  124.521   15.874  2925.39  174.374  2780.21  183.369 145.1782 253.0425 
1 1 1   11    9    8 o  2551.34  117.483  103.125   9.3856   0.0000   0.0000  103.125   9.3856  ?   ?   2551.34  117.483 0.000000 117.4829 
1 1 1   11    9   10 o  2044.25   88.243   65.950   5.6484   66.449   9.7964   65.701   6.9133  2029.67  155.322  2033.36  108.978 -3.687744 189.7396 
1 1 1   11    9   12 o  1785.99   84.191   50.375   4.7083   55.557   8.1686   47.796   5.7617  1856.04  141.623  1732.00  106.759 124.0325 177.3543 
1 1 1   11    9   14 o  1012.68   79.335   16.298   2.4955   16.025   4.3079   16.436   3.0616  987.795  143.473  1013.14   97.719 -25.33911 173.5901 
1 1 1   11    9   16 f  1354.01   81.420   29.112   3.4360   31.325   4.2072   24.681   5.9540  1400.79   96.507  1221.68  159.448 179.1141 186.3793 
1 1 1   11    9   18 o  563.304   98.482   5.1931   1.6738   5.2986   2.0768   4.9975   2.8276  564.210  121.172  546.157  156.988 18.05322 198.3123 
1 1 1   11    9   20 o  493.790   88.643   3.9902   1.3202   4.4546   1.8928   3.5502   1.8424  516.182  119.471  461.251  124.615 54.93076 172.6326 
1 1 1   11    9   22 o  1194.27   70.206   22.665   2.6139   24.253   3.7950   21.232   3.6053  1226.58   99.673  1146.53  101.474 80.05286 142.2378 
1 1 1   11    9   24 o  1253.49   98.394   25.410   3.8309   22.759   5.3724   28.153   5.4642  1161.06  151.374  1301.56  136.088 -140.4989 203.5529 
1 1 1   11    9   26 o  587.652   92.505   5.6703   1.6459   5.6815   2.6831   5.6635   2.0841  572.923  148.379  579.538  118.837 -6.614929 190.1015 
1 1 1   11    9   28 o  277.813  101.376   1.0324   1.1466   0.4950   1.8865   1.3473   1.4440  298.090  123.504  313.329  113.851 -15.23898 167.9741 
1 1 1   11    9   30 o  667.740   89.180   7.2600   1.8180   6.5900   2.6453   7.8598   2.5027  620.145  139.596  685.008  121.112 -64.86292 184.8107 
1 1 1   11    9   32 o  2097.48   82.215   70.341   5.3996   67.385   7.6496   73.276   7.6229  2025.30  121.179  2116.78  115.445 -91.47412 167.3675 
1 1 1   11    9   34 o  988.551   82.600   15.773   2.5334   15.288   3.5899   16.255   3.5756  956.220  122.730  988.800  117.802 -32.57977 170.1175 
1 1 1   11    9   36 o  1158.56   79.367   21.642   2.8619   20.657   4.0271   22.648   4.0678  1112.98  117.323  1168.62  112.556 -55.64563 162.5837 
1 1 1   11    9   38 o  1509.93   98.802   37.403   4.6456   42.115   8.3743   35.308   5.5835  1528.17  178.366  1447.83  124.367 80.33301 217.4430 
1 1 1   11    9   40 o  661.471  119.565   7.5632   2.3853   14.629   5.5568   5.9672   2.6410  855.287  209.213  573.837  146.483 281.4500 255.3964 
1 1 1   11    9   42 o  357.110  168.931  -2.8797   5.0007  -2.8797   5.0007   0.0000   0.0000  357.110  168.931  ?   ?  0.000000 168.9309 
1 1 1   11    9   44 o  800.317  254.769   19.180   7.1883   19.180   7.1883   0.0000   0.0000  800.317  254.769  ?   ?  0.000000 254.7688 
1 1 1   11    9   46 o  682.763  256.121   18.957   7.4084   18.957   7.4084   0.0000   0.0000  682.763  256.121  ?   ?  0.000000 256.1214 
1 1 1   11    9   48 o  402.582  182.359   4.9974   4.9496   2.7823   7.1939   6.9886   6.8205  375.669  183.721  418.346  197.712 -42.67694 269.8951 
1 1 1   11    9   50 o  495.964  210.717   13.405   5.7074   22.098   8.0854   4.7722   8.0576  513.328  232.750  353.544  176.620 159.7841 292.1766 
1 1 1   11    9   52 o  421.806  198.285   16.393   6.6956   30.923   8.8575  -2.9789   10.228  475.849  225.017  ?   ?  0.000000 225.0166 
1 1 1   11   10    1 o  1274.38   80.062   25.634   3.1786   25.844   3.8928   25.215   5.5058  1277.03   98.102  1252.81  142.911 24.22205 173.3418 
1 1 1   11   10    3 o  1474.96  145.032   34.890   6.6117   0.0000   0.0000   34.890   6.6117  ?   ?   1474.96  145.032 0.000000 145.0320 
1 1 1   11   10    5 o  1899.62  106.097   57.179   6.2856   59.036   8.8955   55.327   8.8829  1919.32  149.188  1856.22  154.226 63.09521 214.5759 
1 1 1   11   10    7 o  2096.40  109.815   69.748   7.1836   69.114   10.147   70.386   10.171  2072.12  157.572  2091.62  156.431 -19.50610 222.0349 
1 1 1   11   10    9 o  353.497  107.117   1.9926   1.2882   2.8225   1.5669   0.2617   2.2628  415.639  115.985  318.685  133.889 96.95328 177.1400 
1 1 1   11   10   11 o  2655.42   97.183  111.678   8.0806  122.374   9.9078   90.429   13.964  2773.67  114.079  2344.04  191.941 429.6274 223.2830 
1 1 1   11   10   13 o  376.871  108.149   2.3129   1.3429   2.0837   1.6973   2.6966   2.1959  371.098  124.183  420.882  141.245 -49.78433 188.0730 
1 1 1   11   10   15 o  888.253   85.587   12.601   2.3510   11.788   2.8914   14.189   4.0385  853.045  110.871  927.710  143.669 -74.66425 181.4746 
1 1 1   11   10   17 o  417.096  115.647   2.8684   1.5630   1.6816   2.0748   4.4256   2.3766  364.661  135.788  515.006  142.537 -150.3448 196.8632 
1 1 1   11   10   19 o  917.825  101.221   13.595   2.8607   15.469   3.9750   11.582   4.1200  969.373  134.590  826.333  165.007 143.0404 212.9359 
1 1 1   11   10   21 o  242.179  107.981  -0.6020   1.6606  -0.6020   1.6606   0.0000   0.0000  242.179  107.981  ?   ?  0.000000 107.9811 
1 1 1   11   10   23 f  569.107  160.613   5.5712   2.9870   0.0000   0.0000   5.5712   2.9870  ?   ?   569.107  160.613 0.000000 160.6127 
1 1 1   11   10   25 o  784.556  111.572   10.145   2.6637   10.145   2.6637   0.0000   0.0000  784.556  111.572  ?   ?  0.000000 111.5716 
1 1 1   11   10   27 f  508.848  116.765   4.3607   1.8210   5.3036   2.2817   2.7066   3.0221  558.333  132.503  441.217  163.961 117.1159 210.8084 
1 1 1   11   10   29 o  1489.27   87.377   35.546   4.0568   41.840   4.9637   22.885   7.0400  1611.06   98.875  1134.29  205.794 476.7698 228.3139 
1 1 1   11   10   31 o  1342.70   89.345   28.985   3.7349   27.828   4.3170   32.429   7.4478  1308.43  106.287  1370.64  177.718 -62.21619 207.0766 
1 1 1   11   10   33 o  2717.72  102.819  119.583   8.7497  116.078   10.535  127.378   15.710  2654.95  126.723  2699.70  186.996 -44.75073 225.8899 
1 1 1   11   10   35 o  866.902  107.661   12.423   2.8595   11.563   3.1545   16.387   6.7725  828.250  125.571  918.639  234.610 -90.38940 266.1013 
1 1 1   11   10   37 o  744.383  118.831   9.3560   2.6766   9.3560   2.6766   0.0000   0.0000  744.383  118.831  ?   ?  0.000000 118.8315 
1 1 1   11   10   39 o  833.700  225.998   14.074   6.0476   14.074   6.0476   0.0000   0.0000  833.700  225.998  ?   ?  0.000000 225.9977 
1 1 1   11   10   41 o  447.432  197.868   1.3150   5.4632   1.3150   5.4632   0.0000   0.0000  447.432  197.868  ?   ?  0.000000 197.8677 
1 1 1   11   10   43 o  385.565  174.646   0.5442   4.5393  -1.0006   5.8389   2.9042   7.2169  394.361  185.314  472.052  216.261 -77.69168 284.7984 
1 1 1   11   10   45 o  697.120  259.213   18.046   7.5557   18.046   7.5557   0.0000   0.0000  697.120  259.213  ?   ?  0.000000 259.2129 
1 1 1   11   10   47 o  ?   ?  -16.7317   3.8473 -12.8647   5.4441 -20.5895   5.4377  252.618  128.346  ?   ?  0.000000 128.3458 
1 1 1   11   10   49 o  365.102  172.246   3.5374   5.1352   11.325   7.3442  -3.9123   7.1831  441.997  207.742  317.422  159.689 124.5746 262.0253 
1 1 1   11   10   51 o  302.959  151.168  -0.1010   5.8261   0.9024   8.4529  -1.0090   8.0412  319.769  162.206  310.349  157.509 9.419800 226.0973 
1 1 1   11   11    0 o  3043.67  128.799  146.856   12.275  157.114   17.364  136.608   17.355  3125.87  178.142  2908.00  191.673 217.8652 261.6738 
1 1 1   11   11    2 o  2314.73  113.161   84.748   8.2019   88.103   11.600   81.394   11.598  2343.46  159.030  2249.69  165.811 93.76953 229.7475 
1 1 1   11   11    4 o  3625.68  116.836  208.279   13.264  214.311   16.254  196.255   22.949  3667.66  141.535  3466.70  212.434 200.9578 255.2657 
1 1 1   11   11    6 o  3151.26  131.765  158.112   13.002  166.056   18.420  150.224   18.355  3199.05  184.669  3036.71  194.049 162.3394 267.8761 
1 1 1   11   11    8 o  871.095  147.095   12.470   3.8693   0.0000   0.0000   12.470   3.8693  ?   ?   871.095  147.095 0.000000 147.0953 
1 1 1   11   11   10 o  1603.67  102.931   40.945   5.1414   44.466   7.4019   37.664   7.1467  1658.67  143.945  1522.82  151.907 135.8469 209.2744 
1 1 1   11   11   12 o  1269.85   99.928   25.733   3.9413   28.406   5.5844   23.080   5.5633  1324.14  136.650  1186.86  153.279 137.2795 205.3476 
1 1 1   11   11   14 o  1566.91  101.479   39.159   4.9522   50.213   7.0194   28.205   6.9876  1766.13  127.791  1303.71  175.640 462.4108 217.2099 
1 1 1   11   11   16 o  1364.63  100.924   29.774   4.2819   34.179   6.0311   25.296   6.0802  1451.53  134.214  1237.28  160.738 214.2562 209.4036 
1 1 1   11   11   18 o  752.005  105.969   9.1957   2.4261   10.839   3.3410   7.3625   3.5286  808.678  136.824  656.940  170.173 151.7382 218.3566 
1 1 1   11   11   20 o  1098.19   85.820   19.282   2.9276   21.738   3.6544   14.883   4.8917  1161.78  101.474  933.539  173.738 228.2441 201.2006 
1 1 1   11   11   22 o  481.953  123.631   3.9091   1.8748   3.6116   2.5477   4.2606   2.7689  470.938  151.858  505.919  157.733 -34.98093 218.9533 
1 1 1   11   11   24 o  548.140  112.925   5.0187   1.8737   5.6567   2.3417   3.8832   3.1240  577.813  132.279  493.777  168.456 84.03604 214.1853 
1 1 1   11   11   26 o  1199.26   90.801   23.091   3.3844   25.348   4.0439   17.813   6.1836  1252.06  104.091  1003.10  203.822 248.9615 228.8628 
1 1 1   11   11   28 o  1760.23   87.451   49.405   4.8201   46.068   5.7706   57.105   8.7666  1687.74  109.790  1853.38  152.410 -165.6407 187.8371 
1 1 1   11   11   30 o  1480.76   91.420   35.191   4.2181   34.046   4.9377   38.282   8.1143  1448.66  109.666  1497.09  176.487 -48.43579 207.7842 
1 1 1   11   11   32 o  565.187  138.593   5.4764   2.4340   5.4764   2.4340   0.0000   0.0000  565.187  138.593  ?   ?  0.000000 138.5926 
1 1 1   11   11   34 o  727.034  124.509   8.8997   2.7325   8.8997   2.7325   0.0000   0.0000  727.034  124.509  ?   ?  0.000000 124.5091 
1 1 1   11   11   36 o  528.531  139.664   4.8486   2.3462   4.8486   2.3462   0.0000   0.0000  528.531  139.664  ?   ?  0.000000 139.6638 
1 1 1   11   11   38 o  1190.45  118.218   23.704   4.3484   21.950   5.0445   28.777   8.5786  1126.52  146.474  1210.45  234.806 -83.93091 276.7458 
1 1 1   11   11   40 o  394.867  174.414   0.2597   4.2324  -1.4875   5.4303   2.9635   6.7554  404.979  186.291  516.144  224.347 -111.1655 291.6090 
1 1 1   11   11   42 o  776.487  217.555   13.785   5.5011   17.725   7.0665   7.7251   8.7643  834.211  250.459  571.844  251.865 262.3679 355.1979 
1 1 1   11   11   44 o  332.455  159.876  -2.9400   4.8803  -4.1897   6.5096  -1.3361   7.3749  361.870  176.493  405.460  195.359 -43.59052 263.2774 
1 1 1   11   11   46 o  1190.35  179.335   32.891   6.4769   55.948   9.6690   14.124   8.7232  1439.37  221.645  544.701  244.832 894.6706 330.2563 
1 1 1   11   11   48 o  484.494  210.817   9.9326   5.9780   14.780   8.7011   5.5989   8.2270  489.102  228.674  405.873  198.055 83.22849 302.5190 
1 1 1   11   11   50 o  371.685  178.520   5.3678   6.0409   18.571   9.0803  -5.1159   8.0912  452.570  217.745  310.484  157.620 142.0862 268.8064 
1 1 1   11   11   52 o  ?   ?  -13.7824   8.9664 -13.7824   8.9664   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   11   12    1 o  601.767  121.269   5.9444   2.2061   6.9423   3.3215   5.1567   2.9510  645.875  163.951  560.472  160.157 85.40387 229.1945 
1 1 1   11   12    3 o  226.564  102.107  -0.7798   1.5290  -3.0453   2.6016   0.4156   1.8899  256.797  121.587  299.770  123.860 -42.97314 173.5649 
1 1 1   11   12    5 o  1482.88  145.540   35.488   6.6707   0.0000   0.0000   35.488   6.6707  ?   ?   1482.88  145.540 0.000000 145.5398 
1 1 1   11   12    7 o  1127.49  144.604   20.670   4.9875   0.0000   0.0000   20.670   4.9875  ?   ?   1127.49  144.604 0.000000 144.6043 
1 1 1   11   12    9 o  2154.71  160.325   75.274   10.740   0.0000   0.0000   75.274   10.740  ?   ?   2154.71  160.325 0.000000 160.3250 
1 1 1   11   12   11 o  785.626  153.665   10.265   3.6447   0.0000   0.0000   10.265   3.6447  ?   ?   785.626  153.665 0.000000 153.6650 
1 1 1   11   12   13 o  1093.74  146.541   19.580   4.8925   0.0000   0.0000   19.580   4.8925  ?   ?   1093.74  146.541 0.000000 146.5414 
1 1 1   11   12   15 o  1068.19   85.121   18.167   2.8235   21.705   3.5221   11.805   4.7231  1165.35   97.416  832.261  185.927 333.0901 209.9015 
1 1 1   11   12   17 o  941.844   90.055   14.201   2.6235   17.090   3.2663   8.9487   4.4041  1030.86  102.550  721.072  191.739 309.7851 217.4405 
1 1 1   11   12   19 o  1190.83  144.793   23.407   5.2879   23.407   5.2879   0.0000   0.0000  1190.83  144.793  ?   ?  0.000000 144.7933 
1 1 1   11   12   21 o  249.200  104.629   0.1792   1.3805   0.8115   1.4918  -3.5900   3.6422  288.089  113.143  309.663  145.779 -21.57391 184.5334 
1 1 1   11   12   23 o  747.476  119.328   9.2263   2.6990   9.2263   2.6990   0.0000   0.0000  747.476  119.328  ?   ?  0.000000 119.3282 
1 1 1   11   12   25 o  1107.13  117.056   19.954   3.9964   19.954   3.9964   0.0000   0.0000  1107.13  117.056  ?   ?  0.000000 117.0559 
1 1 1   11   12   27 o  1394.75  111.573   31.457   4.8320   31.457   4.8320   0.0000   0.0000  1394.75  111.573  ?   ?  0.000000 111.5729 
1 1 1   11   12   29 o  1466.41  108.276   34.751   4.9365   34.751   4.9365   0.0000   0.0000  1466.41  108.276  ?   ?  0.000000 108.2761 
1 1 1   11   12   31 o  405.464  135.208   2.5891   2.0122   2.5891   2.0122   0.0000   0.0000  405.464  135.208  ?   ?  0.000000 135.2080 
1 1 1   11   12   33 o  2187.21  128.580   78.746   8.7673   87.753   11.672   67.083   13.282  2274.08  165.033  1925.66  224.482 348.4219 278.6185 
1 1 1   11   12   35 o  635.104  129.101   6.8634   2.4799   8.3291   2.6802  -1.8584   6.5380  702.213  126.548  459.381  208.677 242.8314 244.0504 
1 1 1   11   12   37 o  1487.84  106.390   36.310   4.9238   38.837   5.6279   28.065   10.166  1530.84  118.328  1156.42  283.040 374.4240 306.7789 
1 1 1   11   12   39 o  1722.46  104.891   49.193   5.6303   51.227   6.4588   42.756   11.491  1744.06  118.980  1407.02  270.639 337.0377 295.6374 
1 1 1   11   12   41 o  635.834  224.680   9.1355   5.5808   5.8895   7.4851   13.199   8.3744  555.649  238.814  700.968  270.082 -145.3186 360.5226 
1 1 1   11   12   43 o  634.711  225.720   10.559   5.6412   10.752   7.7344   10.339   8.2459  597.518  249.025  584.093  250.837 13.42462 353.4578 
1 1 1   11   12   45 o  359.485  171.432  -1.1225   5.3593 -12.5394   8.2947   7.0592   7.0218  334.844  168.851  491.441  220.367 -156.5971 277.6187 
1 1 1   11   12   47 o  772.976  243.363   20.850   6.5733   32.453   10.174   12.536   8.6122  744.056  294.435  500.713  231.844 243.3434 374.7580 
1 1 1   11   12   49 o  478.889  214.076   11.723   6.5724   23.304   10.156   3.3766   8.6212  513.000  242.083  375.647  186.861 137.3526 305.8128 
1 1 1   11   12   51 o  336.940  166.809   3.3566   6.5605  -0.5003   10.736   5.6549   8.2878  ?   ?   349.400  175.215 0.000000 175.2147 
1 1 1   11   13    2 o  808.851  151.028   10.793   3.6844   0.0000   0.0000   10.793   3.6844  ?   ?   808.851  151.028 0.000000 151.0277 
1 1 1   11   13    4 o  2878.09  181.642  134.592   16.286   0.0000   0.0000  134.592   16.286  ?   ?   2878.09  181.642 0.000000 181.6423 
1 1 1   11   13    6 o  2728.12  177.097  120.908   15.047   0.0000   0.0000  120.908   15.047  ?   ?   2728.12  177.097 0.000000 177.0971 
1 1 1   11   13    8 o  2832.70  122.914  127.758   10.902  142.634   15.524  113.282   15.314  2967.56  167.754  2632.90  186.975 334.6577 251.1992 
1 1 1   11   13   10 o  472.098  153.696   3.4844   2.6059   0.0000   0.0000   3.4844   2.6059  ?   ?   472.098  153.696 0.000000 153.6962 
1 1 1   11   13   12 o  1169.54  100.422   21.845   3.6419   31.618   5.5175   14.300   4.8480  1401.22  127.137  924.361  173.877 476.8622 215.3999 
1 1 1   11   13   14 o  1069.64  119.291   18.486   3.9274   19.450   5.4784   17.467   5.6331  1082.23  167.042  1018.69  183.342 63.53967 248.0268 
1 1 1   11   13   16 o  2124.82  116.030   72.428   7.6906   68.466   10.843   76.438   10.910  2036.94  171.601  2158.47  162.610 -121.5200 236.4086 
1 1 1   11   13   18 o  773.728  103.853   9.7178   2.4526   8.4248   2.8548   13.360   4.7918  711.548  133.024  884.213  179.208 -172.6650 223.1829 
1 1 1   11   13   20 o  1011.27  145.214   16.966   4.4663   16.966   4.4663   0.0000   0.0000  1011.27  145.214  ?   ?  0.000000 145.2144 
1 1 1   11   13   22 o  559.156  140.962   5.2766   2.4674   5.2766   2.4674   0.0000   0.0000  559.156  140.962  ?   ?  0.000000 140.9618 
1 1 1   11   13   24 o  666.086  134.268   7.4180   2.7037   7.4180   2.7037   0.0000   0.0000  666.086  134.268  ?   ?  0.000000 134.2682 
1 1 1   11   13   26 o  992.909   96.820   15.853   2.9719   16.298   3.3728   14.310   6.2844  1003.36  109.114  897.119  224.311 106.2416 249.4418 
1 1 1   11   13   28 o  780.820  113.397   9.9862   2.6914   9.4504   2.9951   12.234   6.1343  753.597  131.723  825.621  229.173 -72.02338 264.3315 
1 1 1   11   13   30 o  1009.86  101.987   16.508   3.1808   13.888   3.5789   26.355   6.9391  916.578  128.209  1238.81  184.519 -322.2310 224.6880 
1 1 1   11   13   32 o  1078.85  109.045   18.959   3.6331   19.986   4.0844   15.064   7.9514  1103.52  120.145  887.135  265.527 216.3870 291.4442 
1 1 1   11   13   34 o  989.223  101.949   15.928   3.1126   15.929   3.4434   15.926   7.2787  984.728  113.767  913.639  248.048 71.08844 272.8936 
1 1 1   11   13   36 o  2185.33  101.536   77.381   6.9479   83.593   8.3239   63.111   12.617  2255.17  118.289  1852.47  221.923 402.7030 251.4805 
1 1 1   11   13   38 o  751.833  126.126   9.6807   2.8641   10.845   3.0550   1.2342   8.2299  796.287  126.776  536.715  239.767 259.5722 271.2203 
1 1 1   11   13   40 o  655.577  128.753   7.6345   2.5487   5.5491   2.6809   27.224   8.2168  546.196  151.466  1115.95  242.109 -569.7531 285.5842 
1 1 1   11   13   42 f  510.334  216.096   5.1813   5.9698   3.9010   7.9891   6.8001   8.9833  505.177  229.941  550.995  247.983 -45.81842 338.1841 
1 1 1   11   13   44 o  623.194  232.483   11.363   6.0875   16.576   9.4240   7.6304   7.9746  642.004  271.661  520.088  233.900 121.9153 358.4811 
1 1 1   11   13   46 o  634.734  235.981   13.932   6.2616   15.097   10.165   13.219   7.9486  541.143  251.028  558.868  243.137 -17.72491 349.4716 
1 1 1   11   13   48 o  316.079  156.828  -4.1033   5.9201  -2.7932   9.2435  -5.0144   7.7085  364.821  183.231  337.553  169.234 27.26865 249.4264 
1 1 1   11   13   50 o  292.943  148.074  -6.4157   6.6221  -1.8890   10.413  -9.4895   8.5808  ?   ?   ?   ?  0.000000      ? 
1 1 1   11   14    1 f  1248.83  145.373   25.233   5.5783   0.0000   0.0000   25.233   5.5783  ?   ?   1248.83  145.373 0.000000 145.3732 
1 1 1   11   14    3 o  823.094  114.331   10.942   2.8671   9.9760   4.3356   11.692   3.8221  770.758  182.471  842.885  150.331 -72.12634 236.4212 
1 1 1   11   14    5 o  2207.54  111.110   77.451   7.6557   88.060   10.945   67.286   10.713  2340.21  150.150  2036.87  169.505 303.3417 226.4444 
1 1 1   11   14    7 o  1978.35  108.482   62.230   6.6945   68.746   9.6074   56.079   9.3335  2065.80  149.536  1860.16  161.855 205.6332 220.3589 
1 1 1   11   14    9 o  866.015  128.885   12.209   3.3885   8.6743   4.7884   15.755   4.7956  717.407  203.667  976.655  162.527 -259.2484 260.5674 
1 1 1   11   14   11 o  317.378  135.490   0.0143   2.3803   3.5401   3.3660  -3.5126   3.3665  494.339  174.512  297.839  140.194 196.5004 223.8502 
1 1 1   11   14   13 o  1523.97  112.338   37.184   5.3229   33.697   7.5296   40.667   7.5258  1429.35  171.669  1579.24  154.156 -149.8939 230.7256 
1 1 1   11   14   15 o  1579.17  163.811   41.047   7.9822   41.047   7.9822   0.0000   0.0000  1579.17  163.811  ?   ?  0.000000 163.8111 
1 1 1   11   14   17 o  967.752  190.120   16.007   5.5556   16.007   5.5556   0.0000   0.0000  967.752  190.120  ?   ?  0.000000 190.1201 
1 1 1   11   14   19 o  315.755  148.154  -3.5485   3.7084  -3.5485   3.7084   0.0000   0.0000  315.755  148.154  ?   ?  0.000000 148.1544 
1 1 1   11   14   21 o  414.710  134.602   2.7042   1.9992   2.2948   2.3064   3.9410   4.0092  403.426  144.237  523.566  189.788 -120.1404 238.3776 
1 1 1   11   14   23 o  1214.40   99.577   23.617   3.7532   25.869   4.4496   18.064   6.9870  1267.29  113.328  1015.17  225.652 252.1235 252.5117 
1 1 1   11   14   25 o  1665.54   91.985   44.188   4.7786   44.933   5.6317   42.272   9.0305  1674.19  108.005  1588.49  185.023 85.70532 214.2395 
1 1 1   11   14   27 o  642.692  141.015   6.9487   2.7599   6.9487   2.7599   0.0000   0.0000  642.692  141.015  ?   ?  0.000000 141.0151 
1 1 1   11   14   29 f  644.584  118.726   6.8904   2.3080   4.6261   2.4746   22.030   6.3988  523.911  145.604  1133.88  186.726 -609.9638 236.7848 
1 1 1   11   14   31 o  2084.05  102.828   69.664   6.7102   71.900   7.9524   64.136   12.504  2104.36  121.200  1918.98  211.610 185.3835 243.8610 
1 1 1   11   14   33 o  1207.99  102.278   23.607   3.8324   25.722   4.3352   16.043   8.1983  1257.68  111.230  914.907  268.574 342.7701 290.6962 
1 1 1   11   14   35 o  554.134  137.908   5.2719   2.3834   3.8743   2.5752   13.619   6.2933  481.072  152.419  850.880  230.497 -369.8078 276.3334 
1 1 1   11   14   37 o  970.203  114.451   15.689   3.4100   17.590   3.8497   8.7634   7.3483  1023.57  122.549  679.851  255.070 343.7148 282.9828 
1 1 1   11   14   39 o  1017.31  114.236   17.575   3.5761   17.272   3.8859   19.251   9.1391  999.516  127.030  880.423  287.890 119.0934 314.6704 
1 1 1   11   14   41 o  816.336  127.497   11.920   3.1525   10.685   3.3439   21.787   9.4517  757.645  146.250  861.475  293.019 -103.8303 327.4896 
1 1 1   11   14   43 o  1044.43  214.261   25.058   6.7721   25.179   9.9077   24.953   9.2776  840.912  299.128  870.605  290.326 -29.69275 416.8532 
1 1 1   11   14   45 o  646.273  238.184   13.273   6.3521   13.774   10.295   12.966   8.0717  561.030  257.493  586.232  249.865 -25.20172 358.7961 
1 1 1   11   14   47 o  395.385  192.912   0.8054   7.7978   0.0000   0.0000   0.8054   7.7978  ?   ?   395.385  192.912 0.000000 192.9118 
1 1 1   11   14   49 o  460.524  220.525   13.456   9.0654   0.0000   0.0000   13.456   9.0654  ?   ?   460.524  220.525 0.000000 220.5252 
1 1 1   11   15    0 o  2321.12  110.054   85.316   7.9987  103.634   11.483   68.049   11.148  2543.84  144.757  2048.33  175.514 495.5127 227.5074 
1 1 1   11   15    2 o  1524.62  109.886   37.000   5.2108   37.080   7.2847   36.917   7.4566  1513.86  155.907  1509.14  160.247 4.720215 223.5752 
1 1 1   11   15    4 o  1546.28  109.596   38.065   5.2720   43.358   7.5202   32.949   7.3929  1640.09  148.030  1421.33  169.454 218.7600 225.0056 
1 1 1   11   15    6 o  2476.04  173.962   99.463   13.402   0.0000   0.0000   99.463   13.402  ?   ?   2476.04  173.962 0.000000 173.9623 
1 1 1   11   15    8 o  1101.96  173.195   20.070   5.7790   20.070   5.7790   0.0000   0.0000  1101.96  173.195  ?   ?  0.000000 173.1953 
1 1 1   11   15   10 o  1016.06  179.472   17.236   5.5012   17.236   5.5012   0.0000   0.0000  1016.06  179.472  ?   ?  0.000000 179.4721 
1 1 1   11   15   12 o  2237.96  170.358   81.887   11.848   81.887   11.848   0.0000   0.0000  2237.96  170.358  ?   ?  0.000000 170.3578 
1 1 1   11   15   14 o  685.891  204.205   7.9602   4.7121   7.9602   4.7121   0.0000   0.0000  685.891  204.205  ?   ?  0.000000 204.2051 
1 1 1   11   15   16 o  1414.55  116.586   32.170   5.1179   36.088   7.1386   28.025   7.3414  1484.09  155.947  1293.33  186.686 190.7635 243.2513 
1 1 1   11   15   18 o  452.070  186.060   1.3454   4.2429   1.3454   4.2429   0.0000   0.0000  452.070  186.060  ?   ?  0.000000 186.0601 
1 1 1   11   15   20 o  971.189  137.712   15.442   4.0706   9.5439   5.8434   21.003   5.6736  747.810  228.482  1125.62  165.952 -377.8083 282.3900 
1 1 1   11   15   22 o  434.418  171.092   1.8994   3.4202   4.5504   4.6706  -1.1658   5.0223  563.844  204.776  428.327  189.552 135.5172 279.0398 
1 1 1   11   15   24 o  836.802  237.193   12.265   6.4998   0.0000   0.0000   12.265   6.4998  ?   ?   836.802  237.193 0.000000 237.1927 
1 1 1   11   15   26 o  819.721  110.422   10.915   2.7621   9.3993   3.0409   18.066   6.6041  753.278  133.824  1019.76  213.664 -266.4811 252.1137 
1 1 1   11   15   28 o  1544.08  116.482   38.470   5.5903   38.470   5.5903   0.0000   0.0000  1544.08  116.482  ?   ?  0.000000 116.4823 
1 1 1   11   15   30 o  1201.56  120.868   23.490   4.4858   23.490   4.4858   0.0000   0.0000  1201.56  120.868  ?   ?  0.000000 120.8676 
1 1 1   11   15   32 o  948.257  111.988   14.658   3.2610   14.175   3.5796   17.014   7.9064  927.295  126.591  955.302  258.173 -28.00757 287.5387 
1 1 1   11   15   34 o  1816.26  104.844   53.344   5.9373   64.027   7.0823   28.081   10.891  1984.42  114.465  1187.43  294.375 796.9900 315.8463 
1 1 1   11   15   36 o  412.128  144.730   2.6371   2.3127   1.6018   2.4734   9.8347   6.5218  372.164  145.833  715.808  243.403 -343.6441 283.7468 
1 1 1   11   15   38 o  618.821  142.905   6.8366   2.7131   7.3684   2.9397   3.7806   7.0470  639.637  149.467  546.599  233.231 93.03754 277.0146 
1 1 1   11   15   40 o  487.087  149.429   4.3919   2.4965   4.4389   2.5952   3.8089   9.1362  488.878  152.752  547.634  247.939 -58.75592 291.2160 
1 1 1   11   15   42 o  231.219  103.829  -0.4301   1.5647  -0.5811   1.5934   3.6528   8.2858  228.497  103.489  506.474  231.919 -277.9771 253.9608 
1 1 1   11   15   44 o  514.793  230.663   6.7388   7.6779   0.0000   0.0000   6.7388   7.6779  ?   ?   514.793  230.663 0.000000 230.6634 
1 1 1   11   15   46 o  398.258  194.268  -1.0941   7.8947   0.0000   0.0000  -1.0941   7.8947  ?   ?   398.258  194.268 0.000000 194.2676 
1 1 1   11   15   48 o  339.014  167.732  -3.3004   6.5953   3.4498   10.690  -7.4494   8.3806  413.076  205.896  339.273  170.916 73.80276 267.5922 
1 1 1   11   16    1 o  2497.61  120.226   99.022   9.4024  106.437   13.292   91.595   13.302  2568.56  166.151  2375.78  180.158 192.7788 245.0776 
1 1 1   11   16    3 f  2237.99  168.316   81.040   11.709   81.040   11.709   0.0000   0.0000  2237.99  168.316  ?   ?  0.000000 168.3158 
1 1 1   11   16    5 o  314.776  142.449  -1.5913   3.0119  -1.5913   3.0119   0.0000   0.0000  314.776  142.449  ?   ?  0.000000 142.4492 
1 1 1   11   16    7 o  997.406  182.436   16.605   5.4877   16.605   5.4877   0.0000   0.0000  997.406  182.436  ?   ?  0.000000 182.4355 
1 1 1   11   16    9 o  1686.74  164.641   46.376   8.5848   46.376   8.5848   0.0000   0.0000  1686.74  164.641  ?   ?  0.000000 164.6415 
1 1 1   11   16   11 o  2034.65  168.163   67.525   10.618   67.525   10.618   0.0000   0.0000  2034.65  168.163  ?   ?  0.000000 168.1625 
1 1 1   11   16   13 o  609.410  204.895   5.8583   4.6209   5.8583   4.6209   0.0000   0.0000  609.410  204.895  ?   ?  0.000000 204.8947 
1 1 1   11   16   15 o  731.063  164.041   8.9773   3.6628   13.095   5.1340   4.7085   5.2273  878.359  192.023  584.737  215.965 293.6222 288.9869 
1 1 1   11   16   17 o  688.411  165.523   7.9669   3.5241   5.9654   5.0880   9.8126   4.8858  622.150  214.883  759.049  202.009 -136.8996 294.9277 
1 1 1   11   16   19 o  637.994  176.565   6.8236   3.6469   10.204   5.0769   3.2199   5.2421  773.549  205.946  542.765  212.408 230.7843 295.8560 
1 1 1   11   16   21 o  917.289  157.764   13.936   4.3680   9.6132   6.0152   18.758   6.3532  754.178  232.048  1052.99  200.000 -298.8157 306.3438 
1 1 1   11   16   23 o  793.089  182.020   10.670   4.4244   7.5376   5.9066   14.675   6.6784  684.441  231.645  917.908  232.191 -233.4675 327.9813 
1 1 1   11   16   25 o  672.386  198.881   7.6545   4.4805   6.3056   5.9695   9.3947   6.7805  645.539  231.916  748.343  248.133 -102.8046 339.6398 
1 1 1   11   16   27 o  724.547  197.316   9.0405   4.5975   8.0554   6.0134   10.426   7.1326  696.839  233.739  778.138  254.325 -81.29846 345.4208 
1 1 1   11   16   29 o  1413.14  114.202   32.191   5.0102   32.191   5.0102   0.0000   0.0000  1413.14  114.202  ?   ?  0.000000 114.2025 
1 1 1   11   16   31 o  795.232  130.898   10.480   3.1460   12.509   3.4751   1.2631   7.4065  870.125  131.661  556.333  238.288 313.7920 272.2422 
1 1 1   11   16   33 o  584.917  134.882   5.8008   2.4199   4.8793   2.5978   11.846   6.6535  535.478  149.316  802.528  243.501 -267.0499 285.6356 
1 1 1   11   16   35 f  427.191  142.531   2.9485   2.2360   2.3270   2.3854   7.4488   6.4188  401.150  146.243  653.124  239.624 -251.9733 280.7249 
1 1 1   11   16   37 o  935.664  133.825   15.045   3.8091   14.642   4.3978   16.258   7.6210  905.687  160.974  871.461  259.751 34.22607 305.5866 
1 1 1   11   16   39 o  399.726  148.365   2.4959   2.4731   3.3176   2.6373  -3.4913   7.1192  439.711  154.546  427.415  201.997 12.29578 254.3374 
1 1 1   11   16   41 o  699.904  155.261   9.3153   3.3136   8.4272   3.5364   15.705   9.4860  652.035  171.071  727.246  285.408 -75.21088 332.7506 
1 1 1   11   16   43 o  144.811   71.569  -2.4942   1.1891  -2.5409   1.2050  -0.7643   7.3346  145.482   71.928  430.152  203.808 -284.6696 216.1278 
1 1 1   11   16   45 o  383.716  139.068   2.7587   2.1525   2.9005   2.2304   0.8366   8.2132  391.029  141.587  436.492  209.252 -45.46317 252.6524 
1 1 1   11   16   47 o  501.917  224.074   9.0875   7.1753   21.103   10.833  -0.3030   9.5772  591.606  268.693  409.565  202.547 182.0413 336.4834 
1 1 1   11   17    0 o  292.330  137.554  -3.4079   3.2358  -3.4079   3.2358   0.0000   0.0000  292.330  137.554  ?   ?  0.000000 137.5543 
1 1 1   11   17    4 f  757.572  144.165   9.4669   3.2949   6.1443   4.5472   13.140   4.7808  621.616  203.062  886.906  178.333 -265.2901 270.2531 
1 1 1   11   17    6 o  1784.85  164.521   51.718   9.0913   0.0000   0.0000   51.718   9.0913  ?   ?   1784.85  164.521 0.000000 164.5213 
1 1 1   11   17    8 o  2098.91  117.429   70.227   7.6867   81.014   10.927   59.661   10.815  2239.62  156.810  1909.40  183.132 330.2209 241.0950 
1 1 1   11   17   10 o  1245.03  123.829   24.911   4.7634   22.658   6.6587   27.274   6.8170  1167.10  188.641  1288.17  173.413 -121.0623 256.2368 
1 1 1   11   17   12 o  1463.05  117.945   34.233   5.3573   33.038   7.4202   35.535   7.7430  1421.13  170.132  1474.21  170.907 -53.08545 241.1521 
1 1 1   11   17   14 o  672.891  168.596   7.5820   3.5450   5.9365   5.1498   9.0640   4.8872  624.905  216.166  733.433  204.904 -108.5281 297.8475 
1 1 1   11   17   16 o  371.137  156.862   0.2711   3.1362   7.3807   4.6166  -5.8217   4.2737  668.572  202.827  315.667  151.227 352.9049 252.9987 
1 1 1   11   17   18 o  631.919  181.819   6.6305   3.7911  -0.5857   5.3072   14.150   5.4174  455.821  198.488  916.320  194.810 -460.4996 278.1158 
1 1 1   11   17   20 o  795.049  239.768   10.706   6.4655   0.0000   0.0000   10.706   6.4655  ?   ?   795.049  239.768 0.000000 239.7678 
1 1 1   11   17   22 o  1279.18  206.538   27.520   7.9909   0.0000   0.0000   27.520   7.9909  ?   ?   1279.18  206.538 0.000000 206.5383 
1 1 1   11   17   24 f  860.509  187.879   12.565   4.9204   17.110   6.4499   6.2391   7.6100  998.874  212.738  680.096  258.569 318.7781 334.8359 
1 1 1   11   17   26 o  1579.72  135.758   40.388   6.6500   34.017   8.9136   48.386   9.9867  1418.54  206.755  1704.71  190.340 -286.1749 281.0280 
1 1 1   11   17   28 o  396.992  176.801  -1.3190   4.4379   0.9616   5.6331  -5.0508   7.2058  496.782  210.111  456.224  211.535 40.55765 298.1508 
1 1 1   11   17   30 o  490.211  216.248  -0.8539   6.4857  -0.8539   6.4857   0.0000   0.0000  490.211  216.248  ?   ?  0.000000 216.2476 
1 1 1   11   17   32 o  503.393  150.374   4.2373   2.5520   3.5749   2.7787   7.8086   6.4517  474.553  158.889  683.662  241.577 -209.1082 289.1455 
1 1 1   11   17   34 o  770.042  120.529   9.8907   2.8109   10.540   3.0684   6.5046   7.0098  792.448  128.021  640.691  247.031 151.7570 278.2335 
1 1 1   11   17   36 o  532.040  144.658   4.9776   2.4734   5.6158   2.6411   0.4262   7.0533  563.731  147.808  501.080  223.043 62.65082 267.5732 
1 1 1   11   17   38 o  215.679   98.776  -0.8897   1.5039  -0.6832   1.5348  -5.8582   7.5293  224.829  101.721  419.999  201.081 -195.1702 225.3462 
1 1 1   11   17   40 o  642.785  152.077   7.7013   3.0131   6.5598   3.1949   16.883   9.0610  584.140  166.546  791.300  285.552 -207.1595 330.5714 
1 1 1   11   17   42 f  298.022  127.668   0.4542   2.1266  -0.1003   2.1999   8.3558   8.3048  284.240  125.637  585.314  251.557 -301.0737 281.1863 
1 1 1   11   17   44 o  627.850  160.633   8.0462   3.1709   9.6933   3.3964  -3.1360   8.8496  692.627  159.848  426.381  207.477 266.2467 261.9121 
1 1 1   11   17   46 o  513.193  160.042   5.7389   2.8504   5.7389   2.8504   0.0000   0.0000  513.193  160.042  ?   ?  0.000000 160.0424 
1 1 1   11   18    1 f  1792.90  113.733   51.139   6.3519   50.790   8.8905   51.503   9.0784  1772.43  161.983  1784.10  164.356 -11.67212 230.7623 
1 1 1   11   18    3 o  404.657  156.402   1.7398   2.8151  -1.1769   3.8949   4.9302   4.0735  376.061  166.650  568.539  192.369 -192.4778 254.5150 
1 1 1   11   18    5 o  1639.53  114.620   42.807   5.8473   38.818   8.1770   46.982   8.3648  1544.42  172.009  1705.35  158.461 -160.9219 233.8739 
1 1 1   11   18    7 o  1394.29  168.902   31.665   7.2236   0.0000   0.0000   31.665   7.2236  ?   ?   1394.29  168.902 0.000000 168.9023 
1 1 1   11   18    9 o  612.310  204.232   5.8280   4.5910   5.8280   4.5910   0.0000   0.0000  612.310  204.232  ?   ?  0.000000 204.2321 
1 1 1   11   18   11 o  786.805  161.038   10.259   3.8338   2.1206   5.6270   17.310   5.2377  531.485  215.982  1026.04  168.904 -494.5568 274.1841 
1 1 1   11   18   13 o  1259.02  127.415   25.420   4.9539   22.817   7.0861   27.909   6.9284  1171.78  200.323  1307.28  173.547 -135.5012 265.0434 
1 1 1   11   18   15 o  658.623  181.177   7.2130   3.8534   0.4751   5.5706   13.396   5.3361  491.068  208.387  893.325  196.137 -402.2569 286.1723 
1 1 1   11   18   17 o  1486.59  125.214   35.346   5.7743   31.439   8.1427   39.299   8.1897  1380.99  193.627  1554.50  171.084 -173.5131 258.3818 
1 1 1   11   18   19 o  1157.64  212.739   22.536   7.4273   0.0000   0.0000   22.536   7.4273  ?   ?   1157.64  212.739 0.000000 212.7393 
1 1 1   11   18   21 o  618.467  198.354   6.1561   4.3511   3.3751   5.8457   9.6106   6.5153  567.776  223.658  761.356  242.570 -193.5794 329.9437 
1 1 1   11   18   25 o  1486.03  221.070   37.359   9.9733   0.0000   0.0000   37.359   9.9733  ?   ?   1486.03  221.070 0.000000 221.0700 
1 1 1   11   18   27 o  636.355  256.056   4.1343   7.8240   0.0000   0.0000   4.1343   7.8240  ?   ?   636.355  256.056 0.000000 256.0557 
1 1 1   11   18   29 o  822.613  252.575   11.894   7.1307   0.0000   0.0000   11.894   7.1307  ?   ?   822.613  252.575 0.000000 252.5746 
1 1 1   11   18   31 o  1274.90  124.676   26.487   4.9134   30.652   6.0286   18.247   8.4795  1364.09  143.283  990.584  267.224 373.5055 303.2142 
1 1 1   11   18   33 o  644.456  193.667   7.3491   4.2237   9.4976   5.1959   3.1636   7.2522  723.058  214.242  575.471  240.596 147.5873 322.1588 
1 1 1   11   18   35 o  359.887  138.467   1.6050   2.1987   1.4917   2.3150   2.6484   7.0249  360.281  141.111  545.307  232.778 -185.0269 272.2087 
1 1 1   11   18   37 o  561.090  140.161   5.5781   2.4553   6.3821   2.5886  -1.6304   7.7511  600.636  140.192  481.869  221.996 118.7672 262.5566 
1 1 1   11   18   39 o  518.039  140.390   4.8492   2.3341   4.9709   2.4357   3.4810   8.1657  523.180  144.095  547.479  242.020 -24.29907 281.6680 
1 1 1   11   18   41 o  881.703  143.047   14.154   3.8140   14.154   3.8140   0.0000   0.0000  881.703  143.047  ?   ?  0.000000 143.0473 
1 1 1   11   18   43 o  479.637  231.518  -1.3298   10.474  -1.3298   10.474   0.0000   0.0000  479.637  231.518  ?   ?  0.000000 231.5179 
1 1 1   11   18   45 o  410.001  153.835   3.1787   2.6730   3.1787   2.6730   0.0000   0.0000  410.001  153.835  ?   ?  0.000000 153.8350 
1 1 1   11   19    0 o  320.560  149.688  -3.4796   3.7099   0.0000   0.0000  -3.4796   3.7099  ?   ?   320.560  149.688 0.000000 149.6882 
1 1 1   11   19    2 f  365.744  164.741  -1.8972   3.9738   0.0000   0.0000  -1.8972   3.9738  ?   ?   365.744  164.741 0.000000 164.7406 
1 1 1   11   19    4 o  777.213  215.450   10.096   5.4254   10.096   5.4254   0.0000   0.0000  777.213  215.450  ?   ?  0.000000 215.4503 
1 1 1   11   19    6 o  739.932  165.253   9.0803   3.7321   7.6801   5.3562   10.402   5.2030  691.816  219.886  788.190  207.844 -96.37329 302.5706 
1 1 1   11   19    8 o  712.304  166.644   8.4239   3.6507   6.4698   5.1077   10.465   5.2200  646.531  215.408  790.620  208.039 -144.0896 299.4677 
1 1 1   11   19   10 o  543.714  211.023   3.1632   5.1413   3.1632   5.1413   0.0000   0.0000  543.714  211.023  ?   ?  0.000000 211.0229 
1 1 1   11   19   12 o  1064.71  142.226   18.324   4.6231   21.849   6.6836   15.091   6.4016  1151.03  192.219  946.468  220.158 204.5634 292.2633 
1 1 1   11   19   14 o  531.072  185.922   4.0691   3.8151   11.675   5.4606  -3.1837   5.3324  833.306  209.501  411.034  187.386 422.2720 281.0774 
1 1 1   11   19   16 o  967.082  161.647   15.340   4.7222   16.859   6.5969   13.744   6.7625  1000.22  216.881  899.643  236.821 100.5809 321.1254 
1 1 1   11   19   18 o  1022.72  237.173   17.838   7.4477   0.0000   0.0000   17.838   7.4477  ?   ?   1022.72  237.173 0.000000 237.1734 
1 1 1   11   19   20 f  1161.60  238.354   22.992   8.3789   0.0000   0.0000   22.992   8.3789  ?   ?   1161.60  238.354 0.000000 238.3541 
1 1 1   11   19   24 o  518.967  226.768  -0.7540   6.9809   0.0000   0.0000  -0.7540   6.9809  ?   ?   518.967  226.768 0.000000 226.7685 
1 1 1   11   19   26 f  771.583  213.148   10.163   5.3203   14.828   6.9013   3.3285   8.3528  924.175  237.267  636.949  261.477 287.2263 353.0807 
1 1 1   11   19   28 o  871.452  164.878   12.734   4.3343   9.7605   5.2035   19.470   7.8329  753.033  211.802  1051.40  242.824 -298.3668 322.2164 
1 1 1   11   19   30 o  490.297  201.581   1.8786   4.9738   11.860   7.0898  -7.7945   6.9795  813.581  252.189  410.882  195.857 402.6996 319.3112 
1 1 1   11   19   32 o  565.863  198.041   5.1910   4.3285   3.6669   5.4177   7.8811   7.1975  543.233  214.892  686.657  253.455 -143.4244 332.2920 
1 1 1   11   19   34 f  383.047  176.793  -2.7427   4.9489 -12.8594   7.4457   5.2639   6.6238  370.865  182.489  598.655  237.359 -227.7906 299.4025 
1 1 1   11   19   36 o  802.437  216.317   12.480   5.5588   12.480   5.5588   0.0000   0.0000  802.437  216.317  ?   ?  0.000000 216.3172 
1 1 1   11   19   38 o  444.485  149.058   3.3799   2.4455   3.3799   2.4455   0.0000   0.0000  444.485  149.058  ?   ?  0.000000 149.0581 
1 1 1   11   19   40 o  467.281  159.847   3.9045   2.8129   3.9045   2.8129   0.0000   0.0000  467.281  159.847  ?   ?  0.000000 159.8467 
1 1 1   11   19   42 o  808.068  253.876   16.309   7.1578   16.050   11.344   16.481   9.2264  706.218  298.397  750.379  284.848 -44.16028 412.5283 
1 1 1   11   19   44 o  562.888  239.590   8.1379   7.4033   11.596   10.926   5.2019   10.067  598.331  270.991  526.143  245.983 72.18854 365.9839 
1 1 1   11   20    1 o  1162.23  185.867   22.109   6.5362   0.0000   0.0000   22.109   6.5362  ?   ?   1162.23  185.867 0.000000 185.8665 
1 1 1   11   20    3 f  824.619  159.402   11.169   3.9670   15.680   5.7609   7.1009   5.4707  972.630  195.930  675.898  222.824 296.7320 296.7139 
1 1 1   11   20    5 o  518.768  179.224   3.9129   3.5395   7.1708   5.1193   0.9289   4.8993  672.728  215.089  476.483  198.357 196.2446 292.5894 
1 1 1   11   20    7 f  549.687  180.178   4.6519   3.5789  -2.1472   5.0307   11.619   5.0926  416.094  186.556  834.929  197.826 -418.8347 271.9165 
1 1 1   11   20    9 o  611.038  187.767   5.9941   3.9399  -2.4580   5.7631   13.411   5.3985  444.486  199.453  897.479  197.465 -452.9932 280.6669 
1 1 1   11   20   11 o  670.237  187.778   7.4067   4.0984   13.903   5.9692   1.6129   5.6371  910.986  213.062  522.297  214.653 388.6896 302.4422 
1 1 1   11   20   13 o  1449.45  131.394   33.559   5.8986   39.730   8.3725   27.477   8.3116  1567.32  173.512  1288.57  213.469 278.7507 275.0911 
1 1 1   11   20   15 o  687.955  242.079   6.9681   6.4720   0.0000   0.0000   6.9681   6.4720  ?   ?   687.955  242.079 0.000000 242.0786 
1 1 1   11   20   17 o  993.991  243.393   16.812   7.5149   0.0000   0.0000   16.812   7.5149  ?   ?   993.991  243.393 0.000000 243.3934 
1 1 1   11   20   19 o  623.700  242.417   4.3375   6.7923   0.0000   0.0000   4.3375   6.7923  ?   ?   623.700  242.417 0.000000 242.4169 
1 1 1   11   20   21 o  695.275  210.749   7.9569   4.9859   9.4176   6.6312   6.0571   7.5625  760.584  244.970  684.290  258.337 76.29388 356.0170 
1 1 1   11   20   23 o  483.791  200.308   1.2651   4.9575  -2.3910   6.2849   7.2861   8.0654  464.918  208.478  723.043  268.020 -258.1246 339.5549 
1 1 1   11   20   25 o  1086.00  261.102   20.612   8.7695   0.0000   0.0000   20.612   8.7695  ?   ?   1086.00  261.102 0.000000 261.1023 
1 1 1   11   20   27 o  666.072  194.507   7.4851   4.3100   3.9090   5.2878   14.563   7.4394  561.235  215.020  909.042  252.394 -347.8065 331.5665 
1 1 1   11   20   29 o  505.128  192.123   3.2769   4.2024   1.2208   5.1820   7.2271   7.1825  482.832  202.719  685.427  253.153 -202.5948 324.3163 
1 1 1   11   20   31 o  775.080  223.384   10.860   5.7183   10.860   5.7183   0.0000   0.0000  775.080  223.384  ?   ?  0.000000 223.3841 
1 1 1   11   20   33 o  639.728  264.078   5.2502   8.5792   5.2502   8.5792   0.0000   0.0000  639.728  264.078  ?   ?  0.000000 264.0782 
1 1 1   11   20   35 o  702.895  219.806   9.3511   5.3725   9.3511   5.3725   0.0000   0.0000  702.895  219.806  ?   ?  0.000000 219.8059 
1 1 1   11   20   37 o  620.258  223.205   7.2032   5.5317   7.2032   5.5317   0.0000   0.0000  620.258  223.205  ?   ?  0.000000 223.2054 
1 1 1   11   20   39 o  455.724  194.211   1.9152   4.8752  -0.5525   5.5504   10.246   10.198  427.362  193.391  684.807  285.723 -257.4446 345.0184 
1 1 1   11   20   41 o  502.913  230.186   1.1735   8.1501  -3.2274   11.028   6.4710   12.099  505.476  242.360  609.640  279.558 -104.1636 369.9882 
1 1 1   11   21    0 o  388.151  164.952   0.0863   3.4990  -9.7640   4.9551   9.8832   4.9417  307.967  151.002  771.963  202.075 -463.9960 252.2614 
1 1 1   11   21    2 o  598.561  185.637   5.6993   3.8410   2.1238   5.6549   8.7619   5.2335  536.981  217.117  731.931  214.506 -194.9506 305.2090 
1 1 1   11   21    4 o  645.678  185.961   6.8038   3.9640   13.265   5.7959   1.1250   5.4336  892.234  210.805  504.179  209.306 388.0555 297.0654 
1 1 1   11   21    6 o  731.368  183.681   8.8629   4.2007   3.5088   6.1806   13.459   5.7267  589.475  230.652  898.959  207.631 -309.4840 310.3405 
1 1 1   11   21    8 o  459.273  183.492   1.7321   3.9868  -5.2839   5.6840   8.5264   5.5935  396.942  185.331  726.432  223.809 -329.4899 290.5820 
1 1 1   11   21   10 o  736.117  230.832   8.7175   5.9204   0.0000   0.0000   8.7175   5.9204  ?   ?   736.117  230.832 0.000000 230.8316 
1 1 1   11   21   12 o  1000.72  231.097   16.826   7.0952   0.0000   0.0000   16.826   7.0952  ?   ?   1000.72  231.097 0.000000 231.0973 
1 1 1   11   21   14 o  1202.64  228.001   24.132   8.2718   0.0000   0.0000   24.132   8.2718  ?   ?   1202.64  228.001 0.000000 228.0006 
1 1 1   11   21   16 o  580.665  206.870   4.7427   4.7404   9.0001   6.4194  -0.3629   7.0299  749.407  240.991  533.612  230.395 215.7953 333.4043 
1 1 1   11   21   18 o  920.205  194.852   14.113   5.4396   2.9343   7.1108   29.884   8.4458  602.524  243.520  1346.31  206.972 -743.7895 319.5925 
1 1 1   11   21   20 o  785.845  216.399   10.348   5.4939   12.968   7.1405   6.5466   8.6008  876.266  248.690  721.939  274.789 154.3267 370.6154 
1 1 1   11   21   22 o  491.318  203.758   1.2340   5.1418  -2.3303   6.8079   5.9669   7.8449  488.219  218.089  688.760  262.370 -200.5418 341.1754 
1 1 1   11   21   24 o  428.475  179.498   0.6792   4.0482   3.5728   4.8064  -6.3834   7.5090  541.017  205.541  456.593  213.126 84.42404 296.0908 
1 1 1   11   21   26 o  1095.14  268.680   21.364   9.1440   21.364   9.1440   0.0000   0.0000  1095.14  268.680  ?   ?  0.000000 268.6796 
1 1 1   11   21   28 o  1371.55  162.018   31.175   6.8237   31.175   6.8237   0.0000   0.0000  1371.55  162.018  ?   ?  0.000000 162.0183 
1 1 1   11   21   30 o  834.155  226.648   12.554   6.0741   12.554   6.0741   0.0000   0.0000  834.155  226.648  ?   ?  0.000000 226.6482 
1 1 1   11   21   32 o  1028.52  199.631   18.791   6.1974   18.791   6.1974   0.0000   0.0000  1028.52  199.631  ?   ?  0.000000 199.6313 
1 1 1   11   21   34 o  506.654  196.464   3.5201   4.4532   8.9880   5.2575 -10.3641   8.3778  697.553  217.326  423.601  205.115 273.9520 298.8359 
1 1 1   11   21   36 o  767.080  204.847   11.101   5.0130   11.557   5.8820   9.8915   9.5831  769.726  227.920  719.009  285.366 50.71698 365.2138 
1 1 1   11   21   38 o  563.366  213.922   5.4782   5.2047   3.3217   5.9973   12.058   10.476  522.466  218.645  738.798  296.636 -216.3316 368.5086 
1 1 1   11   21   40 o  445.077  210.046  -3.5143   7.6480  -8.1106   10.397   1.9046   11.290  467.799  226.995  574.083  265.686 -106.2839 349.4506 
1 1 1   11   22    3 o  853.773  171.270   11.980   4.4194   18.176   6.2578   5.8149   6.2422  1050.93  197.413  654.451  236.881 396.4811 308.3577 
1 1 1   11   22    5 o  461.754  203.094  -1.3814   5.6809   0.0000   0.0000  -1.3814   5.6809  ?   ?   461.754  203.094 0.000000 203.0936 
1 1 1   11   22    7 o  493.083  207.331   0.6357   5.4336   0.0000   0.0000   0.6357   5.4336  ?   ?   493.083  207.331 0.000000 207.3312 
1 1 1   11   22    9 o  1032.96  240.943   17.891   7.6503   0.0000   0.0000   17.891   7.6503  ?   ?   1032.96  240.943 0.000000 240.9427 
1 1 1   11   22   11 o  1174.55  159.632   22.292   5.7188   15.608   7.8774   29.741   8.3156  963.674  256.522  1348.68  203.218 -385.0088 327.2629 
1 1 1   11   22   13 o  678.397  213.689   7.3354   5.0674   10.757   6.8864   3.2943   7.4835  811.482  248.053  624.868  250.778 186.6138 352.7322 
1 1 1   11   22   15 o  783.599  215.575   10.198   5.4552   9.3881   7.1587   11.321   8.4245  772.841  254.898  842.910  276.444 -70.06866 376.0244 
1 1 1   11   22   17 o  324.052  155.285  -6.2823   4.5129  -5.3507   5.7246  -7.8117   7.3350  397.393  185.693  436.930  206.049 -39.53659 277.3771 
1 1 1   11   22   19 f  820.911  218.761   11.302   5.7249   10.046   7.6607   12.892   8.6156  795.209  263.750  883.487  278.672 -88.27771 383.6952 
1 1 1   11   22   21 o  890.251  264.432   13.409   7.9083   13.409   7.9083   0.0000   0.0000  890.251  264.432  ?   ?  0.000000 264.4322 
1 1 1   11   22   23 o  676.759  258.631   5.8147   7.6384   5.8147   7.6384   0.0000   0.0000  676.759  258.631  ?   ?  0.000000 258.6313 
1 1 1   11   22   25 o  668.102  258.560   5.6428   7.7015   5.6428   7.7015   0.0000   0.0000  668.102  258.560  ?   ?  0.000000 258.5596 
1 1 1   11   22   27 o  746.012  194.229   9.5939   4.5815   8.9219   5.4842   11.146   8.3355  721.044  221.523  806.036  275.168 -84.99103 353.2567 
1 1 1   11   22   29 o  750.343  233.641   9.9276   6.0774   11.260   8.6168   8.6085   8.5730  800.401  279.461  735.659  275.605 64.74213 392.5000 
1 1 1   11   22   31 o  402.494  177.891  -0.7311   4.4095   0.5715   5.4017  -3.3329   7.6343  470.915  202.644  484.810  222.224 -13.89505 300.7462 
1 1 1   11   22   33 o  576.669  223.806   4.7384   5.7829   4.7384   5.7829   0.0000   0.0000  576.669  223.806  ?   ?  0.000000 223.8062 
1 1 1   11   22   35 f  297.399  145.514  -7.7231   4.5296  -3.8981   5.2535 -18.8037   8.9416  378.206  177.099  379.663  189.092 -1.456635 259.0746 
1 1 1   11   22   37 o  854.005  216.595   14.046   5.8006   8.8225   6.7806   28.300   11.202  678.371  246.677  1118.15  309.441 -439.7761 395.7318 
1 1 1   11   22   39 o  582.870  252.466   4.3416   8.4955   10.940   11.997  -2.2942   12.032  714.174  304.516  560.135  264.073 154.0391 403.0691 
1 1 1   11   23    2 o  929.992  232.367   14.404   6.7473   0.0000   0.0000   14.404   6.7473  ?   ?   929.992  232.367 0.000000 232.3668 
1 1 1   11   23    4 o  717.840  240.770   7.8352   6.3806   0.0000   0.0000   7.8352   6.3806  ?   ?   717.840  240.770 0.000000 240.7697 
1 1 1   11   23    6 o  978.627  187.785   15.731   5.5451   18.840   7.8934   12.703   7.7914  1062.19  242.641  880.152  262.708 182.0388 357.6169 
1 1 1   11   23    8 o  563.853  235.212   1.2386   6.9092   0.0000   0.0000   1.2386   6.9092  ?   ?   563.853  235.212 0.000000 235.2119 
1 1 1   11   23   10 o  885.813  271.457   12.807   8.2412   0.0000   0.0000   12.807   8.2412  ?   ?   885.813  271.457 0.000000 271.4575 
1 1 1   11   23   12 o  713.762  221.813   8.1597   5.4807   9.7175   7.5356   6.4103   7.9858  789.961  261.568  711.881  266.135 78.08075 373.1569 
1 1 1   11   23   14 o  1146.73  180.894   21.441   6.2800   29.387   8.6015   12.369   9.1904  1338.25  212.359  881.166  288.725 457.0830 358.4105 
1 1 1   11   23   16 o  1044.89  186.656   17.952   5.8829   17.952   5.8829   0.0000   0.0000  1044.89  186.656  ?   ?  0.000000 186.6559 
1 1 1   11   23   18 o  495.156  205.833   1.1028   5.2648   1.1028   5.2648   0.0000   0.0000  495.156  205.833  ?   ?  0.000000 205.8334 
1 1 1   11   23   20 o  543.860  215.511   2.8210   5.4577   2.8210   5.4577   0.0000   0.0000  543.860  215.511  ?   ?  0.000000 215.5114 
1 1 1   11   23   22 o  572.492  203.717   4.7298   4.5956   0.2782   5.5788   14.129   8.1064  485.570  207.362  905.862  267.390 -420.2922 338.3730 
1 1 1   11   23   24 o  313.647  150.910  -6.2691   4.3625  -7.3150   5.4019  -4.3078   7.3971  352.896  169.315  476.892  218.650 -123.9965 276.5419 
1 1 1   11   23   26 o  984.456  214.194   16.782   6.4149   23.573   9.1194   10.130   9.0255  1149.66  259.483  790.872  285.054 358.7892 385.4702 
1 1 1   11   23   28 o  319.098  157.466 -11.6916   5.6791 -28.0467   8.5869   1.0244   7.5716  330.740  167.311  559.927  240.408 -229.1878 292.8972 
1 1 1   11   23   30 o  758.664  244.166   10.233   6.5887   4.6578   9.3463   15.741   9.2896  664.378  275.053  912.622  289.527 -248.2435 399.3496 
1 1 1   11   23   32 o  1320.14  147.570   29.074   5.9957   35.862   7.3583   15.666   10.342  1457.49  164.088  893.511  306.493 563.9790 347.6536 
1 1 1   11   23   34 o  269.346  135.768 -15.9265   5.3327 -15.9265   5.3327   0.0000   0.0000  269.346  135.768  ?   ?  0.000000 135.7685 
1 1 1   11   23   36 o  755.458  225.778   10.887   5.7521   13.959   6.6065   1.2614   11.694  846.094  238.891  623.991  281.691 222.1035 369.3491 
1 1 1   11   24    1 o  522.057  208.791   2.1896   5.1677  -6.9343   8.1091   8.4289   6.7058  481.540  223.666  742.526  246.789 -260.9854 333.0634 
1 1 1   11   24    3 o  1183.12  177.031   22.661   6.3568   33.221   9.5576   14.284   8.5127  1426.98  221.048  932.224  273.680 494.7594 351.7998 
1 1 1   11   24    5 o  545.699  216.550   2.5964   5.5177   20.941   8.5133 -10.6914   7.2456  1121.33  248.953  404.464  194.577 716.8635 315.9710 
1 1 1   11   24    7 o  476.049  205.733  -0.5633   5.6160  -7.1370   8.5840   4.3560   7.4257  497.180  230.651  650.395  253.280 -153.2150 342.5650 
1 1 1   11   24    9 o  1600.22  223.404   41.717   10.889   0.0000   0.0000   41.717   10.889  ?   ?   1600.22  223.404 0.000000 223.4042 
1 1 1   11   24   11 o  1015.58  277.719   17.292   9.0856   17.292   9.0856   0.0000   0.0000  1015.58  277.719  ?   ?  0.000000 277.7189 
1 1 1   11   24   13 o  927.688  212.871   14.328   6.0524   14.328   6.0524   0.0000   0.0000  927.688  212.871  ?   ?  0.000000 212.8710 
1 1 1   11   24   15 o  780.542  228.602   10.040   5.9457   10.040   5.9457   0.0000   0.0000  780.542  228.602  ?   ?  0.000000 228.6025 
1 1 1   11   24   17 o  893.968  194.413   13.324   5.2870   17.471   6.1360   1.3703   10.418  1025.73  198.216  672.567  285.166 353.1650 347.2883 
1 1 1   11   24   19 o  972.625  179.871   15.669   5.2762   14.200   6.3210   19.045   9.5812  915.495  222.647  1048.72  284.536 -133.2275 361.2925 
1 1 1   11   24   21 o  555.118  204.103   4.1459   4.6604   5.5690   5.6784   1.2091   8.1570  625.274  225.990  595.626  252.428 29.64746 338.8087 
1 1 1   11   24   23 o  459.454  192.853   0.8180   4.6879  -1.3028   5.7018   5.2425   8.2354  457.382  202.212  674.275  265.511 -216.8929 333.7450 
1 1 1   11   24   25 o  824.942  232.750   11.815   6.2736   6.6376   9.2480   16.230   8.5388  720.691  282.100  954.263  272.344 -233.5714 392.1119 
1 1 1   11   24   27 o  1116.97  204.895   21.398   6.9021   17.365   9.6477   25.626   9.8786  973.178  292.754  1190.33  271.103 -217.1546 399.0003 
1 1 1   11   24   29 o  816.239  244.885   11.901   6.7573   10.857   9.9822   12.785   9.1805  806.165  298.303  845.472  288.779 -39.30658 415.1844 
1 1 1   11   24   31 o  540.080  230.670   1.3703   6.9050   8.0847   9.6979  -5.5336   9.8339  734.533  288.479  530.020  246.225 204.5130 379.2715 
1 1 1   11   24   33 o  676.706  253.895   7.4365   7.2808   5.9906   10.227   8.9224   10.368  692.467  287.288  747.628  296.788 -55.16022 413.0583 
1 1 1   11   24   35 o  883.480  248.708   15.067   7.1717   15.067   7.1717   0.0000   0.0000  883.480  248.708  ?   ?  0.000000 248.7083 
1 1 1   11   25    0 o  877.977  269.750   12.433   8.1319   0.0000   0.0000   12.433   8.1319  ?   ?   877.977  269.750 0.000000 269.7498 
1 1 1   11   25    2 o  555.683  237.310   0.0001   7.3070   0.0000   0.0000   0.0001   7.3070  ?   ?   555.683  237.310 0.000000 237.3104 
1 1 1   11   25    4 o  696.487  247.625   6.7751   6.7888   16.509   11.354   1.3583   8.4696  1010.94  320.012  621.250  259.896 389.6918 412.2543 
1 1 1   11   25    6 o  1193.34  308.047   24.018   11.589   24.018   11.589   0.0000   0.0000  1193.34  308.047  ?   ?  0.000000 308.0471 
1 1 1   11   25    8 o  762.385  290.457   6.8731   9.6153   6.8731   9.6153   0.0000   0.0000  762.385  290.457  ?   ?  0.000000 290.4567 
1 1 1   11   25   10 o  550.999  224.692   1.9709   6.1167   1.9709   6.1167   0.0000   0.0000  550.999  224.692  ?   ?  0.000000 224.6917 
1 1 1   11   25   12 o  517.828  205.608   2.3654   4.9768   0.1239   5.7292   9.2584   10.047  493.845  210.498  819.410  299.915 -325.5652 366.4128 
1 1 1   11   25   14 o  343.953  163.276  -5.7427   4.7510  -2.0330   5.5566 -15.8266   9.1612  442.880  197.491  432.092  210.441 10.78827 288.5971 
1 1 1   11   25   16 o  630.140  216.886   5.9346   5.1811   4.2643   6.1419   10.056   9.6475  605.257  231.770  824.302  294.966 -219.0446 375.1301 
1 1 1   11   25   18 o  446.825  192.345  -0.1920   4.8700  -1.0755   5.8877   1.7219   8.6656  473.168  207.466  624.266  262.126 -151.0982 334.2941 
1 1 1   11   25   20 o  654.030  212.012   6.8471   4.9609   4.7855   6.2494   10.359   8.1573  618.167  234.486  803.288  272.221 -185.1207 359.2880 
1 1 1   11   25   22 o  1073.09  170.861   19.025   5.5486   21.247   6.7362   14.335   9.7856  1126.03  198.293  915.654  297.826 210.3739 357.8000 
1 1 1   11   25   24 o  441.726  193.523  -0.7735   5.1137   4.8926   6.2890 -11.8302   8.7852  617.073  234.950  445.188  214.189 171.8846 317.9286 
1 1 1   11   25   26 o  734.598  217.742   9.2260   5.3663   10.958   6.8178   6.4060   8.7000  797.040  247.346  703.482  274.097 93.55768 369.2011 
1 1 1   11   25   28 o  737.990  249.646   9.1421   6.8603   2.5440   9.5319   16.233   9.8814  643.546  272.813  942.050  298.580 -298.5048 404.4463 
1 1 1   11   25   30 o  640.026  224.657   6.5749   5.5721  -1.8121   6.6775   25.806   10.111  479.456  214.951  1179.24  278.317 -699.7883 351.6594 
1 1 1   11   25   32 o  707.552  228.925   8.7836   5.7860   4.4144   7.0319   17.943   10.181  606.326  243.179  960.283  302.939 -353.9569 388.4689 
1 1 1   11   26    3 o  751.079  298.302   5.2282   10.478   5.2282   10.478   0.0000   0.0000  751.079  298.302  ?   ?  0.000000 298.3024 
1 1 1   11   26    5 o  844.294  256.745   11.573   7.3910   11.573   7.3910   0.0000   0.0000  844.294  256.745  ?   ?  0.000000 256.7445 
1 1 1   11   26    7 o  1009.19  239.557   17.014   7.4567   21.286   10.422   12.533   10.673  1122.71  293.259  906.468  311.331 216.2406 427.7010 
1 1 1   11   26    9 o  1062.52  184.440   18.478   5.9137   17.735   7.1338   20.113   10.574  1031.38  227.044  1090.40  300.191 -59.01465 376.3827 
1 1 1   11   26   11 o  870.993  233.144   12.674   6.4844   12.674   6.4844   0.0000   0.0000  870.993  233.144  ?   ?  0.000000 233.1437 
1 1 1   11   26   13 o  968.427  197.043   15.564   5.7718   21.917   6.7502  -1.7122   11.131  1154.78  193.529  649.664  285.046 505.1142 344.5355 
1 1 1   11   26   15 o  603.732  218.679   4.9982   5.3212   6.3888   6.2317   1.2551   10.224  666.899  237.232  665.260  282.311 1.639465 368.7526 
1 1 1   11   26   17 o  939.804  199.049   14.770   5.6752   14.932   6.8541   14.418   10.121  938.272  234.068  932.072  302.877 6.199707 382.7819 
1 1 1   11   26   19 o  879.828  205.213   13.053   5.5498   18.411   6.8310   2.6498   9.5186  1045.20  215.869  664.330  276.513 380.8677 350.7977 
1 1 1   11   26   21 o  767.059  249.586   9.6269   6.8721   4.1856   9.8889   14.709   9.5568  698.598  285.380  927.789  293.590 -229.1909 409.4347 
1 1 1   11   26   23 o  375.171  176.760  -5.5257   5.3749  -4.5772   6.6556  -7.3041   9.1137  445.196  205.319  504.197  235.162 -59.00137 312.1812 
1 1 1   11   26   25 o  467.305  201.584  -0.0666   5.3718  -4.4583   6.7913   7.2732   8.7798  450.911  207.757  728.612  277.560 -277.7006 346.7025 
1 1 1   11   26   27 o  669.918  227.233   7.2346   5.6839   3.5010   7.0948   13.925   9.4973  601.588  243.210  890.618  293.587 -289.0294 381.2402 
1 1 1   11   26   29 o  644.111  246.421   5.6513   6.9389   6.5715   9.8740   4.7534   9.7534  723.030  288.806  686.700  282.300 36.32965 403.8594 
1 1 1   11   26   31 o  738.308  263.440   9.1038   7.6902   6.9195   10.163   12.030   11.763  726.221  291.966  844.168  321.345 -117.9468 434.1735 
1 1 1   11   27    0 o  1011.66  251.665   17.099   7.9394   24.108   11.872   11.429   10.678  1193.77  313.564  882.971  310.923 310.8029 441.5829 
1 1 1   11   27    2 o  592.506  226.618   3.9332   5.8675   13.155   7.4071 -11.6004   9.6136  891.886  253.349  487.497  231.664 404.3886 343.2981 
1 1 1   11   27    4 o  593.743  240.030   2.6211   6.9103   3.4946   10.070   1.8438   9.4998  706.389  288.209  660.459  275.683 45.92993 398.8304 
1 1 1   11   27    6 o  1382.25  297.814   32.322   12.510   0.0000   0.0000   32.322   12.510  ?   ?   1382.25  297.814 0.000000 297.8139 
1 1 1   11   27    8 o  704.391  230.637   7.7262   5.8648   9.6043   6.8716   2.6885   11.254  777.256  249.271  722.607  300.710 54.64972 390.5925 
1 1 1   11   27   10 o  711.463  248.586   7.4233   6.8186   7.4233   6.8186   0.0000   0.0000  711.463  248.586  ?   ?  0.000000 248.5857 
1 1 1   11   27   12 o  375.884  176.362  -5.2897   5.2544  -7.0861   6.1639  -0.5141   10.050  395.200  187.127  634.854  274.788 -239.6541 332.4535 
1 1 1   11   27   14 o  1010.68  195.600   16.927   5.9664   21.675   7.2669   7.1089   10.451  1142.83  210.840  777.912  301.161 364.9225 367.6291 
1 1 1   11   27   16 o  696.253  219.835   7.8042   5.3606   2.8680   6.7996   15.910   8.7133  591.085  238.401  967.265  274.786 -376.1796 363.7888 
1 1 1   11   27   18 o  695.564  221.196   7.7978   5.4197   17.291   6.7897  -8.8730   8.9973  1012.74  220.372  487.444  229.366 525.2939 318.0764 
1 1 1   11   27   20 o  330.020  160.293  -8.7330   5.2182  -7.9122   6.7260  -9.9740   8.2702  407.900  193.819  447.898  213.419 -39.99847 288.2938 
1 1 1   11   27   22 o  654.769  231.423   6.3709   5.9211  -3.3622   7.3695   24.097   9.9454  492.723  222.915  1175.14  275.133 -682.4120 354.1034 
1 1 1   11   27   24 o  420.639  190.578  -2.6657   5.4089  -6.2835   6.6738   4.2594   9.2334  423.296  198.657  680.264  276.582 -256.9680 340.5322 
1 1 1   11   27   26 o  396.406  189.373  -8.1863   6.6003   0.2233   9.4664 -16.1421   9.2075  613.029  266.016  424.545  207.671 188.4842 337.4782 
1 1 1   11   27   28 o  781.226  263.597   10.256   7.6483   1.0617   10.448   20.873   11.227  647.959  280.318  1061.94  314.981 -413.9773 421.6529 
1 1 1   11   28    1 o  841.390  241.099   11.663   6.6785  -1.3012   8.1993   37.220   11.512  564.090  246.143  1500.66  254.062 -936.5716 353.7423 
1 1 1   11   28    3 o  1501.29  159.779   36.103   7.3956   45.009   9.2297   20.129   12.361  1673.76  178.878  1097.74  331.636 576.0135 376.8023 
1 1 1   11   28    5 o  606.189  252.848   1.5182   7.9831 -11.7505   11.028   16.125   11.571  534.655  252.292  998.706  323.799 -464.0513 410.4841 
1 1 1   11   28    7 o  1032.28  215.158   17.684   6.7291   20.041   7.9785   11.876   12.525  1095.19  239.342  917.916  335.033 177.2704 411.7423 
1 1 1   11   28    9 o  621.705  253.247   2.7094   7.7595  -3.0960   10.880   8.7184   11.069  625.828  277.874  827.666  312.528 -201.8385 418.1961 
1 1 1   11   28   11 o  421.066  198.690  -7.4451   6.8396  -9.6704   9.3330  -4.8635   10.052  494.647  233.012  575.205  260.280 -80.55853 349.3421 
1 1 1   11   28   13 o  667.107  229.555   6.6386   5.8038   9.8544   6.9820  -0.5526   10.441  783.970  251.247  646.079  279.864 137.8911 376.0966 
1 1 1   11   28   15 o  638.930  229.127   5.7287   5.8243   3.4544   7.5499   9.0718   9.1535  628.508  252.012  794.740  286.973 -166.2315 381.9210 
1 1 1   11   28   17 o  883.328  297.116   12.491   9.7168   0.0000   0.0000   12.491   9.7168  ?   ?   883.328  297.116 0.000000 297.1165 
1 1 1   11   28   19 o  514.796  225.662  -1.1837   6.9619 -19.6447   10.662   12.537   9.1920  454.120  222.421  876.521  288.824 -422.4017 364.5411 
1 1 1   11   28   21 o  645.528  250.634   4.7592   7.2547  -4.0564   11.073   11.389   9.6027  610.748  275.056  849.406  295.103 -238.6587 403.4127 
1 1 1   11   28   23 o  660.378  256.696   5.0919   7.6166   11.580   10.571  -1.9117   10.983  861.887  308.730  632.989  280.211 228.8985 416.9319 
1 1 1   11   28   25 o  801.281  242.699   10.895   6.6140   10.702   8.1400   11.270   11.347  807.450  271.941  859.765  318.055 -52.31506 418.4625 
1 1 1   11   29    0 o  1322.05  189.442   28.340   7.6181   30.838   9.6488   24.205   12.413  1369.07  233.451  1195.18  323.703 173.8932 399.1022 
1 1 1   11   29    2 o  769.946  252.548   9.2266   7.0309   9.2825   8.8938   9.1335   11.481  802.201  283.617  847.693  318.671 -45.49207 426.6024 
1 1 1   11   29    4 f  1353.49  187.088   29.674   7.7170   29.704   9.6338   29.619   12.891  1341.17  238.123  1319.82  316.108 21.34900 395.7610 
1 1 1   11   29    6 f  379.859  183.549 -10.4269   6.6250  -9.7805   7.8743 -11.9931   12.257  438.914  208.892  572.423  268.829 -133.5091 340.4485 
1 1 1   11   29    8 o  586.010  238.369   2.3757   6.8623  -0.4084   8.4436   7.7924   11.777  586.721  252.915  825.588  319.677 -238.8673 407.6262 
1 1 1   11   29   10 o  725.473  240.466   8.1422   6.3682   5.8435   8.0718   11.932   10.364  699.969  266.258  885.872  306.639 -185.9020 406.1045 
1 1 1   11   29   12 o  497.983  222.460  -2.6646   7.0843  -8.8382   11.454   1.1603   9.0156  575.952  266.925  631.264  266.336 -55.31201 377.0724 
1 1 1   11   29   14 f  1135.06  293.592   22.008   10.513   0.0000   0.0000   22.008   10.513  ?   ?   1135.06  293.592 0.000000 293.5922 
1 1 1   11   29   16 o  636.890  276.216  -0.6094   10.195   0.0000   0.0000  -0.6094   10.195  ?   ?   636.890  276.216 0.000000 276.2163 
1 1 1   11   29   18 o  662.456  258.220   4.7951   7.7237   1.9304   11.888   6.8880   10.161  720.913  305.084  765.689  296.801 -44.77563 425.6376 
1 1 1   11   29   20 o  361.619  174.999  -9.6153   6.0768 -14.2955   7.8423  -2.5827   9.6133  393.089  192.151  586.587  260.787 -193.4980 323.9324 
1 1 1   11   30    1 o  1221.85  222.730   24.568   8.2075   25.141   10.249   23.543   13.704  1224.84  274.072  1183.14  347.221 41.70044 442.3551 
1 1 1   11   30    3 o  728.434  261.240   7.3650   7.5715   10.434   9.6848   2.5411   12.143  844.213  296.188  747.159  311.760 97.05396 430.0251 
1 1 1   11   30    5 f  841.252  260.211   11.427   7.5525   8.4337   9.1467   17.841   13.389  786.968  286.451  1055.58  348.613 -268.6096 451.2040 
1 1 1   11   30    7 o  890.833  249.424   13.154   7.2334   17.444   9.2631   6.4506   11.579  1020.65  280.963  798.228  314.671 222.4246 421.8510 
1 1 1   11   30    9 o  849.689  269.474   11.585   8.0479   16.381   12.091   7.7700   10.783  1009.62  331.190  805.117  307.389 204.5015 451.8569 
1 1 1   11   30   11 o  711.229  286.001   4.2805   9.7543   0.0000   0.0000   4.2805   9.7543  ?   ?   711.229  286.001 0.000000 286.0009 
1 1 1   11   30   13 o  600.912  251.519   1.3814   7.9383   9.7409   11.757  -5.6235   10.762  860.911  322.704  589.962  267.893 270.9494 419.4104 
1 1 1   11   30   15 o  744.406  245.647   8.6620   6.6482   1.6568   8.2360   21.763   11.263  615.019  256.701  1128.43  309.478 -513.4140 402.0851 
1 1 1   11   30   17 o  704.524  269.495   5.9221   8.2985   9.8455   11.979   2.3022   11.507  862.509  325.255  719.226  302.030 143.2828 443.8616 
1 1 1   11   31    0 o  907.810  303.786   12.737   10.157   12.737   10.157   0.0000   0.0000  907.810  303.786  ?   ?  0.000000 303.7862 
1 1 1   11   31    2 o  621.783  253.590   2.5204   7.7926   1.6848   9.8987   3.8824   12.637  671.485  280.944  782.214  321.423 -110.7296 426.8981 
1 1 1   11   31    4 o  624.192  265.394   0.4529   9.0659   4.8417   13.046  -3.6451   12.607  806.996  328.512  674.883  299.410 132.1124 444.4842 
1 1 1   11   31    6 o  783.970  274.540   8.9319   8.3190   5.7817   12.504   11.434   11.143  809.246  324.379  891.033  317.197 -81.78735 453.6907 
1 1 1   11   31    8 o  690.408  266.712   5.2054   8.1834  -3.6789   13.217   10.729   10.421  690.975  306.558  862.896  306.798 -171.9205 433.7081 
1 1 1   11   31   10 o  477.548  216.424  -3.7848   6.9814   8.4807   9.0118 -22.1953   11.041  784.728  284.530  453.966  223.154 330.7624 361.6005 
1 1 1   12    0    0 o  6833.21  233.909  743.662   49.915  743.662   49.915  743.662   49.915  6833.21  233.909  6833.21  233.909 -0.000000 0.000000 
1 1 1   12    0    2 o  1683.49  101.254   44.974   5.2933   44.974   5.2933   44.974   5.2933  1683.49  101.254  1683.49  101.254 -0.000000 0.000000 
1 1 1   12    0    4 o  4437.50  164.618  312.031   22.802  312.031   22.802  312.031   22.802  4437.50  164.618  4437.50  164.618 -0.000000 0.000000 
1 1 1   12    0    6 o  559.533  115.135   5.4961   1.7818   5.4961   1.7818   5.4961   1.7818  559.533  115.135  559.533  115.135 -0.000000 0.000000 
1 1 1   12    0    8 f  2394.35  114.468   90.747   8.5373   90.747   8.5373   90.747   8.5373  2394.35  114.468  2394.35  114.468 -0.000000 0.000000 
1 1 1   12    0   10 o  4887.73  254.712  385.282   38.741  385.282   38.741  385.282   38.741  4887.73  254.712  4887.73  254.712 -0.000000 0.000000 
1 1 1   12    0   12 o  578.940  117.592   5.8731   1.8868   5.8731   1.8868   5.8731   1.8868  578.940  117.592  578.940  117.592 -0.000000 0.000000 
1 1 1   12    0   14 o  150.860   95.015   0.1605   0.9472   0.1605   0.9472   0.1605   0.9472  150.860   95.015  150.860   95.015 -0.000000 0.000000 
1 1 1   12    0   16 o  223.531  132.811   0.8628   1.6217   0.8628   1.6217   0.8628   1.6217  223.531  132.811  223.531  132.811 -0.000000 0.000000 
1 1 1   12    0   18 f  103.321   71.885  -0.7574   0.8280  -0.7574   0.8280  -0.7574   0.8280  103.321   71.885  103.321   71.885 -0.000000 0.000000 
1 1 1   12    0   20 o  2868.64  180.984  133.613   16.108  133.613   16.108  133.613   16.108  2868.64  180.984  2868.64  180.984 -0.000000 0.000000 
1 1 1   12    0   22 o  ?   ?   -2.1211   0.3859  -2.1211   0.3859  -2.1211   0.3859  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   12    0   24 o  1445.56  146.467   34.306   6.4737   34.306   6.4737   34.306   6.4737  1445.56  146.467  1445.56  146.467 -0.000000 0.000000 
1 1 1   12    0   26 o  156.685  106.291  -0.8034   1.5631  -0.8034   1.5631  -0.8034   1.5631  156.685  106.291  156.685  106.291 -0.000000 0.000000 
1 1 1   12    0   28 o  211.860  126.729   0.7600   1.4955   0.7600   1.4955   0.7600   1.4955  211.860  126.729  211.860  126.729 -0.000000 0.000000 
1 1 1   12    0   30 o  460.745  192.328   4.8134   2.7758   4.8134   2.7758   4.8134   2.7758  460.745  192.328  460.745  192.328 -0.000000 0.000000 
1 1 1   12    0   32 o  1517.15  104.698   36.908   4.9194   36.908   4.9194   36.908   4.9194  1517.15  104.698  1517.15  104.698 -0.000000 0.000000 
1 1 1   12    0   34 o  1395.66  104.948   31.295   4.5268   31.295   4.5268   31.295   4.5268  1395.66  104.948  1395.66  104.948 -0.000000 0.000000 
1 1 1   12    0   36 o  1950.68  158.246   62.018   9.5194   62.018   9.5194   62.018   9.5194  1950.68  158.246  1950.68  158.246 -0.000000 0.000000 
1 1 1   12    0   40 o  817.699  210.612   12.651   4.6608   12.651   4.6608   12.651   4.6608  817.699  210.612  817.699  210.612 -0.000000 0.000000 
1 1 1   12    0   42 o  1233.67  171.216   25.768   6.2501   25.768   6.2501   25.768   6.2501  1233.67  171.216  1233.67  171.216 -0.000000 0.000000 
1 1 1   12    0   44 o  944.401  216.949   16.576   5.5862   16.576   5.5862   16.576   5.5862  944.401  216.949  944.401  216.949 -0.000000 0.000000 
1 1 1   12    0   46 o  1805.22  120.513   52.828   6.7425   52.828   6.7425   52.828   6.7425  1805.22  120.513  1805.22  120.513 -0.000000 0.000000 
1 1 1   12    0   48 o  541.168  282.850   7.8285   6.2865   7.8285   6.2865   7.8285   6.2865  541.168  282.850  541.168  282.850 -0.000000 0.000000 
1 1 1   12    0   50 o  724.348  223.922   10.928   4.4455   10.928   4.4455   10.928   4.4455  724.348  223.922  724.348  223.922 -0.000000 0.000000 
1 1 1   12    0   52 o  641.751  251.969   9.7383   4.8527   9.7383   4.8527   9.7383   4.8527  641.751  251.969  641.751  251.969 -0.000000 0.000000 
1 1 1   12    0   54 o  349.144  229.494   0.4757   6.3432   0.4757   6.3432   0.4757   6.3432  349.144  229.494  349.144  229.494 -0.000000 0.000000 
1 1 1   12    1    1 o  4879.26  123.606  375.756   18.885  399.853   26.715  351.687   26.699  5015.25  170.115  4698.58  181.476 316.6699 248.7416 
1 1 1   12    1    3 o  2671.68   83.719  112.207   7.0037  112.002   9.9029  112.412   9.9066  2663.79  118.725  2668.69  118.552 -4.897217 167.7805 
1 1 1   12    1    5 o  570.533   70.852   5.1904   1.2385   5.5530   1.7341   4.8127   1.7695  586.015   97.960  543.064  107.863 42.95154 145.7071 
1 1 1   12    1    7 o  4484.04  116.460  317.654   16.352  304.653   23.120  330.665   23.129  4369.63  168.980  4555.75  162.139 -186.1187 234.1861 
1 1 1   12    1    9 o  2094.47   87.348   69.056   5.7286   71.273   7.0245   64.655   9.8983  2125.16  105.561  2008.20  158.705 116.9611 190.6057 
1 1 1   12    1   11 o  1142.37   77.550   20.623   2.7576   24.065   4.7902   18.917   3.3724  1225.71  126.635  1090.41   99.881 135.3021 161.2842 
1 1 1   12    1   13 o  294.182   84.855   1.3932   0.8248   1.1547   1.2077   1.6017   1.1291  292.355  104.391  320.353  100.865 -27.99783 145.1588 
1 1 1   12    1   15 o  1439.93   98.888   32.991   4.4316   32.991   4.4316   0.0000   0.0000  1439.93   98.888  ?   ?  0.000000 98.88849 
1 1 1   12    1   17 o  732.247   99.721   8.6753   2.2270   9.6141   3.1137   7.6922   3.1864  762.201  135.423  675.714  154.025 86.48700 205.0934 
1 1 1   12    1   19 o  1319.92   79.776   27.719   3.2816   29.960   5.6864   26.601   4.0183  1352.47  136.123  1286.87  100.519 65.60254 169.2147 
1 1 1   12    1   21 o  1086.64   79.460   18.853   2.6849   18.975   4.6853   18.794   3.2762  1067.37  143.850  1079.52   97.991 -12.14844 174.0547 
1 1 1   12    1   23 o  2377.47   92.812   90.492   6.9093   91.394   8.4619   88.688   11.968  2376.17  113.729  2292.07  167.923 84.09521 202.8109 
1 1 1   12    1   25 o  382.078  115.800   2.4067   1.5054   2.1388   2.1902   2.6466   2.0726  386.313  140.238  408.390  137.221 -22.07724 196.2054 
1 1 1   12    1   27 o  860.906  102.579   12.217   2.7108   0.0000   0.0000   12.217   2.7108  ?   ?   860.906  102.579 0.000000 102.5787 
1 1 1   12    1   29 o  1294.96  151.057   29.104   6.0100   29.104   6.0100   0.0000   0.0000  1294.96  151.057  ?   ?  0.000000 151.0573 
1 1 1   12    1   31 o  1369.88  104.344   30.901   4.4421   28.477   6.3534   33.218   6.2131  1271.15  163.407  1389.99  144.881 -118.8403 218.3855 
1 1 1   12    1   33 o  2307.79   93.423   86.442   6.7510   94.034   8.2935   71.533   11.622  2389.83  110.829  1988.51  188.929 401.3223 219.0375 
1 1 1   12    1   35 o  1160.24  104.843   22.279   3.7678   28.045   5.4385   16.958   5.2248  1278.66  138.021  962.410  179.995 316.2468 226.8219 
1 1 1   12    1   37 o  232.128  107.941  -1.4503   1.8972  -1.4503   1.8972   0.0000   0.0000  232.128  107.941  ?   ?  0.000000 107.9412 
1 1 1   12    1   39 o  2332.30   83.739   88.720   6.1155   87.493   8.6568   89.942   8.6404  2262.34  122.661  2297.15  120.544 -34.81104 171.9786 
1 1 1   12    1   41 o  296.305  120.748   0.8303   1.7650   2.6289   3.2798   0.0971   2.0940  421.935  167.109  287.697  124.978 134.2380 208.6736 
1 1 1   12    1   43 o  2027.48   83.258   68.305   5.2857   60.554   7.4885   76.000   7.4617  1828.76  131.655  2082.95  114.848 -254.1871 174.7086 
1 1 1   12    1   45 o  562.956  184.536   7.7228   3.7542   7.1994   5.0842   8.3504   5.5670  511.126  206.148  532.299  215.354 -21.17270 298.1175 
1 1 1   12    1   47 o  394.908  169.752   4.0295   3.7828   6.6349   4.8065  -0.2105   6.1317  445.310  191.381  348.143  170.123 97.16702 256.0633 
1 1 1   12    1   49 o  799.236  202.910   21.007   5.0871   0.0000   0.0000   21.007   5.0871  ?   ?   799.236  202.910 0.000000 202.9100 
1 1 1   12    1   51 o  259.815  126.313  -0.1083   3.2606   3.7442   5.9073  -1.7962   3.9102  311.651  154.971  252.587  125.678 59.06451 199.5268 
1 1 1   12    1   53 o  357.219  169.130   11.296   5.0334   0.0000   0.0000   11.296   5.0334  ?   ?   357.219  169.130 0.000000 169.1303 
1 1 1   12    1   55 o  ?   ?   -3.4583   4.6602   0.0000   0.0000  -3.4583   4.6602  ?   ?   ?   ?  0.000000      ? 
1 1 1   12    2    0 o  3775.33  102.983  224.397   12.174  223.963   17.218  224.832   17.216  3761.07  146.202  3768.45  145.897 -7.377686 206.5453 
1 1 1   12    2    2 o  3122.32   91.381  153.354   8.9341  151.211   12.634  155.498   12.636  3092.86  130.454  3136.81  128.645 -43.94873 183.2151 
1 1 1   12    2    4 o  1854.81   73.061   54.039   4.2433   49.639   5.9944   58.458   6.0074  1770.94  108.624  1923.85  100.068 -152.9094 147.6922 
1 1 1   12    2    6 o  4240.60  110.975  283.806   14.736  289.074   20.842  278.541   20.837  4263.15  156.130  4183.52  159.066 79.63818 222.8872 
1 1 1   12    2    8 o  2631.02   96.852  109.079   7.9790  107.214   9.7749  112.804   13.813  2603.97  119.884  2653.81  167.075 -49.83423 205.6363 
1 1 1   12    2   10 o  3571.97  115.004  201.757   12.863  194.847   15.752  215.589   22.285  3500.53  143.706  3653.56  195.504 -153.0300 242.6381 
1 1 1   12    2   12 o  775.575   96.136   9.6348   2.2846   9.6348   2.2846   0.0000   0.0000  775.575   96.136  ?   ?  0.000000 96.13641 
1 1 1   12    2   14 o  1581.22  100.644   39.723   4.9572   39.723   4.9572   0.0000   0.0000  1581.22  100.644  ?   ?  0.000000 100.6442 
1 1 1   12    2   16 f  1319.54   78.553   27.591   3.2310   29.334   3.9675   24.157   5.5672  1357.33   93.927  1215.05  149.479 142.2749 176.5399 
1 1 1   12    2   18 o  838.991   96.530   11.345   2.4897   11.345   2.4897   0.0000   0.0000  838.991   96.530  ?   ?  0.000000 96.53038 
1 1 1   12    2   20 o  1120.85   97.413   20.218   3.3849   20.218   3.3849   0.0000   0.0000  1120.85   97.413  ?   ?  0.000000 97.41322 
1 1 1   12    2   22 o  1142.72  141.750   21.722   4.9631   21.722   4.9631   0.0000   0.0000  1142.72  141.750  ?   ?  0.000000 141.7503 
1 1 1   12    2   24 o  1677.19  102.108   45.491   5.3369   45.491   5.3369   0.0000   0.0000  1677.19  102.108  ?   ?  0.000000 102.1081 
1 1 1   12    2   26 f  1014.23  146.595   17.564   4.5205   17.564   4.5205   0.0000   0.0000  1014.23  146.595  ?   ?  0.000000 146.5952 
1 1 1   12    2   28 o  834.626  108.758   11.597   2.7748   11.597   2.7748   0.0000   0.0000  834.626  108.758  ?   ?  0.000000 108.7585 
1 1 1   12    2   30 o  1011.78  159.776   18.063   4.8939   18.063   4.8939   0.0000   0.0000  1011.78  159.776  ?   ?  0.000000 159.7758 
1 1 1   12    2   32 o  912.518   77.250   13.444   2.1865   13.017   3.0987   13.867   3.0859  882.056  114.922  913.076  110.158 -31.01984 159.1905 
1 1 1   12    2   34 o  736.663   82.981   8.8458   1.8808   9.8432   2.7399   7.9571   2.5863  762.964  118.534  681.320  125.869 81.64386 172.8966 
1 1 1   12    2   36 o  2825.70   90.540  129.987   8.0109  132.256   11.327  127.716   11.331  2794.94  129.429  2742.50  131.950 52.44238 184.8315 
1 1 1   12    2   38 o  1375.17   77.212   30.675   3.3113   31.544   4.7217   29.835   4.6450  1369.63  111.054  1330.59  112.541 39.03137 158.1089 
1 1 1   12    2   40 o  1034.20   94.423   17.798   3.0240   19.910   5.1912   16.714   3.7204  1035.81  165.636  981.809  123.767 54.00195 206.7691 
1 1 1   12    2   42 o  1416.65   81.929   33.118   3.6188   34.338   5.1811   31.956   5.0566  1403.79  118.990  1352.01  120.713 51.78137 169.5001 
1 1 1   12    2   44 o  725.497  162.685   10.816   3.6045   9.0539   4.5552   13.768   5.8953  609.564  203.439  715.474  231.034 -105.9103 307.8380 
1 1 1   12    2   46 o  654.594  134.586   8.7929   2.6665   5.9885   3.9645   11.110   3.6032  468.979  184.363  690.141  168.259 -221.1619 249.6012 
1 1 1   12    2   48 o  323.132  139.193   2.0406   2.5539   7.9953   3.7960  -2.8833   3.4518  492.976  183.648  254.942  125.210 238.0339 222.2700 
1 1 1   12    2   50 o  1123.82  178.673   37.556   6.0770   0.0000   0.0000   37.556   6.0770  ?   ?   1123.82  178.673 0.000000 178.6726 
1 1 1   12    2   52 o  567.484  216.533   20.640   5.3489   0.0000   0.0000   20.640   5.3489  ?   ?   567.484  216.533 0.000000 216.5330 
1 1 1   12    2   54 o  ?   ?    2.3640   7.1733   2.3640   7.1733   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   12    3    1 o  3086.28   91.054  149.828   8.7994  156.388   12.450  143.280   12.439  3146.31  126.369  3010.35  131.960 135.9600 182.7086 
1 1 1   12    3    3 o  3699.46  101.830  215.614   11.796  218.083   16.686  213.148   16.678  3709.15  143.669  3666.45  145.270 42.70898 204.3137 
1 1 1   12    3    5 o  1107.99   66.305   19.343   2.2898   17.988   3.2403   20.694   3.2363  1064.17   98.355  1143.07   91.177 -78.90210 134.1156 
1 1 1   12    3    7 o  1406.03   98.395   31.301   4.3047   31.301   4.3047   0.0000   0.0000  1406.03   98.395  ?   ?  0.000000 98.39483 
1 1 1   12    3    9 o  3742.45  118.673  221.521   13.907  220.644   17.036  223.273   24.076  3725.35  146.046  3713.32  207.898 12.03345 254.0693 
1 1 1   12    3   11 o  1008.23   97.220   16.183   3.0312   16.183   3.0312   0.0000   0.0000  1008.23   97.220  ?   ?  0.000000 97.21970 
1 1 1   12    3   13 o  1536.71  100.115   37.489   4.7911   37.489   4.7911   0.0000   0.0000  1536.71  100.115  ?   ?  0.000000 100.1153 
1 1 1   12    3   15 o  1421.86  143.793   32.785   6.3140   32.785   6.3140   0.0000   0.0000  1421.86  143.793  ?   ?  0.000000 143.7931 
1 1 1   12    3   17 o  1436.77  100.390   33.007   4.4881   33.007   4.4881   0.0000   0.0000  1436.77  100.390  ?   ?  0.000000 100.3902 
1 1 1   12    3   19 o  1235.02   98.094   24.489   3.7622   24.489   3.7622   0.0000   0.0000  1235.02   98.094  ?   ?  0.000000 98.09412 
1 1 1   12    3   21 o  1822.98  105.749   53.531   6.0104   53.531   6.0104   0.0000   0.0000  1822.98  105.749  ?   ?  0.000000 105.7491 
1 1 1   12    3   23 o  1127.62   99.568   20.568   3.4795   20.568   3.4795   0.0000   0.0000  1127.62   99.568  ?   ?  0.000000 99.56805 
1 1 1   12    3   25 o  502.059  128.039   4.3012   2.0191   5.3933   2.9254   3.3075   2.7904  557.023  159.554  457.682  159.075 99.34009 225.3050 
1 1 1   12    3   27 o  875.332  107.300   12.682   2.8794   10.976   4.2074   14.185   3.9490  779.589  176.468  908.271  143.630 -128.6818 227.5316 
1 1 1   12    3   29 o  1886.65  106.922   58.551   6.2905   68.216   9.0057   49.341   8.7905  1997.50  144.972  1671.15  170.372 326.3483 223.7037 
1 1 1   12    3   31 o  481.459  143.856   4.0183   2.3354   4.6550   3.2579   3.3452   3.3495  517.957  172.010  466.563  172.765 51.39398 243.7935 
1 1 1   12    3   33 o  1157.66  108.649   22.150   3.8924   23.756   5.3118   20.289   5.7202  1174.12  147.753  1062.76  178.200 111.3633 231.4871 
1 1 1   12    3   37 o  1554.71  112.858   40.496   5.4567   47.125   7.5711   33.329   7.8715  1638.95  149.162  1328.56  195.023 310.3966 245.5264 
1 1 1   12    3   39 o  1715.06  117.234   49.911   6.2581   60.363   8.6696   38.539   9.0426  1840.06  151.826  1389.29  214.796 450.7664 263.0367 
1 1 1   12    3   41 o  953.992  136.127   16.217   3.9510   18.690   5.7044   13.937   5.4777  967.614  195.012  812.329  212.805 155.2843 288.6447 
1 1 1   12    3   43 o  1540.89   94.822   40.275   4.5529   40.024   7.7765   40.406   5.6160  1404.21  181.081  1509.53  119.798 -105.3218 217.1221 
1 1 1   12    3   45 o  1079.18   92.641   20.432   3.1002   20.680   4.3839   20.184   4.3847  1018.53  141.262  1002.47  143.803 16.06482 201.5795 
1 1 1   12    3   47 f  1406.23  116.769   39.153   5.0951   39.514   6.0488   38.273   9.4539  1335.62  147.071  864.709  293.059 470.9092 327.8920 
1 1 1   12    3   49 f  460.593  193.411   9.4733   4.7182   0.0000   0.0000   9.4733   4.7182  ?   ?   460.593  193.411 0.000000 193.4111 
1 1 1   12    3   51 o  240.897  116.693  -0.6673   2.7181  -5.8330   5.2881   1.1875   3.1687  248.692  126.365  278.552  132.555 -29.85980 183.1364 
1 1 1   12    3   53 o  ?   ?    10.756   8.5194   0.0000   0.0000   10.756   8.5194  ?   ?   ?   ?  0.000000      ? 
1 1 1   12    4    0 o  3684.16  117.591  214.189   13.565  213.697   16.607  215.178   23.516  3672.58  144.410  3657.53  206.178 15.05029 251.7214 
1 1 1   12    4    2 o  2172.93   87.091   74.259   5.9256   71.690   7.2482   79.438   10.290  2129.53  109.066  2233.18  147.988 -103.6526 183.8368 
1 1 1   12    4    4 o  1128.53   78.025   20.109   2.7402   19.263   3.3566   21.800   4.7446  1101.61   98.344  1166.44  132.241 -64.82300 164.8006 
1 1 1   12    4    6 o  1963.16  106.181   60.955   6.5028   60.955   6.5028   0.0000   0.0000  1963.16  106.181  ?   ?  0.000000 106.1813 
1 1 1   12    4    8 o  1808.99  103.998   51.789   5.8660   51.789   5.8660   0.0000   0.0000  1808.99  103.998  ?   ?  0.000000 103.9977 
1 1 1   12    4   10 o  2343.50  112.918   86.842   8.2860   86.842   8.2860   0.0000   0.0000  2343.50  112.918  ?   ?  0.000000 112.9181 
1 1 1   12    4   12 o  1667.35  145.662   44.691   7.5285   44.691   7.5285   0.0000   0.0000  1667.35  145.662  ?   ?  0.000000 145.6620 
1 1 1   12    4   14 o  843.908  146.665   11.736   3.7349   11.736   3.7349   0.0000   0.0000  843.908  146.665  ?   ?  0.000000 146.6654 
1 1 1   12    4   16 o  1832.23  104.955   53.601   5.9964   53.601   5.9964   0.0000   0.0000  1832.23  104.955  ?   ?  0.000000 104.9555 
1 1 1   12    4   18 o  1335.66  140.986   29.256   5.8073   29.256   5.8073   0.0000   0.0000  1335.66  140.986  ?   ?  0.000000 140.9855 
1 1 1   12    4   20 o  539.089  111.574   4.8342   1.8213   4.8342   1.8213   0.0000   0.0000  539.089  111.574  ?   ?  0.000000 111.5740 
1 1 1   12    4   22 o  593.686  104.406   5.8175   1.8700   5.7482   2.6189   5.8896   2.6711  580.374  144.632  587.220  145.911 -6.845947 205.4469 
1 1 1   12    4   24 o  1917.40   85.864   58.768   5.1552   61.368   6.3396   53.692   8.8573  1947.32  104.349  1782.05  160.453 165.2792 191.3999 
1 1 1   12    4   26 f  390.540   93.516   2.5554   1.1284   2.9965   1.6504   2.1682   1.5464  421.113  119.579  366.432  118.326 54.68130 168.2264 
1 1 1   12    4   28 o  1168.86   80.920   22.044   2.9434   21.727   5.0488   22.208   3.6228  1123.60  147.029  1164.04  100.376 -40.44141 178.0250 
1 1 1   12    4   30 o  3127.40  110.847  160.653   10.855  178.902   18.778  151.494   13.303  3154.67  190.996  2992.39  141.973 162.2817 237.9833 
1 1 1   12    4   32 o  1243.85  100.126   25.306   3.8667   0.0000   0.0000   25.306   3.8667  ?   ?   1243.85  100.126 0.000000 100.1262 
1 1 1   12    4   34 o  1973.23  104.979   63.896   6.4630   78.556   9.3832   50.662   8.9149  2150.79  140.091  1694.44  170.331 456.3495 220.5404 
1 1 1   12    4   36 o  1216.21   91.774   24.203   3.4692   24.349   4.2054   23.891   6.1380  1207.01  112.570  1145.72  176.779 61.28735 209.5778 
1 1 1   12    4   38 o  1842.12  177.207   62.408   10.095   0.0000   0.0000   62.408   10.095  ?   ?   1842.12  177.207 0.000000 177.2073 
1 1 1   12    4   40 o  1533.81  116.477   40.040   5.5523   45.479   7.5623   33.679   8.1780  1589.44  153.874  1301.48  207.656 287.9639 258.4529 
1 1 1   12    4   42 o  1424.62  189.578   40.643   8.2468   0.0000   0.0000   40.643   8.2468  ?   ?   1424.62  189.578 0.000000 189.5784 
1 1 1   12    4   44 o  958.646  142.446   17.768   4.1459   17.338   5.1367   18.572   7.0221  881.231  191.619  797.011  251.604 84.21967 316.2630 
1 1 1   12    4   46 o  1176.35  119.124   26.790   4.3274   26.584   5.0300   27.374   8.4891  1119.55  147.041  788.757  277.271 330.7896 313.8474 
1 1 1   12    4   48 o  448.209  196.785   8.5520   5.3127   1.1951   7.6119   15.539   7.4183  352.620  175.435  498.735  224.823 -146.1152 285.1714 
1 1 1   12    4   50 o  510.261  201.419   12.651   4.7502   14.514   5.9904   9.4953   7.7966  467.484  206.942  364.627  180.754 102.8571 274.7674 
1 1 1   12    4   52 o  331.984  152.523   5.0409   3.6247   0.0000   0.0000   5.0409   3.6247  ?   ?   331.984  152.523 0.000000 152.5231 
1 1 1   12    4   54 o  552.979  217.129   25.978   5.4929   13.908   9.1484   32.782   6.8688  ?   ?   481.127  216.662 0.000000 216.6620 
1 1 1   12    5    1 o  3515.79  114.259  195.026   12.579  193.572   15.397  197.945   21.812  3495.72  140.660  3509.22  199.326 -13.50537 243.9591 
1 1 1   12    5    3 o  1288.21   97.486   26.278   3.9032   24.170   5.5164   28.392   5.5235  1226.11  146.591  1332.85  134.171 -106.7405 198.7229 
1 1 1   12    5    5 o  1797.13   83.755   50.790   4.7131   50.887   5.7724   50.597   8.1633  1793.88  103.201  1779.49  147.843 14.38098 180.2997 
1 1 1   12    5    7 o  2081.02   86.785   68.150   5.6551   60.615   6.9148   83.368   9.8268  1955.89  113.393  2288.82  137.755 -332.9386 178.4224 
1 1 1   12    5    9 f  1668.04   82.481   43.786   4.3081   42.237   5.2793   46.872   7.4531  1632.62  103.810  1712.10  140.255 -79.47595 174.4931 
1 1 1   12    5   11 o  1136.71   97.138   20.543   3.4242   20.543   3.4242   0.0000   0.0000  1136.71   97.138  ?   ?  0.000000 97.13801 
1 1 1   12    5   15 o  1298.40   98.396   26.902   3.9707   26.902   3.9707   0.0000   0.0000  1298.40   98.396  ?   ?  0.000000 98.39600 
1 1 1   12    5   17 o  1062.24   79.151   17.955   2.6138   17.882   3.1937   18.103   4.5487  1055.64   97.727  1048.36  142.239 7.281372 172.5763 
1 1 1   12    5   19 o  335.071   89.833   1.8480   0.9618   1.1356   1.3304   2.6279   1.3921  296.364  109.038  398.425  108.606 -102.0602 153.8978 
1 1 1   12    5   21 o  353.437  106.100   2.0292   1.2682   0.6083   1.6869   3.8760   1.9231  291.230  118.293  480.269  126.226 -189.0392 172.9921 
1 1 1   12    5   23 o  983.486   79.680   15.491   2.4327   16.156   4.1664   15.147   2.9965  982.973  139.258  966.077  100.531 16.89600 171.7536 
1 1 1   12    5   25 o  1170.18   80.709   21.980   2.9392   25.878   5.0311   19.960   3.6214  1246.42  130.861  1105.01  105.963 141.4045 168.3832 
1 1 1   12    5   27 o  1217.51   80.318   23.862   3.0448   26.296   5.2258   22.611   3.7464  1247.83  135.945  1174.80  102.879 73.02673 170.4846 
1 1 1   12    5   29 o  1259.06   82.959   25.579   3.2523   31.012   5.5898   22.799   3.9988  1356.44  133.329  1175.20  109.945 181.2352 172.8134 
1 1 1   12    5   31 f  1046.34  104.402   17.985   3.3749   20.272   5.2974   16.422   4.3785  1078.42  161.873  977.240  147.697 101.1829 219.1282 
1 1 1   12    5   33 o  1946.99   75.554   60.653   4.6062   61.745   6.5294   59.571   6.4989  1940.32  107.896  1904.52  109.437 35.80188 153.6816 
1 1 1   12    5   35 o  1189.63  106.967   23.416   3.9420   0.0000   0.0000   23.416   3.9420  ?   ?   1189.63  106.967 0.000000 106.9674 
1 1 1   12    5   37 o  1284.73   89.396   26.980   3.5738   29.508   6.0232   25.607   4.4398  1295.33  151.355  1233.74  116.300 61.59497 190.8772 
1 1 1   12    5   39 o  869.653  101.794   12.661   2.7195   19.557   5.9455   10.837   3.0582  1006.59  195.682  789.255  128.140 217.3293 233.9047 
1 1 1   12    5   41 o  1805.07   79.338   53.155   4.4843   58.206   6.4549   48.443   6.2343  1849.77  111.971  1677.93  119.437 171.8386 163.7151 
1 1 1   12    5   43 o  1171.24  103.845   23.753   3.7690   25.986   7.7486   23.061   4.3136  1024.05  244.944  1131.98  123.713 -107.9351 274.4130 
1 1 1   12    5   45 o  1066.60  279.578   38.207   9.4509   0.0000   0.0000   38.207   9.4509  ?   ?   1066.60  279.578 0.000000 279.5775 
1 1 1   12    5   47 o  1045.43  146.277   24.112   4.6573   0.0000   0.0000   24.112   4.6573  ?   ?   1045.43  146.277 0.000000 146.2773 
1 1 1   12    5   49 o  568.958  179.157   10.115   3.5623   0.0000   0.0000   10.115   3.5623  ?   ?   568.958  179.157 0.000000 179.1570 
1 1 1   12    5   51 o  307.960  153.050   2.7254   5.7290   11.059   8.4241  -4.4453   7.8144  346.345  174.073  ?   ?  0.000000 174.0731 
1 1 1   12    5   53 o  ?   ?    1.0471   6.2366   2.8484   9.0231  -0.6007   8.6299  ?   ?   ?   ?  0.000000      ? 
1 1 1   12    6    0 o  1721.30   72.005   46.528   3.8809   46.703   5.4925   46.354   5.4845  1718.85  102.517  1712.36  102.762 6.487183 145.1547 
1 1 1   12    6    2 o  1850.32   73.414   53.775   4.2534   52.387   6.0111   55.167   6.0194  1820.08  105.933  1868.37  103.292 -48.29065 147.9561 
1 1 1   12    6    4 o  2796.88   86.631  123.046   7.5869  114.317   10.726  131.786   10.733  2688.54  127.411  2888.59  118.662 -200.0474 174.1100 
1 1 1   12    6    6 o  1420.00   68.766   31.669   3.0576   34.409   4.3391   28.967   4.3091  1475.12   94.437  1351.66  102.579 123.4603 139.4305 
1 1 1   12    6    8 o  1232.81   68.120   23.949   2.6194   24.475   3.6934   23.416   3.7154  1242.49   95.670  1214.67   98.535 27.81604 137.3382 
1 1 1   12    6   10 o  1402.71   80.214   31.075   3.5086   29.551   6.0735   31.839   4.2984  1354.21  145.513  1416.99   97.470 -62.77954 175.1411 
1 1 1   12    6   12 o  540.510  148.803   4.8287   2.5981   4.8287   2.5981   0.0000   0.0000  540.510  148.803  ?   ?  0.000000 148.8029 
1 1 1   12    6   16 o  475.757   97.152   3.7255   1.3983   4.3805   1.6945   2.3270   2.4759  514.661  108.562  411.434  149.144 103.2270 184.4714 
1 1 1   12    6   18 o  910.644  141.382   13.757   3.9007   13.757   3.9007   0.0000   0.0000  910.644  141.382  ?   ?  0.000000 141.3818 
1 1 1   12    6   20 o  390.153   99.219   2.5252   1.2149   3.3782   1.9514   1.9853   1.5525  451.159  130.631  358.427  118.726 92.73242 176.5229 
1 1 1   12    6   22 o  1488.96   81.140   35.364   3.7687   32.844   6.4725   36.656   4.6356  1404.20  149.505  1509.43   98.620 -105.2266 179.1024 
1 1 1   12    6   24 o  1069.83   69.780   18.246   2.3247   16.610   3.3021   19.854   3.2735  1008.63  106.146  1107.82   95.297 -99.19025 142.6480 
1 1 1   12    6   26 o  1204.39   71.649   23.191   2.6899   23.667   3.8766   22.749   3.7354  1203.23  103.912  1180.38  102.070 22.85303 145.6575 
1 1 1   12    6   28 o  280.142   98.521   1.1399   1.0719   1.4264   1.7302   0.9616   1.3654  330.104  123.786  285.538  109.294 44.56635 165.1307 
1 1 1   12    6   30 o  468.244  100.315   3.6793   1.4265   6.3491   2.3901   2.2022   1.7779  608.957  129.343  374.598  127.086 234.3591 181.3297 
1 1 1   12    6   32 o  2146.40   91.023   74.267   6.1176   74.680   10.436   74.050   7.5509  2084.82  161.119  2123.37  113.985 -38.54492 197.3622 
1 1 1   12    6   34 o  1841.38   76.214   54.308   4.3943   57.918   6.2567   50.794   6.1732  1878.71  106.799  1754.25  112.984 124.4576 155.4720 
1 1 1   12    6   36 o  2314.53   87.410   86.786   6.3349  111.280   11.454   75.993   7.6036  2545.19  144.319  2138.36  113.970 406.8328 183.8943 
1 1 1   12    6   38 o  3099.45  108.034  159.389   10.485  173.988   18.014  151.910   12.894  3063.18  188.735  2972.35  138.536 90.82593 234.1222 
1 1 1   12    6   40 o  596.428  133.426   6.3483   2.4295   0.0000   0.0000   6.3483   2.4295  ?   ?   596.428  133.426 0.000000 133.4259 
1 1 1   12    6   42 o  413.839  149.171   2.9850   2.4717   0.0000   0.0000   2.9850   2.4717  ?   ?   413.839  149.171 0.000000 149.1713 
1 1 1   12    6   44 o  623.067  248.654   12.897   7.3130   0.0000   0.0000   12.897   7.3130  ?   ?   623.067  248.654 0.000000 248.6540 
1 1 1   12    6   46 o  826.774  157.036   15.123   3.9168   0.0000   0.0000   15.123   3.9168  ?   ?   826.774  157.036 0.000000 157.0364 
1 1 1   12    6   48 o  395.354  152.938   4.0844   2.6936   0.0000   0.0000   4.0844   2.6936  ?   ?   395.354  152.938 0.000000 152.9384 
1 1 1   12    6   50 o  434.807  160.578   6.0784   2.8898   0.7004   8.3565   6.8089   3.0798  319.398  161.941  451.487  165.933 -132.0890 231.8587 
1 1 1   12    6   52 o  289.576  132.367   2.3086   2.6831   0.0000   0.0000   2.3086   2.6831  ?   ?   289.576  132.367 0.000000 132.3668 
1 1 1   12    7    1 o  3043.94  102.516  145.976   9.7711  126.616   16.891  155.712   11.979  2806.39  193.400  3139.77  121.841 -333.3870 228.5805 
1 1 1   12    7    3 o  2368.80   79.692   88.199   5.9110   87.473   8.3599   88.926   8.3590  2354.26  113.404  2373.89  112.454 -19.63013 159.7068 
1 1 1   12    7    5 o  1261.10   77.851   25.094   3.0592   21.985   3.7344   31.438   5.3340  1176.52  102.389  1404.85  122.483 -228.3345 159.6416 
1 1 1   12    7    7 o  566.102   87.967   5.1637   1.5087   6.1913   1.8402   3.0570   2.6348  619.198   98.189  454.828  154.709 164.3695 183.2377 
1 1 1   12    7    9 o  1762.99   72.115   48.880   3.9810   45.433   5.6148   52.364   5.6453  1692.02  106.521  1818.44   99.523 -126.4268 145.7793 
1 1 1   12    7   11 o  2347.90   91.903   87.073   6.7566  100.790   11.728   80.259   8.2662  2503.52  150.305  2244.80  118.015 258.7205 191.0996 
1 1 1   12    7   13 o  476.155  114.646   3.7521   1.6888   3.7521   1.6888   0.0000   0.0000  476.155  114.646  ?   ?  0.000000 114.6457 
1 1 1   12    7   15 o  792.242  100.125   10.131   2.4283   9.6233   3.3309   10.708   3.5477  759.895  145.285  802.157  146.647 -42.26202 206.4297 
1 1 1   12    7   17 o  645.878   88.964   6.7428   1.7515   5.9469   2.0843   8.6551   3.2309  599.719  115.180  717.236  148.741 -117.5166 188.1230 
1 1 1   12    7   19 o  1333.89  100.110   28.559   4.1508   32.199   5.8405   24.845   5.9003  1403.39  134.559  1221.28  157.996 182.1136 207.5304 
1 1 1   12    7   21 o  331.697   94.777   1.8009   1.0335   2.1412   1.4436   1.4431   1.4802  365.104  113.902  322.214  115.513 42.88962 162.2247 
1 1 1   12    7   23 o  285.061  104.046   1.0827   1.2079   2.6670   2.7178   0.6926   1.3485  429.967  156.199  271.317  107.247 158.6504 189.4727 
1 1 1   12    7   25 o  632.200  114.661   6.6968   2.1862   0.0000   0.0000   6.6968   2.1862  ?   ?   632.200  114.661 0.000000 114.6606 
1 1 1   12    7   27 o  655.984   92.554   7.0581   1.8483   8.1196   2.3323   5.2661   3.0304  698.261  110.338  548.803  163.844 149.4584 197.5329 
1 1 1   12    7   29 o  380.006  105.010   2.4172   1.2911   1.9199   2.0619   2.7379   1.6559  370.074  135.805  405.025  121.159 -34.95142 181.9959 
1 1 1   12    7   31 o  1342.55   76.518   28.856   3.2034   30.898   4.6941   27.076   4.3824  1373.55  110.066  1285.37  109.943 88.18103 155.5700 
1 1 1   12    7   33 o  1390.28   86.710   31.195   3.7560   37.945   6.2797   27.435   4.6866  1503.27  134.843  1287.40  117.557 215.8687 178.8921 
1 1 1   12    7   35 o  759.301  120.988   9.7634   2.7800   0.0000   0.0000   9.7634   2.7800  ?   ?   759.301  120.988 0.000000 120.9883 
1 1 1   12    7   37 o  1603.58  111.141   42.749   5.5462   0.0000   0.0000   42.749   5.5462  ?   ?   1603.58  111.141 0.000000 111.1414 
1 1 1   12    7   39 f  825.719  118.951   11.649   2.9868   0.0000   0.0000   11.649   2.9868  ?   ?   825.719  118.951 0.000000 118.9509 
1 1 1   12    7   41 o  2111.64   95.880   74.129   6.3396   93.975   11.744   65.968   7.5311  2242.24  168.508  1951.67  123.877 290.5686 209.1425 
1 1 1   12    7   43 o  712.192  264.745   15.781   7.8806   0.0000   0.0000   15.781   7.8806  ?   ?   712.192  264.745 0.000000 264.7453 
1 1 1   12    7   45 o  474.876  149.033   4.8677   2.4673   0.0000   0.0000   4.8677   2.4673  ?   ?   474.876  149.033 0.000000 149.0327 
1 1 1   12    7   47 o  388.325  143.076   3.4432   2.2918   0.0000   0.0000   3.4432   2.2918  ?   ?   388.325  143.076 0.000000 143.0759 
1 1 1   12    7   49 o  451.826  149.483   5.4225   2.4613  -3.4847   8.0570   6.3393   2.5849  316.730  160.422  488.530  152.415 -171.7998 221.2816 
1 1 1   12    7   51 o  298.514  128.075   2.1499   2.1461   0.0000   0.0000   2.1499   2.1461  ?   ?   298.514  128.075 0.000000 128.0748 
1 1 1   12    7   53 o  277.271  126.292   2.2227   2.4152   0.0000   0.0000   2.2227   2.4152  ?   ?   277.271  126.292 0.000000 126.2918 
1 1 1   12    8    0 f  675.782   82.648   7.2855   1.7124   6.6528   2.9847   7.5959   2.0908  634.920  152.125  687.392  100.074 -52.47284 182.0897 
1 1 1   12    8    2 f  1686.85   82.906   44.744   4.3791   41.751   7.5229   46.277   5.3855  1614.76  150.521  1710.79  100.982 -96.03601 181.2560 
1 1 1   12    8    4 o  2510.81  115.697   99.599   9.0961   99.599   9.0961   0.0000   0.0000  2510.81  115.697  ?   ?  0.000000 115.6971 
1 1 1   12    8    6 o  4075.35  107.145  262.278   13.673  256.645   19.334  267.914   19.338  4013.08  153.859  4101.77  150.568 -88.68408 215.2753 
1 1 1   12    8    8 o  1782.52   72.964   49.980   4.0725   49.411   5.7553   50.551   5.7634  1764.98  104.605  1785.54  103.529 -20.55054 147.1746 
1 1 1   12    8   10 o  876.695   70.123   12.172   1.9089   11.725   2.6746   12.636   2.7252  854.860  101.929  888.344   99.692 -33.48401 142.5757 
1 1 1   12    8   12 o  2029.83   76.124   64.983   4.8383   62.576   6.8408   67.394   6.8441  1980.84  110.735  2057.26  106.611 -76.41968 153.7141 
1 1 1   12    8   14 o  759.450   83.106   9.2290   1.9440   10.108   3.2865   8.7559   2.4111  781.362  139.441  733.969  108.151 47.39252 176.4667 
1 1 1   12    8   16 o  673.506  144.093   7.6104   2.9469   7.6104   2.9469   0.0000   0.0000  673.506  144.093  ?   ?  0.000000 144.0932 
1 1 1   12    8   18 o  532.258   97.425   4.6481   1.5639   4.3355   1.9034   5.2977   2.7435  509.458  121.098  560.321  152.355 -50.86346 194.6191 
1 1 1   12    8   20 o  652.295  105.614   6.9784   2.0834   6.1876   2.8158   7.9351   3.0971  603.141  149.777  684.076  148.822 -80.93420 211.1423 
1 1 1   12    8   22 o  465.550  105.179   3.6179   1.4971   4.0529   1.9003   2.9062   2.4308  490.266  123.769  433.322  148.591 56.94449 193.3855 
1 1 1   12    8   24 o  988.625   73.738   15.630   2.2662   15.382   3.3126   15.847   3.1071  967.996  111.317  986.237  102.092 -18.24103 151.0434 
1 1 1   12    8   26 o  982.353   88.859   15.605   2.7037   11.761   5.1888   17.037   3.1677  799.651  205.971  1022.50  100.227 -222.8509 229.0617 
1 1 1   12    8   28 o  436.953  102.858   3.2054   1.3840   0.9198   2.3059   4.4923   1.7302  339.171  138.094  516.883  110.267 -177.7128 176.7169 
1 1 1   12    8   30 o  2824.06  105.202  129.113   9.3028  129.488   16.041  128.923   11.419  2725.39  189.139  2797.43  130.365 -72.03613 229.7144 
1 1 1   12    8   32 o  1956.25   89.942   61.515   5.5094   63.581   9.4316   60.445   6.7879  1933.08  157.179  1921.65  113.310 11.42834 193.7637 
1 1 1   12    8   34 o  1993.23   80.341   63.713   5.0143   65.234   7.1511   62.242   7.0330  1989.21  115.303  1942.18  116.180 47.03589 163.6845 
1 1 1   12    8   36 o  1767.43   77.831   50.167   4.3074   54.572   6.2015   46.060   5.9872  1818.48  109.420  1665.29  115.535 153.1921 159.1261 
1 1 1   12    8   38 o  2443.87  128.933  101.105   9.8315   0.0000   0.0000  101.105   9.8315  ?   ?   2443.87  128.933 0.000000 128.9329 
1 1 1   12    8   40 o  860.974  114.496   12.660   3.0102   18.953   7.0102   11.237   3.3331  939.228  238.054  795.434  138.876 143.7938 275.6016 
1 1 1   12    8   42 o  1110.93  104.620   21.216   3.5964   29.694   7.6160   18.783   4.0800  1165.91  216.588  1020.32  130.709 145.5825 252.9731 
1 1 1   12    8   44 o  590.225  131.348   6.7591   2.3650   12.440   6.9388   6.0125   2.5156  613.219  243.000  543.271  145.125 69.94794 283.0376 
1 1 1   12    8   46 o  725.154  145.302   11.209   3.1843   13.561   7.5943   10.708   3.5076  542.528  236.807  676.663  166.646 -134.1350 289.5657 
1 1 1   12    8   48 o  248.671  106.944   0.6295   1.5027   0.5034   6.8559   0.6358   1.5402  347.474  171.753  250.608  108.023 96.86540 202.8993 
1 1 1   12    8   50 o  551.982  154.742   8.2912   2.7823   14.647   7.6022   7.3083   2.9897  423.310  202.505  485.244  164.801 -61.93381 261.0889 
1 1 1   12    8   52 o  261.163  131.924  -2.4056   5.1918   6.9479   7.5217 -10.9167   7.1750  317.220  160.065  ?   ?  0.000000 160.0648 
1 1 1   12    9    1 o  1026.85   79.092   16.674   2.5235   15.190   3.0840   19.681   4.3897  976.362  102.401  1107.83  128.960 -131.4650 164.6710 
1 1 1   12    9    3 o  3069.39  186.039  151.660   17.796  151.660   17.796   0.0000   0.0000  3069.39  186.039  ?   ?  0.000000 186.0392 
1 1 1   12    9    5 o  2378.07   92.270   89.143   6.8707   81.028   11.877   93.224   8.4231  2243.04  170.384  2428.28  110.778 -185.2366 203.2298 
1 1 1   12    9    7 o  1198.41   79.805   22.715   2.9776   21.409   5.1529   23.370   3.6483  1149.39  146.506  1212.76   96.882 -63.36768 175.6420 
1 1 1   12    9    9 o  1677.25   72.228   44.292   3.7933   44.814   5.3587   43.769   5.3704  1679.33  102.397  1659.20  103.893 20.13879 145.8732 
1 1 1   12    9   11 o  1283.11   69.605   26.009   2.7861   27.595   3.9535   24.444   3.9268  1316.45   96.584  1237.30  102.272 79.15186 140.6699 
1 1 1   12    9   13 o  746.082   73.834   8.8675   1.7022   7.9745   2.4025   9.7677   2.4122  698.674  113.731  777.816  101.458 -79.14191 152.4087 
1 1 1   12    9   15 o  434.081   94.393   3.1049   1.2464   4.4247   1.8074   1.9080   1.7212  516.461  114.745  361.250  124.970 155.2110 169.6589 
1 1 1   12    9   17 o  516.292  114.332   4.4286   1.7996   4.6354   2.3972   4.1615   2.7240  526.003  142.161  504.281  156.321 21.72272 211.2962 
1 1 1   12    9   19 o  509.451  103.360   4.2914   1.5924   3.7646   1.9704   5.2833   2.7040  474.739  129.129  558.909  150.954 -84.16971 198.6492 
1 1 1   12    9   21 o  180.408   82.344  -0.6618   1.0336   1.6030   1.3057  -4.4623   1.6914  324.578  108.916  162.596   81.182 161.9824 135.8427 
1 1 1   12    9   23 o  618.052  151.611   6.5894   2.9119   6.5894   2.9119   0.0000   0.0000  618.052  151.611  ?   ?  0.000000 151.6107 
1 1 1   12    9   25 o  731.143  103.992   8.7884   2.3137   7.6086   3.2191   10.049   3.3277  661.291  157.682  767.769  143.699 -106.4776 213.3380 
1 1 1   12    9   27 o  417.411  108.494   2.9230   1.4311   2.8562   2.3647   2.9617   1.7977  427.422  146.558  422.002  126.241 5.420258 193.4326 
1 1 1   12    9   29 o  226.507   97.405  -0.0512   1.2464   1.1128   4.2785  -0.1591   1.3030  437.145  183.903  226.960   98.589 210.1852 208.6629 
1 1 1   12    9   31 o  1450.09   77.672   33.608   3.5139   35.295   5.1474   32.136   4.8088  1469.83  112.699  1403.39  110.322 66.44812 157.7081 
1 1 1   12    9   33 f  1857.12   78.197   55.123   4.5472   62.009   6.5435   48.692   6.3236  1949.37  107.618  1719.59  118.159 229.7858 159.8223 
1 1 1   12    9   35 o  742.981   89.067   9.0203   2.0308   10.309   2.8491   7.6891   2.8955  782.523  120.113  664.138  143.430 118.3851 187.0808 
1 1 1   12    9   37 o  1246.42  117.066   25.933   4.5154   0.0000   0.0000   25.933   4.5154  ?   ?   1246.42  117.066 0.000000 117.0660 
1 1 1   12    9   39 o  972.282  124.141   16.165   3.6931   4.1793   7.5199   19.975   4.2397  560.971  240.186  1079.30  127.941 -518.3270 272.1365 
1 1 1   12    9   41 o  1346.96  119.232   31.453   4.9769   28.957   8.2344   32.890   6.2470  1143.10  237.798  1339.19  151.648 -196.0867 282.0374 
1 1 1   12    9   43 o  1053.18  124.831   20.332   4.0365   19.410   7.4124   20.721   4.8127  816.172  258.592  1026.00  154.602 -209.8277 301.2831 
1 1 1   12    9   45 o  671.201  260.982   18.523   7.8749   18.523   7.8749   0.0000   0.0000  671.201  260.982  ?   ?  0.000000 260.9821 
1 1 1   12    9   47 f  332.859  160.446  -0.3923   4.9875  -2.6118   6.5077   2.7669   7.7641  335.419  166.071  388.591  190.214 -53.17181 252.5095 
1 1 1   12    9   49 o  589.808  227.187   16.888   5.9242   32.935   8.4870   1.6393   8.2733  716.201  272.879  347.702  174.459 368.4988 323.8803 
1 1 1   12    9   51 o  338.287  164.240   5.0057   5.4629  -5.1923   7.7408   15.124   7.7106  ?   ?   398.698  193.927 0.000000 193.9270 
1 1 1   12   10    0 o  2755.02   98.661  119.683   8.5112  126.591   10.438  105.978   14.702  2829.14  117.829  2563.80  184.366 265.3413 218.8026 
1 1 1   12   10    2 o  2399.79  115.202   91.108   8.6566   88.865   12.266   93.335   12.219  2350.90  167.731  2411.40  162.776 -60.49365 233.7298 
1 1 1   12   10    4 o  2519.68  116.654  100.569   9.2037  100.569   9.2037   0.0000   0.0000  2519.68  116.654  ?   ?  0.000000 116.6543 
1 1 1   12   10    6 o  2646.45  120.236  111.203   9.9636  116.524   14.092  105.883   14.090  2686.27  168.380  2556.07  177.133 130.1992 244.3930 
1 1 1   12   10    8 o  1056.79  147.052   18.218   4.7342   0.0000   0.0000   18.218   4.7342  ?   ?   1056.79  147.052 0.000000 147.0519 
1 1 1   12   10   10 o  472.389  109.690   3.6857   1.5914   4.3556   1.9533   2.3633   2.7444  512.546  123.224  425.158  156.579 87.38800 199.2521 
1 1 1   12   10   12 o  1257.49   70.394   25.004   2.7606   27.873   3.9819   22.349   3.8307  1322.27   96.847  1181.38  104.638 140.8890 142.5784 
1 1 1   12   10   14 o  1362.00   79.875   29.418   3.3916   31.327   5.8244   28.439   4.1718  1389.49  135.597  1334.07  100.609 55.42749 168.8457 
1 1 1   12   10   16 o  649.501   89.127   6.8102   1.7648   7.2941   2.9245   6.5331   2.2133  659.097  145.588  629.560  116.566 29.53754 186.5038 
1 1 1   12   10   18 o  219.492   90.870   0.2121   1.0201  -0.7014   1.5346   0.9353   1.3655  228.529  102.708  287.107  109.439 -58.57773 150.0860 
1 1 1   12   10   20 o  879.812  105.467   12.575   2.8476   15.491   3.9703   9.4852   4.0865  967.680  134.682  739.448  178.520 228.2314 223.6255 
1 1 1   12   10   22 o  1205.76   84.462   23.277   3.1688   25.494   3.9357   19.192   5.3426  1256.34  100.898  1060.80  166.311 195.5406 194.5245 
1 1 1   12   10   24 o  1091.78  110.433   19.445   3.7234   19.445   3.7234   0.0000   0.0000  1091.78  110.433  ?   ?  0.000000 110.4329 
1 1 1   12   10   26 o  667.418   81.011   7.1913   1.6583   8.4097   2.4831   6.2104   2.2280  712.571  115.219  608.524  121.186 104.0464 167.2170 
1 1 1   12   10   28 o  407.829  106.106   2.7774   1.3679   3.5543   2.0357   2.1377   1.8471  460.492  133.446  375.937  129.494 84.55511 185.9477 
1 1 1   12   10   30 o  822.094   81.194   10.870   2.0628   8.7258   2.9632   12.886   2.8733  718.057  136.786  888.226  105.364 -170.1686 172.6614 
1 1 1   12   10   32 o  668.778  117.947   7.4898   2.3797   7.6032   5.6304   7.4651   2.6257  654.863  226.056  663.037  131.117 -8.173828 261.3291 
1 1 1   12   10   34 o  987.070   93.904   15.848   2.8674   16.083   3.7132   15.501   4.5129  981.416  123.571  945.350  158.034 36.06573 200.6101 
1 1 1   12   10   36 o  1175.58   90.639   22.440   3.3107   17.872   4.2151   29.795   5.3488  1026.48  134.370  1331.83  129.914 -305.3535 186.9036 
1 1 1   12   10   38 o  1346.07   87.684   29.473   3.6756   26.983   4.6616   33.565   5.9762  1268.14  118.778  1399.48  138.181 -131.3396 182.2149 
1 1 1   12   10   40 o  425.592  192.735  -0.2357   5.5249  -0.2357   5.5249   0.0000   0.0000  425.592  192.735  ?   ?  0.000000 192.7348 
1 1 1   12   10   42 o  1391.14  155.932   37.098   6.6756   32.343   8.8464   43.387   10.173  1137.68  254.676  1326.52  254.180 -188.8350 359.8163 
1 1 1   12   10   44 o  631.567  221.957   11.358   5.4398   12.810   7.0807   9.2659   8.4976  612.149  244.549  525.789  238.482 86.35931 341.5812 
1 1 1   12   10   46 o  1102.20  206.673   31.904   6.8708   44.754   9.1229   15.063   10.444  1193.18  252.077  508.682  241.652 684.5023 349.1970 
1 1 1   12   10   48 o  327.627  159.521  -0.3778   5.2540   5.2611   7.0890  -7.2501   7.8261  394.173  190.316  315.614  159.666 78.55862 248.4221 
1 1 1   12   10   50 o  413.615  189.910   8.9922   5.6078   17.601   8.1879   1.3869   7.6961  448.665  213.382  331.143  166.426 117.5215 270.6096 
1 1 1   12   10   52 o  370.218  178.813   11.199   6.2712   14.088   9.2196   8.7108   8.5552  344.469  174.171  326.180  165.219 18.28918 240.0685 
1 1 1   12   11    1 o  2902.64  102.275  133.124   9.2956  131.959   11.394  135.443   16.075  2883.05  126.211  2896.06  178.133 -13.01563 218.3134 
1 1 1   12   11    3 o  1093.03   83.149   18.934   2.8245   20.240   3.5004   16.497   4.7816  1127.33  100.208  1003.62  157.327 123.7117 186.5300 
1 1 1   12   11    5 o  1295.00   99.231   26.672   3.9932   22.267   5.5852   31.279   5.7114  1168.35  156.608  1395.02  132.333 -226.6716 205.0324 
1 1 1   12   11    7 o  1498.17   84.014   35.530   3.9253   39.539   4.8231   27.665   6.7553  1577.64   98.119  1298.19  170.293 279.4515 196.5372 
1 1 1   12   11    9 o  2696.47  176.778  118.667   14.843   0.0000   0.0000  118.667   14.843  ?   ?   2696.47  176.778 0.000000 176.7783 
1 1 1   12   11   11 o  1484.00  146.523   35.766   6.7197   0.0000   0.0000   35.766   6.7197  ?   ?   1484.00  146.523 0.000000 146.5231 
1 1 1   12   11   13 o  1553.77  102.192   38.513   4.9442   45.260   7.0072   31.823   6.9771  1673.89  134.834  1391.34  163.251 282.5449 211.7335 
1 1 1   12   11   15 o  312.092  124.587   0.8214   1.8364   0.8214   1.8364   0.0000   0.0000  312.092  124.587  ?   ?  0.000000 124.5870 
1 1 1   12   11   17 o  1567.25   86.392   39.073   4.2233   44.175   5.1941   29.118   7.2549  1662.30  100.258  1316.51  180.762 345.7942 206.7042 
1 1 1   12   11   19 o  606.476  102.760   6.0349   1.8818   6.7388   2.3463   4.7657   3.1505  636.538  122.158  536.250  168.425 100.2875 208.0616 
1 1 1   12   11   21 o  1064.24   85.586   18.143   2.8279   20.121   3.5584   14.752   4.6591  1115.63  103.026  929.868  166.113 185.7621 195.4682 
1 1 1   12   11   23 o  591.649  122.721   5.8714   2.1990   7.6082   2.5465   0.7788   4.3605  674.786  125.128  435.079  184.484 239.7071 222.9154 
1 1 1   12   11   25 o  1184.51  109.152   22.752   4.0029   22.752   4.0029   0.0000   0.0000  1184.51  109.152  ?   ?  0.000000 109.1522 
1 1 1   12   11   27 o  1715.66   90.092   47.073   4.8229   44.600   5.7905   52.674   8.7147  1660.36  112.033  1777.52  158.229 -117.1620 193.8757 
1 1 1   12   11   29 o  1472.77  147.377   36.071   6.7052   36.071   6.7052   0.0000   0.0000  1472.77  147.377  ?   ?  0.000000 147.3773 
1 1 1   12   11   31 o  633.478  213.317   6.9562   5.0087   6.9562   5.0087   0.0000   0.0000  633.478  213.317  ?   ?  0.000000 213.3174 
1 1 1   12   11   33 o  2832.03  127.433  131.932   11.300  131.932   11.300   0.0000   0.0000  2832.03  127.433  ?   ?  0.000000 127.4327 
1 1 1   12   11   35 o  1673.34  103.736   45.621   5.4086   46.190   6.3542   44.125   10.304  1671.22  122.275  1548.11  218.656 123.1091 250.5222 
1 1 1   12   11   37 o  3149.69  121.222  164.557   11.955  163.710   14.397  166.438   21.459  3098.52  148.387  2945.26  234.627 153.2649 277.6124 
1 1 1   12   11   39 o  1123.19  110.928   21.217   3.8503   23.399   4.2976   12.339   8.6682  1174.40  118.486  730.188  276.359 444.2113 300.6876 
1 1 1   12   11   41 o  865.485  209.072   16.113   5.6024   18.221   7.3230   13.138   8.6995  853.963  254.643  683.617  271.712 170.3458 372.3847 
1 1 1   12   11   43 o  582.906  217.986   8.9148   5.3584   10.870   7.0866   6.3054   8.1880  597.997  242.609  511.174  232.715 86.82269 336.1778 
1 1 1   12   11   45 o  692.233  235.029   15.254   6.0807   7.1596   7.9040   26.992   9.5180  478.192  221.660  766.727  289.732 -288.5354 364.7984 
1 1 1   12   11   47 o  353.708  170.108   0.4181   5.5273  -0.5881   7.4060   1.6833   8.3045  365.060  180.087  387.951  191.250 -22.89050 262.6931 
1 1 1   12   11   49 o  282.157  141.075  -4.5921   5.1902  -4.7694   7.5527  -4.4335   7.1444  315.316  159.259  312.619  157.528 2.696686 224.0056 
1 1 1   12   11   51 o  339.118  166.226   4.7211   5.9905   3.3858   8.6424   5.9559   8.3109  327.295  165.812  339.666  170.995 -12.37088 238.1868 
1 1 1   12   12    0 f  1236.46   98.950   24.312   3.7989   32.928   5.6368   17.141   5.1421  1433.81  126.861  1020.62  166.655 413.1880 209.4460 
1 1 1   12   12    2 o  2353.01  165.081   89.462   12.086   0.0000   0.0000   89.462   12.086  ?   ?   2353.01  165.081 0.000000 165.0805 
1 1 1   12   12    4 o  1664.63  104.016   44.048   5.3945   47.926   7.6467   40.204   7.6114  1725.47  142.813  1574.97  156.407 150.4974 211.7990 
1 1 1   12   12    6 o  2088.21  110.863   69.402   7.2231   76.259   10.210   62.534   10.219  2174.46  150.895  1961.09  168.045 213.3678 225.8506 
1 1 1   12   12    8 o  2202.84  161.310   78.685   11.049   0.0000   0.0000   78.685   11.049  ?   ?   2202.84  161.310 0.000000 161.3102 
1 1 1   12   12   10 f  671.826   96.458   7.2888   1.9709   6.7817   2.4713   8.1752   3.2671  640.920  127.625  699.532  153.382 -58.61206 199.5351 
1 1 1   12   12   12 o  1248.17  157.375   25.554   6.0140   25.554   6.0140   0.0000   0.0000  1248.17  157.375  ?   ?  0.000000 157.3746 
1 1 1   12   12   14 f  388.795  131.234   2.2793   1.8957   3.9161   3.4726   1.5843   2.2626  510.487  177.455  369.815  140.898 140.6722 226.5887 
1 1 1   12   12   16 o  1477.19   86.907   34.710   4.0021   36.566   4.9541   31.224   6.7903  1510.80  105.382  1374.70  160.786 136.0970 192.2439 
1 1 1   12   12   18 o  444.805  134.024   3.2434   2.0208   2.8631   2.3427   4.3492   3.9946  431.298  145.885  535.677  190.002 -104.3781 239.5481 
1 1 1   12   12   20 o  606.402  127.133   6.1594   2.3368   6.1594   2.3368   0.0000   0.0000  606.402  127.133  ?   ?  0.000000 127.1329 
1 1 1   12   12   22 o  567.808  125.387   5.4091   2.1698   6.8295   2.4965   1.0227   4.3870  638.503  129.301  444.284  186.527 194.2195 226.9605 
1 1 1   12   12   24 o  1740.85  112.297   48.869   6.0887   48.869   6.0887   0.0000   0.0000  1740.85  112.297  ?   ?  0.000000 112.2974 
1 1 1   12   12   26 o  437.591  150.273   2.9245   2.4866   2.9245   2.4866   0.0000   0.0000  437.591  150.273  ?   ?  0.000000 150.2733 
1 1 1   12   12   28 o  499.590  141.914   4.1951   2.3241   4.1951   2.3241   0.0000   0.0000  499.590  141.914  ?   ?  0.000000 141.9141 
1 1 1   12   12   30 o  1365.57  100.650   30.084   4.2734   32.671   5.0050   23.125   8.2091  1417.71  113.703  1120.91  241.049 296.7947 266.5204 
1 1 1   12   12   32 o  1649.05   91.358   43.691   4.6989   37.837   5.4574   60.472   9.2395  1522.67  115.318  1895.88  157.053 -373.2129 194.8437 
1 1 1   12   12   34 o  1849.60  129.204   56.545   7.4359   52.469   10.209   61.150   10.852  1728.19  191.898  1870.86  187.787 -142.6747 268.4933 
1 1 1   12   12   36 o  2018.19  104.163   66.413   6.5601   70.160   7.6763   56.266   12.632  2061.72  119.418  1717.52  241.569 344.2031 269.4738 
1 1 1   12   12   38 o  622.601  137.117   6.8190   2.6008   7.9713   2.7783  -1.3459   7.3956  674.847  136.175  476.216  218.446 198.6316 257.4151 
1 1 1   12   12   40 o  1009.89  119.851   17.697   3.7160   18.135   4.0489   15.359   9.3579  1013.50  130.624  747.042  286.081 266.4567 314.4916 
1 1 1   12   12   42 o  322.557  156.338  -4.6810   4.8949  -2.6378   6.2950  -7.8057   7.7847  387.635  185.116  376.200  185.401 11.43546 261.9949 
1 1 1   12   12   44 o  1243.79  192.453   35.130   7.2533   45.243   9.7096   22.361   10.910  1284.27  250.446  670.611  288.277 613.6626 381.8725 
1 1 1   12   12   46 o  288.830  144.296  -7.4518   5.3804  -7.1222   6.9901  -7.9310   8.4280  327.597  163.783  346.717  174.242 -19.12054 239.1340 
1 1 1   12   12   48 o  251.198  127.422 -10.9810   5.2156 -11.0914   7.4071 -10.8723   7.3452  296.713  150.646  296.652  150.556 0.6015015E-01 212.9822 
1 1 1   12   12   50 o  303.794  151.582  -1.8975   5.8568  -5.8036   8.5399   1.5711   8.0475  ?   ?   339.604  170.616 0.000000 170.6159 
1 1 1   12   13    1 o  3891.35  220.423  249.554   26.748   0.0000   0.0000  249.554   26.748  ?   ?   3891.35  220.423 0.000000 220.4225 
1 1 1   12   13    3 o  1746.25  152.783   49.254   8.2700   0.0000   0.0000   49.254   8.2700  ?   ?   1746.25  152.783 0.000000 152.7835 
1 1 1   12   13    5 o  2921.33  125.163  135.871   11.449  148.652   16.298  123.417   16.088  3028.64  172.568  2750.06  187.950 278.5759 255.1569 
1 1 1   12   13    7 o  979.686  150.080   15.732   4.4572   0.0000   0.0000   15.732   4.4572  ?   ?   979.686  150.080 0.000000 150.0796 
1 1 1   12   13    9 o  675.131   94.577   7.3477   1.9445   8.0171   2.4363   6.1730   3.2274  701.393  114.912  607.985  165.216 93.40765 201.2491 
1 1 1   12   13   11 o  1566.89   85.899   38.916   4.1984   42.332   5.2022   32.534   7.1099  1630.30  102.427  1408.81  164.258 221.4874 193.5773 
1 1 1   12   13   13 o  1248.94   88.012   24.808   3.4199   23.998   4.0883   26.696   6.2414  1223.50  107.815  1273.99  159.985 -50.48962 192.9232 
1 1 1   12   13   15 o  2242.00  171.675   82.852   11.960   0.0000   0.0000   82.852   11.960  ?   ?   2242.00  171.675 0.000000 171.6752 
1 1 1   12   13   17 o  487.089  181.529   3.1840   3.7097   3.1840   3.7097   0.0000   0.0000  487.089  181.529  ?   ?  0.000000 181.5290 
1 1 1   12   13   21 o  380.523  135.346   2.0586   2.0283   2.0586   2.0283   0.0000   0.0000  380.523  135.346  ?   ?  0.000000 135.3460 
1 1 1   12   13   23 o  1325.83  144.794   28.865   5.9134   28.865   5.9134   0.0000   0.0000  1325.83  144.794  ?   ?  0.000000 144.7943 
1 1 1   12   13   25 o  1108.58  103.262   19.780   3.5433   21.988   4.2127   14.440   6.5506  1164.97  117.071  900.198  231.189 264.7726 259.1402 
1 1 1   12   13   27 o  1432.34   93.485   32.814   4.1698   34.741   4.9536   28.127   7.7243  1468.68  108.482  1278.85  199.399 189.8284 226.9986 
1 1 1   12   13   29 o  1070.12  102.293   18.504   3.3859   18.147   3.8861   19.631   6.8989  1053.60  119.931  1050.63  216.895 2.972168 247.8447 
1 1 1   12   13   31 f  1124.07  101.938   20.447   3.5489   20.719   3.9739   19.374   7.8878  1127.01  114.185  1018.60  249.323 108.4086 274.2263 
1 1 1   12   13   33 o  378.919  133.415   2.1275   1.9661   1.1188   2.0629   12.119   6.4927  335.227  132.605  805.528  239.675 -470.3018 273.9124 
1 1 1   12   13   35 o  2475.67  111.486   99.780   8.6423   94.443   10.286  112.594   15.938  2380.54  138.590  2513.76  204.245 -133.2205 246.8263 
1 1 1   12   13   37 o  1069.86  106.749   18.934   3.5283   20.988   3.8412   7.8436   8.9253  1124.78  110.491  666.566  271.573 458.2148 293.1901 
1 1 1   12   13   39 o  1966.26  106.875   64.831   6.5554   67.148   7.5988   58.086   12.962  1979.91  123.180  1616.18  265.348 363.7267 292.5452 
1 1 1   12   13   41 o  1444.26  139.111   38.063   6.2132   43.944   7.4601   24.746   11.226  1520.41  159.054  840.247  315.261 680.1588 353.1112 
1 1 1   12   13   43 o  589.976  224.398   9.3865   5.7330   10.326   7.3569   7.9346   9.1481  584.301  243.139  534.209  244.277 50.09161 344.6562 
1 1 1   12   13   45 o  380.207  179.547   0.2938   5.6048  -0.6243   7.1544   1.7527   9.0182  393.636  190.340  432.723  210.303 -39.08652 283.6486 
1 1 1   12   13   47 o  375.189  178.383   1.5345   5.7139  -0.4889   7.6589   4.0743   8.5808  375.011  184.636  415.592  202.682 -40.58142 274.1721 
1 1 1   12   13   49 o  339.730  167.092   0.2058   6.2182  -0.1711   9.1410   0.5304   8.4834  355.609  179.062  356.325  178.483 -0.7162781 252.8226 
1 1 1   12   14    0 o  1881.95  159.747   57.223   9.3247   57.223   9.3247   0.0000   0.0000  1881.95  159.747  ?   ?  0.000000 159.7471 
1 1 1   12   14    2 o  964.444  105.710   14.896   3.1400   16.918   4.7678   13.348   4.1729  1016.65  154.646  901.047  153.396 115.6031 217.8203 
1 1 1   12   14    4 o  1275.89  102.328   25.923   4.0537   31.162   5.9633   21.422   5.5272  1390.50  138.816  1144.97  158.412 245.5282 210.6278 
1 1 1   12   14    6 f  748.817  136.724   9.2204   3.0877   8.8538   4.2246   9.6407   4.5240  725.003  185.371  755.591  191.089 -30.58820 266.2285 
1 1 1   12   14    8 o  1379.42  110.305   30.392   4.7245   28.745   6.5812   32.144   6.7866  1326.22  161.835  1405.11  156.930 -78.88513 225.4274 
1 1 1   12   14   10 o  439.257  175.546   1.7089   3.6501   0.0000   0.0000   1.7089   3.6501  ?   ?   439.257  175.546 0.000000 175.5459 
1 1 1   12   14   12 o  2003.34  165.227   65.603   10.272   65.603   10.272   0.0000   0.0000  2003.34  165.227  ?   ?  0.000000 165.2271 
1 1 1   12   14   14 o  553.466  136.493   5.1232   2.3507   5.1232   2.3507   0.0000   0.0000  553.466  136.493  ?   ?  0.000000 136.4932 
1 1 1   12   14   16 o  1165.13  112.839   21.888   4.0651   21.888   4.0651   0.0000   0.0000  1165.13  112.839  ?   ?  0.000000 112.8385 
1 1 1   12   14   18 o  412.068  175.175   0.3839   3.9486   0.3839   3.9486   0.0000   0.0000  412.068  175.175  ?   ?  0.000000 175.1749 
1 1 1   12   14   22 o  1088.79  132.806   19.337   4.4339   19.039   6.2798   19.634   6.2612  1056.21  197.131  1074.63  193.174 -18.42371 276.0011 
1 1 1   12   14   24 o  694.768  110.446   7.8874   2.3223   5.8694   2.6070   15.644   5.1111  591.054  142.521  962.256  176.123 -371.2015 226.5643 
1 1 1   12   14   26 o  390.082  131.472   2.3172   1.9026   2.5285   2.0556   1.0544   5.0252  406.310  136.658  473.492  199.257 -67.18130 241.6165 
1 1 1   12   14   28 o  951.981  108.191   14.695   3.1678   13.864   3.5562   17.885   6.9706  918.432  127.061  1001.20  227.513 -82.76843 260.5894 
1 1 1   12   14   30 o  437.626  142.472   3.0611   2.2392   2.4343   2.3699   8.2779   6.8365  410.115  146.253  701.377  248.587 -291.2622 288.4184 
1 1 1   12   14   32 o  2227.18   98.186   79.481   6.8473   75.607   8.0581   89.546   12.988  2157.25  119.765  2295.14  182.224 -137.8965 218.0580 
1 1 1   12   14   34 o  1992.01   99.115   63.874   6.1822   57.777   7.2117   80.775   12.007  1877.00  123.390  2169.37  178.339 -292.3732 216.8636 
1 1 1   12   14   36 o  1531.67  105.499   38.424   5.0289   40.842   5.7627   30.704   10.298  1570.74  118.030  1222.39  275.633 348.3424 299.8413 
1 1 1   12   14   38 o  1198.73  112.284   24.172   4.1655   25.257   4.5891   19.094   9.9262  1218.14  121.952  870.810  300.174 347.3326 324.0014 
1 1 1   12   14   40 o  536.538  143.081   5.3600   2.4479   5.5920   2.5479   2.5760   8.8258  546.522  146.080  521.007  238.861 25.51483 279.9891 
1 1 1   12   14   42 o  970.055  117.443   16.776   3.4946   16.839   3.7398   16.341   9.8128  962.132  127.259  684.151  282.422 277.9813 309.7693 
1 1 1   12   14   44 o  192.034   89.997  -1.0671   1.3615  -0.7999   1.3756 -13.9137   9.5389  201.053   92.940  359.341  181.188 -158.2885 203.6337 
1 1 1   12   14   46 o  442.126  213.246   4.3950   8.8434   0.0000   0.0000   4.3950   8.8434  ?   ?   442.126  213.246 0.000000 213.2460 
1 1 1   12   14   48 o  498.411  231.517   14.528   8.6905   0.0000   0.0000   14.528   8.6905  ?   ?   498.411  231.517 0.000000 231.5168 
1 1 1   12   15    1 o  3396.55  139.911  184.108   14.880  187.943   21.016  180.253   21.071  3394.14  198.612  3320.34  203.654 73.80835 284.4674 
1 1 1   12   15    3 o  3241.58  135.679  167.597   13.772  157.708   19.431  177.578   19.521  3104.94  200.939  3303.11  189.534 -198.1680 276.2238 
1 1 1   12   15    5 o  547.562  186.295   4.5590   3.8205   4.5590   3.8205   0.0000   0.0000  547.562  186.295  ?   ?  0.000000 186.2951 
1 1 1   12   15    7 o  1595.89  158.661   41.380   7.8234   41.380   7.8234   0.0000   0.0000  1595.89  158.661  ?   ?  0.000000 158.6605 
1 1 1   12   15    9 o  1410.49  164.311   32.574   7.1209   32.574   7.1209   0.0000   0.0000  1410.49  164.311  ?   ?  0.000000 164.3106 
1 1 1   12   15   13 o  1147.77  119.307   21.254   4.2252   22.045   5.9069   20.426   6.0461  1152.91  168.607  1104.32  181.132 48.58752 247.4619 
1 1 1   12   15   15 o  1343.23  171.443   29.864   7.0464   29.864   7.0464   0.0000   0.0000  1343.23  171.443  ?   ?  0.000000 171.4431 
1 1 1   12   15   17 o  1236.50  123.672   24.689   4.7241   18.960   6.6437   30.547   6.7186  1052.19  209.020  1363.56  160.425 -311.3766 263.4875 
1 1 1   12   15   19 o  712.430  119.091   8.3077   2.5629   10.355   2.9313   1.6651   5.2805  796.654  121.343  501.998  207.198 294.6566 240.1145 
1 1 1   12   15   21 o  642.149  216.845   6.5813   5.1759   0.0000   0.0000   6.5813   5.1759  ?   ?   642.149  216.845 0.000000 216.8454 
1 1 1   12   15   23 o  514.288  180.448   3.9340   3.5947   2.8369   5.1791   4.9538   4.9934  527.475  209.648  584.275  211.805 -56.80048 298.0157 
1 1 1   12   15   25 f  274.028  131.168  -4.2663   3.2001  -5.6575   4.6824  -3.0470   4.3835  336.822  160.518  361.333  166.637 -24.51132 231.3739 
1 1 1   12   15   27 o  1225.89  108.288   24.197   4.1139   24.197   4.1139   0.0000   0.0000  1225.89  108.288  ?   ?  0.000000 108.2877 
1 1 1   12   15   29 f  1068.98  102.078   18.411   3.3753   17.654   3.7526   21.621   7.7234  1041.95  117.043  1102.52  231.109 -60.57458 259.0572 
1 1 1   12   15   31 o  1296.56  103.610   27.087   4.1713   27.132   4.6894   26.919   9.1291  1292.60  117.133  1217.24  247.938 75.36292 274.2137 
1 1 1   12   15   33 o  1052.32  154.062   18.702   4.9261   18.702   4.9261   0.0000   0.0000  1052.32  154.062  ?   ?  0.000000 154.0622 
1 1 1   12   15   35 o  1364.45  109.407   30.506   4.6350   35.190   5.2598   14.228   9.8052  1462.18  115.830  828.276  297.263 633.9082 319.0324 
1 1 1   12   15   37 o  520.630  159.612   4.8579   2.8488   5.3781   3.1107   2.1528   7.0936  544.563  166.760  522.492  228.442 22.07086 282.8333 
1 1 1   12   15   39 o  721.458  148.865   9.5348   3.2514   8.0930   3.4709   19.862   9.2893  649.904  168.984  867.331  290.513 -217.4269 336.0854 
1 1 1   12   15   41 o  554.867  154.784   5.9749   2.7910   5.3836   2.9184   12.309   9.5513  523.490  161.724  648.598  273.918 -125.1082 318.0968 
1 1 1   12   15   43 o  411.087  144.918   3.1829   2.3204   2.9203   2.3850   7.8345   10.038  399.285  146.130  540.219  250.196 -140.9339 289.7445 
1 1 1   12   15   45 o  311.421  155.649  -9.2614   6.2913 -11.5773   8.9350  -6.9842   8.8600  354.081  178.128  377.826  188.185 -23.74487 259.1197 
1 1 1   12   15   47 f  494.191  218.695   9.0933   6.6850   26.495   10.438  -3.0100   8.7047  650.514  280.802  375.612  186.992 274.9016 337.3665 
1 1 1   12   16    0 o  1783.15  159.358   51.411   8.8040   51.411   8.8040   0.0000   0.0000  1783.15  159.358  ?   ?  0.000000 159.3579 
1 1 1   12   16    2 o  358.575  155.931  -0.4446   3.2665  -0.4446   3.2665   0.0000   0.0000  358.575  155.931  ?   ?  0.000000 155.9306 
1 1 1   12   16    4 o  562.925  189.944   4.8736   3.9713   4.8736   3.9713   0.0000   0.0000  562.925  189.944  ?   ?  0.000000 189.9442 
1 1 1   12   16    6 o  907.023  192.380   13.881   5.2944   13.881   5.2944   0.0000   0.0000  907.023  192.380  ?   ?  0.000000 192.3805 
1 1 1   12   16    8 o  2352.12  172.062   90.104   12.585   0.0000   0.0000   90.104   12.585  ?   ?   2352.12  172.062 0.000000 172.0621 
1 1 1   12   16   10 o  273.502  131.526  -4.7857   3.3030   0.0000   0.0000  -4.7857   3.3030  ?   ?   273.502  131.526 0.000000 131.5258 
1 1 1   12   16   12 o  539.323  196.781   4.0308   4.3202   0.0000   0.0000   4.0308   4.3202  ?   ?   539.323  196.781 0.000000 196.7808 
1 1 1   12   16   14 o  554.570  169.711   5.0197   3.2224   7.3562   4.6672   2.8912   4.4546  665.638  204.334  507.074  196.531 158.5634 283.5075 
1 1 1   12   16   16 o  563.404  201.852   4.5679   4.5192   0.0000   0.0000   4.5679   4.5192  ?   ?   563.404  201.852 0.000000 201.8518 
1 1 1   12   16   18 o  798.739  162.298   10.646   3.9207   6.3898   5.5134   15.001   5.5767  644.657  223.627  941.877  195.489 -297.2205 297.0274 
1 1 1   12   16   20 o  1192.71  130.779   22.994   4.8040   26.762   6.8920   19.432   6.6999  1272.07  177.896  1070.24  207.416 201.8324 273.2549 
1 1 1   12   16   22 o  437.721  143.136   2.9811   2.2592   5.1838   2.4873  -7.4002   5.3998  557.487  142.073  351.587  168.845 205.8994 220.6659 
1 1 1   12   16   24 o  1080.35  107.693   18.755   3.5945   18.320   4.1257   20.126   7.3233  1062.48  126.498  1078.15  224.232 -15.67395 257.4528 
1 1 1   12   16   26 o  1442.21  137.688   33.821   6.1424   34.884   8.3548   32.571   9.0613  1441.80  189.663  1378.65  217.084 63.15576 288.2662 
1 1 1   12   16   28 o  1357.14  201.561   31.373   8.3052   31.373   8.3052   0.0000   0.0000  1357.14  201.561  ?   ?  0.000000 201.5613 
1 1 1   12   16   30 o  597.839  153.075   6.0637   2.8779   6.7727   3.1067   1.7741   7.6416  630.864  157.697  574.094  243.865 56.77039 290.4109 
1 1 1   12   16   32 o  803.119  137.338   10.795   3.3296   10.795   3.3296   0.0000   0.0000  803.119  137.338  ?   ?  0.000000 137.3380 
1 1 1   12   16   34 o  1572.24  126.957   40.863   6.1969   45.624   7.6874   32.027   10.472  1644.29  150.996  1278.79  269.992 365.5061 309.3466 
1 1 1   12   16   36 o  1132.10  126.408   21.647   4.4045   19.556   5.1732   27.159   8.3976  1051.56  162.339  1172.91  236.811 -121.3553 287.1118 
1 1 1   12   16   38 o  775.630  163.520   11.119   3.8463   16.333   4.3595  -7.1986   8.1708  954.311  150.908  422.083  203.924 532.2288 253.6893 
1 1 1   12   16   40 o  1198.25  123.594   25.112   4.5707   27.090   5.0559   16.266   10.692  1235.15  132.813  732.594  297.717 502.5563 325.9976 
1 1 1   12   16   42 o  414.116  150.343   3.0891   2.5172   4.5120   2.6046 -17.0558   9.8005  481.301  153.373  369.680  186.051 111.6208 241.1181 
1 1 1   12   16   44 o  401.386  192.759  -1.7277   7.0374  -0.8894   9.9869  -2.5546   9.9182  449.193  218.978  436.396  213.904 12.79663 306.1150 
1 1 1   12   16   46 o  487.668  218.543   7.2001   6.8950   14.273   11.610   3.3466   8.5699  530.762  252.893  442.030  212.393 88.73187 330.2512 
1 1 1   12   17    1 o  2512.21  122.325  100.331   9.6225  104.934   13.547   95.643   13.671  2545.69  170.940  2424.85  181.360 120.8408 249.2226 
1 1 1   12   17    3 o  1398.07  116.135   31.238   5.0380   35.095   7.1307   27.393   7.1189  1470.55  157.298  1289.48  181.322 181.0675 240.0424 
1 1 1   12   17    5 o  3108.27  133.753  154.145   13.018  144.187   18.343  164.252   18.478  2967.17  198.570  3175.67  186.648 -208.4932 272.5206 
1 1 1   12   17    7 o  1386.70  118.227   30.771   5.0845   30.506   7.2201   31.031   7.1614  1364.29  172.891  1377.24  169.648 -12.95251 242.2226 
1 1 1   12   17    9 o  1012.22  132.673   16.606   4.1038   18.252   5.8462   15.007   5.7621  1046.66  185.154  942.311  201.395 104.3518 273.5731 
1 1 1   12   17   11 o  808.461  149.195   10.784   3.6377   12.772   5.1000   8.7253   5.1902  870.470  192.244  722.295  214.148 148.1744 287.7801 
1 1 1   12   17   13 o  1952.58  118.155   60.755   7.1900   63.442   10.204   58.106   10.133  1978.81  166.226  1890.53  173.088 88.28479 239.9805 
1 1 1   12   17   15 o  662.833  174.175   7.3458   3.6622   4.9018   5.3578   9.4890   5.0171  597.611  218.975  750.291  206.872 -152.6807 301.2415 
1 1 1   12   17   17 o  715.009  173.648   8.5717   3.8490   12.706   5.2286   3.6806   5.6870  867.422  196.993  571.729  221.928 295.6930 296.7462 
1 1 1   12   17   19 o  384.742  163.004   0.2585   3.3997   0.2395   5.0490   0.2742   4.5983  462.277  197.339  443.336  188.766 18.94083 273.0849 
1 1 1   12   17   21 o  532.986  185.682   4.2194   3.8030   8.1756   5.5515   0.7212   5.2203  703.908  223.872  479.451  202.496 224.4571 301.8664 
1 1 1   12   17   23 o  1392.17  137.799   31.369   5.9281   32.538   8.2165   30.100   8.5613  1397.11  192.969  1334.71  211.932 62.39990 286.6225 
1 1 1   12   17   25 o  628.593  140.721   6.5964   2.7008   6.4099   2.9146   7.7297   7.1842  618.024  151.727  708.514  254.432 -90.48999 296.2377 
1 1 1   12   17   27 o  600.702  143.175   6.0487   2.6549   4.1788   2.8343   19.436   7.5837  508.112  159.774  1052.73  235.906 -544.6150 284.9203 
1 1 1   12   17   31 o  642.421  260.020   4.8326   8.1197   0.0000   0.0000   4.8326   8.1197  ?   ?   642.421  260.020 0.000000 260.0204 
1 1 1   12   17   33 o  679.740  149.618   7.9594   3.0982   7.7535   3.3756   9.0598   7.8046  666.375  163.098  716.354  264.015 -49.97852 310.3302 
1 1 1   12   17   35 o  204.057   95.425  -1.3837   1.5166  -0.9936   1.5548  -9.0285   6.8827  218.575  100.225  379.714  184.352 -161.1387 209.8350 
1 1 1   12   17   37 o  734.221  136.223   9.4438   3.0165   8.1141   3.2911   16.430   7.5436  666.838  159.720  865.869  258.509 -199.0314 303.8704 
1 1 1   12   17   39 o  468.686  157.007   3.9572   2.7132   5.2577   2.9121  -4.6019   7.4706  529.815  161.169  422.530  201.747 107.2840 258.2194 
1 1 1   12   17   41 o  791.635  163.812   12.090   3.9267   15.335   4.1759 -12.6877   11.540  904.753  152.846  434.845  216.290 469.9086 264.8459 
1 1 1   12   17   43 o  507.984  227.171   5.0106   7.4088  -4.7704   10.827   13.623   10.160  449.831  221.093  629.909  274.453 -180.0779 352.4299 
1 1 1   12   17   45 o  491.301  159.967   5.1444   2.8228   5.1444   2.8228   0.0000   0.0000  491.301  159.967  ?   ?  0.000000 159.9672 
1 1 1   12   18    0 o  1519.10  114.889   36.774   5.4245   36.633   7.5671   36.923   7.7801  1502.87  163.437  1507.54  167.656 -4.667236 234.1374 
1 1 1   12   18    2 o  521.962  169.974   4.2511   3.1870   2.2912   4.5222   6.1850   4.4921  494.730  196.132  623.633  201.704 -128.9023 281.3403 
1 1 1   12   18    4 o  365.716  151.497   0.6111   2.8378   3.7459   3.8268  -3.2191   4.2300  518.234  185.738  353.893  163.376 164.3409 247.3668 
1 1 1   12   18    6 o  413.131  177.446  -0.1177   4.1277   0.0000   0.0000  -0.1177   4.1277  ?   ?   413.131  177.446 0.000000 177.4458 
1 1 1   12   18    8 o  650.979  209.938   6.7621   4.8690   0.0000   0.0000   6.7621   4.8690  ?   ?   650.979  209.938 0.000000 209.9379 
1 1 1   12   18   10 o  1168.93  129.216   21.953   4.6505   22.689   6.6693   21.256   6.4881  1172.78  187.960  1133.90  189.417 38.87964 266.8481 
1 1 1   12   18   14 o  573.416  182.702   5.2224   3.6961   10.405   5.4468   0.7994   5.0319  786.432  215.020  476.535  199.903 309.8966 293.5894 
1 1 1   12   18   16 f  826.837  166.480   11.344   4.1611   12.462   6.1026   10.372   5.6886  856.940  224.675  785.074  221.679 71.86542 315.6273 
1 1 1   12   18   18 o  663.177  185.814   7.3270   4.0129   11.010   5.9151   4.1863   5.4622  806.291  225.483  579.809  219.393 226.4818 314.6042 
1 1 1   12   18   20 o  930.140  171.281   14.369   4.8047   17.964   6.7366   10.647   6.8548  1028.62  216.029  796.750  248.141 231.8702 329.0028 
1 1 1   12   18   22 o  1220.02  148.802   24.219   5.5667   25.083   7.7812   23.313   7.9671  1219.93  211.360  1169.62  225.717 50.30261 309.2266 
1 1 1   12   18   24 o  484.185  218.644  -2.9370   7.0517   0.0000   0.0000  -2.9370   7.0517  ?   ?   484.185  218.644 0.000000 218.6439 
1 1 1   12   18   26 o  973.920  271.824   16.853   8.6052   0.0000   0.0000   16.853   8.6052  ?   ?   973.920  271.824 0.000000 271.8236 
1 1 1   12   18   30 o  1314.73  124.825   28.118   5.0771   28.118   5.0771   0.0000   0.0000  1314.73  124.825  ?   ?  0.000000 124.8246 
1 1 1   12   18   32 o  365.320  171.550  -4.2921   4.9893  -8.1709   6.8840  -0.0002   7.2414  397.339  190.770  519.167  228.787 -121.8280 297.8871 
1 1 1   12   18   34 o  411.604  186.337  -1.5087   5.1591   17.736   7.5602 -18.2809   7.0579  946.438  251.003  319.784  160.545 626.6540 297.9551 
1 1 1   12   18   36 o  910.590  108.081   13.815   3.0215   14.036   3.2604   12.474   8.0427  913.524  116.642  762.661  269.699 150.8628 293.8421 
1 1 1   12   18   38 o  335.483  132.186   1.3355   2.0424   2.4545   2.1189 -13.3201   7.6685  390.797  138.406  360.541  178.821 30.25598 226.1263 
1 1 1   12   18   40 o  735.363  141.389   9.8156   3.1374   9.8156   3.1374   0.0000   0.0000  735.363  141.389  ?   ?  0.000000 141.3893 
1 1 1   12   18   42 o  434.916  214.800  -9.0706   10.647  -9.0706   10.647   0.0000   0.0000  434.916  214.800  ?   ?  0.000000 214.8000 
1 1 1   12   18   44 o  625.869  163.756   8.0794   3.2462   8.0794   3.2462   0.0000   0.0000  625.869  163.756  ?   ?  0.000000 163.7559 
1 1 1   12   19    1 o  1262.07  120.505   25.431   4.7043   29.518   6.8329   21.748   6.4864  1349.93  165.090  1150.13  186.498 199.8066 249.0705 
1 1 1   12   19    3 f  1087.86  190.719   19.536   6.2597   0.0000   0.0000   19.536   6.2597  ?   ?   1087.86  190.719 0.000000 190.7188 
1 1 1   12   19    5 o  629.158  210.468   6.0839   4.8755   0.0000   0.0000   6.0839   4.8755  ?   ?   629.158  210.468 0.000000 210.4683 
1 1 1   12   19    7 o  608.690  178.273   6.0473   3.6158   1.5577   5.2618   10.064   4.9772  505.885  207.587  776.071  202.630 -270.1857 290.0878 
1 1 1   12   19    9 o  1195.03  132.280   22.910   4.8668   22.122   6.9683   23.661   6.8003  1156.89  199.570  1200.99  186.910 -44.09961 273.4293 
1 1 1   12   19   11 o  849.911  163.618   11.904   4.1963   11.264   6.0937   12.482   5.7871  819.886  228.711  861.633  215.151 -41.74792 314.0040 
1 1 1   12   19   13 o  1502.61  126.385   36.031   5.8913   40.572   8.4434   31.723   8.2240  1582.69  173.201  1391.04  194.098 191.6478 260.1400 
1 1 1   12   19   15 o  605.661  189.274   5.8899   3.9844   13.550   5.8524  -0.7283   5.4398  896.687  211.811  460.957  200.832 435.7306 291.8861 
1 1 1   12   19   17 o  362.275  161.241  -1.2919   3.6851  -1.5683   5.4941  -1.0658   4.9685  446.452  197.881  432.379  190.058 14.07312 274.3701 
1 1 1   12   19   19 o  435.073  198.218  -3.3768   5.9545   0.0000   0.0000  -3.3768   5.9545  ?   ?   435.073  198.218 0.000000 198.2180 
1 1 1   12   19   21 o  789.148  254.889   10.264   7.1752   0.0000   0.0000   10.264   7.1752  ?   ?   789.148  254.889 0.000000 254.8890 
1 1 1   12   19   23 o  575.395  237.657   2.1780   6.9541   0.0000   0.0000   2.1780   6.9541  ?   ?   575.395  237.657 0.000000 237.6574 
1 1 1   12   19   25 o  1533.62  148.411   38.121   7.0378   27.907   9.4605   50.779   10.531  1271.58  246.503  1751.83  195.312 -480.2502 314.5000 
1 1 1   12   19   27 o  743.599  266.872   8.6852   7.9028   8.6852   7.9028   0.0000   0.0000  743.599  266.872  ?   ?  0.000000 266.8717 
1 1 1   12   19   29 o  467.142  219.548  -6.8935   8.2009   0.0000   0.0000  -6.8935   8.2009  ?   ?   467.142  219.548 0.000000 219.5485 
1 1 1   12   19   31 o  948.019  272.303   17.243   8.5100   17.243   8.5100   0.0000   0.0000  948.019  272.303  ?   ?  0.000000 272.3029 
1 1 1   12   19   33 o  713.671  134.741   8.6671   2.9007   8.0271   3.1257   12.637   7.7850  680.144  150.731  802.686  265.866 -122.5413 305.6218 
1 1 1   12   19   35 o  710.575  242.240   9.8763   6.4598   9.8763   6.4598   0.0000   0.0000  710.575  242.240  ?   ?  0.000000 242.2403 
1 1 1   12   19   37 o  909.488  317.032   20.979   11.087   20.979   11.087   0.0000   0.0000  909.488  317.032  ?   ?  0.000000 317.0323 
1 1 1   12   19   39 o  360.309  141.533   1.6571   2.3348   1.6571   2.3348   0.0000   0.0000  360.309  141.533  ?   ?  0.000000 141.5332 
1 1 1   12   19   41 o  530.539  237.101   3.8143   8.0563   7.5928   11.367   0.0009   11.420  604.938  274.935  528.721  251.614 76.21716 372.6916 
1 1 1   12   19   43 o  680.642  176.426   9.5496   3.7911   12.120   4.0719  -7.1807   10.389  775.279  172.212  436.176  214.808 339.1028 275.3168 
1 1 1   12   20    0 o  372.099  168.761  -2.3859   4.2544   0.0000   0.0000  -2.3859   4.2544  ?   ?   372.099  168.761 0.000000 168.7610 
1 1 1   12   20    2 o  555.401  177.515   4.8290   3.4872   0.8940   4.8695   8.9711   4.9961  474.466  197.655  736.941  207.628 -262.4747 286.6655 
1 1 1   12   20    4 o  655.983  215.417   6.6874   5.1149   0.0000   0.0000   6.6874   5.1149  ?   ?   655.983  215.417 0.000000 215.4171 
1 1 1   12   20    6 o  419.406  186.296  -1.6370   4.8952  -1.6370   4.8952   0.0000   0.0000  419.406  186.296  ?   ?  0.000000 186.2955 
1 1 1   12   20    8 o  1196.51  203.990   23.602   7.3685   23.602   7.3685   0.0000   0.0000  1196.51  203.990  ?   ?  0.000000 203.9896 
1 1 1   12   20   10 o  509.839  188.923   3.2883   4.0067  -4.4801   5.8160   10.306   5.5277  414.170  191.332  786.672  217.243 -372.5025 289.4868 
1 1 1   12   20   12 o  1140.44  142.021   20.955   4.9617   24.275   7.0025   17.609   7.0314  1216.43  190.062  1023.66  225.459 192.7662 294.8819 
1 1 1   12   20   14 o  554.736  217.975   3.0741   5.5395   0.0000   0.0000   3.0741   5.5395  ?   ?   554.736  217.975 0.000000 217.9754 
1 1 1   12   20   16 o  506.626  212.187   0.9657   5.6547   0.0000   0.0000   0.9657   5.6547  ?   ?   506.626  212.187 0.000000 212.1871 
1 1 1   12   20   18 o  524.955  222.167   0.6802   6.3045   0.0000   0.0000   0.6802   6.3045  ?   ?   524.955  222.167 0.000000 222.1674 
1 1 1   12   20   20 f  698.086  216.742   7.9567   5.2344   0.8677   7.0287   16.784   7.8431  554.371  234.597  989.583  252.337 -435.2120 344.5424 
1 1 1   12   20   22 o  858.854  209.620   12.490   5.5878   9.6769   7.4892   16.023   8.3924  776.920  260.847  963.379  268.286 -186.4593 374.1902 
1 1 1   12   20   24 o  1249.14  260.101   27.060   9.8429   0.0000   0.0000   27.060   9.8429  ?   ?   1249.14  260.101 0.000000 260.1013 
1 1 1   12   20   26 o  1083.84  197.578   19.880   6.4583   22.767   8.9412   16.731   9.3385  1136.18  257.299  967.438  287.349 168.7421 385.7100 
1 1 1   12   20   28 o  1029.80  196.520   18.223   6.1057   8.4825   7.9086   32.596   9.6064  729.905  266.256  1364.34  233.245 -634.4344 353.9710 
1 1 1   12   20   30 o  723.627  270.372   8.5911   8.2398   8.5911   8.2398   0.0000   0.0000  723.627  270.372  ?   ?  0.000000 270.3723 
1 1 1   12   20   32 o  943.245  223.827   16.444   6.5114   16.444   6.5114   0.0000   0.0000  943.245  223.827  ?   ?  0.000000 223.8265 
1 1 1   12   20   34 o  327.336  160.907 -10.1700   5.7405 -10.1700   5.7405   0.0000   0.0000  327.336  160.907  ?   ?  0.000000 160.9074 
1 1 1   12   20   36 o  510.443  164.587   4.5595   2.9927   4.5595   2.9927   0.0000   0.0000  510.443  164.587  ?   ?  0.000000 164.5871 
1 1 1   12   20   38 o  300.892  146.961  -6.9653   4.5588  -6.1432   5.4571  -8.8644   8.2939  348.137  167.816  416.490  202.244 -68.35260 262.8022 
1 1 1   12   20   40 o  425.152  201.189  -3.5444   7.1044  -4.6146   11.379  -2.8608   9.0946  506.377  243.663  479.936  227.264 26.44180 333.1979 
1 1 1   12   21    1 o  366.418  169.095  -3.5229   4.5250   0.0000   0.0000  -3.5229   4.5250  ?   ?   366.418  169.095 0.000000 169.0951 
1 1 1   12   21    5 o  684.270  225.699   7.2514   5.6126   7.2514   5.6126   0.0000   0.0000  684.270  225.699  ?   ?  0.000000 225.6989 
1 1 1   12   21    7 o  429.300  192.199  -2.1997   5.3190   0.0000   0.0000  -2.1997   5.3190  ?   ?   429.300  192.199 0.000000 192.1986 
1 1 1   12   21   11 o  795.388  230.756   10.467   6.0839   0.0000   0.0000   10.467   6.0839  ?   ?   795.388  230.756 0.000000 230.7559 
1 1 1   12   21   13 o  388.240  180.442  -4.5513   5.2908   0.0000   0.0000  -4.5513   5.2908  ?   ?   388.240  180.442 0.000000 180.4416 
1 1 1   12   21   15 o  742.810  205.243   9.1643   4.9323   6.4118   7.0700   11.774   6.8844  686.750  251.557  840.791  245.913 -154.0414 351.7870 
1 1 1   12   21   17 o  496.550  200.378   1.8895   4.8064   5.1264   6.6624  -1.6235   6.9407  642.418  242.490  507.533  223.806 134.8852 329.9858 
1 1 1   12   21   19 o  535.670  233.101  -0.7619   7.3095   0.0000   0.0000  -0.7619   7.3095  ?   ?   535.670  233.101 0.000000 233.1009 
1 1 1   12   21   21 o  393.585  181.607  -3.8745   5.2168  -2.9418   6.7970  -5.2115   8.1382  478.199  215.418  498.020  228.707 -19.82086 314.1844 
1 1 1   12   21   23 o  513.008  215.822   0.9785   5.8928   4.3018   7.9191  -3.1448   8.8209  649.600  258.908  547.665  246.179 101.9354 357.2633 
1 1 1   12   21   27 o  774.667  274.148   9.9793   8.3118   9.9793   8.3118   0.0000   0.0000  774.667  274.148  ?   ?  0.000000 274.1484 
1 1 1   12   21   29 o  520.752  216.365   2.0399   5.8131   2.0399   5.8131   0.0000   0.0000  520.752  216.365  ?   ?  0.000000 216.3646 
1 1 1   12   21   31 o  456.265  193.798   0.9526   4.8252  -0.1845   6.0629   2.9173   7.9692  478.106  210.059  592.147  250.148 -114.0410 326.6480 
1 1 1   12   21   33 o  744.849  214.138   10.246   5.2606   8.7761   6.5633   12.887   8.7974  695.298  243.834  808.720  282.373 -113.4221 373.0811 
1 1 1   12   21   35 o  474.760  211.320  -0.1781   6.3306   9.0654   9.8861  -6.6032   8.2422  710.933  287.206  450.230  214.115 260.7033 358.2354 
1 1 1   12   21   37 o  790.571  213.714   12.184   5.4169   15.706   6.5728   4.7266   9.5636  883.393  233.924  614.736  267.067 268.6570 355.0287 
1 1 1   12   21   39 o  488.419  223.850  -0.5209   7.7430 -15.3108   11.899   10.342   10.197  456.345  225.696  687.751  286.228 -231.4064 364.5067 
1 1 1   12   22    0 o  1077.23  150.302   18.715   4.9317   23.854   7.2132   14.204   6.7580  1207.85  197.550  922.433  233.699 285.4190 306.0084 
1 1 1   12   22    2 o  866.837  226.889   12.508   6.2302   0.0000   0.0000   12.508   6.2302  ?   ?   866.837  226.889 0.000000 226.8893 
1 1 1   12   22    4 f  857.323  231.267   12.223   6.3512   0.0000   0.0000   12.223   6.3512  ?   ?   857.323  231.267 0.000000 231.2668 
1 1 1   12   22    6 o  837.906  236.123   11.629   6.4608   0.0000   0.0000   11.629   6.4608  ?   ?   837.906  236.123 0.000000 236.1233 
1 1 1   12   22    8 o  598.809  202.584   5.3668   4.5176   4.6551   6.8700   5.9090   5.9964  639.478  245.064  650.697  232.577 -11.21930 337.8592 
1 1 1   12   22   10 o  1193.48  157.975   22.986   5.7586   32.403   8.2534   14.053   8.0386  1412.22  191.589  918.413  264.904 493.8035 326.9260 
1 1 1   12   22   12 f  999.580  177.900   16.379   5.3640   7.0967   7.8603   24.470   7.3383  724.394  265.260  1221.78  198.642 -497.3840 331.3932 
1 1 1   12   22   14 o  397.590  179.811  -2.5182   4.7900   6.9912   6.7560 -12.1302   6.7924  697.520  247.129  370.198  180.495 327.3221 306.0252 
1 1 1   12   22   16 o  483.380  204.134   0.5011   5.3043  -6.4137   7.0452   9.5500   8.0594  441.914  206.330  789.561  270.568 -347.6461 340.2632 
1 1 1   12   22   18 o  581.987  223.372   3.8674   5.7130  -0.9407   7.5154   10.449   8.7931  541.036  235.880  821.449  282.560 -280.4135 368.0753 
1 1 1   12   22   22 o  448.544  210.173  -6.7888   7.4197  -6.7888   7.4197   0.0000   0.0000  448.544  210.173  ?   ?  0.000000 210.1730 
1 1 1   12   22   24 o  529.085  234.935  -1.7035   7.7787  -1.7035   7.7787   0.0000   0.0000  529.085  234.935  ?   ?  0.000000 234.9354 
1 1 1   12   22   26 o  873.246  294.512   13.421   9.5474   0.0000   0.0000   13.421   9.5474  ?   ?   873.246  294.512 0.000000 294.5120 
1 1 1   12   22   28 f  754.141  200.183   9.9348   4.8059   16.581   5.9798  -2.1901   8.0767  976.047  202.302  522.051  235.030 453.9955 310.1056 
1 1 1   12   22   30 o  630.935  217.633   6.6203   5.2182   14.702   6.7308  -5.5559   8.2615  896.330  236.417  479.095  223.603 417.2346 325.4096 
1 1 1   12   22   32 o  1009.67  232.175   18.866   7.1870   18.866   7.1870   0.0000   0.0000  1009.67  232.175  ?   ?  0.000000 232.1746 
1 1 1   12   22   34 o  528.323  210.371   3.5817   5.2237   7.0914   6.3791  -3.5618   9.1008  644.006  238.432  514.935  238.395 129.0709 337.1673 
1 1 1   12   22   36 o  584.925  214.255   5.8699   5.1287   5.5794   6.0343   6.6257   9.7335  589.052  228.617  661.826  277.849 -72.77399 359.8133 
1 1 1   12   22   38 o  730.846  223.915   10.688   5.6077   7.6658   6.6620   18.035   10.387  636.256  241.921  863.971  306.394 -227.7144 390.3884 
1 1 1   12   23    1 o  1273.98  205.373   26.509   7.9141   0.0000   0.0000   26.509   7.9141  ?   ?   1273.98  205.373 0.000000 205.3729 
1 1 1   12   23    3 f  463.916  194.907   0.5370   4.7955   2.4442   7.2331  -0.9589   6.4058  600.851  244.602  501.330  218.187 99.52060 327.7733 
1 1 1   12   23    5 o  1441.04  144.686   33.146   6.4404   32.121   9.6559   33.967   8.6442  1398.80  228.335  1447.77  195.696 -48.96729 300.7217 
1 1 1   12   23    7 f  617.768  213.713   5.5499   5.0337   5.1683   7.1718   5.9204   7.0667  661.915  251.169  678.300  250.988 -16.38550 355.0786 
1 1 1   12   23    9 o  963.189  188.003   15.261   5.4666   9.7357   8.0455   19.999   7.4507  798.823  270.350  1098.00  224.289 -299.1787 351.2759 
1 1 1   12   23   11 o  750.386  224.044   9.1643   5.6661   11.962   8.3573   6.7839   7.7083  862.766  274.710  714.745  262.537 148.0210 379.9890 
1 1 1   12   23   13 o  952.754  209.703   15.097   6.0865   19.414   8.6143   10.792   8.6009  1073.34  259.229  833.038  279.539 240.3060 381.2374 
1 1 1   12   23   15 o  643.645  259.866   3.3442   8.0882   3.3442   8.0882   0.0000   0.0000  643.645  259.866  ?   ?  0.000000 259.8657 
1 1 1   12   23   17 o  418.690  200.421  -9.9630   7.4729  -9.9630   7.4729   0.0000   0.0000  418.690  200.421  ?   ?  0.000000 200.4210 
1 1 1   12   23   21 f  951.092  219.684   15.410   6.4105   21.862   8.4031   6.4279   9.9150  1128.02  244.927  741.339  291.519 386.6849 380.7525 
1 1 1   12   23   23 o  397.816  179.357  -2.0935   4.7233  -5.9296   5.3743   10.926   9.9006  369.037  174.737  829.673  298.606 -460.6356 345.9751 
1 1 1   12   23   25 o  1292.78  148.869   27.349   5.9162   30.392   7.0513   20.114   10.873  1355.17  169.907  1044.61  310.017 310.5575 353.5237 
1 1 1   12   23   27 o  863.483  232.697   13.226   6.4338   6.7599   9.7102   18.286   8.5899  721.884  287.017  1000.82  268.527 -278.9335 393.0461 
1 1 1   12   23   29 o  1094.37  217.670   21.121   7.1965   18.383   10.402   23.635   9.9671  978.422  305.824  1119.07  283.974 -140.6445 417.3362 
1 1 1   12   23   31 o  472.206  211.867  -1.5270   6.5007   3.7923   9.4679  -6.2712   8.9414  645.195  272.613  491.648  230.482 153.5475 356.9868 
1 1 1   12   23   33 o  381.434  183.425  -7.8627   6.4229  -7.8627   6.4229   0.0000   0.0000  381.434  183.425  ?   ?  0.000000 183.4254 
1 1 1   12   23   35 o  534.118  214.640   3.6018   5.4900   9.1809   6.5969  -8.9666   9.9014  702.263  244.560  480.354  230.139 221.9091 335.8177 
1 1 1   12   24    0 o  1425.30  153.069   32.460   6.7244   34.454   10.549   31.094   8.7273  1448.81  241.000  1382.89  207.986 65.92761 318.3378 
1 1 1   12   24    4 o  379.454  178.890  -6.0756   5.5210   15.544   9.4168 -17.3995   6.8152  971.775  288.531  331.053  164.914 640.7227 332.3354 
1 1 1   12   24    6 o  1147.14  188.389   21.436   6.5319   34.020   10.895   14.374   8.1614  1435.49  251.554  932.209  266.329 503.2844 366.3473 
1 1 1   12   24    8 o  1009.98  305.468   16.836   10.483   16.836   10.483   0.0000   0.0000  1009.98  305.468  ?   ?  0.000000 305.4681 
1 1 1   12   24   10 o  472.467  223.935 -10.2925   8.8698 -10.2925   8.8698   0.0000   0.0000  472.467  223.935  ?   ?  0.000000 223.9346 
1 1 1   12   24   12 o  545.977  243.773  -3.0819   8.4948  -3.0819   8.4948   0.0000   0.0000  545.977  243.773  ?   ?  0.000000 243.7725 
1 1 1   12   24   14 o  384.007  186.795 -12.2935   7.1574 -12.2935   7.1574   0.0000   0.0000  384.007  186.795  ?   ?  0.000000 186.7949 
1 1 1   12   24   16 o  900.160  233.139   13.668   6.6237   20.424   9.1592   6.2600   9.5904  1093.16  269.333  740.297  287.964 352.8657 394.2890 
1 1 1   12   24   18 o  479.479  211.348  -1.3946   6.1831  -1.3959   8.4965  -1.3931   9.0150  566.021  248.677  583.410  256.239 -17.38953 357.0694 
1 1 1   12   24   20 o  594.525  216.407   4.9106   5.2204   2.8585   6.0301   11.050   10.430  561.894  225.250  848.313  306.333 -286.4187 380.2341 
1 1 1   12   24   22 o  1045.94  179.020   18.215   5.6523   12.016   6.7349   32.982   10.395  836.438  242.824  1384.80  248.879 -548.3660 347.7133 
1 1 1   12   24   24 o  536.058  208.279   3.2948   5.0126   6.1303   6.0657  -2.8124   8.9018  644.659  233.480  549.495  247.125 95.16357 339.9760 
1 1 1   12   24   26 o  650.865  212.307   6.9907   4.9714   7.5090   6.2299   6.0820   8.2487  684.194  237.695  684.201  266.808 -0.7019043E-02 357.3308 
1 1 1   12   24   28 o  1046.99  187.485   18.709   5.9208   17.459   7.3363   21.043   10.027  987.696  239.650  1059.70  292.572 -72.00043 378.1936 
1 1 1   12   24   30 o  552.729  232.689   2.0139   6.8572  -0.2069   10.020   3.9705   9.4047  603.529  267.378  654.215  273.792 -50.68585 382.6919 
1 1 1   12   24   32 o  385.342  185.185  -8.0981   6.5207 -17.6930   10.206  -1.4789   8.4766  433.595  213.413  536.392  241.198 -102.7973 322.0587 
1 1 1   12   24   34 o  430.954  201.553  -4.6880   6.7689  -4.6880   6.7689   0.0000   0.0000  430.954  201.553  ?   ?  0.000000 201.5526 
1 1 1   12   25    1 o  1348.01  184.059   29.332   7.5660   27.158   13.218   30.392   9.2270  1267.36  329.886  1363.31  223.922 -95.95789 398.7051 
1 1 1   12   25    3 o  1496.83  304.088   37.569   13.766   37.569   13.766   0.0000   0.0000  1496.83  304.088  ?   ?  0.000000 304.0881 
1 1 1   12   25    5 o  598.308  267.592  -3.9460   10.283  -3.9460   10.283   0.0000   0.0000  598.308  267.592  ?   ?  0.000000 267.5924 
1 1 1   12   25    7 o  1336.74  291.349   30.087   11.851   30.087   11.851   0.0000   0.0000  1336.74  291.349  ?   ?  0.000000 291.3491 
1 1 1   12   25    9 o  1015.10  229.190   17.183   7.1124   20.868   10.420   13.968   9.7319  1110.81  294.722  929.580  296.491 181.2295 418.0528 
1 1 1   12   25   11 o  410.909  190.712  -4.9539   5.8781  -1.6946   8.0352  -8.7061   8.6215  550.057  241.744  478.773  225.044 71.28378 330.2805 
1 1 1   12   25   13 o  435.822  200.278  -4.3752   6.2549   3.2940   8.6699 -12.7002   9.0330  658.873  267.960  453.591  217.977 205.2812 345.4225 
1 1 1   12   25   15 o  874.526  207.119   12.823   5.5842   16.950   6.6852   3.2982   10.157  1004.84  218.682  697.570  287.582 307.2753 361.2831 
1 1 1   12   25   17 o  1043.71  218.147   18.335   6.8997   18.335   6.8997   0.0000   0.0000  1043.71  218.147  ?   ?  0.000000 218.1474 
1 1 1   12   25   19 o  659.487  220.415   6.8241   5.3472   9.7270   6.2604  -1.0057   10.282  765.726  236.919  626.398  274.419 139.3283 362.5414 
1 1 1   12   25   21 o  1081.86  180.104   19.419   5.8867   14.607   7.0438   30.565   10.720  920.414  241.411  1327.14  267.203 -406.7234 360.1065 
1 1 1   12   25   23 o  1041.16  183.126   18.128   5.7522   24.976   6.9670   3.4666   10.195  1224.40  187.708  687.040  286.084 537.3638 342.1674 
1 1 1   12   25   25 o  520.333  208.501   2.5604   5.1642   6.4345   6.4888  -4.1333   8.5292  660.826  241.157  518.450  236.603 142.3762 337.8425 
1 1 1   12   25   27 o  546.467  229.858   1.6060   6.6822  -6.2368   10.112   7.6865   8.9034  541.079  250.775  731.147  279.272 -190.0683 375.3410 
1 1 1   12   25   29 f  591.609  224.674   4.7797   5.7416   3.5611   7.0972   7.0879   9.7676  596.175  242.449  726.495  288.175 -130.3206 376.5984 
1 1 1   12   25   31 o  668.700  231.870   7.4677   5.9270   7.3568   7.2243   7.6960   10.366  683.000  253.564  738.266  295.553 -55.26624 389.4181 
1 1 1   12   26    0 o  900.997  315.297   11.990   10.971   11.990   10.971   0.0000   0.0000  900.997  315.297  ?   ?  0.000000 315.2975 
1 1 1   12   26    2 o  1185.85  314.756   23.768   11.882   23.768   11.882   0.0000   0.0000  1185.85  314.756  ?   ?  0.000000 314.7560 
1 1 1   12   26    4 o  978.805  226.152   15.941   6.7919   8.4429   10.193   21.929   9.1085  807.945  300.947  1144.28  260.107 -336.3353 397.7747 
1 1 1   12   26    6 o  495.859  218.403  -1.6547   6.5906  -9.3194   9.9812   4.2705   8.7758  522.956  244.634  685.211  272.725 -162.2548 366.3668 
1 1 1   12   26    8 o  755.757  254.470   8.7481   7.1277   10.571   10.364   7.1120   9.8186  854.991  305.741  769.138  293.396 85.85266 423.7441 
1 1 1   12   26   10 o  685.810  222.341   7.3841   5.4559   1.2943   6.5277   21.498   9.9376  549.576  228.887  1124.57  282.564 -574.9935 363.6365 
1 1 1   12   26   12 o  1127.95  178.824   20.796   6.1052   15.916   7.4013   31.187   10.800  971.292  243.746  1360.78  262.971 -389.4874 358.5609 
1 1 1   12   26   14 o  390.621  181.480  -4.5371   5.3438  -1.9743   6.3638 -10.6661   9.8412  478.238  212.420  500.740  236.908 -22.50217 318.1944 
1 1 1   12   26   16 o  719.477  228.972   8.3540   5.8066   8.9677   6.9283   6.9054   10.644  753.121  250.877  773.984  302.731 -20.86310 393.1733 
1 1 1   12   26   18 o  580.863  221.576   4.0319   5.5999   1.6656   6.5772   10.267   10.677  554.893  230.315  839.693  308.898 -284.7997 385.3084 
1 1 1   12   26   20 o  780.570  226.408   10.264   5.8573   10.017   7.0268   10.828   10.603  780.824  252.244  846.622  308.377 -65.79840 398.4010 
1 1 1   12   26   22 o  529.651  213.688   2.3824   5.4648   11.067   6.6727 -15.3074   9.5235  807.747  243.575  443.831  215.797 363.9162 325.4184 
1 1 1   12   26   24 o  521.133  212.435   2.1080   5.4651   6.6352   6.9088  -5.4610   8.9332  677.636  248.604  517.914  238.498 159.7211 344.5070 
1 1 1   12   26   26 o  521.985  227.112  -0.2567   6.9368   2.1564   10.577  -2.0778   9.1888  669.946  285.798  567.993  253.573 101.9535 382.0730 
1 1 1   12   26   28 o  612.789  242.969   4.2999   6.9408   14.481   9.9809  -5.2338   9.6585  900.242  301.135  538.125  247.874 362.1171 390.0306 
1 1 1   12   26   30 o  673.903  255.706   6.6280   7.4331   5.3803   10.237   8.0194   10.810  702.143  289.000  759.854  302.608 -57.71100 418.4407 
1 1 1   12   27    1 o  760.078  257.955   8.7329   7.3248   3.5665   10.946   12.923   9.8574  731.326  299.665  905.858  299.125 -174.5325 423.4092 
1 1 1   12   27    3 o  787.216  253.115   9.8101   7.0818   10.421   10.105   9.2208   9.9273  849.085  302.091  818.785  298.364 30.29999 424.5939 
1 1 1   12   27    5 o  833.422  262.785   11.180   7.6618   18.821   11.248   4.5645   10.465  1060.10  315.471  735.235  296.034 324.8685 432.6177 
1 1 1   12   27    7 o  1035.38  245.177   17.993   7.8259   8.1628   11.398   26.761   10.765  823.484  315.635  1257.93  280.442 -434.4495 422.2240 
1 1 1   12   27    9 o  834.703  262.828   11.287   7.6667   11.287   7.6667   0.0000   0.0000  834.703  262.828  ?   ?  0.000000 262.8280 
1 1 1   12   27   11 o  396.089  185.710  -5.7514   5.8085  -3.1228   7.0822 -11.1528   10.152  489.980  220.386  508.298  240.526 -18.31766 326.2250 
1 1 1   12   27   13 o  542.141  221.391   1.9599   5.9489   3.0682   7.1549  -0.5222   10.707  608.073  244.796  653.259  283.192 -45.18597 374.3293 
1 1 1   12   27   15 o  605.875  231.543   4.3093   6.1222   6.8959   7.1654  -2.6845   11.782  700.612  253.762  653.291  289.659 47.32074 385.0940 
1 1 1   12   27   17 f  666.178  232.809   6.5926   5.9807   14.185   7.1711 -10.7531   10.839  913.918  245.409  532.176  250.818 381.7422 350.9061 
1 1 1   12   27   19 o  654.264  228.808   6.3818   5.7774   2.0498   7.3107   13.587   9.4283  587.389  243.229  902.618  292.247 -315.2283 380.2216 
1 1 1   12   27   21 o  755.025  227.862   9.5135   5.8378   4.7547   7.3266   17.788   9.6611  645.557  251.533  1009.93  290.151 -364.3706 384.0002 
1 1 1   12   27   23 o  682.928  283.731   3.3012   9.9957   0.0000   0.0000   3.3012   9.9957  ?   ?   682.928  283.731 0.000000 283.7310 
1 1 1   12   27   25 o  705.040  292.218   4.0286   10.566   0.0000   0.0000   4.0286   10.566  ?   ?   705.040  292.218 0.000000 292.2181 
1 1 1   12   27   27 o  519.321  228.038  -0.7987   7.1363  -0.2374   10.473  -1.2852   9.7505  631.027  276.688  595.825  263.874 35.20178 382.3427 
1 1 1   12   28    0 o  612.055  235.837   4.0861   6.3857   8.9289   8.2424  -3.1848   10.099  781.133  273.289  601.225  267.297 179.9081 382.2753 
1 1 1   12   28    2 o  500.853  217.268  -0.7618   6.3108   9.5676   8.0089 -17.6798   10.250  793.747  269.730  458.266  223.058 335.4810 350.0130 
1 1 1   12   28    4 o  640.132  245.017   4.6603   6.8622   11.940   8.5476  -8.5382   11.509  864.481  278.093  582.466  269.106 282.0151 386.9798 
1 1 1   12   28    6 o  563.420  232.074   1.7596   6.6075   3.8972   8.2686  -2.0170   10.991  662.364  264.382  644.559  283.015 17.80530 387.2924 
1 1 1   12   28    8 o  991.630  326.470   15.865   11.745   0.0000   0.0000   15.865   11.745  ?   ?   991.630  326.470 0.000000 326.4702 
1 1 1   12   28   10 o  933.024  334.915   12.847   12.447   12.847   12.447   0.0000   0.0000  933.024  334.915  ?   ?  0.000000 334.9152 
1 1 1   12   28   12 o  451.356  214.029  -9.3931   8.1210 -28.0369   11.274   10.715   11.708  425.707  212.072  876.386  323.306 -450.6797 386.6543 
1 1 1   12   28   14 o  502.218  217.271  -0.5014   6.2769   1.4271   7.4846  -5.0729   11.524  584.437  244.390  617.773  279.187 -33.33551 371.0417 
1 1 1   12   28   16 o  525.785  231.984  -1.7364   7.4673  -1.7364   7.4673   0.0000   0.0000  525.785  231.984  ?   ?  0.000000 231.9835 
1 1 1   12   28   18 o  869.306  253.355   12.722   7.3189   40.700   11.003  -9.4781   9.8015  1564.67  231.583  510.066  239.817 1054.602 333.3811 
1 1 1   12   28   20 o  522.768  227.215  -0.6117   6.9286   16.288   10.229 -14.9399   9.4184  976.422  302.958  445.711  216.223 530.7119 372.2040 
1 1 1   12   28   22 f  1027.95  252.108   18.223   8.0530   15.179   12.014   20.706   10.852  957.110  330.220  1083.77  306.230 -126.6626 450.3580 
1 1 1   12   28   24 o  781.369  246.087   10.213   6.7207   5.6920   8.4224   18.139   11.151  690.881  269.550  1014.15  316.588 -323.2656 415.7943 
1 1 1   12   29    1 o  1137.92  226.183   21.440   7.7753   25.893   10.083   14.908   12.212  1243.40  266.954  979.527  333.074 263.8699 426.8521 
1 1 1   12   29    3 o  974.896  252.092   15.894   7.7526   13.747   9.7767   19.532   12.724  925.397  297.386  1086.08  338.053 -160.6832 450.2425 
1 1 1   12   29    5 o  1242.36  216.612   25.386   8.1202   25.050   10.097   26.003   13.663  1220.66  271.210  1234.02  341.837 -13.35291 436.3568 
1 1 1   12   29    7 o  1009.17  237.038   17.031   7.3628   6.7103   9.1437   36.065   12.417  745.951  283.472  1466.59  280.617 -720.6385 398.8764 
1 1 1   12   29    9 o  588.163  236.965   2.7145   6.7101   1.5184   8.0846   5.3629   12.030  608.708  254.221  786.658  317.162 -177.9501 406.4732 
1 1 1   12   29   11 o  426.985  199.812  -6.3835   6.6691   7.2650   8.0926 -35.2703   11.773  733.802  269.084  407.026  204.725 326.7766 338.1103 
1 1 1   12   29   13 o  1021.87  332.553   17.164   12.200   0.0000   0.0000   17.164   12.200  ?   ?   1021.87  332.553 0.000000 332.5533 
1 1 1   12   29   15 f  618.000  271.657  -1.8173   10.151   0.0000   0.0000  -1.8173   10.151  ?   ?   618.000  271.657 0.000000 271.6567 
1 1 1   12   29   17 o  545.665  234.222  -0.0110   7.1836  -6.1685   10.562   5.2893   9.7991  573.499  262.327  726.065  288.439 -152.5665 389.8881 
1 1 1   12   29   19 o  522.497  233.063  -2.5426   7.7447  -2.5274   12.036  -2.5533   10.118  661.135  292.968  603.567  267.975 57.56769 397.0402 
1 1 1   12   30    0 o  733.952  270.072   7.0692   8.1622   13.226   10.421  -2.7042   13.129  921.315  307.700  700.848  308.491 220.4662 435.7132 
1 1 1   12   30    2 o  979.799  259.319   16.023   8.0801   20.200   10.418   9.7173   12.800  1096.26  296.396  884.939  335.610 211.3252 447.7552 
1 1 1   12   30    4 o  482.478  222.587  -5.9328   7.8321   6.3055   10.123 -24.1873   12.363  762.202  296.023  484.013  237.560 278.1888 379.5583 
1 1 1   12   30    6 o  988.031  277.879   16.286   8.9571   19.710   12.164   12.231   13.239  1087.69  329.060  938.768  344.177 148.9178 476.1709 
1 1 1   12   30    8 f  521.940  236.767  -4.5259   8.3794   6.3411   10.777 -21.1374   13.325  776.915  304.415  532.724  258.137 244.1912 399.1280 
1 1 1   12   30   10 o  769.235  277.225   8.2812   8.5362   2.6254   11.749   14.604   12.423  735.403  306.745  972.907  335.786 -237.5046 454.8020 
1 1 1   12   30   12 o  698.760  266.619   5.7610   8.1095   2.2611   11.683   9.0155   11.266  726.702  304.707  837.453  315.507 -110.7509 438.6241 
1 1 1   12   30   14 o  535.053  224.561   0.9174   6.3550   1.3166   8.2019   0.3177   10.053  607.668  255.079  648.753  277.735 -41.08557 377.0973 
1 1 1   12   31    1 f  744.248  270.171   7.4871   8.1287   1.9272   10.463   15.953   12.911  692.058  289.134  1013.08  342.474 -321.0256 448.2043 
1 1 1   12   31    3 o  718.529  286.581   4.5719   9.7087  -6.9546   13.674   16.290   13.787  667.629  302.699  1029.50  353.833 -361.8751 465.6447 
1 1 1   12   31    5 o  812.491  286.834   9.5205   9.0934   6.1146   12.357   13.544   13.430  811.463  323.419  969.285  347.894 -157.8220 475.0049 
1 1 1   12   31    7 o  629.530  266.439   0.8017   9.0682  -3.1839   12.071   5.9660   13.740  663.820  293.810  839.301  338.755 -175.4811 448.4184 
1 1 1   12   31    9 o  735.741  259.186   7.7865   7.4211   3.0281   9.4664   15.373   11.953  681.035  278.828  986.640  329.551 -305.6042 431.6814 
1 1 1   13    0    1 o  338.772  134.806   2.4912   1.3819   2.4912   1.3819   2.4912   1.3819  338.772  134.806  338.772  134.806 -0.000000 0.000000 
1 1 1   13    0    3 o  2533.70  117.788  101.592   9.2989  101.592   9.2989  101.592   9.2989  2533.70  117.788  2533.70  117.788 -0.000000 0.000000 
1 1 1   13    0    5 o  5180.49  183.471  426.276   29.677  426.276   29.677  426.276   29.677  5180.49  183.471  5180.49  183.471 -0.000000 0.000000 
1 1 1   13    0    7 f  5068.24  182.464  408.162   28.872  408.162   28.872  408.162   28.872  5068.24  182.464  5068.24  182.464 -0.000000 0.000000 
1 1 1   13    0    9 o  5206.68  268.438  438.564   43.499  438.564   43.499  438.564   43.499  5206.68  268.438  5206.68  268.438 -0.000000 0.000000 
1 1 1   13    0   11 f  2972.76  126.702  139.984   11.745  139.984   11.745  139.984   11.745  2972.76  126.702  2972.76  126.702 -0.000000 0.000000 
1 1 1   13    0   13 o  2142.31  110.163   72.826   7.3452   72.826   7.3452   72.826   7.3452  2142.31  110.163  2142.31  110.163 -0.000000 0.000000 
1 1 1   13    0   15 o  627.856  176.374   7.5462   3.0015   7.5462   3.0015   7.5462   3.0015  627.856  176.374  627.856  176.374 -0.000000 0.000000 
1 1 1   13    0   17 o  315.907  138.562   2.2654   1.4314   2.2654   1.4314   2.2654   1.4314  315.907  138.562  315.907  138.562 -0.000000 0.000000 
1 1 1   13    0   19 o  459.861  136.785   4.1166   1.7141   4.1166   1.7141   4.1166   1.7141  459.861  136.785  459.861  136.785 -0.000000 0.000000 
1 1 1   13    0   21 o  212.779  119.746   0.9583   1.2123   0.9583   1.2123   0.9583   1.2123  212.779  119.746  212.779  119.746 -0.000000 0.000000 
1 1 1   13    0   23 o  2431.32  115.651   94.270   8.7592   94.270   8.7592   94.270   8.7592  2431.32  115.651  2431.32  115.651 -0.000000 0.000000 
1 1 1   13    0   25 o  477.878  191.496   5.0771   2.7827   5.0771   2.7827   5.0771   2.7827  477.878  191.496  477.878  191.496 -0.000000 0.000000 
1 1 1   13    0   27 o  1045.33  156.554   18.625   4.7856   18.625   4.7856   18.625   4.7856  1045.33  156.554  1045.33  156.554 -0.000000 0.000000 
1 1 1   13    0   29 o  1724.91  153.175   48.799   8.1231   48.799   8.1231   48.799   8.1231  1724.91  153.175  1724.91  153.175 -0.000000 0.000000 
1 1 1   13    0   31 o  1065.92  158.009   19.286   4.9331   19.286   4.9331   19.286   4.9331  1065.92  158.009  1065.92  158.009 -0.000000 0.000000 
1 1 1   13    0   33 o  1164.44  154.413   22.721   5.3538   22.721   5.3538   22.721   5.3538  1164.44  154.413  1164.44  154.413 -0.000000 0.000000 
1 1 1   13    0   39 o  3036.06  189.585  150.597   17.862  150.597   17.862  150.597   17.862  3036.06  189.585  3036.06  189.585 -0.000000 0.000000 
1 1 1   13    0   41 o  503.181  230.009   6.0004   3.9469   6.0004   3.9469   6.0004   3.9469  503.181  230.009  503.181  230.009 -0.000000 0.000000 
1 1 1   13    0   43 o  3175.81  198.825  166.868   19.594  166.868   19.594  166.868   19.594  3175.81  198.825  3175.81  198.825 -0.000000 0.000000 
1 1 1   13    0   45 o  428.754  231.687   4.5224   4.3382   4.5224   4.3382   4.5224   4.3382  428.754  231.687  428.754  231.687 -0.000000 0.000000 
1 1 1   13    0   47 o  483.371  218.832   5.6796   3.5689   5.6796   3.5689   5.6796   3.5689  483.371  218.832  483.371  218.832 -0.000000 0.000000 
1 1 1   13    0   49 o  625.271  237.615   8.9335   4.3732   8.9335   4.3732   8.9335   4.3732  625.271  237.615  625.271  237.615 -0.000000 0.000000 
1 1 1   13    0   51 o  427.403  235.247   4.7151   4.5577   4.7151   4.5577   4.7151   4.5577  427.403  235.247  427.403  235.247 -0.000000 0.000000 
1 1 1   13    0   53 o  222.493  156.426  -4.0390   4.2248  -4.0390   4.2248  -4.0390   4.2248  222.493  156.426  222.493  156.426 -0.000000 0.000000 
1 1 1   13    1    0 o  1795.90   72.063   50.651   4.0524   51.769   5.7365   49.537   5.7255  1810.06  101.623  1770.16  103.749 39.90405 145.2279 
1 1 1   13    1    2 o  5934.78  145.637  558.728   27.064  584.525   38.280  532.946   38.269  6033.53  202.621  5754.09  212.398 279.4390 293.5440 
1 1 1   13    1    4 o  4504.14  116.710  320.425   16.460  308.308   23.275  332.548   23.281  4397.08  169.049  4569.73  162.706 -172.6465 234.6285 
1 1 1   13    1    6 o  4697.12  120.643  348.832   17.744  349.256   25.093  348.408   25.095  4676.79  171.350  4670.98  171.578 5.807129 242.4867 
1 1 1   13    1    8 o  1836.23   84.120   53.062   4.8366   51.847   5.9246   55.489   8.3746  1809.51  105.015  1863.03  144.693 -53.51770 178.7847 
1 1 1   13    1   10 o  3943.88  123.242  246.556   15.219  238.922   26.354  250.376   18.642  3824.91  220.989  3962.46  150.250 -137.5466 267.2287 
1 1 1   13    1   12 o  2208.50   89.569   76.958   6.1940   81.416   7.5914   68.079   10.714  2267.84  106.903  2050.90  168.313 216.9417 199.3928 
1 1 1   13    1   14 o  1466.77   69.520   33.886   3.1929   33.140   4.5177   34.631   4.5133  1442.44  100.654  1475.25   98.266 -32.80493 140.6678 
1 1 1   13    1   16 f  1456.08   99.637   33.874   4.5155   0.0000   0.0000   33.874   4.5155  ?   ?   1456.08   99.637 0.000000 99.63722 
1 1 1   13    1   18 o  708.230   70.690   8.0074   1.5467   7.9248   2.1899   8.0895   2.1849  697.006  103.479  704.745  101.975 -7.739136 145.2815 
1 1 1   13    1   20 o  1754.26   73.015   48.764   4.0107   49.793   5.6855   47.744   5.6587  1759.22  103.671  1721.72  105.471 37.49756 147.8911 
1 1 1   13    1   22 o  786.485   83.109   9.9586   2.0157   9.4467   2.4719   10.974   3.4822  758.975  106.982  806.086  143.208 -47.11102 178.7560 
1 1 1   13    1   24 o  1677.26  104.358   45.645   5.4536   44.420   7.7263   46.862   7.6991  1621.74  153.997  1669.99  148.792 -48.24329 214.1357 
1 1 1   13    1   26 o  867.090   83.328   12.175   2.2345   12.598   2.7587   11.367   3.8104  874.896  102.652  805.488  156.715 69.40778 187.3419 
1 1 1   13    1   28 o  389.603  123.740   2.5180   1.6965  -1.1452   2.4988   5.6501   2.3106  283.880  128.976  570.240  132.009 -286.3604 184.5564 
1 1 1   13    1   30 o  528.910  108.159   4.7372   1.7309   3.6065   2.1517   6.8106   2.9137  458.087  138.355  619.732  151.435 -161.6452 205.1210 
1 1 1   13    1   32 o  1237.35  104.763   25.180   4.0209   25.180   4.0209   0.0000   0.0000  1237.35  104.763  ?   ?  0.000000 104.7632 
1 1 1   13    1   34 o  270.130  110.303   0.5435   1.4766   0.8832   2.6667   0.3933   1.7732  352.098  146.439  283.641  118.810 68.45645 188.5735 
1 1 1   13    1   36 o  2000.31  112.532   66.764   7.0197   0.0000   0.0000   66.764   7.0197  ?   ?   2000.31  112.532 0.000000 112.5315 
1 1 1   13    1   38 o  1457.23  108.632   35.615   4.9212   44.316   7.0695   27.435   6.8548  1588.07  143.725  1202.83  188.167 385.2454 236.7780 
1 1 1   13    1   40 o  3400.89  120.581  197.950   12.841  194.094   22.277  199.868   15.714  3016.22  237.801  3339.52  150.273 -323.3037 281.3027 
1 1 1   13    1   42 o  2077.61  123.833   76.260   8.0194   77.773   11.333   74.742   11.349  1963.70  186.557  1912.45  192.116 51.24573 267.7911 
1 1 1   13    1   44 o  1748.48  126.982   57.386   6.9047   60.830   9.7999   53.990   9.7300  1629.23  196.033  1492.34  214.379 136.8904 290.4947 
1 1 1   13    1   46 o  900.708  123.318   16.175   3.3866   16.429   6.1139   16.063   4.0677  662.086  235.037  839.052  160.678 -176.9659 284.7096 
1 1 1   13    1   48 o  284.282  135.773  -0.2984   3.3881   0.0000   0.0000  -0.2984   3.3881  ?   ?   284.282  135.773 0.000000 135.7729 
1 1 1   13    1   50 o  468.364  166.801   7.6016   3.0816   7.2024   4.4525   7.9687   4.2693  382.968  173.264  405.392  177.235 -22.42438 247.8558 
1 1 1   13    1   52 o  323.079  161.962   10.902   7.0518   10.902   7.0518   0.0000   0.0000  323.079  161.962  ?   ?  0.000000 161.9616 
1 1 1   13    1   54 o  422.030  197.460   28.224   6.5084   19.343   9.0725   37.640   9.3419  ?   ?   339.681  172.119 0.000000 172.1190 
1 1 1   13    2    1 o  5255.98  131.840  437.123   21.698  429.950   30.683  444.298   30.688  5183.86  189.028  5271.49  185.918 -87.63379 265.1360 
1 1 1   13    2    3 o  1144.58   67.578   20.642   2.4112   20.034   3.4091   21.250   3.4109  1123.61   97.874  1157.88   94.913 -34.27368 136.3368 
1 1 1   13    2    5 o  2081.16   75.880   68.068   4.9448   69.218   6.9973   66.922   6.9888  2092.03  107.178  2056.62  108.914 35.41162 152.8049 
1 1 1   13    2    7 o  1323.89   97.569   27.771   4.0161   27.771   4.0161   0.0000   0.0000  1323.89   97.569  ?   ?  0.000000 97.56901 
1 1 1   13    2    9 o  4315.57  131.203  295.488   17.730  290.607   21.709  305.265   30.723  4264.71  162.568  4324.00  227.715 -59.29297 279.7899 
1 1 1   13    2   11 o  438.019  106.161   3.1547   1.4408   2.0375   1.9679   4.4456   2.1154  380.238  133.508  518.915  130.358 -138.6763 186.5947 
1 1 1   13    2   13 o  636.576   84.166   6.5034   1.6365   6.0029   2.0165   7.4689   2.8010  606.008  110.332  671.869  137.766 -65.86041 176.5013 
1 1 1   13    2   15 o  716.047   99.712   8.2921   2.1750   9.9655   3.1415   6.7516   3.0142  777.607  133.851  633.740  153.516 143.8671 203.6746 
1 1 1   13    2   17 o  294.566   95.929   1.3360   1.0151   2.0764   1.2750   0.0541   1.6776  357.822  106.152  268.053  114.073 89.76813 155.8232 
1 1 1   13    2   19 o  781.567  101.960   9.9295   2.4358   9.9295   2.4358   0.0000   0.0000  781.567  101.960  ?   ?  0.000000 101.9601 
1 1 1   13    2   21 o  567.786   90.292   5.2646   1.5515   4.8320   1.8936   6.1486   2.7065  537.288  115.954  600.293  145.504 -63.00500 186.0558 
1 1 1   13    2   23 o  499.207   95.676   4.1251   1.4411   3.8793   1.7701   4.6083   2.4819  479.384  118.577  519.518  146.331 -40.13461 188.3436 
1 1 1   13    2   25 o  1336.03   81.766   28.672   3.4042   27.916   4.1724   30.176   5.8874  1308.80  102.634  1337.34  142.801 -28.53662 175.8571 
1 1 1   13    2   27 o  689.398   77.259   7.7042   1.6391   7.5844   2.3292   7.8218   2.3070  670.638  115.059  682.554  111.818 -11.91675 160.4430 
1 1 1   13    2   29 o  2250.51   92.851   82.109   6.5431   84.655   8.0317   77.086   11.283  2266.35  113.178  2087.80  174.176 178.5522 207.7173 
1 1 1   13    2   31 o  1113.28   85.412   20.067   2.9547   18.314   5.1010   20.952   3.6247  1019.10  165.532  1129.05  103.686 -109.9460 195.3246 
1 1 1   13    2   33 o  865.305   78.272   12.106   2.0978   12.993   2.9731   11.227   2.9604  883.722  109.812  816.354  119.335 67.36816 162.1709 
1 1 1   13    2   35 o  1241.15   86.997   25.069   3.3596   31.808   6.0077   22.003   4.0525  1356.79  143.593  1146.68  114.394 210.1143 183.5889 
1 1 1   13    2   37 o  1835.12  115.268   56.595   6.5899   54.402   9.2898   58.816   9.3496  1726.15  174.260  1804.98  167.328 -78.83533 241.5888 
1 1 1   13    2   39 o  2794.66   91.052  128.280   7.9678  125.866   11.290  130.676   11.247  2696.22  133.723  2753.65  130.438 -57.43750 186.8043 
1 1 1   13    2   41 o  1097.34   94.598   20.171   3.2187   15.726   5.5218   22.458   3.9612  867.539  206.290  1143.64  112.057 -276.1017 234.7597 
1 1 1   13    2   43 o  2309.61   86.795   89.788   6.2770   92.573   8.9080   87.041   8.8463  2256.06  126.611  2178.69  130.270 77.36768 181.6603 
1 1 1   13    2   45 o  704.806  115.349   9.4158   2.4576   7.4486   3.6037   11.126   3.3602  543.802  180.923  720.686  153.598 -176.8840 237.3298 
1 1 1   13    2   47 o  1513.05  144.217   51.171   6.7499   51.899   9.1196   50.289   10.038  1229.53  245.474  1033.56  295.392 195.9701 384.0752 
1 1 1   13    2   49 o  281.456  133.965   0.3095   3.2400   0.0000   0.0000   0.3095   3.2400  ?   ?   281.456  133.965 0.000000 133.9651 
1 1 1   13    2   51 o  ?   ?   -2.1538   6.9658   0.0000   0.0000  -2.1538   6.9658  ?   ?   ?   ?  0.000000      ? 
1 1 1   13    2   53 o  409.531  182.977   14.348   4.7949   0.0000   0.0000   14.348   4.7949  ?   ?   409.531  182.977 0.000000 182.9772 
1 1 1   13    3    0 f  1630.22   82.213   41.885   4.1831   41.747   5.1201   42.161   7.2544  1624.78  101.141  1624.62  144.100 0.1645508 176.0515 
1 1 1   13    3    2 o  1445.62   80.281   32.951   3.6197   32.081   4.4319   34.694   6.2732  1423.56  100.060  1473.75  137.530 -50.18628 170.0779 
1 1 1   13    3    4 o  2623.75   96.402  108.425   7.9200  108.448   9.7016  108.379   13.713  2620.08  118.253  2601.89  169.239 18.18994 206.4598 
1 1 1   13    3    6 o  1986.28   86.533   62.084   5.3820   62.563   6.5866   61.122   9.3359  1988.61  106.161  1954.38  153.799 34.22534 186.8807 
1 1 1   13    3    8 o  5217.54  151.803  433.519   24.801  433.743   30.370  433.071   42.968  5196.51  186.646  5117.27  269.105 79.23682 327.4966 
1 1 1   13    3   10 o  2874.76  101.421  130.519   9.1294  127.950   11.177  135.668   15.825  2839.74  125.698  2901.30  175.011 -61.55859 215.4737 
1 1 1   13    3   12 o  302.844   95.941   1.4258   1.0203   1.0043   1.2569   2.2403   1.7473  285.587  105.816  383.050  125.911 -97.46313 164.4707 
1 1 1   13    3   14 o  394.302  112.251   2.5368   1.4525   4.3387   2.1637   1.0588   1.9596  511.127  133.671  330.795  129.752 180.3325 186.2894 
1 1 1   13    3   16 o  2289.37   91.782   83.209   6.5795   82.550   8.0605   84.525   11.389  2272.06  113.299  2269.88  161.294 2.187744 197.1104 
1 1 1   13    3   18 o  1016.21   98.143   16.624   3.0841   16.624   3.0841   0.0000   0.0000  1016.21   98.143  ?   ?  0.000000 98.14319 
1 1 1   13    3   20 o  1085.29   99.933   19.002   3.3579   19.002   3.3579   0.0000   0.0000  1085.29   99.933  ?   ?  0.000000 99.93270 
1 1 1   13    3   22 o  1712.89  103.077   47.337   5.5028   47.337   5.5028   0.0000   0.0000  1712.89  103.077  ?   ?  0.000000 103.0774 
1 1 1   13    3   24 o  2326.10   92.661   86.922   6.7491   86.594   8.2597   87.582   11.707  2306.41  114.370  2267.53  166.042 38.88477 201.6190 
1 1 1   13    3   26 o  1681.10  152.371   48.321   7.9336   48.321   7.9336   0.0000   0.0000  1681.10  152.371  ?   ?  0.000000 152.3712 
1 1 1   13    3   28 o  1828.07  106.570   54.864   6.0738   64.601   8.6703   45.481   8.5111  1948.82  143.085  1605.86  171.934 342.9583 223.6842 
1 1 1   13    3   30 o  1206.29   85.177   23.531   3.1966   19.971   3.8571   31.340   5.7124  1097.04  113.947  1361.48  135.808 -264.4417 177.2781 
1 1 1   13    3   32 o  1294.29   84.590   27.061   3.4094   24.827   4.1195   31.917   6.0740  1227.49  108.290  1368.07  143.952 -140.5787 180.1359 
1 1 1   13    3   34 o  1477.59  112.256   36.188   5.1549   0.0000   0.0000   36.188   5.1549  ?   ?   1477.59  112.256 0.000000 112.2561 
1 1 1   13    3   36 o  866.525   92.376   12.366   2.4678   13.525   4.1903   11.751   3.0535  867.187  160.220  830.301  121.006 36.88574 200.7806 
1 1 1   13    3   38 o  2236.71   94.510   82.191   6.6192   94.444   11.446   76.035   8.1135  2295.30  160.263  2114.34  123.084 180.9648 202.0741 
1 1 1   13    3   40 o  3560.55  162.882  231.856   18.160  249.827   25.588  213.620   25.776  3415.65  240.788  3045.46  273.208 370.1855 364.1725 
1 1 1   13    3   42 o  480.484  138.072   4.3266   2.1875   6.6869   3.7041   3.0625   2.7107  566.959  183.137  418.554  155.334 148.4057 240.1409 
1 1 1   13    3   44 o  645.522  127.774   7.9807   2.4913   7.8382   4.2063   8.0576   3.0919  559.783  195.265  616.207  159.134 -56.42395 251.8965 
1 1 1   13    3   46 o  595.784  184.217   9.5905   3.7857   10.233   4.6706   8.3594   6.4637  563.935  204.781  465.227  209.775 98.70813 293.1573 
1 1 1   13    3   48 o  374.803  147.625   3.6577   2.5465  -1.3523   3.8478   7.5619   3.3968  280.853  136.696  491.244  175.105 -210.3910 222.1429 
1 1 1   13    3   50 o  628.861  205.519   16.528   4.6577   0.0000   0.0000   16.528   4.6577  ?   ?   628.861  205.519 0.000000 205.5191 
1 1 1   13    3   52 f  767.019  216.927   27.973   5.4428   0.0000   0.0000   27.973   5.4428  ?   ?   767.019  216.927 0.000000 216.9274 
1 1 1   13    3   54 o  256.592  126.173   2.7723   3.5388   9.5340   6.7485   0.2078   4.1560  ?   ?   234.891  118.578 0.000000 118.5778 
1 1 1   13    4    1 o  3263.20  109.198  167.939   11.158  169.721   13.659  164.364   19.343  3274.65  133.214  3197.77  194.093 76.88574 235.4108 
1 1 1   13    4    3 o  3080.36  105.429  149.602   10.169  151.817   12.452  145.167   17.621  3097.86  128.365  3006.01  188.156 91.84839 227.7723 
1 1 1   13    4    5 o  3614.32  115.148  206.329   13.032  216.633   15.964  185.746   22.562  3696.44  137.923  3387.09  213.831 309.3503 254.4533 
1 1 1   13    4    7 f  309.208   97.973   1.4814   1.0640   0.7631   1.3435   2.6897   1.7425  277.853  107.864  410.981  124.594 -133.1289 164.7977 
1 1 1   13    4    9 o  2410.04   80.377   91.414   6.0656   90.023   8.5780   92.805   8.5780  2385.15  114.856  2422.11  113.103 -36.96216 161.1967 
1 1 1   13    4   11 o  1465.49   81.053   33.940   3.7049   33.864   4.5536   34.088   6.3723  1460.28  100.194  1454.98  141.667 5.296387 173.5172 
1 1 1   13    4   13 o  1631.84   82.252   42.140   4.1893   46.850   7.2973   39.824   5.1165  1704.97  137.867  1581.20  103.918 123.7683 172.6449 
1 1 1   13    4   15 o  793.859   99.828   10.168   2.4266   10.768   3.3844   9.5341   3.4811  806.900  138.965  754.428  152.604 52.47156 206.3961 
1 1 1   13    4   17 o  270.771  102.210   0.8617   1.1837   0.8617   1.1837   0.0000   0.0000  270.771  102.210  ?   ?  0.000000 102.2096 
1 1 1   13    4   19 o  1407.13  100.253   31.808   4.3883   31.808   4.3883   0.0000   0.0000  1407.13  100.253  ?   ?  0.000000 100.2526 
1 1 1   13    4   21 o  473.313  143.915   3.7214   2.3224   3.7214   2.3224   0.0000   0.0000  473.313  143.915  ?   ?  0.000000 143.9146 
1 1 1   13    4   23 o  318.447  113.622   1.4370   1.4305   1.4370   1.4305   0.0000   0.0000  318.447  113.622  ?   ?  0.000000 113.6223 
1 1 1   13    4   25 o  177.465   80.746  -0.5785   0.9840  -1.1662   1.1362   1.1848   1.9679  173.781   81.688  331.172  129.987 -157.3914 153.5239 
1 1 1   13    4   27 o  674.171   90.960   7.4595   1.8711   9.6103   2.3186   3.4425   3.1686  763.525   99.332  467.699  168.848 295.8264 195.8992 
1 1 1   13    4   29 o  1587.69   86.246   40.700   4.2716   44.617   5.2523   33.047   7.3412  1652.72  101.990  1367.20  175.537 285.5225 203.0152 
1 1 1   13    4   31 o  1217.45   87.273   23.973   3.3049   25.194   3.9774   21.249   5.9397  1240.39  103.347  1091.79  180.020 148.6064 207.5761 
1 1 1   13    4   33 o  1063.01  107.931   18.667   3.5427   15.484   4.7232   22.761   5.3567  933.962  167.668  1146.59  153.018 -212.6331 226.9959 
1 1 1   13    4   35 o  1597.34  169.215   45.406   8.3347   0.0000   0.0000   45.406   8.3347  ?   ?   1597.34  169.215 0.000000 169.2154 
1 1 1   13    4   37 o  1405.81   94.132   32.470   4.1197   34.598   5.0026   27.985   7.2619  1437.52  112.023  1213.84  197.879 223.6840 227.3880 
1 1 1   13    4   39 o  1151.36  118.460   22.602   4.2098   22.740   5.6748   22.432   6.2778  1111.58  168.307  1079.97  192.713 31.60278 255.8624 
1 1 1   13    4   41 o  622.572  157.375   7.3780   3.0695   8.7097   4.0719   5.6252   4.6714  653.363  188.559  534.975  202.780 118.3885 276.9017 
1 1 1   13    4   43 o  2019.83  104.561   71.164   6.5904   78.017   8.0685   57.426   11.424  2070.24  125.054  1496.55  252.783 573.6857 282.0247 
1 1 1   13    4   45 o  1170.00  139.735   27.809   5.0180   32.238   6.5992   21.739   7.7263  1163.60  187.492  742.034  264.133 421.5716 323.9131 
1 1 1   13    4   47 o  1587.99  110.338   49.417   5.4524   51.763   9.0175   48.065   6.8454  1245.26  239.968  1436.97  154.568 -191.7174 285.4397 
1 1 1   13    4   49 o  541.792  163.079   8.4592   2.9931   14.130   5.3139   5.8240   3.6224  528.706  211.627  401.307  169.042 127.3995 270.8524 
1 1 1   13    4   51 o  479.228  187.203   11.160   4.0662   0.0000   0.0000   11.160   4.0662  ?   ?   479.228  187.203 0.000000 187.2029 
1 1 1   13    4   53 o  274.099  130.559   2.6747   3.0893   6.1540   5.7824   1.2849   3.6546  288.022  144.692  255.613  126.171 32.40875 191.9761 
1 1 1   13    5    0 o  2066.98   75.956   67.124   4.9160   66.538   6.9544   67.710   6.9501  2051.38  108.655  2069.59  107.620 -18.21631 152.9312 
1 1 1   13    5    2 o  1126.45   67.858   19.995   2.3823   19.698   3.3755   20.290   3.3628  1114.15   97.743  1131.18   95.841 -17.02527 136.8915 
1 1 1   13    5    4 o  242.696   85.187   0.8145   0.8012  -0.0565   1.1316   1.6899   1.1344  217.719   93.195  327.653  100.767 -109.9338 137.2559 
1 1 1   13    5    6 o  2530.92   94.921  100.926   7.5224  101.832   9.2171   99.119   13.018  2538.29  115.967  2486.03  168.218 52.26294 204.3177 
1 1 1   13    5    8 f  3697.77  101.680  215.829   11.773  215.343   16.653  216.314   16.647  3678.37  144.583  3686.82  144.198 -8.448975 204.1990 
1 1 1   13    5   10 o  467.992   79.228   3.5430   1.1196   4.6194   1.6491   2.6227   1.5248  531.775  102.758  402.084  115.199 129.6912 154.3696 
1 1 1   13    5   12 o  335.418  107.388   1.7457   1.2758   0.0000   0.0000   1.7457   1.2758  ?   ?   335.418  107.388 0.000000 107.3884 
1 1 1   13    5   14 o  699.360   82.127   7.8353   1.7642   8.0362   2.1942   7.4679   2.9672  704.067  102.541  668.161  145.910 35.90601 178.3380 
1 1 1   13    5   16 o  1052.41  144.157   18.267   4.6256   18.267   4.6256   0.0000   0.0000  1052.41  144.157  ?   ?  0.000000 144.1572 
1 1 1   13    5   18 o  1144.21   81.816   20.873   2.9120   23.270   3.5400   15.857   5.1210  1204.91   94.588  964.429  176.066 240.4760 199.8649 
1 1 1   13    5   20 o  1494.23  100.449   35.887   4.6725   35.887   4.6725   0.0000   0.0000  1494.23  100.449  ?   ?  0.000000 100.4489 
1 1 1   13    5   22 o  308.597  105.507   1.4221   1.2255   2.7184   1.4131  -2.5108   2.4613  403.742  109.160  254.133  119.698 149.6090 161.9979 
1 1 1   13    5   24 o  529.063  101.264   4.6598   1.6165   4.3057   1.9556   5.4234   2.8721  502.853  124.790  558.662  157.432 -55.80951 200.8919 
1 1 1   13    5   26 o  1123.61  101.005   20.636   3.5157   21.499   4.8750   19.701   5.0749  1125.15  141.500  1067.48  156.473 57.66956 210.9649 
1 1 1   13    5   28 o  1530.62  153.224   40.149   7.2450   0.0000   0.0000   40.149   7.2450  ?   ?   1530.62  153.224 0.000000 153.2236 
1 1 1   13    5   30 o  1311.84  103.238   28.112   4.2064   30.916   5.8633   25.138   6.0381  1353.02  140.442  1202.83  164.637 150.1826 216.4010 
1 1 1   13    5   32 o  1473.50  102.438   35.453   4.6970   28.559   6.3345   43.873   7.0004  1283.58  161.159  1612.06  140.075 -328.4816 213.5255 
1 1 1   13    5   34 o  459.717  157.581   3.5035   2.7337   4.1415   3.9786   2.9330   3.7626  508.031  188.258  462.277  180.217 45.75412 260.6133 
1 1 1   13    5   36 o  682.656  155.830   8.3897   3.2576   2.8354   4.5524   14.218   4.6635  475.989  193.944  880.818  175.251 -404.8290 261.3946 
1 1 1   13    5   38 o  1764.24  116.232   52.384   6.3850   55.317   8.7216   48.996   9.3730  1759.99  160.007  1618.73  188.450 141.2637 247.2157 
1 1 1   13    5   40 o  1021.67  128.314   18.210   4.0143   23.911   5.3121   10.620   6.1294  1150.80  151.068  692.043  235.963 458.7551 280.1787 
1 1 1   13    5   42 o  631.825  157.040   7.8060   3.0934   1.1707   3.9262   18.668   5.0233  388.586  169.923  971.533  171.389 -582.9469 241.3460 
1 1 1   13    5   44 o  574.467  169.969   7.4155   3.2721   9.9162   4.0491   2.7084   5.5551  643.112  188.735  421.432  191.791 221.6796 269.0810 
1 1 1   13    5   46 o  1208.73  145.364   31.474   5.3914   31.393   6.7225   31.620   9.0259  1069.77  208.181  798.713  285.358 271.0556 353.2263 
1 1 1   13    5   48 o  323.932  162.609  -2.0414   7.2308   0.0000   0.0000  -2.0414   7.2308  ?   ?   323.932  162.609 0.000000 162.6094 
1 1 1   13    5   50 o  398.709  197.223   18.642   9.0993   0.0000   0.0000   18.642   9.0993  ?   ?   398.709  197.223 0.000000 197.2226 
1 1 1   13    5   52 o  ?   ?    7.6029   8.7034   0.0000   0.0000   7.6029   8.7034  ?   ?   ?   ?  0.000000      ? 
1 1 1   13    6    1 o  2875.21  100.880  130.247   9.0822  133.042   15.727  128.849   11.125  2882.70  175.058  2855.04  124.441 27.65796 214.7810 
1 1 1   13    6    3 o  2631.11   97.262  109.052   8.0131  109.983   9.8138  107.189   13.880  2638.34  118.792  2586.23  172.381 52.11841 209.3485 
1 1 1   13    6    5 o  1783.59   83.789   50.051   4.6795   50.800   5.7440   48.572   8.0694  1791.79  102.809  1741.69  149.410 50.10168 181.3641 
1 1 1   13    6    7 o  2020.93   74.938   64.223   4.7421   61.986   6.7093   66.457   6.7034  1977.72  108.760  2048.86  104.838 -71.14026 151.0618 
1 1 1   13    6    9 o  1775.79  103.778   50.023   5.7454   49.878   8.1130   50.169   8.1375  1761.30  148.491  1766.46  148.497 -5.161743 210.0025 
1 1 1   13    6   11 o  1491.05   81.597   35.170   3.7952   31.349   6.5863   37.070   4.6437  1388.82  154.047  1527.58   97.592 -138.7562 182.3586 
1 1 1   13    6   13 o  1074.35   97.780   18.455   3.2534   16.596   4.6209   20.282   4.5813  1003.51  151.799  1117.11  133.624 -113.5954 202.2333 
1 1 1   13    6   15 o  1255.84   79.981   25.052   3.1287   23.408   3.8143   28.434   5.4700  1208.32  101.760  1321.90  134.003 -113.5743 168.2617 
1 1 1   13    6   17 o  1155.51   81.178   21.263   2.9185   23.971   3.5663   15.773   5.0781  1223.87   93.775  963.862  174.687 260.0129 198.2656 
1 1 1   13    6   19 o  268.650  105.056   0.7143   1.2816   1.2053   1.5944  -0.1824   2.1546  315.146  118.699  293.603  127.157 21.54211 173.9494 
1 1 1   13    6   21 o  1256.44  141.951   26.175   5.4867   26.175   5.4867   0.0000   0.0000  1256.44  141.951  ?   ?  0.000000 141.9512 
1 1 1   13    6   23 o  850.879  104.838   11.847   2.7341   14.545   3.7853   8.9042   3.9535  932.554  133.434  709.625  178.180 222.9280 222.6050 
1 1 1   13    6   25 o  979.215   82.915   15.459   2.5184   14.592   3.0965   17.153   4.3286  942.257  106.837  1005.82  141.341 -63.56421 177.1761 
1 1 1   13    6   27 o  623.244   87.774   6.3573   1.6655   5.9974   2.7965   6.5552   2.0733  584.974  151.476  625.871  109.797 -40.89655 187.0840 
1 1 1   13    6   29 o  2163.68   79.930   74.873   5.4152   80.601   7.7087   69.292   7.6088  2223.49  110.721  2052.48  118.901 171.0051 162.4705 
1 1 1   13    6   31 o  1193.73  104.072   23.291   3.8512   0.0000   0.0000   23.291   3.8512  ?   ?   1193.73  104.072 0.000000 104.0723 
1 1 1   13    6   33 o  2041.67   80.405   66.858   5.1403   68.941   7.3484   64.861   7.1930  2044.94  115.230  1982.32  116.393 62.61633 163.7845 
1 1 1   13    6   35 o  1035.70   79.326   17.343   2.5530   19.291   3.7789   15.708   3.4627  1075.21  113.980  967.865  116.605 107.3483 163.0594 
1 1 1   13    6   37 o  2396.62   97.299   94.063   7.3017   96.209   12.464   92.942   9.0095  2311.92  173.442  2349.26  122.903 -37.33862 212.5731 
1 1 1   13    6   39 o  231.099  114.816  -7.0617   3.2146   0.0000   0.0000  -7.0617   3.2146  ?   ?   231.099  114.816 0.000000 114.8165 
1 1 1   13    6   41 o  734.387  125.772   9.5841   2.7882   0.0000   0.0000   9.5841   2.7882  ?   ?   734.387  125.772 0.000000 125.7720 
1 1 1   13    6   43 o  1150.35  108.500   23.460   3.8620   21.431   8.2824   24.024   4.3657  814.785  274.309  1144.70  123.770 -329.9168 300.9395 
1 1 1   13    6   45 o  774.727  141.482   12.369   3.3057   11.704   7.8105   12.514   3.6486  526.013  234.384  754.570  159.415 -228.5570 283.4592 
1 1 1   13    6   47 o  747.904  150.749   12.847   3.4084   19.956   8.5260   11.495   3.7184  547.835  244.439  657.818  176.749 -109.9825 301.6464 
1 1 1   13    6   49 o  137.054   69.248  -4.0165   1.4353  -2.1296   7.9972  -4.0793   1.4590  315.457  159.782  138.060   69.761 177.3970 174.3474 
1 1 1   13    6   51 o  363.155  149.992   4.6374   2.7699   8.5908   8.9424   4.2179   2.9132  326.255  165.634  345.286  148.700 -19.03143 222.5897 
1 1 1   13    6   53 o  337.878  149.780   5.7256   3.1489   8.7809   9.7619   5.3708   3.3267  ?   ?   322.740  147.472 0.000000 147.4723 
1 1 1   13    7    0 o  1231.14   80.211   23.926   3.0753   23.490   5.3476   24.142   3.7590  1208.80  144.123  1234.22   98.076 -25.42285 174.3278 
1 1 1   13    7    2 o  2861.01  122.708  129.422   10.993  116.089   15.503  142.904   15.590  2686.84  185.409  2989.40  167.216 -302.5552 249.6747 
1 1 1   13    7    4 o  3371.56  196.665  183.413   20.672   0.0000   0.0000  183.413   20.672  ?   ?   3371.56  196.665 0.000000 196.6646 
1 1 1   13    7    6 o  3974.94  105.255  249.531   13.101  240.828   18.527  258.235   18.527  3886.67  152.234  4027.16  146.922 -140.4902 211.5683 
1 1 1   13    7    8 f  909.237   68.275   13.071   1.9296   11.560   2.7157   14.613   2.7423  848.823  104.374  957.945   92.578 -109.1214 139.5155 
1 1 1   13    7   10 o  298.796   99.797   1.3334   1.0962   1.5960   1.8791   1.1980   1.3496  352.768  129.617  302.873  110.065 49.89493 170.0438 
1 1 1   13    7   12 o  1242.80   80.530   24.492   3.1170   22.000   3.8219   29.441   5.3863  1172.22  105.247  1350.60  128.930 -178.3811 166.4328 
1 1 1   13    7   14 o  367.438   97.586   2.2212   1.1417   3.2958   1.8684   1.5809   1.4423  447.286  127.308  330.230  114.387 117.0555 171.1481 
1 1 1   13    7   16 o  942.389   68.774   14.094   2.0154   10.436   2.8149   17.941   2.8869  799.287  115.848  1059.78   87.785 -260.4915 145.3515 
1 1 1   13    7   18 o  432.450  142.814   2.9364   2.2469   2.9364   2.2469   0.0000   0.0000  432.450  142.814  ?   ?  0.000000 142.8137 
1 1 1   13    7   20 o  905.976  104.330   13.320   2.9056   15.261   3.9774   11.098   4.2549  959.461  136.215  801.760  174.443 157.7010 221.3258 
1 1 1   13    7   22 o  745.534  107.905   9.1342   2.4457   11.978   3.4293   6.1909   3.4890  846.110  133.895  597.556  175.149 248.5540 220.4656 
1 1 1   13    7   24 o  257.300  104.527   0.4794   1.3174   0.5555   1.7536   0.3808   1.9961  291.655  119.776  300.401  125.954 -8.745331 173.8123 
1 1 1   13    7   26 o  495.933   94.159   4.0838   1.4087   3.3589   2.1237   4.6533   1.8825  447.360  137.919  523.772  117.654 -76.41159 181.2850 
1 1 1   13    7   28 o  516.224   92.346   4.4046   1.4379   4.5433   2.2261   4.3053   1.8835  514.422  136.097  503.208  121.021 11.21338 182.1221 
1 1 1   13    7   30 o  792.215   85.671   10.164   2.0913   9.1946   3.5258   10.690   2.5976  725.357  159.570  806.059  105.446 -80.70239 191.2630 
1 1 1   13    7   32 o  1130.07   84.507   20.593   2.9686   23.232   4.8714   19.034   3.7442  1175.58  134.772  1073.99  113.036 101.5876 175.8993 
1 1 1   13    7   34 f  2919.06  106.032  139.330   9.6916  144.311   16.630  136.768   11.926  2840.42  188.037  2857.03  133.315 -16.61255 230.5013 
1 1 1   13    7   36 o  651.004   97.222   7.0439   1.9211   9.1912   3.0836   5.6819   2.4559  725.130  140.886  568.015  139.175 157.1153 198.0368 
1 1 1   13    7   38 f  2263.04   79.784   82.734   5.6536   94.754   8.1229   71.439   7.8738  2390.74  108.508  2057.11  122.799 333.6367 163.8708 
1 1 1   13    7   40 o  1392.07   98.964   32.337   4.2857   35.658   8.6903   31.270   4.9264  1321.76  217.544  1351.96  117.542 -30.19409 247.2678 
1 1 1   13    7   42 o  580.877  144.746   6.4909   2.6232   0.0000   0.0000   6.4909   2.6232  ?   ?   580.877  144.746 0.000000 144.7459 
1 1 1   13    7   44 o  308.915  123.561   1.3947   1.8100   5.0539   7.4002   1.1618   1.8667  463.366  214.679  300.946  123.585 162.4196 247.7099 
1 1 1   13    7   46 o  1305.00  107.041   32.147   4.3355   42.353   9.6550   29.570   4.8522  1002.64  290.642  1202.95  130.931 -200.3093 318.7718 
1 1 1   13    7   48 o  540.310  149.145   7.1924   2.6060   32.600   8.6692   4.6684   2.7324  712.712  274.742  413.230  155.440 299.4811 315.6659 
1 1 1   13    7   50 o  301.478  129.426   2.0550   2.1940   0.0000   0.0000   2.0550   2.1940  ?   ?   301.478  129.426 0.000000 129.4262 
1 1 1   13    7   52 o  260.443  118.705   1.3237   2.1383   0.0000   0.0000   1.3237   2.1383  ?   ?   260.443  118.705 0.000000 118.7054 
1 1 1   13    8    1 o  2405.82   91.910   91.140   6.9238   74.833   11.956   99.369   8.4929  2156.00  178.709  2509.33  108.088 -353.3362 208.8542 
1 1 1   13    8    3 o  2860.74  123.984  129.565   11.106  135.262   15.733  123.907   15.680  2902.57  173.906  2774.57  181.481 128.0034 251.3539 
1 1 1   13    8    5 f  1820.78   84.553   52.209   4.8207   47.521   8.3231   54.575   5.9135  1718.40  156.394  1856.37  102.126 -137.9742 186.7859 
1 1 1   13    8    7 o  2101.86   88.415   69.681   5.8190   68.788   7.1289   71.463   10.073  2081.41  109.770  2107.72  153.683 -26.30347 188.8593 
1 1 1   13    8    9 o  3199.91   92.759  161.860   9.2942  165.845   13.145  157.877   13.143  3224.11  130.209  3144.21  133.493 79.90405 186.4794 
1 1 1   13    8   11 o  826.844   99.188   10.991   2.5168   10.307   3.5385   11.691   3.5804  788.002  148.865  842.780  140.630 -54.77820 204.7863 
1 1 1   13    8   13 o  600.714   89.860   5.8401   1.6383   6.6746   2.7625   5.3873   2.0348  631.286  143.060  570.609  117.789 60.67743 185.3117 
1 1 1   13    8   15 o  377.400  104.817   2.3385   1.2828   3.1032   1.9555   1.7608   1.6997  436.662  131.900  351.806  124.028 84.85544 181.0543 
1 1 1   13    8   17 o  282.428   99.479   1.1220   1.0932   0.5708   1.6067   1.5971   1.4917  284.879  115.539  332.875  116.273 -47.99646 163.9170 
1 1 1   13    8   19 o  332.584  108.491   1.7182   1.2982   0.9278   1.5774   3.3773   2.2853  299.742  116.733  455.834  143.491 -156.0916 184.9766 
1 1 1   13    8   21 o  454.266  121.514   3.4630   1.7622   2.4738   2.3788   4.6662   2.6233  411.345  146.544  524.622  151.332 -113.2760 210.6575 
1 1 1   13    8   23 o  422.234  124.343   2.9734   1.7548   1.4146   2.4357   4.6558   2.5304  365.902  144.295  521.482  148.056 -155.5800 206.7403 
1 1 1   13    8   25 o  530.216  122.705   4.7742   1.9969   4.8380   2.7561   4.7036   2.8971  530.056  155.757  524.162  161.003 5.894653 224.0134 
1 1 1   13    8   27 o  1242.38   82.139   24.752   3.1773   25.131   5.4507   24.557   3.9104  1222.19  145.275  1229.43  102.513 -7.248535 177.8031 
1 1 1   13    8   29 o  693.614   90.095   7.8310   1.9105   7.7404   3.1814   7.8822   2.3894  667.786  155.115  688.067  114.956 -20.28082 193.0684 
1 1 1   13    8   31 o  1064.84   76.908   18.172   2.5471   17.807   3.7809   18.476   3.4464  1037.90  118.462  1063.40  104.870 -25.50073 158.2115 
1 1 1   13    8   33 o  461.672  105.975   3.6004   1.4996   3.3390   2.1402   3.8525   2.1017  445.269  138.651  473.880  135.070 -28.61136 193.5663 
1 1 1   13    8   35 o  1320.56   75.304   28.013   3.1009   30.777   4.4673   25.442   4.3077  1368.36  105.065  1239.29  112.225 129.0645 153.7306 
1 1 1   13    8   37 o  1201.39   87.469   23.486   3.2679   27.009   5.3251   21.358   4.1388  1255.28  137.741  1127.48  119.033 127.7932 182.0478 
1 1 1   13    8   39 o  1592.38   95.110   41.801   4.7207   53.025   9.2140   37.806   5.4969  1696.76  175.984  1493.65  118.504 203.1058 212.1638 
1 1 1   13    8   41 o  1032.35  125.633   18.885   3.9774   23.918   8.3064   17.388   4.5306  976.177  264.963  961.803  155.762 14.37408 307.3548 
1 1 1   13    8   43 o  972.476  121.517   17.398   3.6195   35.051   8.0959   12.988   4.0464  1199.00  223.874  785.624  169.469 413.3772 280.7831 
1 1 1   13    8   45 o  1113.74  171.133   28.063   5.7771   0.0000   0.0000   28.063   5.7771  ?   ?   1113.74  171.133 0.000000 171.1327 
1 1 1   13    8   47 o  260.816  113.438   0.6225   1.7293   0.0000   0.0000   0.6225   1.7293  ?   ?   260.816  113.438 0.000000 113.4380 
1 1 1   13    8   49 o  606.613  162.879   10.003   3.1590   14.960   9.1362   9.3304   3.3667  414.660  203.662  553.872  174.130 -139.2119 267.9548 
1 1 1   13    8   51 o  420.255  154.334   5.8555   2.6636   0.0000   0.0000   5.8555   2.6636  ?   ?   420.255  154.334 0.000000 154.3339 
1 1 1   13    9    0 o  1216.79   80.442   23.391   3.0476   22.010   3.7308   26.159   5.2835  1176.83  102.261  1277.47  134.085 -100.6400 168.6300 
1 1 1   13    9    2 o  4422.93  129.630  310.349   17.953  295.375   21.995  340.239   31.075  4298.30  163.420  4577.28  216.813 -278.9819 271.5035 
1 1 1   13    9    4 o  1341.37   98.785   28.560   4.1199   23.269   5.8026   33.940   5.8506  1196.19  158.846  1456.16  129.672 -259.9622 205.0537 
1 1 1   13    9    6 o  1865.64   86.005   54.894   5.0242   54.470   8.6665   55.108   6.1661  1838.43  151.910  1862.81  106.151 -24.37073 185.3232 
1 1 1   13    9    8 o  1967.09  107.698   61.556   6.6084   58.340   9.3295   64.796   9.3619  1897.38  158.483  2003.55  150.323 -106.1702 218.4351 
1 1 1   13    9   10 o  1026.67   81.031   16.744   2.5838   18.628   4.4760   15.803   3.1642  1069.81  136.748  992.660  103.313 77.14642 171.3872 
1 1 1   13    9   12 o  985.687   72.351   15.408   2.2175   16.210   3.2046   14.670   3.0716  1004.71  103.335  955.044  104.414 49.66113 146.9032 
1 1 1   13    9   14 o  430.592   95.281   3.0569   1.2507   2.3704   1.7205   3.8261   1.8212  388.458  124.745  479.685  121.202 -91.22687 173.9294 
1 1 1   13    9   16 o  1800.58   85.175   51.393   4.8022   51.201   8.2446   51.492   5.9079  1768.70  150.290  1793.43  105.671 -24.72852 183.7211 
1 1 1   13    9   18 o  444.126  102.299   3.2730   1.3933   2.1939   2.2176   3.9769   1.7910  394.255  141.381  487.913  118.423 -93.65787 184.4256 
1 1 1   13    9   20 o  419.505  106.278   2.9335   1.3977   4.8923   2.1825   1.5717   1.8198  538.266  130.781  345.386  127.452 192.8802 182.6135 
1 1 1   13    9   22 o  1196.28  144.786   23.931   5.3131   23.931   5.3131   0.0000   0.0000  1196.28  144.786  ?   ?  0.000000 144.7864 
1 1 1   13    9   24 o  589.078  118.423   5.8290   2.1086   6.9579   2.8665   4.4977   3.1128  635.982  146.902  518.338  167.932 117.6444 223.1175 
1 1 1   13    9   26 o  248.145  110.527  -0.5801   1.7351   4.9907   3.3801  -2.5731   2.0217  543.576  174.879  220.026  105.028 323.5495 203.9940 
1 1 1   13    9   28 o  1385.35   75.339   30.595   3.2558   34.048   4.7678   27.578   4.4569  1449.38  105.785  1301.69  110.386 147.6914 152.8908 
1 1 1   13    9   30 o  973.450   79.965   15.205   2.4159   12.810   3.6186   17.131   3.2450  872.481  136.964  1026.03  102.370 -153.5458 170.9938 
1 1 1   13    9   32 o  1289.63   74.390   26.591   2.9912   26.661   4.3983   26.531   4.0801  1275.21  111.264  1276.19  102.981 -0.9747314 151.6072 
1 1 1   13    9   34 o  1837.57   82.545   54.187   4.7495   52.280   6.8295   55.974   6.6097  1774.66  123.674  1843.49  115.079 -68.83923 168.9335 
1 1 1   13    9   36 o  1617.52   84.403   42.255   4.2601   37.510   6.0662   46.871   5.9839  1491.91  131.187  1682.85  114.236 -190.9355 173.9539 
1 1 1   13    9   38 f  1549.21  103.987   39.697   5.0151   39.843   7.1170   39.552   7.0682  1506.80  152.964  1501.82  152.416 4.971558 215.9365 
1 1 1   13    9   40 o  1116.13  123.987   21.668   4.2600   23.447   8.2640   21.024   4.9714  999.334  261.186  1073.57  152.143 -74.24158 302.2679 
1 1 1   13    9   42 o  735.941  268.870   16.862   8.0691   16.862   8.0691   0.0000   0.0000  735.941  268.870  ?   ?  0.000000 268.8704 
1 1 1   13    9   44 o  628.640  161.742   8.6093   3.2021   0.0000   0.0000   8.6093   3.2021  ?   ?   628.640  161.742 0.000000 161.7418 
1 1 1   13    9   46 o  346.976  134.376   2.3771   2.0813   0.0000   0.0000   2.3771   2.0813  ?   ?   346.976  134.376 0.000000 134.3762 
1 1 1   13    9   48 o  597.160  148.348   8.4993   2.7615   15.839   8.7717   7.6918   2.9094  464.055  220.747  543.906  160.088 -79.85117 272.6861 
1 1 1   13    9   50 o  347.421  170.478   5.1655   6.3545   8.4664   8.9756   1.8482   8.9978  356.248  179.130  326.823  165.944 29.42471 244.1825 
1 1 1   13   10    1 o  3059.90  104.999  147.997   10.060  149.142   12.333  145.720   17.391  3064.46  128.531  3000.68  186.011 63.78076 226.0979 
1 1 1   13   10    3 o  271.569   94.836   1.0350   0.9923   2.2139   1.3823  -0.2186   1.4255  371.533  110.598  237.726  103.192 133.8068 151.2635 
1 1 1   13   10    5 o  1091.27   82.391   18.881   2.7946   17.803   3.4383   20.979   4.7970  1055.18  105.476  1138.69  137.308 -83.51514 173.1434 
1 1 1   13   10    7 f  1293.45   83.951   26.515   3.3817   24.764   6.0376   27.316   4.0821  1229.98  160.599  1309.55  100.314 -79.57324 189.3541 
1 1 1   13   10    9 o  1056.07   82.500   17.718   2.7065   21.019   5.0635   16.398   3.2023  1134.76  145.883  1011.64  102.509 123.1241 178.2972 
1 1 1   13   10   11 o  2345.84  115.256   87.744   8.4660   0.0000   0.0000   87.744   8.4660  ?   ?   2345.84  115.256 0.000000 115.2564 
1 1 1   13   10   13 o  1042.09   82.820   17.280   2.6801   18.443   4.4965   16.638   3.3379  1062.20  138.488  1017.12  106.378 45.07208 174.6287 
1 1 1   13   10   15 o  1010.02   80.846   16.241   2.5354   15.916   4.2888   16.416   3.1435  982.644  143.629  1010.93  100.645 -28.28333 175.3816 
1 1 1   13   10   17 o  1231.07   81.286   24.116   3.1158   24.626   5.3194   23.850   3.8443  1224.73  141.303  1218.73  101.665 5.996216 174.0757 
1 1 1   13   10   19 o  546.859   96.854   4.9100   1.5978   2.5615   2.5662   6.3969   2.0418  422.914  152.043  622.975  108.622 -200.0609 186.8582 
1 1 1   13   10   21 o  812.374   77.249   10.574   1.9414   10.080   2.8667   10.992   2.6385  780.254  121.274  820.732  105.081 -40.47852 160.4662 
1 1 1   13   10   23 o  377.229  130.267   2.1473   1.8698   2.1473   1.8698   0.0000   0.0000  377.229  130.267  ?   ?  0.000000 130.2673 
1 1 1   13   10   25 o  914.825   89.211   13.481   2.5230   14.828   3.1501   11.071   4.2136  954.111  107.302  798.183  173.538 155.9276 204.0325 
1 1 1   13   10   27 o  881.495  113.512   12.736   3.0603   10.657   3.7635   16.794   5.2579  789.146  157.821  986.633  176.679 -197.4870 236.9028 
1 1 1   13   10   29 o  827.943  108.675   11.233   2.7494   18.312   5.8105   9.1912   3.1208  1022.78  188.371  736.768  140.402 286.0167 234.9392 
1 1 1   13   10   31 o  886.433   83.881   12.662   2.3006   10.589   3.3077   14.604   3.2018  790.542  138.682  943.252  110.500 -152.7104 177.3214 
1 1 1   13   10   33 o  419.297  121.678   2.9563   1.6914   0.6945   2.3175   5.5340   2.4741  330.777  136.956  565.753  140.339 -234.9765 196.0915 
1 1 1   13   10   35 o  2915.95  105.832  138.592   9.6631  132.421   11.969  150.145   16.376  2814.60  135.806  2924.76  179.686 -110.1633 225.2341 
1 1 1   13   10   37 o  2528.33   96.610  104.106   7.6485   97.727   9.5343  115.621   12.810  2413.84  126.585  2576.51  159.571 -162.6716 203.6828 
1 1 1   13   10   39 o  2021.82   98.803   67.587   6.2550   58.680   10.203   72.951   7.9175  1761.51  187.873  2068.15  122.812 -306.6389 224.4527 
1 1 1   13   10   41 o  651.690  226.110   10.180   5.6366   6.8713   7.8540   13.694   8.0942  558.127  242.248  692.658  265.870 -134.5308 359.6817 
1 1 1   13   10   43 o  924.135  122.841   15.834   3.4666   19.332   8.3086   15.097   3.8144  735.947  272.184  878.556  143.622 -142.6091 307.7518 
1 1 1   13   10   45 o  519.105  155.451   6.0478   2.7248   0.0000   0.0000   6.0478   2.7248  ?   ?   519.105  155.451 0.000000 155.4510 
1 1 1   13   10   47 o  335.377  164.607  -1.2984   5.9356  -1.2519   8.1919  -1.3497   8.6122  359.173  179.223  361.681  180.969 -2.508850 254.6969 
1 1 1   13   10   49 o  316.266  157.734  -1.2508   6.3122  -3.6538   8.6674   1.4632   9.2111  322.207  163.527  346.369  175.042 -24.16266 239.5431 
1 1 1   13   10   51 o  337.103  166.312   5.9457   6.3221   9.5363   9.2283   2.7701   8.6785  340.626  172.435  ?   ?  0.000000 172.4349 
1 1 1   13   11    0 o  1637.32   84.254   42.368   4.3050   42.803   5.3059   41.529   7.3647  1641.81  103.742  1605.41  148.176 36.40320 180.8826 
1 1 1   13   11    2 o  2605.11   97.443  107.276   7.9487  109.176   9.7595  103.531   13.699  2621.99  118.872  2527.50  174.158 94.48828 210.8591 
1 1 1   13   11    4 o  932.324  103.690   13.931   2.9758   17.170   4.1848   10.618   4.2324  1029.38  132.939  795.868  174.632 233.5109 219.4745 
1 1 1   13   11    6 o  567.765  117.681   5.3116   2.0234   3.2565   2.8177   7.4998   2.9075  467.034  159.982  672.084  142.578 -205.0501 214.2962 
1 1 1   13   11   10 o  1125.91  150.118   20.757   5.1605   0.0000   0.0000   20.757   5.1605  ?   ?   1125.91  150.118 0.000000 150.1177 
1 1 1   13   11   12 o  948.736  150.738   14.863   4.3282   0.0000   0.0000   14.863   4.3282  ?   ?   948.736  150.738 0.000000 150.7375 
1 1 1   13   11   14 o  1016.49  103.189   16.603   3.2389   23.529   4.9684   11.484   4.2712  1202.46  134.246  824.241  171.093 378.2207 217.4734 
1 1 1   13   11   16 o  320.216  111.835   1.4712   1.3800   2.4063   1.7127  -0.2594   2.3300  389.934  124.382  303.829  131.908 86.10471 181.3029 
1 1 1   13   11   18 o  307.973  113.703   1.2197   1.4487   2.7702   1.8748  -1.0782   2.2823  414.486  129.883  275.999  124.534 138.4872 179.9393 
1 1 1   13   11   20 o  520.305  114.971   4.5256   1.8232   6.5207   2.3339   1.4017   2.9204  624.645  123.703  390.831  156.727 233.8144 199.6644 
1 1 1   13   11   22 o  991.594  108.453   15.985   3.3125   13.418   4.3091   19.693   5.1792  888.010  160.894  1081.55  157.562 -193.5390 225.1947 
1 1 1   13   11   24 o  1905.82  109.920   58.579   6.5317   58.579   6.5317   0.0000   0.0000  1905.82  109.920  ?   ?  0.000000 109.9200 
1 1 1   13   11   26 o  459.798  135.378   3.5128   2.0803   6.5678   2.3619  -7.0559   4.3930  626.780  124.731  302.141  146.826 324.6383 192.6544 
1 1 1   13   11   28 o  856.006  123.425   12.100   3.2126   12.100   3.2126   0.0000   0.0000  856.006  123.425  ?   ?  0.000000 123.4250 
1 1 1   13   11   30 o  2158.95  119.725   75.966   8.0619   75.966   8.0619   0.0000   0.0000  2158.95  119.725  ?   ?  0.000000 119.7247 
1 1 1   13   11   32 o  1447.15  197.575   37.019   8.7189   37.019   8.7189   0.0000   0.0000  1447.15  197.575  ?   ?  0.000000 197.5746 
1 1 1   13   11   34 o  1864.35   99.115   56.321   5.7653   58.207   6.8290   51.639   10.757  1883.50  116.360  1693.09  207.231 190.4070 237.6640 
1 1 1   13   11   36 o  2478.35  103.267  100.094   8.0138   97.663   9.5608  105.837   14.694  2421.70  126.522  2424.46  195.216 -2.750977 232.6310 
1 1 1   13   11   38 o  480.556  144.179   4.0849   2.3423   4.4484   2.4745   0.9535   7.2627  499.473  147.817  502.977  224.927 -3.504456 269.1509 
1 1 1   13   11   40 o  653.545  136.217   7.7828   2.6972   7.5560   2.8754   9.4437   7.7818  636.378  147.226  627.275  254.321 9.102539 293.8614 
1 1 1   13   11   42 o  668.823  225.286   11.545   5.5866   14.193   7.5449   8.3323   8.3118  678.404  257.572  552.253  244.150 126.1510 354.8984 
1 1 1   13   11   44 o  761.585  236.954   17.220   6.2524   17.378   8.1562   16.994   9.7368  660.283  262.884  602.894  265.509 57.38855 373.6356 
1 1 1   13   11   46 o  364.265  173.877   0.6790   5.5408  -4.4837   7.3396   7.5200   8.4488  344.608  171.581  448.878  214.389 -104.2699 274.5959 
1 1 1   13   11   48 o  407.792  192.081   6.4227   6.3397   13.199   8.1373  -4.0436   10.113  462.328  217.723  347.446  176.368 114.8815 280.1941 
1 1 1   13   11   50 o  272.191  137.944  -6.4930   6.0177  -6.8457   8.1520  -6.0707   8.9204  ?   ?   ?   ?  0.000000      ? 
1 1 1   13   12    1 o  2667.78  121.073  113.153   10.114  118.953   14.331  107.397   14.275  2710.64  169.697  2570.63  178.457 140.0088 246.2599 
1 1 1   13   12    3 o  951.655  103.665   14.509   3.0391   16.503   4.3266   12.568   4.2698  1006.62  141.148  870.411  162.644 136.2063 215.3503 
1 1 1   13   12    5 o  926.613  106.525   13.788   3.0345   15.881   4.2252   11.558   4.3609  986.871  140.719  830.790  173.248 156.0812 223.1965 
1 1 1   13   12    7 o  1218.61  150.488   24.200   5.6203   0.0000   0.0000   24.200   5.6203  ?   ?   1218.61  150.488 0.000000 150.4878 
1 1 1   13   12    9 o  1164.00   83.834   21.506   3.0351   24.808   3.7402   15.139   5.1937  1247.97   96.463  949.916  181.226 298.0522 205.2993 
1 1 1   13   12   11 o  1474.69   84.853   34.487   3.9016   40.706   4.8242   22.727   6.6338  1599.61   96.771  1164.76  188.317 434.8481 211.7259 
1 1 1   13   12   13 o  672.947  160.795   7.6403   3.3419   0.0000   0.0000   7.6403   3.3419  ?   ?   672.947  160.795 0.000000 160.7946 
1 1 1   13   12   15 o  1620.93  110.901   42.166   5.5950   43.339   7.8590   40.960   7.9672  1624.23  156.461  1575.06  163.947 49.17468 226.6249 
1 1 1   13   12   17 f  765.923  146.175   9.8408   3.3778   7.8736   4.7178   11.910   4.8384  676.551  204.989  829.140  190.381 -152.5885 279.7597 
1 1 1   13   12   19 o  933.369   97.354   14.046   2.8034   13.208   3.3063   16.187   5.2877  897.899  120.652  972.048  180.365 -74.14838 216.9982 
1 1 1   13   12   21 o  2068.55  115.396   69.026   7.4446   69.026   7.4446   0.0000   0.0000  2068.55  115.396  ?   ?  0.000000 115.3962 
1 1 1   13   12   23 o  784.455  128.575   10.181   3.0488   10.181   3.0488   0.0000   0.0000  784.455  128.575  ?   ?  0.000000 128.5751 
1 1 1   13   12   25 o  1055.81  117.981   18.140   3.8338   18.140   3.8338   0.0000   0.0000  1055.81  117.981  ?   ?  0.000000 117.9815 
1 1 1   13   12   27 o  599.161  143.312   6.0883   2.6525   6.0883   2.6525   0.0000   0.0000  599.161  143.312  ?   ?  0.000000 143.3116 
1 1 1   13   12   29 o  1171.52  103.685   22.200   3.7642   25.258   4.4622   14.653   7.0098  1245.43  115.746  889.425  244.238 356.0068 270.2763 
1 1 1   13   12   31 o  1303.77   96.571   27.414   3.9144   28.237   4.5842   25.198   7.5211  1316.65  112.265  1188.70  209.732 127.9435 237.8886 
1 1 1   13   12   33 o  284.046  118.670   0.3513   1.7625   0.7628   1.8508  -3.6570   5.7761  307.109  124.197  406.563  188.817 -99.45322 226.0020 
1 1 1   13   12   35 o  1670.34  139.842   46.852   7.2468   50.987   9.8517   41.976   10.698  1697.95  188.477  1492.45  236.821 205.5056 302.6676 
1 1 1   13   12   37 f  1329.54  159.141   31.061   6.4935   42.127   8.7452   17.462   9.6945  1519.62  187.784  868.855  296.754 650.7622 351.1771 
1 1 1   13   12   39 o  1404.07  119.738   33.857   5.2140   33.857   5.2140   0.0000   0.0000  1404.07  119.738  ?   ?  0.000000 119.7383 
1 1 1   13   12   41 o  1155.69  115.329   23.510   4.1177   23.632   4.5121   22.904   10.071  1144.40  128.115  825.253  300.546 319.1488 326.7128 
1 1 1   13   12   43 o  594.172  224.816   9.9353   5.7354   9.8826   7.3174   10.019   9.2355  563.371  238.939  547.588  248.465 15.78387 344.7128 
1 1 1   13   12   45 o  438.180  197.332   4.5728   5.6987   1.7992   7.3508   8.7507   9.0218  411.462  197.440  485.530  228.831 -74.06723 302.2353 
1 1 1   13   12   47 o  570.532  231.838   14.192   6.4830   8.0074   8.4028   23.289   10.190  437.363  210.194  565.169  258.194 -127.8065 332.9346 
1 1 1   13   12   49 o  340.633  167.848   1.1935   6.3729  -6.0846   8.6225   9.9563   9.4612  317.542  161.350  398.181  197.682 -80.63889 255.1706 
1 1 1   13   13    0 o  4571.45  168.187  336.826   24.075  369.604   34.098  304.245   33.996  4729.94  230.230  4259.04  256.107 470.8999 344.3781 
1 1 1   13   13    2 o  2119.37  109.806   71.404   7.2620   84.534   10.324   58.544   10.217  2294.23  144.452  1896.42  173.994 397.8174 226.1423 
1 1 1   13   13    4 o  1512.65   85.447   36.220   4.0306   36.913   4.9658   34.881   6.9004  1522.95  104.771  1466.91  152.456 56.03906 184.9854 
1 1 1   13   13    6 o  1373.62  104.882   30.076   4.4770   34.411   6.4507   26.047   6.2186  1459.24  143.016  1262.18  161.013 197.0618 215.3568 
1 1 1   13   13    8 o  2102.73   90.304   69.901   5.9457   75.080   7.3125   59.797   10.214  2174.88  107.377  1913.63  172.305 261.2507 203.0239 
1 1 1   13   13   10 o  1335.73   89.198   28.343   3.7093   30.313   4.4549   23.891   6.6974  1378.08  104.006  1197.09  184.610 180.9987 211.8918 
1 1 1   13   13   12 f  2232.82   95.753   79.078   6.6946   81.268   8.1471   74.525   11.747  2254.00  115.825  2127.67  177.956 126.3247 212.3292 
1 1 1   13   13   14 o  467.444  127.347   3.6252   1.9146   4.7365   2.1695  -0.2883   4.0713  532.401  131.024  401.672  174.377 130.7290 218.1159 
1 1 1   13   13   16 o  1448.46  165.308   34.808   7.3632   34.808   7.3632   0.0000   0.0000  1448.46  165.308  ?   ?  0.000000 165.3076 
1 1 1   13   13   20 o  936.969  195.128   15.148   5.5388   15.148   5.5388   0.0000   0.0000  936.969  195.128  ?   ?  0.000000 195.1283 
1 1 1   13   13   22 o  1562.33   94.134   38.940   4.5836   41.631   5.5065   32.867   8.2710  1610.29  109.864  1392.67  195.016 217.6157 223.8329 
1 1 1   13   13   24 o  710.645  120.164   8.3158   2.5786   9.4786   2.9943   4.9785   5.0727  756.653  131.132  582.888  213.147 173.7656 250.2541 
1 1 1   13   13   26 o  393.261  142.842   2.1272   2.2727   2.1272   2.2727   0.0000   0.0000  393.261  142.842  ?   ?  0.000000 142.8418 
1 1 1   13   13   28 o  818.302  113.571   10.962   2.8316   11.404   3.2514   9.5725   5.7610  829.846  129.346  735.499  227.225 94.34674 261.4606 
1 1 1   13   13   30 o  782.169  119.833   10.109   2.8414   11.902   3.1917   3.2584   6.2381  848.632  123.753  557.837  227.131 290.7954 258.6564 
1 1 1   13   13   32 o  1642.06  100.025   43.469   5.1185   43.681   5.9517   42.867   10.030  1637.56  116.839  1557.07  211.177 80.49243 241.3447 
1 1 1   13   13   34 o  2531.28  106.822  103.805   8.4668  103.187   10.048  105.317   15.724  2502.07  128.686  2432.01  208.492 70.06006 245.0077 
1 1 1   13   13   36 o  1493.21  143.923   38.021   6.6459   41.419   8.7848   33.472   10.163  1516.11  189.163  1288.87  260.768 227.2357 322.1534 
1 1 1   13   13   38 o  1325.38  120.616   29.933   4.9509   29.933   4.9509   0.0000   0.0000  1325.38  120.616  ?   ?  0.000000 120.6161 
1 1 1   13   13   40 o  926.391  124.687   15.216   3.5250   14.683   3.8111   18.370   9.2726  896.494  140.371  787.582  288.151 108.9120 320.5233 
1 1 1   13   13   42 o  1088.09  121.999   21.442   4.0850   24.343   4.4343   5.1696   10.502  1156.81  124.370  517.972  244.960 638.8384 274.7243 
1 1 1   13   13   44 o  541.606  222.016   8.7761   6.0110   11.475   7.7162   4.6093   9.5868  566.390  242.924  470.322  225.629 96.06757 331.5431 
1 1 1   13   13   46 o  340.849  167.202  -2.9607   6.0977  -5.5107   7.5610   1.7834   10.313  346.603  172.827  416.729  206.805 -70.12637 269.5133 
1 1 1   13   13   48 o  404.151  201.107   6.5178   10.020   0.0000   0.0000   6.5178   10.020  ?   ?   404.151  201.107 0.000000 201.1066 
1 1 1   13   14    1 o  2532.18  173.998  103.943   13.712  103.943   13.712   0.0000   0.0000  2532.18  173.998  ?   ?  0.000000 173.9977 
1 1 1   13   14    3 o  620.782  147.662   6.4125   2.8285   8.9223   3.8966   3.6172   4.1123  729.385  173.195  521.042  191.701 208.3428 258.3521 
1 1 1   13   14    5 f  1167.79  113.295   21.847   4.0907   18.562   5.6948   25.349   5.8799  1057.48  178.328  1247.64  153.763 -190.1576 235.4651 
1 1 1   13   14    7 o  797.346  134.739   10.426   3.2441   10.419   4.4777   10.434   4.7067  785.237  185.130  784.466  192.947 0.7707520 267.3978 
1 1 1   13   14    9 o  557.294  159.202   5.1474   2.9164   5.1474   2.9164   0.0000   0.0000  557.294  159.202  ?   ?  0.000000 159.2015 
1 1 1   13   14   11 o  982.369  116.718   15.600   3.5200   15.600   3.5200   0.0000   0.0000  982.369  116.718  ?   ?  0.000000 116.7176 
1 1 1   13   14   13 o  433.125  140.408   2.9501   2.1758   2.9501   2.1758   0.0000   0.0000  433.125  140.408  ?   ?  0.000000 140.4077 
1 1 1   13   14   15 o  1501.43  149.535   36.877   6.9366   36.877   6.9366   0.0000   0.0000  1501.43  149.535  ?   ?  0.000000 149.5352 
1 1 1   13   14   17 o  1598.76   93.784   40.718   4.6744   43.029   5.6551   35.735   8.3050  1638.11  110.905  1461.02  185.735 177.0900 216.3266 
1 1 1   13   14   19 o  1857.30  114.122   55.294   6.6048   60.827   9.0637   49.029   9.6446  1931.86  151.036  1717.82  182.080 214.0480 236.5694 
1 1 1   13   14   21 f  755.088  213.398   9.8359   5.2692   9.8359   5.2692   0.0000   0.0000  755.088  213.398  ?   ?  0.000000 213.3984 
1 1 1   13   14   23 o  720.266  169.369   8.8108   3.7556   11.245   5.4118   6.5496   5.2161  804.481  211.895  638.822  217.676 165.6595 303.7806 
1 1 1   13   14   25 o  412.767  134.792   2.6700   2.0037   1.1553   2.1971   10.156   4.8844  347.114  136.994  764.930  201.221 -417.8154 243.4285 
1 1 1   13   14   27 o  1305.23   96.026   27.287   3.8970   26.029   4.6094   30.439   7.2971  1267.58  117.467  1344.42  177.693 -76.84717 213.0101 
1 1 1   13   14   29 o  969.665  106.445   15.242   3.1788   12.219   3.6315   25.151   6.5746  855.881  140.371  1217.06  177.762 -361.1796 226.5024 
1 1 1   13   14   31 o  1829.68   96.889   53.697   5.5312   49.974   6.4100   64.554   10.945  1755.15  117.309  1950.86  181.241 -195.7051 215.8930 
1 1 1   13   14   33 o  562.704  143.292   5.4277   2.5315   6.2186   2.6998  -0.3311   7.2852  601.906  144.971  514.115  227.868 87.79095 270.0751 
1 1 1   13   14   35 f  2753.29  116.328  124.390   10.029  132.740   11.967  104.693   18.381  2821.25  135.468  2323.05  256.991 498.1958 290.5100 
1 1 1   13   14   37 o  830.037  138.915   12.050   3.4829   12.050   3.4829   0.0000   0.0000  830.037  138.915  ?   ?  0.000000 138.9146 
1 1 1   13   14   39 o  432.117  142.529   3.3242   2.2382   2.9365   2.3286   8.0277   8.1111  413.652  145.230  607.680  254.288 -194.0274 292.8377 
1 1 1   13   14   41 f  299.855  127.105   0.6266   2.0688   0.4435   2.1259   3.9023   8.9923  296.392  127.326  515.662  238.110 -219.2699 270.0151 
1 1 1   13   14   43 o  318.798  133.022   1.1384   2.2107   1.2892   2.2727  -1.5107   9.5246  326.663  135.469  439.201  214.050 -112.5381 253.3169 
1 1 1   13   14   45 o  526.401  247.859   12.594   10.538   0.0000   0.0000   12.594   10.538  ?   ?   526.401  247.859 0.000000 247.8588 
1 1 1   13   14   47 o  523.363  251.355   21.686   11.971   0.0000   0.0000   21.686   11.971  ?   ?   523.363  251.355 0.000000 251.3552 
1 1 1   13   15    0 o  2024.66  112.786   65.204   7.1219   72.438   10.145   58.176   9.9999  2120.40  153.852  1892.80  170.555 227.5964 229.6935 
1 1 1   13   15    2 o  1739.65  158.967   49.005   8.5637   49.005   8.5637   0.0000   0.0000  1739.65  158.967  ?   ?  0.000000 158.9673 
1 1 1   13   15    4 o  857.964  189.636   12.411   4.9590   12.411   4.9590   0.0000   0.0000  857.964  189.636  ?   ?  0.000000 189.6359 
1 1 1   13   15    8 o  1730.69  160.564   48.783   8.6022   48.783   8.6022   0.0000   0.0000  1730.69  160.564  ?   ?  0.000000 160.5644 
1 1 1   13   15   10 o  1334.62  113.908   28.566   4.7146   30.344   6.6539   26.773   6.6812  1361.01  159.139  1272.61  172.078 88.39148 234.3844 
1 1 1   13   15   12 o  719.113  141.508   8.5906   3.0729   14.730   3.8465  -2.2390   5.1088  949.807  132.980  412.405  186.178 537.4014 228.7923 
1 1 1   13   15   14 o  660.618  122.615   7.1872   2.4430   7.6306   2.8415   5.9307   4.7834  677.422  138.629  613.385  208.455 64.03778 250.3425 
1 1 1   13   15   16 o  1193.31  111.697   22.864   4.1251   23.664   5.4006   21.744   6.3911  1203.79  146.283  1139.21  185.555 64.58008 236.2821 
1 1 1   13   15   18 f  375.205  132.502   1.9889   1.9407   3.1946   2.1349  -3.7480   4.6568  446.319  138.394  365.111  169.556 81.20837 218.8661 
1 1 1   13   15   20 o  1090.71  116.127   19.166   3.9051   21.196   5.0212   16.058   6.2122  1139.48  143.939  967.358  211.027 172.1182 255.4427 
1 1 1   13   15   22 o  1444.22   92.462   33.184   4.1594   34.163   4.9275   30.758   7.7577  1461.13  108.476  1357.14  187.568 103.9879 216.6771 
1 1 1   13   15   26 o  1027.08  153.974   17.519   4.7993   25.281   6.8568   10.064   6.7196  1224.00  184.647  763.119  246.684 460.8838 308.1356 
1 1 1   13   15   28 o  2220.40  104.963   78.793   7.2977   84.272   8.7603   66.367   13.191  2284.70  122.905  1963.78  218.217 320.9180 250.4486 
1 1 1   13   15   30 o  880.464  126.742   12.768   3.3935   17.810   3.7825  -8.0347   7.6827  1045.74  117.553  433.839  206.438 611.8991 237.5609 
1 1 1   13   15   32 o  1161.30  108.195   21.890   3.8890   19.042   4.3047   34.539   9.0713  1073.67  130.741  1398.16  214.013 -324.4919 250.7884 
1 1 1   13   15   34 f  1402.16  104.622   32.025   4.5604   30.180   5.1445   38.790   9.8536  1351.09  122.948  1452.03  223.921 -100.9440 255.4535 
1 1 1   13   15   36 o  1447.66  115.009   34.937   5.1704   34.937   5.1704   0.0000   0.0000  1447.66  115.009  ?   ?  0.000000 115.0090 
1 1 1   13   15   38 o  1185.62  141.479   24.876   5.1486   29.436   5.9643   11.542   10.199  1279.88  151.781  688.959  286.453 590.9239 324.1802 
1 1 1   13   15   40 o  935.238  141.989   15.998   4.0274   15.268   4.3850   19.936   10.182  894.062  162.625  797.370  300.038 96.69220 341.2761 
1 1 1   13   15   42 o  567.004  159.766   6.5103   2.9580   7.1087   3.0956   0.2222   10.034  590.922  162.319  476.202  229.062 114.7200 280.7433 
1 1 1   13   15   44 o  436.686  201.708   2.5656   6.4608   13.772   8.2209 -15.5371   10.448  612.939  256.203  366.686  185.406 246.2527 316.2520 
1 1 1   13   15   46 o  233.158  107.307  -0.6380   1.8048  -0.6488   1.8300  -0.2520   10.932  234.420  107.948  417.981  208.321 -183.5610 234.6286 
1 1 1   13   16    1 o  690.655  200.022   7.9718   4.5748   7.9718   4.5748   0.0000   0.0000  690.655  200.022  ?   ?  0.000000 200.0219 
1 1 1   13   16    3 o  763.756  193.194   9.8657   4.6235   9.8657   4.6235   0.0000   0.0000  763.756  193.194  ?   ?  0.000000 193.1941 
1 1 1   13   16    5 o  1338.21  164.734   29.300   6.7571   29.300   6.7571   0.0000   0.0000  1338.21  164.734  ?   ?  0.000000 164.7345 
1 1 1   13   16    7 o  589.498  162.714   5.7869   3.1019   2.1142   4.2518   9.9658   4.5354  476.760  189.809  766.951  189.867 -290.1908 268.4711 
1 1 1   13   16    9 o  332.491  143.420  -0.1899   2.7188  -1.9594   3.6695   1.9638   4.0483  345.400  156.683  463.962  185.053 -118.5621 242.4750 
1 1 1   13   16   11 o  634.830  163.277   6.7559   3.2640   9.4991   4.4964   3.7003   4.7457  748.436  191.177  541.458  204.590 206.9782 280.0103 
1 1 1   13   16   13 o  863.118  202.447   12.685   5.3768   0.0000   0.0000   12.685   5.3768  ?   ?   863.118  202.447 0.000000 202.4469 
1 1 1   13   16   15 o  677.104  169.204   7.6967   3.5773   6.4079   5.1327   8.9141   4.9886  639.114  215.938  726.854  208.402 -87.73932 300.1012 
1 1 1   13   16   17 o  820.490  111.611   10.879   2.7930   10.857   3.2602   10.939   5.4150  814.714  132.339  800.913  212.437 13.80078 250.2863 
1 1 1   13   16   19 o  342.734  129.027   1.3961   1.8834   0.4992   2.0851   5.3728   4.3903  315.535  130.214  588.852  199.708 -273.3171 238.4099 
1 1 1   13   16   21 o  386.680  138.992   2.0475   2.1444   1.3766   2.3711   5.0618   5.0260  367.098  143.077  590.876  212.744 -223.7782 256.3806 
1 1 1   13   16   23 o  1379.98  101.567   30.404   4.3579   32.854   5.1655   24.353   8.1171  1430.58  116.321  1188.89  226.311 241.6943 254.4544 
1 1 1   13   16   25 o  289.661  122.001   0.1985   1.8865   0.3113   2.0176  -0.5858   5.3202  303.000  126.811  452.125  197.753 -149.1249 234.9198 
1 1 1   13   16   27 o  526.992  224.099   1.0419   6.4658   1.0419   6.4658   0.0000   0.0000  526.992  224.099  ?   ?  0.000000 224.0993 
1 1 1   13   16   29 o  496.500  201.787   2.1640   4.9123   3.5181   6.7849   0.6722   7.1214  587.018  237.657  539.047  232.318 47.97156 332.3438 
1 1 1   13   16   31 o  1384.08  106.246   30.910   4.5694   31.836   5.1584   27.535   9.8473  1399.64  118.825  1216.87  265.872 182.7742 291.2166 
1 1 1   13   16   33 o  1287.18  134.854   27.578   5.3546   31.316   6.3443   18.324   9.9832  1362.31  151.283  943.168  300.239 419.1397 336.1993 
1 1 1   13   16   35 o  835.896  145.770   12.136   3.6766   9.7391   4.0471   23.458   8.7962  729.958  178.541  1064.40  264.959 -334.4437 319.4997 
1 1 1   13   16   37 o  625.784  163.595   7.2552   3.2416   8.5358   3.5322   0.4190   8.1611  677.320  167.487  510.463  232.369 166.8562 286.4387 
1 1 1   13   16   39 o  821.900  140.428   12.183   3.4842   12.819   3.7216   7.6708   9.9137  838.243  147.159  609.262  268.124 228.9804 305.8530 
1 1 1   13   16   41 o  787.604  160.178   12.017   3.8158   12.684   4.0787   7.3449   10.802  802.202  167.773  572.281  263.060 229.9207 312.0068 
1 1 1   13   16   43 o  2392.80  333.174  188.500   24.285   0.0000   0.0000  188.500   24.285  ?   ?   2392.80  333.174 0.000000 333.1740 
1 1 1   13   16   45 f  350.988  140.827   2.0180   2.3593   2.6882   2.4116 -12.9285   11.388  379.066  145.213  382.940  193.619 -3.874176 242.0229 
1 1 1   13   17    0 o  2624.24  180.518  111.928   14.743   0.0000   0.0000  111.928   14.743  ?   ?   2624.24  180.518 0.000000 180.5179 
1 1 1   13   17    2 o  1746.44  114.608   48.606   6.2326   47.095   8.7268   50.179   8.9043  1702.75  165.779  1758.92  163.545 -56.16541 232.8725 
1 1 1   13   17    4 o  1013.26  129.358   16.606   4.0106   17.727   5.5579   15.388   5.7930  1033.73  178.139  955.218  200.088 78.51044 267.8967 
1 1 1   13   17    6 o  361.728  150.910   0.4937   2.8445   1.1060   3.8727  -0.2237   4.1918  432.398  177.836  412.749  178.060 19.64987 251.6567 
1 1 1   13   17    8 o  1129.12  128.359   20.548   4.4575   23.151   6.2903   17.922   6.3176  1186.00  174.608  1032.11  202.717 153.8909 267.5484 
1 1 1   13   17   10 o  668.888  209.152   7.3086   4.8645   0.0000   0.0000   7.3086   4.8645  ?   ?   668.888  209.152 0.000000 209.1525 
1 1 1   13   17   12 f  692.470  166.834   8.0114   3.5746   11.870   4.9701   3.8760   5.1451  839.611  193.077  561.500  212.817 278.1109 287.3497 
1 1 1   13   17   14 o  533.019  206.036   3.1848   4.8858   3.1848   4.8858   0.0000   0.0000  533.019  206.036  ?   ?  0.000000 206.0359 
1 1 1   13   17   16 o  520.947  206.605   2.6037   5.0198   2.6037   5.0198   0.0000   0.0000  520.947  206.605  ?   ?  0.000000 206.6054 
1 1 1   13   17   18 o  1073.10  142.956   18.722   4.6840   10.419   6.6054   27.121   6.6431  787.907  243.290  1286.73  168.964 -498.8252 296.2072 
1 1 1   13   17   20 o  1021.44  148.709   17.073   4.6167   10.801   6.7813   22.492   6.3029  798.867  246.480  1165.41  178.398 -366.5438 304.2667 
1 1 1   13   17   22 o  484.806  152.166   3.7636   2.5721   2.3920   2.9454   8.1693   5.2787  434.201  161.765  700.093  217.707 -265.8919 271.2269 
1 1 1   13   17   24 o  708.265  132.808   8.2858   2.8371   8.5973   3.2271   7.2257   5.9541  718.002  148.441  675.491  232.503 42.51056 275.8484 
1 1 1   13   17   26 o  574.832  145.785   5.5353   2.6279   6.2974   2.8470   1.1478   6.8310  612.444  149.717  544.249  230.847 68.19476 275.1463 
1 1 1   13   17   28 o  615.725  168.837   6.4176   3.3526   6.4176   3.3526   0.0000   0.0000  615.725  168.837  ?   ?  0.000000 168.8368 
1 1 1   13   17   30 o  1670.86  220.877   48.600   11.273   0.0000   0.0000   48.600   11.273  ?   ?   1670.86  220.877 0.000000 220.8772 
1 1 1   13   17   34 f  858.536  125.727   12.419   3.2797   11.699   3.4974   17.664   9.4442  825.965  140.243  905.240  292.431 -79.27478 324.3212 
1 1 1   13   17   36 o  1100.30  121.097   20.465   4.1031   20.692   4.5657   19.514   9.3545  1096.29  135.920  915.464  290.547 180.8260 320.7677 
1 1 1   13   17   38 o  281.537  124.614  -0.3129   2.1715  -0.3643   2.2726   0.2265   7.3634  286.290  127.062  482.761  220.130 -196.4704 254.1692 
1 1 1   13   17   40 o  752.653  148.466   10.510   3.3747   10.291   3.5510   12.559   10.843  736.383  158.684  666.416  286.941 69.96686 327.8957 
1 1 1   13   17   42 o  333.030  164.793  -9.0142   6.3739 -16.9780   8.3282   2.2467   9.9032  337.081  169.882  503.294  237.975 -166.2133 292.3898 
1 1 1   13   17   44 o  325.734  135.997   1.2258   2.3126   1.2258   2.3126   0.0000   0.0000  325.734  135.997  ?   ?  0.000000 135.9974 
1 1 1   13   18    1 o  1540.87  118.058   37.849   5.6528   42.952   7.9776   32.703   8.0109  1630.98  158.199  1412.67  185.595 218.3123 243.8697 
1 1 1   13   18    3 o  458.920  166.650   2.8162   3.0932   0.7266   4.2424   5.1878   4.5196  440.133  184.016  588.470  202.566 -148.3376 273.6699 
1 1 1   13   18    5 o  761.110  215.230   9.6970   5.3583   9.6970   5.3583   0.0000   0.0000  761.110  215.230  ?   ?  0.000000 215.2298 
1 1 1   13   18    7 o  729.629  162.618   8.8425   3.6203   8.5745   5.3402   9.0703   4.9248  721.392  217.984  737.000  205.615 -15.60785 299.6578 
1 1 1   13   18    9 f  457.140  189.668   0.9915   4.4581   0.0000   0.0000   0.9915   4.4581  ?   ?   457.140  189.668 0.000000 189.6676 
1 1 1   13   18   11 o  1131.96  186.904   21.142   6.3935   21.142   6.3935   0.0000   0.0000  1131.96  186.904  ?   ?  0.000000 186.9043 
1 1 1   13   18   13 o  1029.82  214.800   17.844   6.7023   0.0000   0.0000   17.844   6.7023  ?   ?   1029.82  214.800 0.000000 214.8001 
1 1 1   13   18   15 o  755.001  174.359   9.5187   4.0388   8.2948   5.8868   10.607   5.5513  716.621  230.812  793.385  217.136 -76.76385 316.8949 
1 1 1   13   18   17 o  856.855  232.417   12.500   6.3937   12.500   6.3937   0.0000   0.0000  856.855  232.417  ?   ?  0.000000 232.4175 
1 1 1   13   18   19 o  508.537  187.249   3.4219   3.9246   4.1946   5.8383   2.7849   5.3009  590.026  225.962  535.313  212.309 54.71313 310.0544 
1 1 1   13   18   21 o  474.352  185.364   2.3502   3.9878  -2.7658   5.9860   6.4326   5.3472  444.778  201.093  644.206  220.390 -199.4283 298.3456 
1 1 1   13   18   23 o  782.021  254.617   10.180   7.1515   0.0000   0.0000   10.180   7.1515  ?   ?   782.021  254.617 0.000000 254.6167 
1 1 1   13   18   25 o  1007.81  136.466   16.558   4.1957   18.003   4.9284   12.750   7.9974  1045.89  155.197  858.774  268.118 187.1172 309.7953 
1 1 1   13   18   27 o  1022.04  131.134   17.028   4.0998   15.889   4.6500   21.006   8.6893  978.489  157.082  1085.35  259.240 -106.8638 303.1172 
1 1 1   13   18   29 o  398.553  151.396   1.9306   2.6075   1.9306   2.6075   0.0000   0.0000  398.553  151.396  ?   ?  0.000000 151.3961 
1 1 1   13   18   31 o  499.734  161.941   4.1148   2.8945   4.1148   2.8945   0.0000   0.0000  499.734  161.941  ?   ?  0.000000 161.9413 
1 1 1   13   18   33 o  1300.30  179.208   29.672   7.1027   32.133   9.3376   26.294   10.941  1304.22  237.394  1110.11  305.260 194.1145 386.7032 
1 1 1   13   18   35 o  471.963  217.034  -2.0205   7.3626   0.0000   0.0000  -2.0205   7.3626  ?   ?   471.963  217.034 0.000000 217.0342 
1 1 1   13   18   37 o  607.734  156.477   6.7491   2.9956   7.2169   3.2207   3.7498   8.1554  625.509  162.845  562.559  245.479 62.94922 294.5816 
1 1 1   13   18   39 o  435.250  154.640   3.2498   2.6471   3.2498   2.6471   0.0000   0.0000  435.250  154.640  ?   ?  0.000000 154.6402 
1 1 1   13   18   41 o  616.531  261.932   9.5893   8.8184   9.5893   8.8184   0.0000   0.0000  616.531  261.932  ?   ?  0.000000 261.9325 
1 1 1   13   18   43 o  393.117  153.118   2.5785   2.7143   2.5785   2.7143   0.0000   0.0000  393.117  153.118  ?   ?  0.000000 153.1183 
1 1 1   13   19    0 o  539.637  171.383   4.5871   3.2544   4.5205   4.6461   4.6514   4.5598  570.528  204.638  572.662  203.012 -2.134521 288.2549 
1 1 1   13   19    2 o  459.564  170.022   2.6661   3.2426   7.9447   4.4974  -3.0480   4.6793  693.717  197.537  381.683  174.595 312.0339 263.6367 
1 1 1   13   19    4 o  806.593  156.673   10.702   3.8144   14.135   5.6600   7.8452   5.1629  919.974  202.014  695.933  215.124 224.0414 295.1063 
1 1 1   13   19    6 o  300.206  144.508  -5.9834   4.0114   0.0000   0.0000  -5.9834   4.0114  ?   ?   300.206  144.508 0.000000 144.5079 
1 1 1   13   19    8 o  1082.65  136.033   18.874   4.5098   19.223   6.3473   18.518   6.4086  1078.07  195.217  1056.12  201.137 21.95679 280.2964 
1 1 1   13   19   10 o  879.167  160.882   12.697   4.2657   6.9092   6.2271   17.815   5.8553  681.865  237.597  1038.73  186.895 -356.8704 302.2950 
1 1 1   13   19   12 o  345.227  155.141  -1.6054   3.5006  -2.5271   5.1757  -0.8283   4.7524  415.140  187.404  428.144  187.092 -13.00424 264.8094 
1 1 1   13   19   14 o  530.438  215.225   2.1097   5.5778   2.1097   5.5778   0.0000   0.0000  530.438  215.225  ?   ?  0.000000 215.2251 
1 1 1   13   19   16 o  746.823  230.085   9.1848   5.9116   0.0000   0.0000   9.1848   5.9116  ?   ?   746.823  230.085 0.000000 230.0852 
1 1 1   13   19   18 o  478.633  203.813   0.3079   5.3615   0.0000   0.0000   0.3079   5.3615  ?   ?   478.633  203.813 0.000000 203.8131 
1 1 1   13   19   20 o  646.229  236.827   5.7975   6.2674   0.0000   0.0000   5.7975   6.2674  ?   ?   646.229  236.827 0.000000 236.8273 
1 1 1   13   19   22 o  567.549  230.898   2.5543   6.4402   0.0000   0.0000   2.5543   6.4402  ?   ?   567.549  230.898 0.000000 230.8982 
1 1 1   13   19   24 o  1560.65  147.948   39.429   7.1436   33.368   9.8037   46.289   10.430  1401.58  231.467  1668.91  203.832 -267.3235 308.4219 
1 1 1   13   19   26 o  454.953  197.219  -0.2493   5.1926  -6.2285   7.1638   6.3696   7.5372  441.515  206.764  680.456  257.660 -238.9414 330.3634 
1 1 1   13   19   28 o  709.816  147.155   8.4710   3.1633   8.2792   3.3829   9.8058   8.9260  698.701  158.291  774.225  282.798 -75.52380 324.0841 
1 1 1   13   19   30 o  1506.53  126.515   37.112   5.9128   37.112   5.9128   0.0000   0.0000  1506.53  126.515  ?   ?  0.000000 126.5149 
1 1 1   13   19   32 o  239.507  111.203  -1.6081   2.0014  -1.3973   2.0509  -5.8145   9.1633  248.608  114.406  494.302  232.236 -245.6941 258.8867 
1 1 1   13   19   34 o  746.890  155.586   9.8058   3.5205   9.8058   3.5205   0.0000   0.0000  746.890  155.586  ?   ?  0.000000 155.5859 
1 1 1   13   19   38 o  783.894  243.119   13.395   6.5879   13.395   6.5879   0.0000   0.0000  783.894  243.119  ?   ?  0.000000 243.1187 
1 1 1   13   19   40 o  573.403  234.572   6.5058   6.6932   14.918   10.022  -0.2660   8.9923  731.406  291.344  498.147  232.760 233.2584 372.9052 
1 1 1   13   19   42 o  386.015  150.025   2.3149   2.6013   2.7844   2.6678  -6.7552   11.726  406.402  153.435  465.629  229.100 -59.22778 275.7337 
1 1 1   13   20    1 o  321.300  145.653  -1.7933   3.1646   0.5716   4.3304  -4.5038   4.6360  442.253  185.479  356.068  166.616 86.18521 249.3256 
1 1 1   13   20    3 o  765.865  167.619   9.6931   3.9081   2.5469   5.4614   17.193   5.5948  539.821  215.055  1023.33  181.235 -483.5126 281.2380 
1 1 1   13   20    5 o  518.267  205.605   2.4135   4.9727   0.0000   0.0000   2.4135   4.9727  ?   ?   518.267  205.605 0.000000 205.6048 
1 1 1   13   20    7 o  802.411  232.213   10.668   6.1678   10.668   6.1678   0.0000   0.0000  802.411  232.213  ?   ?  0.000000 232.2133 
1 1 1   13   20    9 f  1186.89  197.956   23.185   7.0978   23.185   7.0978   0.0000   0.0000  1186.89  197.956  ?   ?  0.000000 197.9563 
1 1 1   13   20   11 o  372.088  172.736  -4.0796   4.8264   0.0000   0.0000  -4.0796   4.8264  ?   ?   372.088  172.736 0.000000 172.7362 
1 1 1   13   20   13 o  901.097  228.564   13.692   6.4589   0.0000   0.0000   13.692   6.4589  ?   ?   901.097  228.564 0.000000 228.5645 
1 1 1   13   20   15 o  631.515  230.246   5.4517   5.9130   0.0000   0.0000   5.4517   5.9130  ?   ?   631.515  230.246 0.000000 230.2461 
1 1 1   13   20   17 o  457.061  185.238   1.5095   4.1266   5.9719   5.9041  -2.7525   5.7700  645.932  230.791  438.338  197.875 207.5938 304.0046 
1 1 1   13   20   19 o  746.798  209.127   9.3237   5.0845   15.925   7.1885   2.7147   7.1927  966.911  238.835  598.264  243.775 368.6464 341.2748 
1 1 1   13   20   21 o  1273.63  160.743   26.388   6.2677   21.184   8.7188   31.953   9.0166  1109.46  256.156  1384.86  214.896 -275.4022 334.3594 
1 1 1   13   20   23 o  593.937  247.060   2.1001   7.5921   0.0000   0.0000   2.1001   7.5921  ?   ?   593.937  247.060 0.000000 247.0599 
1 1 1   13   20   25 o  866.465  220.738   12.975   6.0057   10.255   8.2868   15.984   8.7161  791.870  274.194  949.375  276.423 -157.5051 389.3485 
1 1 1   13   20   27 o  525.358  216.512   2.1103   5.7549   5.8622   7.8999  -2.1321   8.4004  668.674  261.008  536.755  240.834 131.9192 355.1424 
1 1 1   13   20   31 o  404.828  157.379   1.9217   2.8632   1.9217   2.8632   0.0000   0.0000  404.828  157.379  ?   ?  0.000000 157.3792 
1 1 1   13   20   33 o  836.732  173.193   12.397   4.3882   12.397   4.3882   0.0000   0.0000  836.732  173.193  ?   ?  0.000000 173.1927 
1 1 1   13   20   35 o  456.197  153.442   3.4660   2.5915   3.4660   2.5915   0.0000   0.0000  456.197  153.442  ?   ?  0.000000 153.4420 
1 1 1   13   20   37 o  442.212  154.003   3.2439   2.6160   3.6171   2.7210  -1.3101   9.5048  461.047  157.218  525.380  243.370 -64.33292 289.7355 
1 1 1   13   20   39 o  651.254  272.193   9.0620   9.2778   0.0000   0.0000   9.0620   9.2778  ?   ?   651.254  272.193 0.000000 272.1925 
1 1 1   13   20   41 o  336.859  163.092  -5.6467   5.2926  -7.0902   5.9306   0.0002   11.730  344.706  168.196  532.237  253.760 -187.5313 304.4407 
1 1 1   13   21    0 o  498.820  184.599   3.1250   3.8230  -9.0021   5.6796   13.171   5.1694  351.147  169.743  892.023  190.844 -540.8765 255.4101 
1 1 1   13   21    2 o  500.926  185.172   3.1651   3.8446   2.1860   5.6428   4.0133   5.2523  537.978  217.107  574.266  215.609 -36.28778 305.9782 
1 1 1   13   21    4 o  291.621  142.812  -8.5064   4.3913  -8.5064   4.3913   0.0000   0.0000  291.621  142.812  ?   ?  0.000000 142.8120 
1 1 1   13   21    8 o  451.322  196.354  -0.7456   5.1844   0.0000   0.0000  -0.7456   5.1844  ?   ?   451.322  196.354 0.000000 196.3543 
1 1 1   13   21   10 o  537.795  221.108   1.6889   5.9841   0.0000   0.0000   1.6889   5.9841  ?   ?   537.795  221.108 0.000000 221.1084 
1 1 1   13   21   12 f  492.703  192.047   2.4592   4.2723   10.345   6.4218  -3.8025   5.7223  793.354  238.889  420.392  192.585 372.9627 306.8501 
1 1 1   13   21   14 o  507.266  196.456   2.7255   4.4486  -4.9218   6.7207   8.6891   5.9349  447.789  206.447  734.196  231.257 -286.4063 310.0000 
1 1 1   13   21   16 o  659.781  205.561   7.0013   4.7036   8.9952   6.7505   5.1198   6.5576  753.518  247.474  639.794  240.777 113.7245 345.2780 
1 1 1   13   21   18 o  855.587  204.093   12.279   5.3912   17.510   7.8908   7.6998   7.3832  1014.29  250.042  725.762  258.216 288.5289 359.4387 
1 1 1   13   21   20 o  413.448  186.771  -2.5143   5.1512  -5.7083   7.3503   0.5685   7.2211  461.180  213.767  555.518  236.542 -94.33817 318.8241 
1 1 1   13   21   22 o  751.697  229.648   9.4262   5.9033   17.808   8.1985   0.4019   8.5071  1013.42  257.760  592.381  254.599 421.0416 362.2993 
1 1 1   13   21   26 o  792.062  279.900   10.472   8.6612   10.472   8.6612   0.0000   0.0000  792.062  279.900  ?   ?  0.000000 279.8998 
1 1 1   13   21   28 o  619.461  260.807   2.9618   8.6159   2.9618   8.6159   0.0000   0.0000  619.461  260.807  ?   ?  0.000000 260.8066 
1 1 1   13   21   30 f  866.752  246.266   13.985   6.9979   13.128   9.6117   14.952   10.208  835.529  294.902  878.888  304.329 -43.35870 423.7726 
1 1 1   13   21   32 o  1251.73  153.195   26.535   5.8791   32.519   7.1698   14.255   10.271  1375.75  170.058  844.102  304.111 531.6443 348.4291 
1 1 1   13   21   34 o  464.290  159.497   3.5020   2.8013   2.5577   2.9580   11.713   8.7225  428.656  161.631  767.351  279.666 -338.6948 323.0133 
1 1 1   13   21   36 o  986.843  129.345   16.528   3.9006   21.323   4.2555  -8.6758   9.7564  1126.68  122.602  467.697  225.189 658.9828 256.4008 
1 1 1   13   21   38 o  265.493  120.417  -0.9282   2.1664  -0.7663   2.2289  -3.6920   9.2088  274.124  123.435  489.339  230.797 -215.2149 261.7319 
1 1 1   13   22    1 o  361.383  170.250  -5.4054   4.9844   0.0000   0.0000  -5.4054   4.9844  ?   ?   361.383  170.250 0.000000 170.2501 
1 1 1   13   22    3 o  753.274  234.970   9.1039   6.1437   0.0000   0.0000   9.1039   6.1437  ?   ?   753.274  234.970 0.000000 234.9702 
1 1 1   13   22    5 o  706.490  244.779   7.3552   6.6047   0.0000   0.0000   7.3552   6.6047  ?   ?   706.490  244.779 0.000000 244.7792 
1 1 1   13   22    7 o  809.943  257.222   10.517   7.3308   10.517   7.3308   0.0000   0.0000  809.943  257.222  ?   ?  0.000000 257.2223 
1 1 1   13   22    9 o  1232.07  152.815   24.423   5.7689   28.800   8.5247   20.724   7.8358  1324.63  212.726  1114.82  232.020 209.8062 314.7789 
1 1 1   13   22   11 f  387.613  174.879  -2.2715   4.4996  -1.7106   6.9750  -2.6713   5.8888  509.469  224.525  447.247  201.082 62.22238 301.4057 
1 1 1   13   22   13 o  746.683  212.739   9.1933   5.2148   8.5307   7.3753   9.8558   7.3743  752.306  258.778  789.768  258.622 -37.46216 365.8573 
1 1 1   13   22   15 o  485.581  201.598   1.0585   5.0412  -0.1515   7.6596   1.9833   6.6959  561.404  241.443  569.636  234.008 -8.231873 336.2357 
1 1 1   13   22   17 o  634.814  224.750   5.7921   5.5868   16.857   8.0375  -4.5512   7.7711  996.000  256.244  495.146  225.919 500.8545 341.6145 
1 1 1   13   22   19 f  736.017  273.239   7.3911   8.3888   7.3911   8.3888   0.0000   0.0000  736.017  273.239  ?   ?  0.000000 273.2389 
1 1 1   13   22   21 o  478.461  221.556  -5.7877   7.8669  -5.7877   7.8669   0.0000   0.0000  478.461  221.556  ?   ?  0.000000 221.5561 
1 1 1   13   22   23 o  691.340  270.893   5.7868   8.5345   5.7868   8.5345   0.0000   0.0000  691.340  270.893  ?   ?  0.000000 270.8931 
1 1 1   13   22   25 o  1026.17  314.263   19.521   11.047   0.0000   0.0000   19.521   11.047  ?   ?   1026.17  314.263 0.000000 314.2627 
1 1 1   13   22   27 o  751.951  245.999   9.8094   6.6726   9.9325   9.1044   9.6666   9.8078  777.005  285.337  779.309  294.202 -2.304321 409.8436 
1 1 1   13   22   29 o  756.268  247.852   10.187   6.7724   9.1248   9.5134   11.278   9.6431  753.193  288.445  801.674  293.768 -48.48132 411.7040 
1 1 1   13   22   31 o  660.148  221.577   7.5922   5.4039   11.808   6.9828   1.2977   8.5326  795.996  250.858  577.348  251.535 218.6476 355.2457 
1 1 1   13   22   33 o  752.496  250.256   10.701   6.8952   6.9469   10.053   14.036   9.4752  692.168  285.803  836.068  292.987 -143.8998 409.2977 
1 1 1   13   22   35 o  781.340  231.271   11.824   6.0571   17.452   7.5535   1.6859   10.138  934.324  252.280  597.790  266.650 336.5345 367.0793 
1 1 1   13   22   37 o  808.913  158.334   11.650   3.8669   9.7608   4.1780   22.937   10.212  724.510  183.860  996.604  301.502 -272.0936 353.1401 
1 1 1   13   23    0 o  360.442  167.396  -3.9584   4.5397   1.0713   6.9392  -7.7217   6.0023  561.889  235.169  381.353  181.740 180.5353 297.2106 
1 1 1   13   23    2 o  1035.15  231.393   17.830   7.3117   0.0000   0.0000   17.830   7.3117  ?   ?   1035.15  231.393 0.000000 231.3927 
1 1 1   13   23    4 o  780.946  246.717   9.7175   6.7510   0.0000   0.0000   9.7175   6.7510  ?   ?   780.946  246.717 0.000000 246.7174 
1 1 1   13   23    6 o  735.346  212.631   8.8349   5.1733   1.9798   7.9096   13.960   6.8390  613.297  253.397  915.379  236.808 -302.0823 346.8261 
1 1 1   13   23   10 o  1717.77  140.960   46.967   7.5151   51.271   10.981   43.175   10.307  1781.05  200.389  1630.99  206.431 150.0574 287.6968 
1 1 1   13   23   12 o  651.688  258.272   3.9993   7.8392   3.9993   7.8392   0.0000   0.0000  651.688  258.272  ?   ?  0.000000 258.2722 
1 1 1   13   23   14 o  652.618  265.527   3.1655   8.5176   3.1655   8.5176   0.0000   0.0000  652.618  265.527  ?   ?  0.000000 265.5267 
1 1 1   13   23   16 o  963.067  289.608   15.627   9.4427   15.627   9.4427   0.0000   0.0000  963.067  289.608  ?   ?  0.000000 289.6077 
1 1 1   13   23   18 f  554.904  228.567   1.9086   6.4094  -0.8367   8.7512   5.0852   9.4134  583.553  254.473  708.747  282.344 -125.1938 380.0981 
1 1 1   13   23   20 o  871.282  237.648   12.988   6.6629   20.814   9.2845   4.6767   9.5675  1092.07  272.417  699.688  282.584 392.3810 392.5108 
1 1 1   13   23   22 o  569.942  227.990   3.1455   6.1632   0.5307   8.2063   6.5288   9.3346  581.347  249.962  725.371  283.560 -144.0237 378.0043 
1 1 1   13   23   26 o  450.700  218.172 -13.3441   9.4615   0.0000   0.0000 -13.3441   9.4615  ?   ?   450.700  218.172 0.000000 218.1721 
1 1 1   13   23   28 o  471.934  213.304  -2.3680   6.7290   3.4726   9.5700  -8.0791   9.4633  652.533  274.807  495.176  233.676 157.3570 360.7264 
1 1 1   13   23   30 o  478.751  214.106  -1.3765   6.5817 -10.1456   9.7624   5.9307   8.9115  480.046  229.602  675.922  272.816 -195.8760 356.5746 
1 1 1   13   23   32 o  491.214  215.591   0.0204   6.3717   0.0204   6.3717   0.0000   0.0000  491.214  215.591  ?   ?  0.000000 215.5910 
1 1 1   13   23   34 o  424.415  194.547  -2.5368   5.8516  -0.8005   7.3523  -5.5371   9.6650  502.430  225.380  509.207  239.005 -6.777069 328.5108 
1 1 1   13   24    1 o  643.655  243.794   4.8552   6.7490   0.0000   0.0000   4.8552   6.7490  ?   ?   643.655  243.794 0.000000 243.7942 
1 1 1   13   24    5 o  508.584  214.087   0.5973   5.8039   4.0059   11.046  -0.7028   6.8215  742.783  302.312  523.207  226.427 219.5760 377.7057 
1 1 1   13   24    9 o  1113.99  306.934   20.974   11.049   20.974   11.049   0.0000   0.0000  1113.99  306.934  ?   ?  0.000000 306.9341 
1 1 1   13   24   11 o  700.419  281.542   4.1827   9.4484   4.1827   9.4484   0.0000   0.0000  700.419  281.542  ?   ?  0.000000 281.5423 
1 1 1   13   24   13 o  461.109  204.972  -1.9678   5.9366   6.6126   8.1705 -11.5638   8.6404  718.310  269.066  449.624  215.303 268.6865 344.6040 
1 1 1   13   24   15 o  665.965  240.036   6.2324   6.3999   6.2827   9.2723   6.1868   8.8444  733.375  283.738  721.368  277.665 12.00677 396.9952 
1 1 1   13   24   17 o  507.960  218.884  -0.1776   6.3195  -2.4408   9.0084   2.0154   8.8676  567.629  252.400  635.549  265.910 -67.92072 366.6247 
1 1 1   13   24   19 o  609.341  240.233   3.9004   6.7496  -1.7900   9.1225   10.783   10.033  578.198  255.692  837.422  300.680 -259.2241 394.6987 
1 1 1   13   24   21 o  734.870  253.218   8.5505   7.0632  -0.0000   9.7282   18.083   10.272  620.343  269.430  1010.24  301.661 -389.9004 404.4646 
1 1 1   13   24   23 o  903.000  254.737   14.296   7.5154   9.4454   10.318   19.776   10.968  800.299  301.847  1043.79  311.735 -243.4917 433.9243 
1 1 1   13   24   25 o  430.616  200.535  -5.1661   6.5870  -8.9615   8.3595   1.0496   10.698  454.572  216.020  653.101  283.096 -198.5291 356.1011 
1 1 1   13   24   27 o  1372.76  182.776   31.677   7.6613   45.179   10.630   17.085   11.051  1623.78  214.307  958.569  316.734 665.2148 382.4237 
1 1 1   13   24   29 o  1053.76  221.109   19.659   7.0630   28.899   9.5366   8.4316   10.511  1265.46  249.541  758.638  299.573 506.8207 389.8905 
1 1 1   13   24   31 o  530.211  230.809   0.5175   7.1716   20.606   10.728 -15.7139   9.6431  1017.84  309.272  431.010  211.192 586.8347 374.5013 
1 1 1   13   24   33 o  541.310  254.733  -6.7970   11.102  -6.7970   11.102   0.0000   0.0000  541.310  254.733  ?   ?  0.000000 254.7326 
1 1 1   13   25    0 o  960.612  237.869   15.346   7.1172   17.090   12.687   14.545   8.5975  1035.62  339.221  940.105  274.769 95.51941 436.5424 
1 1 1   13   25    4 o  837.455  322.406   8.0967   11.926   8.0967   11.926   0.0000   0.0000  837.455  322.406  ?   ?  0.000000 322.4062 
1 1 1   13   25    8 o  667.952  236.774   6.3197   6.2024   1.1475   9.5487   10.095   8.1578  648.876  273.949  809.325  272.239 -160.4492 386.2157 
1 1 1   13   25   10 o  730.603  240.439   8.3311   6.3709  -0.6731   9.2369   16.501   8.7987  607.698  263.236  989.864  274.364 -382.1656 380.2215 
1 1 1   13   25   12 o  1072.23  230.193   19.276   7.4975   11.398   10.578   27.229   10.628  872.355  309.215  1265.62  275.966 -393.2680 414.4531 
1 1 1   13   25   14 o  785.697  250.840  10.0000   6.9644   3.8977   10.064   15.610   9.6480  705.840  288.062  962.317  293.496 -256.4772 411.2416 
1 1 1   13   25   16 o  921.769  245.327   14.459   7.2056   13.083   10.163   15.851   10.218  898.850  303.850  967.235  303.243 -68.38446 429.2804 
1 1 1   13   25   18 o  865.727  249.710   12.745   7.1429   9.5037   9.2565   17.516   11.230  798.292  288.533  1007.41  318.203 -209.1153 429.5398 
1 1 1   13   25   22 o  457.920  202.618  -1.3556   5.7364   4.4622   6.8242 -15.3677   10.591  621.204  242.558  477.830  231.184 143.3743 335.0825 
1 1 1   13   25   24 o  435.660  197.197  -2.6266   5.7754  -3.5039   6.7670  -0.2739   11.082  462.922  211.062  648.487  284.477 -185.5654 354.2235 
1 1 1   13   25   26 o  631.870  225.179   6.0969   5.6170   12.196   6.9527  -5.3649   9.5311  833.442  248.028  533.819  246.018 299.6221 349.3465 
1 1 1   13   25   28 o  493.545  207.461   1.2406   5.4376  -2.1988   6.8063   7.3090   9.0408  479.758  215.894  720.505  279.779 -240.7474 353.3931 
1 1 1   13   25   30 o  531.123  218.754   2.3822   5.8703   9.2878   7.1836 -11.4981   10.185  736.157  255.269  484.503  232.465 251.6545 345.2569 
1 1 1   13   26    3 o  471.603  208.205  -1.6831   6.0240  -6.7016   10.486   0.7889   7.3595  569.662  260.870  571.022  240.761 -1.360657 354.9920 
1 1 1   13   26    5 o  655.202  239.842   5.6801   6.4253   14.889   10.648   0.4066   8.0577  960.617  310.527  587.735  250.055 372.8816 398.6914 
1 1 1   13   26    7 o  723.658  249.270   7.8108   6.8444  -6.0099   10.808   17.063   8.8436  587.020  267.293  1006.70  273.459 -419.6770 382.3945 
1 1 1   13   26    9 o  629.614  248.441   3.8595   7.2245   4.2252   10.380   3.5160   10.062  724.147  293.678  703.004  287.598 21.14325 411.0471 
1 1 1   13   26   11 f  595.831  242.235   2.6016   7.0819  -4.8727   10.345   9.1934   9.7151  583.401  264.009  808.578  295.081 -225.1772 395.9464 
1 1 1   13   26   13 o  485.810  216.622  -2.3084   6.6843 -11.4656   9.2031   7.9155   9.7244  470.345  224.396  778.268  293.145 -307.9233 369.1711 
1 1 1   13   26   15 o  530.643  232.491  -1.2036   7.3814  -0.7578   9.9502  -1.7492   11.007  624.086  271.770  641.635  282.444 -17.54846 391.9610 
1 1 1   13   26   17 o  433.455  196.367  -2.9303   5.7410   1.0834   6.8731 -12.1941   10.442  553.312  232.948  504.517  240.234 48.79517 334.6297 
1 1 1   13   26   19 o  624.740  231.710   5.2285   6.0298   0.8224   7.2297   15.298   10.929  558.961  237.311  952.077  314.997 -393.1157 394.3847 
1 1 1   13   26   21 o  560.096  224.443   2.8887   5.9844  -3.0047   6.8872   21.052   12.091  478.481  216.073  1085.00  328.035 -606.5199 392.8031 
1 1 1   13   26   23 o  759.764  236.280   9.7113   6.2177   12.164   7.3312   3.4265   11.735  841.592  255.656  723.476  304.478 118.1158 397.5768 
1 1 1   13   26   25 o  568.372  221.746   3.7141   5.6998   13.412   7.1464 -13.2400   9.4489  875.548  248.899  454.992  219.691 420.5564 331.9861 
1 1 1   13   26   27 o  620.269  243.835   4.5811   6.9347   4.5972   9.9722   4.5659   9.6501  692.108  285.095  684.426  281.018 7.681763 400.3125 
1 1 1   13   26   29 o  656.054  281.915   2.2044   10.427   0.0000   0.0000   2.2044   10.427  ?   ?   656.054  281.915 0.000000 281.9154 
1 1 1   13   27    0 f  895.655  242.866   13.350   6.9828   13.809   11.451   13.078   8.8105  945.019  322.519  898.277  281.575 46.74243 428.1393 
1 1 1   13   27    2 o  595.676  236.292   3.2120   6.5672   3.6046   10.258   2.9394   8.5487  712.627  290.836  651.565  265.657 61.06274 393.9025 
1 1 1   13   27    4 o  808.630  289.804   9.3215   9.3162   0.0000   0.0000   9.3215   9.3162  ?   ?   808.630  289.804 0.000000 289.8039 
1 1 1   13   27    6 o  731.105  260.456   7.6146   7.5142  -1.9791   11.556   14.642   9.8904  661.287  290.286  946.115  298.593 -284.8283 416.4422 
1 1 1   13   27    8 o  833.514  270.473   11.096   8.0725   2.5794   11.918   18.316   10.973  736.552  308.227  1043.11  311.861 -306.5572 438.4754 
1 1 1   13   27   10 o  467.524  218.434  -7.2370   7.9171  -8.1124   11.182  -6.3570   11.211  573.761  265.141  594.182  271.203 -20.42041 379.2771 
1 1 1   13   27   12 o  553.749  241.884  -1.1417   7.9366   9.0763   11.008 -12.2042   11.454  828.863  311.950  541.076  255.866 287.7871 403.4598 
1 1 1   13   27   14 o  447.085  209.522  -7.0435   7.3786  -7.0435   7.3786   0.0000   0.0000  447.085  209.522  ?   ?  0.000000 209.5216 
1 1 1   13   27   16 o  508.242  227.717  -2.8127   7.4820  -2.8127   7.4820   0.0000   0.0000  508.242  227.717  ?   ?  0.000000 227.7166 
1 1 1   13   27   18 o  462.340  206.581  -2.1859   6.1125   3.6812   7.2114 -17.1580   11.520  619.789  247.055  498.765  241.263 121.0238 345.3171 
1 1 1   13   27   20 o  662.995  237.021   6.4079   6.2280   10.461   7.3357  -4.0559   11.787  797.511  257.739  630.107  283.777 167.4039 383.3518 
1 1 1   13   27   22 o  872.611  262.998   13.036   7.7807   25.585   11.095   0.8944   10.914  1200.69  296.807  668.894  287.942 531.8000 413.5276 
1 1 1   13   27   24 o  474.161  214.248  -2.9191   6.7830  -8.1748   9.5365   2.4619   9.6496  508.107  238.144  656.602  276.203 -148.4955 364.6926 
1 1 1   13   27   26 o  719.489  257.405   8.0275   7.3466   15.750   10.505   0.6345   10.278  942.566  308.672  639.759  277.401 302.8068 415.0056 
1 1 1   13   28    1 f  616.044  253.237   2.2433   7.8478  -8.4760   12.392   9.4212   10.141  611.009  281.195  826.909  301.517 -215.9000 412.2902 
1 1 1   13   28    3 o  768.365  298.534   6.5046   10.298   0.0000   0.0000   6.5046   10.298  ?   ?   768.365  298.534 0.000000 298.5336 
1 1 1   13   28    5 o  454.095  214.097  -8.4781   7.9111 -16.2177   12.553  -3.3790   10.189  544.573  260.436  600.398  267.604 -55.82538 373.4152 
1 1 1   13   28    7 o  573.154  249.625  -1.0787   8.3973   20.834   12.878 -17.2872   11.076  1111.66  339.092  488.362  236.315 623.3020 413.3138 
1 1 1   13   28    9 o  385.927  190.760 -18.6482   8.4574 -11.8387   12.477 -24.4371   11.504  578.546  271.552  453.661  223.914 124.8852 351.9626 
1 1 1   13   28   11 o  724.917  279.631   6.0621   8.9851   3.8334   13.034   8.0803   12.403  782.067  324.380  838.865  327.155 -56.79816 460.7090 
1 1 1   13   28   13 o  895.555  282.220   13.190   8.8380   3.7128   12.962   21.423   12.082  776.715  322.933  1116.79  325.524 -340.0774 458.5319 
1 1 1   13   28   15 o  637.166  243.195   4.8274   6.7485   0.5860   8.1156   14.333   12.150  588.969  250.775  953.527  331.903 -364.5579 415.9898 
1 1 1   13   28   17 o  669.933  262.307   4.8634   7.9975  -6.8417   10.555   20.642   12.255  564.141  259.585  1092.22  330.259 -528.0807 420.0654 
1 1 1   13   28   19 o  937.396  266.199   15.013   8.1788   18.644   11.230   10.911   11.935  1038.56  316.623  873.425  325.588 165.1314 454.1558 
1 1 1   13   28   21 o  632.733  252.339   3.9304   7.5266  -8.5713   10.766   15.884   10.527  548.773  255.831  964.339  308.447 -415.5665 400.7356 
1 1 1   13   29    0 o  1164.23  262.182   22.725   9.3279   49.286   15.292   6.9868   11.771  1718.03  294.888  812.002  318.151 906.0253 433.7956 
1 1 1   13   29    2 o  649.946  264.238   3.0197   8.4270  -7.0181   12.907   10.479   11.126  642.520  292.380  867.919  315.924 -225.3987 430.4579 
1 1 1   13   29    4 o  991.856  260.866   16.491   8.2101   12.132   10.616   22.979   12.951  895.803  310.331  1164.38  336.359 -268.5784 457.6490 
1 1 1   13   29    6 o  541.539  233.483  -0.4311   7.1988   7.1005   9.1655 -12.5584   11.630  754.941  284.549  546.681  258.308 208.2598 384.3059 
1 1 1   13   29    8 o  593.666  244.645   1.9918   7.3470   0.7280   9.0597   4.4194   12.557  625.919  265.690  783.483  320.991 -157.5641 416.6848 
1 1 1   13   29   10 o  1088.61  228.136   19.765   7.5277   9.6071   9.2558   39.610   12.937  813.044  289.130  1536.23  279.236 -723.1904 401.9567 
1 1 1   13   29   12 o  563.602  247.514  -1.6491   8.4097 -16.0165   11.686   13.783   12.111  517.408  248.455  947.195  331.283 -429.7874 414.0992 
1 1 1   13   29   14 o  618.944  283.305  -7.2305   12.347   0.0000   0.0000  -7.2305   12.347  ?   ?   618.944  283.305 0.000000 283.3046 
1 1 1   13   29   16 o  932.418  337.047   12.989   12.632   0.0000   0.0000   12.989   12.632  ?   ?   932.418  337.047 0.000000 337.0474 
1 1 1   13   29   18 o  748.664  249.721   8.8284   6.8639   7.0373   8.2033   13.010   12.534  725.414  270.022  928.036  335.698 -202.6224 430.8188 
1 1 1   13   30    1 o  751.374  285.977   6.6876   9.3151   6.1411   13.232   7.2246   13.116  830.910  333.466  846.562  334.526 -15.65259 472.3417 
1 1 1   13   30    3 o  822.353  271.879   10.520   8.1425   9.1210   10.723   12.425   12.513  832.937  308.984  931.894  335.671 -98.95709 456.2306 
1 1 1   13   30    5 o  548.971  246.706  -3.8555   8.8525  -4.0270   12.863  -3.7013   12.202  675.842  300.994  660.442  293.705 15.40039 420.5468 
1 1 1   13   30    7 o  702.654  274.421   5.1485   8.7363   15.758   11.949  -7.0360   12.805  994.278  329.385  639.118  290.987 355.1600 439.5085 
1 1 1   13   30    9 o  712.315  276.095   5.5602   8.7920   13.683   11.815  -4.5177   13.161  945.656  327.408  677.186  302.812 268.4698 445.9716 
1 1 1   13   30   11 o  575.563  252.923  -1.8093   8.7932   0.6884   12.070  -4.6344   12.837  713.526  304.866  665.508  298.220 48.01776 426.4715 
1 1 1   13   30   13 o  464.066  213.760  -5.2157   7.1828  -2.4483   8.3650 -12.9841   14.015  549.912  243.932  614.153  288.117 -64.24084 377.5105 
1 1 1   13   31    0 o  838.519  305.159   9.6086   10.380   20.427   15.387   0.5740   14.061  1128.41  373.770  769.389  328.903 359.0244 497.8768 
1 1 1   13   31    2 f  881.420  298.331   11.884   9.7970   5.8791   14.590   16.814   13.221  857.771  348.069  1033.90  346.585 -176.1271 491.1954 
1 1 1   13   31    4 f  546.449  248.624  -5.3799   9.3280   2.6877   12.518 -15.4537   13.988  759.357  316.668  596.465  282.271 162.8920 424.2120 
1 1 1   13   31    6 o  517.170  231.819  -3.2617   7.7630 -17.6123   9.6344   23.302   13.108  437.562  213.697  1174.97  338.086 -737.4121 399.9608 
1 1 1   14    0    0 o  1093.99  147.393   19.850   4.7912   19.850   4.7912   19.850   4.7912  1093.99  147.393  1093.99  147.393 -0.000000 0.000000 
1 1 1   14    0    4 o  380.675  173.168   3.3209   2.2360   3.3209   2.2360   3.3209   2.2360  380.675  173.168  380.675  173.168 -0.000000 0.000000 
1 1 1   14    0    6 o  1730.31  103.177   47.543   5.5446   47.543   5.5446   47.543   5.5446  1730.31  103.177  1730.31  103.177 -0.000000 0.000000 
1 1 1   14    0    8 o  4674.68  246.615  352.690   35.869  352.690   35.869  352.690   35.869  4674.68  246.615  4674.68  246.615 -0.000000 0.000000 
1 1 1   14    0   10 o  916.448   98.816   13.653   2.7522   13.653   2.7522   13.653   2.7522  916.448   98.816  916.448   98.816 -0.000000 0.000000 
1 1 1   14    0   12 o  2366.32  114.556   88.859   8.4427   88.859   8.4427   88.859   8.4427  2366.32  114.556  2366.32  114.556 -0.000000 0.000000 
1 1 1   14    0   14 o  739.675  107.737   9.1486   2.3408   9.1486   2.3408   9.1486   2.3408  739.675  107.737  739.675  107.737 -0.000000 0.000000 
1 1 1   14    0   16 o  620.265  181.198   7.4853   3.0561   7.4853   3.0561   7.4853   3.0561  620.265  181.198  620.265  181.198 -0.000000 0.000000 
1 1 1   14    0   18 o  413.376  146.035   3.5546   1.7180   3.5546   1.7180   3.5546   1.7180  413.376  146.035  413.376  146.035 -0.000000 0.000000 
1 1 1   14    0   20 o  1213.25  148.125   24.449   5.4031   24.449   5.4031   24.449   5.4031  1213.25  148.125  1213.25  148.125 -0.000000 0.000000 
1 1 1   14    0   22 o  971.179  156.184   16.143   4.3812   16.143   4.3812   16.143   4.3812  971.179  156.184  971.179  156.184 -0.000000 0.000000 
1 1 1   14    0   24 o  935.761  158.613   15.128   4.2466   15.128   4.2466   15.128   4.2466  935.761  158.613  935.761  158.613 -0.000000 0.000000 
1 1 1   14    0   26 o  215.217  136.427   0.3019   1.9882   0.3019   1.9882   0.3019   1.9882  215.217  136.427  215.217  136.427 -0.000000 0.000000 
1 1 1   14    0   28 o  842.474  173.946   12.710   4.0511   12.710   4.0511   12.710   4.0511  842.474  173.946  842.474  173.946 -0.000000 0.000000 
1 1 1   14    0   30 o  277.323  162.505   1.4785   2.3690   1.4785   2.3690   1.4785   2.3690  277.323  162.505  277.323  162.505 -0.000000 0.000000 
1 1 1   14    0   32 o  1265.26  152.975   26.614   5.8253   26.614   5.8253   26.614   5.8253  1265.26  152.975  1265.26  152.975 -0.000000 0.000000 
1 1 1   14    0   34 o  277.943  167.994   1.2386   2.6834   1.2386   2.6834   1.2386   2.6834  277.943  167.994  277.943  167.994 -0.000000 0.000000 
1 1 1   14    0   36 o  1179.29  164.146   23.478   5.7255   23.478   5.7255   23.478   5.7255  1179.29  164.146  1179.29  164.146 -0.000000 0.000000 
1 1 1   14    0   38 o  996.607  121.622   16.424   3.6443   16.424   3.6443   16.424   3.6443  996.607  121.622  996.607  121.622 -0.000000 0.000000 
1 1 1   14    0   40 o  2112.88  168.443   73.039   10.981   73.039   10.981   73.039   10.981  2112.88  168.443  2112.88  168.443 -0.000000 0.000000 
1 1 1   14    0   42 o  2155.11  171.109   76.438   11.379   76.438   11.379   76.438   11.379  2155.11  171.109  2155.11  171.109 -0.000000 0.000000 
1 1 1   14    0   44 o  819.064  158.805   11.927   3.6327   11.927   3.6327   11.927   3.6327  819.064  158.805  819.064  158.805 -0.000000 0.000000 
1 1 1   14    0   46 o  783.250  174.188   11.319   3.7333   11.319   3.7333   11.319   3.7333  783.250  174.188  783.250  174.188 -0.000000 0.000000 
1 1 1   14    0   48 o  252.510  173.335  -2.4599   4.4286  -2.4599   4.4286  -2.4599   4.4286  252.510  173.335  252.510  173.335 -0.000000 0.000000 
1 1 1   14    0   50 o  966.054  295.524   20.418   7.8119   20.418   7.8119   20.418   7.8119  966.054  295.524  966.054  295.524 -0.000000 0.000000 
1 1 1   14    1    1 f  4631.75  169.708  342.074   24.613  327.378   34.789  356.804   34.827  4478.50  249.063  4684.03  238.242 -205.5273 344.6613 
1 1 1   14    1    3 o  2910.99  125.529  134.050   11.442  134.502   16.172  133.597   16.191  2895.25  179.269  2885.13  180.119 10.11548 254.1259 
1 1 1   14    1    5 o  1759.81   83.465   48.722   4.5992   48.247   5.6234   49.681   7.9932  1745.98  103.319  1762.51  146.153 -16.52747 178.9846 
1 1 1   14    1    7 o  2890.62  101.131  131.833   9.1536  128.007   11.202  139.521   15.879  2842.37  125.863  2947.31  172.820 -104.9456 213.7949 
1 1 1   14    1    9 o  4186.19  158.909  280.331   20.830  289.141   29.448  271.510   29.467  4201.86  224.634  4065.09  232.465 136.7734 323.2654 
1 1 1   14    1   11 o  1402.09   80.149   31.081   3.5041   31.253   4.2909   30.738   6.0717  1402.52   98.327  1379.87  142.582 22.65100 173.1987 
1 1 1   14    1   13 o  2620.23  119.581  109.503   9.8111  112.621   13.888  106.396   13.862  2628.09  169.675  2551.19  174.573 76.90601 243.4443 
1 1 1   14    1   15 o  1637.93  102.247   42.884   5.2178   45.262   7.4115   40.546   7.3471  1666.74  143.407  1573.58  150.965 93.16162 208.2208 
1 1 1   14    1   17 o  1366.10   80.365   29.691   3.4225   31.267   4.2014   26.583   5.9010  1397.14   96.631  1266.61  151.811 130.5315 179.9561 
1 1 1   14    1   19 o  480.865   96.555   3.8204   1.4033   3.3062   1.7138   4.8666   2.4447  444.910  120.184  536.020  143.010 -91.11008 186.8045 
1 1 1   14    1   21 o  455.339  100.707   3.4526   1.3978   1.8350   1.6945   6.8967   2.4726  353.625  123.903  640.500  127.764 -286.8755 177.9764 
1 1 1   14    1   23 o  425.190  121.160   3.0326   1.6913   1.4493   2.4678   4.4349   2.3225  368.483  145.266  509.234  140.895 -140.7511 202.3696 
1 1 1   14    1   25 o  550.607  119.006   5.1589   1.9919   7.3017   2.8619   3.1454   2.7742  647.792  144.737  447.508  158.380 200.2841 214.5531 
1 1 1   14    1   27 o  1126.66   82.839   20.517   2.9019   22.225   3.5738   17.209   4.9721  1165.31   98.875  985.758  167.049 179.5500 194.1179 
1 1 1   14    1   29 o  1379.73  103.447   31.202   4.4367   31.460   6.3277   30.952   6.2224  1351.45  152.180  1341.53  150.739 9.922974 214.1980 
1 1 1   14    1   31 o  569.178  107.413   5.4487   1.8442   4.4918   3.2614   5.8985   2.2360  512.647  172.136  586.434  125.555 -73.78693 213.0605 
1 1 1   14    1   33 o  360.201  133.481   1.8198   2.0002   0.0000   0.0000   1.8198   2.0002  ?   ?   360.201  133.481 0.000000 133.4810 
1 1 1   14    1   35 o  833.323  189.882   13.086   4.8442   0.0000   0.0000   13.086   4.8442  ?   ?   833.323  189.882 0.000000 189.8821 
1 1 1   14    1   37 o  3153.13  113.006  166.320   11.157  175.594   19.296  161.661   13.675  3022.67  205.091  3050.04  143.188 -27.36450 250.1302 
1 1 1   14    1   39 o  3350.67  148.840  199.341   15.616   0.0000   0.0000  199.341   15.616  ?   ?   3350.67  148.840 0.000000 148.8402 
1 1 1   14    1   41 o  1531.61   92.176   39.234   4.4000   47.946   7.7321   35.061   5.3509  1603.06  156.016  1414.32  122.021 188.7333 198.0657 
1 1 1   14    1   43 o  2067.44  128.014   79.410   8.2465   0.0000   0.0000   79.410   8.2465  ?   ?   2067.44  128.014 0.000000 128.0144 
1 1 1   14    1   45 o  562.072  155.001   7.1679   2.8163   7.3052   5.2708   7.1130   3.3318  478.130  202.789  530.513  173.842 -52.38336 267.1036 
1 1 1   14    1   47 o  1182.33  115.000   28.297   4.2036   26.530   5.1537   31.809   7.2659  1035.55  164.434  906.794  248.514 128.7599 297.9893 
1 1 1   14    1   49 o  1382.48   98.290   38.222   4.2271   38.159   6.0231   38.283   5.9341  1162.71  170.502  1180.03  165.121 -17.32141 237.3514 
1 1 1   14    1   51 o  528.491  175.568   10.836   3.3940   7.6615   4.9042   13.753   4.7018  347.002  165.064  472.316  195.276 -125.3139 255.6926 
1 1 1   14    1   53 o  244.668  122.002   0.7649   3.7687   10.355   6.8282  -3.4363   4.5194  290.830  147.343  ?   ?  0.000000 147.3432 
1 1 1   14    2    0 o  1914.91  151.000   58.584   8.9806   58.584   8.9806   0.0000   0.0000  1914.91  151.000  ?   ?  0.000000 151.0001 
1 1 1   14    2    2 o  3248.93  108.091  166.514   10.996  159.725   13.456  180.161   19.078  3175.23  135.343  3351.56  182.479 -176.3276 227.1920 
1 1 1   14    2    4 o  860.494   79.714   11.741   2.1234   11.177   2.5903   12.897   3.7078  836.087  100.987  892.000  137.143 -55.91260 170.3133 
1 1 1   14    2    6 o  1720.64   83.198   46.586   4.4825   47.322   5.4877   45.110   7.7703  1729.09  101.807  1677.50  149.498 51.59180 180.8705 
1 1 1   14    2    8 o  3924.55  122.486  244.083   15.052  239.972   18.428  252.322   26.089  3878.88  151.728  3937.78  212.373 -58.90967 261.0051 
1 1 1   14    2   10 o  1208.02   96.540   23.193   3.6212   20.739   5.0853   25.718   5.1579  1130.45  147.152  1264.65  132.206 -134.1986 197.8187 
1 1 1   14    2   12 o  3367.27  137.573  181.523   14.505  190.124   20.516  172.925   20.511  3405.09  193.214  3239.20  203.259 165.8953 280.4382 
1 1 1   14    2   14 o  1180.92   97.953   22.294   3.5894   23.094   5.1103   21.516   5.0426  1189.71  139.847  1146.54  143.610 43.16943 200.4525 
1 1 1   14    2   16 o  1243.27   79.059   24.574   3.0618   24.308   3.7499   25.106   5.3030  1231.48   98.060  1237.46  139.280 -5.987183 170.3370 
1 1 1   14    2   18 o  299.646  101.322   1.3437   1.1300   1.5186   1.3573   0.9485   2.0402  321.525  110.989  328.468  131.252 -6.942993 171.8881 
1 1 1   14    2   20 o  1151.12   80.905   21.162   2.8976   21.784   3.5540   19.931   5.0044  1162.53   98.562  1091.17  150.471 71.36072 179.8776 
1 1 1   14    2   22 o  1713.42   84.724   46.858   4.5456   48.166   5.5701   44.251   7.8649  1726.26  103.527  1621.98  156.813 104.2786 187.9042 
1 1 1   14    2   24 o  1224.14   81.756   24.075   3.1157   24.936   3.8218   22.369   5.3802  1238.51   99.386  1143.71  154.161 94.79749 183.4213 
1 1 1   14    2   26 o  1522.59   71.853   37.011   3.4257   35.342   4.8283   38.702   4.8611  1468.15  105.736  1539.38  101.418 -71.22742 146.5114 
1 1 1   14    2   28 o  1841.46   87.872   54.700   5.0668   60.538   8.7187   51.723   6.2260  1881.47  149.216  1770.78  112.875 110.6990 187.0995 
1 1 1   14    2   30 o  643.387  162.172   7.3741   3.2661   0.0000   0.0000   7.3741   3.2661  ?   ?   643.387  162.172 0.000000 162.1720 
1 1 1   14    2   32 o  1560.91   87.667   39.401   4.2674   41.761   7.3799   38.216   5.2306  1557.90  153.268  1523.08  110.426 34.81238 188.9051 
1 1 1   14    2   34 f  314.050  119.700   1.2409   1.6335   0.2165   3.0051   1.6706   1.9460  348.163  150.479  349.942  131.269 -1.779358 199.6886 
1 1 1   14    2   36 o  851.023  129.660   12.497   3.3459   11.561   4.5394   13.609   4.9511  780.012  188.052  845.631  191.440 -65.61932 268.3526 
1 1 1   14    2   38 f  1683.67   78.200   45.906   4.1227   47.622   5.8779   44.245   5.7839  1682.59  112.209  1618.99  114.837 63.59924 160.5564 
1 1 1   14    2   40 o  2852.73   92.185  134.655   8.2345  141.866   11.664  127.489   11.627  2851.84  130.614  2683.50  138.850 168.3413 190.6293 
1 1 1   14    2   42 o  1527.93   82.959   38.967   3.9541   38.751   5.6656   39.172   5.5212  1468.65  124.369  1483.28  119.900 -14.63330 172.7536 
1 1 1   14    2   44 o  351.606  141.839   2.0912   2.4074   9.2161   4.7566  -0.3625   2.7913  573.026  206.876  292.395  134.154 280.6311 246.5661 
1 1 1   14    2   46 o  242.557  119.398  -3.7183   3.1974  -6.1255   4.6989  -1.6428   4.3632  269.631  134.726  303.846  147.348 -34.21515 199.6562 
1 1 1   14    2   48 o  464.115  166.261   6.5981   3.0660   17.246   6.4075   3.4363   3.4916  542.960  226.505  351.756  156.726 191.2037 275.4408 
1 1 1   14    2   50 o  225.911  113.031  -3.6312   3.3582   0.0000   0.0000  -3.6312   3.3582  ?   ?   225.911  113.031 0.000000 113.0312 
1 1 1   14    2   52 o  1055.20  162.223   35.589   5.1883   43.392   9.1557   31.899   6.2970  473.774  225.417  663.113  238.196 -189.3396 327.9483 
1 1 1   14    3    1 o  567.854  105.030   5.2435   1.7987   6.1689   2.6446   4.4468   2.4537  611.854  140.940  521.751  144.983 90.10278 202.1988 
1 1 1   14    3    3 o  3266.14  108.336  168.319   11.080  178.021   13.579  148.997   19.163  3353.44  129.321  3037.51  202.645 315.9270 240.3927 
1 1 1   14    3    5 o  2552.92   95.782  102.702   7.6567  102.688   9.3736  102.730   13.273  2548.60  117.459  2530.97  168.438 17.63428 205.3489 
1 1 1   14    3    7 o  2578.61   82.865  104.660   6.6908  103.932   9.4650  105.387   9.4593  2562.63  117.955  2580.71  117.059 -18.07935 166.1813 
1 1 1   14    3    9 o  1370.36   68.464   29.524   2.9378   27.274   4.1506   31.783   4.1587  1309.93  101.996  1416.11   94.326 -106.1813 138.9265 
1 1 1   14    3   11 o  2244.37   90.841   79.580   6.3840   78.111   11.044   80.318   7.8234  2196.78  161.693  2249.73  111.058 -52.95435 196.1592 
1 1 1   14    3   13 o  1853.99  105.590   54.815   6.1044   55.338   8.6543   54.297   8.6117  1845.48  151.089  1827.59  151.861 17.88660 214.2184 
1 1 1   14    3   15 o  1411.80   79.656   31.640   3.5070   30.018   4.2910   34.904   6.0862  1369.34  100.783  1465.25  134.143 -95.90552 167.7839 
1 1 1   14    3   17 o  801.908  101.724   10.428   2.4968   10.428   2.4968   0.0000   0.0000  801.908  101.724  ?   ?  0.000000 101.7238 
1 1 1   14    3   19 o  1201.31   69.561   22.909   2.6054   22.572   3.6932   23.243   3.6761  1183.61  100.603  1201.87   98.549 -18.26208 140.8295 
1 1 1   14    3   21 o  470.636  102.777   3.6905   1.4722   2.9553   1.7715   5.3318   2.6467  422.415  125.081  558.354  148.721 -135.9384 194.3275 
1 1 1   14    3   23 o  633.217  110.225   6.6714   2.1061   6.5086   2.8816   6.8581   3.0859  612.797  151.122  627.417  157.353 -14.61951 218.1694 
1 1 1   14    3   25 o  401.092  120.488   2.6906   1.6351   3.3382   2.2900   2.0171   2.3353  447.236  143.949  384.243  143.864 62.99344 203.5148 
1 1 1   14    3   27 o  1393.47   82.677   31.299   3.5913   32.159   6.1538   30.855   4.4225  1372.74  145.378  1372.36  103.681 0.3802490 178.5621 
1 1 1   14    3   29 f  2135.36   91.381   73.603   6.1100   77.928   7.5078   65.120   10.514  2179.85  110.354  1925.99  176.301 253.8534 207.9905 
1 1 1   14    3   31 f  327.585  115.322   1.5920   1.4689  -0.7553   2.5011   2.8281   1.8149  295.238  132.014  411.475  127.605 -116.2375 183.6042 
1 1 1   14    3   33 o  920.199   96.188   13.886   2.7306   15.145   4.9282   13.329   3.2801  915.164  178.388  890.020  120.821 25.14374 215.4527 
1 1 1   14    3   35 o  1638.31   76.412   43.167   3.9199   37.007   5.5496   49.300   5.5376  1484.13  120.459  1729.88  102.692 -245.7506 158.2910 
1 1 1   14    3   37 o  2896.92   92.072  137.235   8.3518  141.051   11.832  133.446   11.791  2874.00  131.479  2789.15  135.004 84.84326 188.4488 
1 1 1   14    3   39 o  2392.59   85.345   93.529   6.3939   96.845   9.0702   90.253   9.0147  2380.93  122.073  2291.93  126.097 89.00659 175.5054 
1 1 1   14    3   41 o  2506.54  103.869  106.579   8.1523  127.343   14.105   96.163   9.9900  2555.68  177.350  2309.75  138.772 245.9333 225.1909 
1 1 1   14    3   43 o  2139.78  133.273   86.397   8.8852   98.549   12.399   73.567   12.740  2112.68  189.434  1655.23  253.906 457.4508 316.7859 
1 1 1   14    3   45 o  382.093  158.794   3.0530   3.1323   3.1339   4.0646   2.9348   4.9150  389.931  171.640  392.057  179.188 -2.126312 248.1299 
1 1 1   14    3   47 o  1505.11  105.285   44.139   4.9307   53.922   8.4151   39.025   6.0846  1349.53  205.641  1281.42  154.780 68.11182 257.3814 
1 1 1   14    3   49 o  463.804  163.953   6.9047   2.9720   2.2530   4.8078   9.7815   3.7809  319.146  154.746  508.829  184.328 -189.6829 240.6721 
1 1 1   14    3   51 o  454.438  175.317   9.2660   3.5321   17.127   6.2440   5.5667   4.2834  426.663  197.506  331.935  156.815 94.72809 252.1893 
1 1 1   14    3   53 o  496.941  208.698   23.052   5.4946   0.0000   0.0000   23.052   5.4946  ?   ?   496.941  208.698 0.000000 208.6981 
1 1 1   14    4    0 o  1439.83   80.895   32.694   3.6324   29.748   6.2959   34.163   4.4471  1360.81  150.263  1469.63   97.188 -108.8262 178.9538 
1 1 1   14    4    2 o  3643.80  116.850  209.734   13.332  206.790   23.086  211.207   16.331  3578.92  206.889  3648.54  142.944 -69.61792 251.4679 
1 1 1   14    4    4 o  3095.48   91.805  150.897   8.8984  148.017   12.589  153.772   12.579  3056.45  131.542  3116.02  128.926 -59.57813 184.1875 
1 1 1   14    4    6 o  1857.74   84.909   54.329   4.9392   55.474   6.0647   52.072   8.5118  1871.89  103.878  1801.84  152.291 70.04932 184.3455 
1 1 1   14    4    8 o  3140.29   92.209  155.521   9.0669  149.373   12.818  161.678   12.827  3065.42  133.540  3191.00  128.376 -125.5818 185.2387 
1 1 1   14    4   10 o  1737.94   83.105   47.630   4.5225   48.069   7.8943   47.415   5.5177  1726.90  147.404  1727.88  102.440 -0.9836426 179.5047 
1 1 1   14    4   12 o  2111.23  109.651   71.052   7.2239   0.0000   0.0000   71.052   7.2239  ?   ?   2111.23  109.651 0.000000 109.6513 
1 1 1   14    4   14 o  272.932   90.180   1.1269   0.8959   1.3742   1.2775   0.8875   1.2567  309.416  107.627  277.652  105.193 31.76358 150.4964 
1 1 1   14    4   16 o  995.596   68.782   15.729   2.1311   15.691   3.0095   15.767   3.0182  987.480   98.649  989.903   98.688 -2.423462 139.5384 
1 1 1   14    4   18 o  300.094  105.792   1.2760   1.2366   1.9058   1.6680   0.5074   1.8426  357.787  123.065  297.757  122.589 60.03024 173.7040 
1 1 1   14    4   20 o  1289.32   69.822   26.397   2.8083   28.443   3.9747   24.357   3.9685  1330.36   96.061  1227.74  104.212 102.6213 141.7319 
1 1 1   14    4   22 f  481.009   89.992   3.8151   1.3056   4.6786   1.8236   2.9070   1.8701  527.990  113.666  420.147  129.403 107.8428 172.2356 
1 1 1   14    4   24 o  529.293   85.317   4.5964   1.3659   4.9220   1.9742   4.2972   1.8919  538.239  120.175  502.222  121.603 36.01651 170.9661 
1 1 1   14    4   26 o  321.339  107.959   1.6042   1.2829  -1.2291   1.6499   5.9360   2.0401  220.152  101.775  592.926  114.023 -372.7733 152.8376 
1 1 1   14    4   28 o  2422.54   95.169   94.927   7.2191   95.531   8.8574   93.731   12.459  2410.18  117.365  2318.95  172.827 91.22949 208.9108 
1 1 1   14    4   30 o  927.697   76.220   13.838   2.1945   14.221   3.0714   13.439   3.1366  928.734  107.608  899.898  113.862 28.83673 156.6651 
1 1 1   14    4   32 o  580.545   97.118   5.5952   1.7031   5.9262   2.4147   5.2676   2.4024  585.023  134.615  549.968  139.340 35.05591 193.7437 
1 1 1   14    4   34 o  1622.01   86.511   42.625   4.3780   43.819   7.4728   42.001   5.4021  1590.78  151.868  1594.60  108.842 -3.819702 186.8435 
1 1 1   14    4   36 f  2098.96   92.812   71.870   6.0999   84.684   10.558   65.449   7.4736  2198.00  154.379  1971.81  121.639 226.1985 196.5425 
1 1 1   14    4   38 o  1683.60   90.170   46.456   4.7363   52.981   8.1275   43.101   5.8281  1730.34  151.533  1597.01  117.370 133.3265 191.6716 
1 1 1   14    4   40 o  2383.76  126.517   98.680   9.4096   0.0000   0.0000   98.680   9.4096  ?   ?   2383.76  126.517 0.000000 126.5169 
1 1 1   14    4   42 o  690.842  123.410   8.7037   2.5716   4.9724   4.4886   10.527   3.1377  491.076  195.175  747.484  139.177 -256.4084 239.7155 
1 1 1   14    4   44 o  1045.82  139.425   21.853   4.4520   22.646   5.9384   20.835   6.7275  953.107  205.062  822.677  243.786 130.4294 318.5620 
1 1 1   14    4   46 o  829.156  156.662   15.792   3.9183   0.0000   0.0000   15.792   3.9183  ?   ?   829.156  156.662 0.000000 156.6622 
1 1 1   14    4   48 o  502.244  156.208   6.8435   2.7175   3.1082   4.5294   8.9443   3.3968  345.527  162.633  538.860  175.479 -193.3332 239.2540 
1 1 1   14    4   50 o  350.927  147.192   4.0063   2.7276   7.5477   4.6727   2.1760   3.3593  377.903  173.455  301.009  141.163 76.89401 223.6375 
1 1 1   14    4   52 o  362.714  157.014   6.5130   3.2820   9.9371   6.2835   5.2283   3.8488  321.874  160.018  316.178  149.151 5.696594 218.7504 
1 1 1   14    5    1 o  2267.87   90.478   80.955   6.4251   79.417   11.123   81.725   7.8711  2228.06  160.508  2275.66  110.461 -47.60205 194.8449 
1 1 1   14    5    3 o  2631.48   97.351  109.122   8.0215  108.355   13.889  109.507   9.8260  2599.18  171.619  2631.84  119.234 -32.66016 208.9729 
1 1 1   14    5    5 o  2172.02   89.577   74.305   6.0923   74.603   7.4711   73.713   10.525  2170.31  110.301  2144.45  157.854 25.86450 192.5723 
1 1 1   14    5    7 o  2365.94   92.366   88.266   6.8428   82.520   8.3708   99.840   11.880  2279.66  117.669  2496.54  152.706 -216.8838 192.7827 
1 1 1   14    5    9 o  2064.58   75.725   67.120   4.8954   65.394   6.9295   68.840   6.9169  2028.67  109.492  2082.41  106.435 -53.73645 152.6984 
1 1 1   14    5   11 o  1950.81   74.765   59.993   4.5670   61.116   6.4714   58.879   6.4461  1959.52  105.864  1922.72  107.500 36.79102 150.8754 
1 1 1   14    5   13 o  1541.73   70.641   37.492   3.4102   36.368   4.8297   38.610   4.8159  1508.85  102.838  1555.87   99.371 -47.01038 143.0044 
1 1 1   14    5   15 o  308.976  105.427   1.4097   1.2236   0.9341   1.8384   1.7880   1.6394  316.807  125.226  350.615  121.927 -33.80832 174.7788 
1 1 1   14    5   17 o  1412.77   80.491   31.744   3.5459   31.603   4.3506   32.024   6.1201  1403.83   99.620  1396.54  141.927 7.293701 173.3999 
1 1 1   14    5   19 o  1023.41   79.865   16.722   2.5390   15.762   3.0964   18.693   4.4361  987.464  101.591  1063.75  136.317 -76.28735 170.0090 
1 1 1   14    5   21 o  1279.88   97.669   26.404   3.8847   21.632   5.4637   31.283   5.5243  1131.28  158.599  1379.41  129.412 -248.1306 204.6980 
1 1 1   14    5   23 o  1029.37   82.577   17.035   2.6392   17.077   3.2197   16.949   4.6077  1023.80  101.785  996.830  152.467 26.97107 183.3198 
1 1 1   14    5   25 o  522.009  101.912   4.5574   1.6060   3.6762   1.9370   6.4957   2.8728  463.957  128.777  609.069  151.311 -145.1124 198.6919 
1 1 1   14    5   27 o  1525.95   84.471   37.479   4.0204   39.564   4.9495   33.434   6.8932  1558.35  101.995  1392.27  161.092 166.0795 190.6662 
1 1 1   14    5   29 o  1158.08   84.309   21.608   3.0363   22.742   3.7523   19.456   5.1675  1180.43  102.536  1060.62  160.624 119.8088 190.5620 
1 1 1   14    5   31 o  989.334  109.850   16.142   3.3455   14.969   4.3499   17.841   5.2346  930.011  154.816  1006.23  172.336 -76.22174 231.6630 
1 1 1   14    5   33 o  2116.16   92.715   72.493   6.1435   68.680   7.4563   80.551   10.841  2036.86  117.406  2155.21  161.821 -118.3542 199.9260 
1 1 1   14    5   35 o  1104.38  113.976   20.382   3.8847   19.690   5.1776   21.273   5.8761  1052.98  162.244  1081.24  179.879 -28.26318 242.2386 
1 1 1   14    5   37 o  2373.46  122.339   95.017   9.0612   90.455   12.607   99.891   13.032  2220.30  182.970  2340.53  179.181 -120.2288 256.0937 
1 1 1   14    5   39 o  1314.00  188.432   32.925   7.5310   0.0000   0.0000   32.925   7.5310  ?   ?   1314.00  188.432 0.000000 188.4324 
1 1 1   14    5   41 o  634.190  223.730   9.3551   5.5315   0.0000   0.0000   9.3551   5.5315  ?   ?   634.190  223.730 0.000000 223.7303 
1 1 1   14    5   43 o  672.507  234.484   13.218   6.0654   0.0000   0.0000   13.218   6.0654  ?   ?   672.507  234.484 0.000000 234.4844 
1 1 1   14    5   45 o  768.981  169.892   13.810   3.9817   18.489   5.1420   6.8036   6.2926  840.469  198.546  454.803  205.852 385.6664 285.9990 
1 1 1   14    5   47 o  424.759  197.907   8.1835   6.4283   0.0000   0.0000   8.1835   6.4283  ?   ?   424.759  197.907 0.000000 197.9068 
1 1 1   14    5   49 o  276.413  133.176  -0.1273   3.4263  -0.4957   3.8231   1.3762   7.7232  278.838  135.833  323.689  163.189 -44.85095 212.3238 
1 1 1   14    5   51 o  351.017  177.306   18.095   9.3723   0.0000   0.0000   18.095   9.3723  ?   ?   351.017  177.306 0.000000 177.3057 
1 1 1   14    6    0 f  288.890   98.540   1.2080   1.0689   2.2968   1.9093   0.7109   1.2901  392.849  131.708  271.181  105.579 121.6684 168.8017 
1 1 1   14    6    2 o  3609.90  142.879  206.911   16.150   0.0000   0.0000  206.911   16.150  ?   ?   3609.90  142.879 0.000000 142.8794 
1 1 1   14    6    4 o  3968.84  220.495  256.293   27.294  256.293   27.294   0.0000   0.0000  3968.84  220.495  ?   ?  0.000000 220.4950 
1 1 1   14    6    6 o  2901.72   87.988  132.685   7.9946  133.125   11.315  132.246   11.297  2897.07  124.737  2887.43  124.947 9.636230 176.5531 
1 1 1   14    6    8 o  508.980   79.707   4.1779   1.2286   3.8320   1.7533   4.5117   1.7222  481.965  117.290  524.326  108.475 -42.36087 159.7616 
1 1 1   14    6   10 o  1085.04   79.365   18.669   2.6777   18.656   4.6010   18.675   3.2929  1070.47  140.673  1081.59   98.302 -11.12524 171.6160 
1 1 1   14    6   12 o  1696.37   83.731   45.507   4.4476   44.796   5.4610   46.907   7.6648  1675.29  104.627  1699.64  145.423 -24.34998 179.1494 
1 1 1   14    6   14 o  458.340   99.082   3.4679   1.3805   4.4684   1.6842   1.4189   2.4103  520.136  106.979  369.344  144.170 150.7924 179.5259 
1 1 1   14    6   16 o  890.285   81.875   12.665   2.2568   15.689   3.8776   11.116   2.7753  978.195  129.803  826.659  109.946 151.5353 170.1084 
1 1 1   14    6   18 o  587.826   91.984   5.6280   1.6376   6.1277   2.0120   4.6474   2.8185  609.552  109.437  527.251  158.149 82.30017 192.3217 
1 1 1   14    6   20 o  1440.15   81.973   33.084   3.6812   31.963   4.5064   35.333   6.3823  1407.96  102.929  1462.68  141.101 -54.71875 174.6537 
1 1 1   14    6   22 o  722.062   94.473   8.4970   2.0848   10.130   2.4908   4.6777   3.8097  786.453  103.673  536.367  185.902 250.0859 212.8563 
1 1 1   14    6   24 o  462.922  112.345   3.6247   1.6120   2.9776   1.9294   5.1208   2.9336  423.446  131.607  543.071  160.996 -119.6255 207.9426 
1 1 1   14    6   26 o  286.059  110.540   0.9168   1.4060   0.5127   1.8267   1.5040   2.2023  294.073  121.661  356.887  138.224 -62.81442 184.1392 
1 1 1   14    6   28 o  1155.23   85.926   21.500   3.0860   22.158   3.8027   20.229   5.2812  1164.76  105.408  1083.94  160.447 80.81604 191.9741 
1 1 1   14    6   30 o  1048.11  105.650   17.986   3.4200   23.497   4.7452   12.029   4.9336  1186.87  129.798  812.581  196.137 374.2908 235.1966 
1 1 1   14    6   32 o  1052.62  115.882   18.373   3.7562   21.404   4.9138   14.111   5.8262  1121.40  143.210  864.095  215.936 257.3087 259.1094 
1 1 1   14    6   34 o  1420.03  111.811   33.369   4.9314   35.322   6.5931   30.889   7.4297  1432.09  149.221  1306.06  187.012 126.0250 239.2498 
1 1 1   14    6   36 o  2725.40  132.473  125.719   11.305  131.969   15.766  119.104   16.219  2687.46  188.545  2514.89  207.830 172.5781 280.6110 
1 1 1   14    6   38 o  1215.23  116.903   24.958   4.3935   23.788   5.7090   26.658   6.8803  1147.93  163.443  1188.52  191.376 -40.58508 251.6709 
1 1 1   14    6   40 o  1040.88  219.200   22.801   6.9185   0.0000   0.0000   22.801   6.9185  ?   ?   1040.88  219.200 0.000000 219.1999 
1 1 1   14    6   42 o  319.978  139.247   0.5736   2.6086  -2.5564   3.1215   7.8221   4.7502  275.693  131.296  572.281  206.717 -296.5874 244.8889 
1 1 1   14    6   44 o  742.263  207.070   14.543   4.9949   12.139   7.9499   16.111   6.4204  547.385  240.516  694.774  241.305 -147.3886 340.6995 
1 1 1   14    6   46 o  896.573  275.657   34.298   8.4903   0.0000   0.0000   34.298   8.4903  ?   ?   896.573  275.657 0.000000 275.6574 
1 1 1   14    6   48 o  470.333  225.018   21.093   9.3907   0.0000   0.0000   21.093   9.3907  ?   ?   470.333  225.018 0.000000 225.0180 
1 1 1   14    6   50 o  ?   ?   -1.0031   8.2318   0.0000   0.0000  -1.0031   8.2318  ?   ?   ?   ?  0.000000      ? 
1 1 1   14    6   52 o  ?   ?   -1.8127   9.3038   0.0000   0.0000  -1.8127   9.3038  ?   ?   ?   ?  0.000000      ? 
1 1 1   14    7    1 o  557.443   92.917   5.0243   1.5648   1.1489   2.7579   6.8642   1.9003  380.821  152.449  653.233   95.744 -272.4119 180.0209 
1 1 1   14    7    3 o  1401.83   98.903   31.148   4.3135   33.832   6.1782   28.595   6.0250  1453.33  137.393  1332.83  146.800 120.5082 201.0650 
1 1 1   14    7    5 o  920.651   80.842   13.446   2.3069   12.107   4.0276   14.100   2.8143  857.944  155.658  940.300   96.976 -82.35614 183.3946 
1 1 1   14    7    7 o  1753.44  104.455   48.829   5.7091   48.227   8.1048   49.423   8.0432  1729.24  151.202  1751.73  148.023 -22.49426 211.5964 
1 1 1   14    7    9 o  3509.04  114.416  195.780   12.572  177.045   21.756  205.173   15.404  3269.37  213.690  3580.11  137.409 -310.7449 254.0566 
1 1 1   14    7   11 o  866.555   82.166   11.970   2.2028   9.0339   3.8125   13.442   2.6990  731.259  169.766  916.016   95.501 -184.7568 194.7847 
1 1 1   14    7   13 o  312.057  101.151   1.5040   1.1292   3.8394   1.7954  -0.0246   1.4525  480.469  119.760  247.144  105.682 233.3257 159.7220 
1 1 1   14    7   15 o  411.342  102.050   2.8020   1.3081   1.9959   1.5421   4.8706   2.4702  359.638  118.290  538.650  143.772 -179.0115 186.1798 
1 1 1   14    7   17 o  518.388   87.387   4.3808   1.3680   4.1599   1.9134   4.6119   1.9567  498.616  123.255  525.288  121.396 -26.67252 172.9993 
1 1 1   14    7   19 o  566.031   95.415   5.2476   1.6310   3.5349   2.5834   6.3826   2.1031  468.839  153.051  621.158  112.261 -152.3194 189.8082 
1 1 1   14    7   21 o  1107.69   84.812   19.676   2.9193   19.729   3.6408   19.581   4.8856  1101.63  106.892  1079.62  148.447 22.01294 182.9278 
1 1 1   14    7   23 o  906.811  104.827   13.457   2.9216   14.858   4.0912   12.000   4.1737  936.505  144.136  829.543  166.470 106.9619 220.1986 
1 1 1   14    7   25 o  357.663  121.353   1.9780   1.6211   2.9079   2.2009   0.8752   2.3968  424.903  141.392  342.244  140.231 82.65887 199.1391 
1 1 1   14    7   27 o  1085.15  105.546   19.220   3.5409   24.603   4.9092   13.383   5.1122  1216.32  130.962  862.523  193.989 353.7997 234.0569 
1 1 1   14    7   29 o  1813.43  109.589   53.542   6.1935   59.687   8.6775   47.162   8.8428  1885.76  148.150  1655.03  173.201 230.7357 227.9184 
1 1 1   14    7   31 f  807.072  109.278   10.768   2.6906   10.263   3.6517   11.367   3.9796  767.314  157.268  805.520  163.367 -38.20612 226.7644 
1 1 1   14    7   33 o  576.605  117.058   5.6461   2.0413   5.8379   2.9645   5.4731   2.8149  574.011  159.309  557.120  155.459 16.89160 222.5914 
1 1 1   14    7   35 o  561.466  106.658   5.3210   1.8066   3.2486   2.7296   6.9363   2.4099  447.654  157.234  635.401  125.577 -187.7466 201.2268 
1 1 1   14    7   37 o  1541.25  115.794   39.731   5.5474   42.116   7.3873   36.647   8.4005  1549.94  154.263  1400.28  197.040 149.6615 250.2439 
1 1 1   14    7   39 o  366.466  122.860   2.2258   1.6614   0.9015   2.8929   2.8776   2.0295  356.874  150.734  409.815  135.746 -52.94073 202.8495 
1 1 1   14    7   41 o  506.636  126.713   4.7198   2.0050   8.8916   3.6952   2.9791   2.3870  659.542  175.751  409.639  146.705 249.9030 228.9344 
1 1 1   14    7   43 o  368.799  180.286  -3.9787   6.9060   0.0000   0.0000  -3.9787   6.9060  ?   ?   368.799  180.286 0.000000 180.2861 
1 1 1   14    7   45 o  295.915  146.790  -5.4891   5.1752 -15.6659   7.3631   4.4463   7.2753  ?   ?   422.250  200.913 0.000000 200.9132 
1 1 1   14    7   47 o  289.384  125.158   1.1706   2.0816   0.0000   0.0000   1.1706   2.0816  ?   ?   289.384  125.158 0.000000 125.1578 
1 1 1   14    7   49 o  272.847  120.041   1.1193   1.9859   7.8318   8.7167   0.7518   2.0396  361.371  180.997  262.984  118.279 98.38641 216.2174 
1 1 1   14    7   51 o  127.275   63.803  -2.5164   1.0942  -7.4126   9.7718  -2.4543   1.1012  ?   ?   128.817   64.492 0.000000 64.49175 
1 1 1   14    8    0 o  2043.15   75.581   65.638   4.8354   60.014   6.8369   71.266   6.8395  1945.40  112.720  2125.08  102.785 -179.6858 152.5474 
1 1 1   14    8    2 o  3417.32  112.105  184.706   11.996  187.775   14.709  178.614   20.728  3437.12  136.671  3318.31  200.432 118.8154 242.5947 
1 1 1   14    8    4 o  1004.69  144.005   16.408   4.4008   0.0000   0.0000   16.408   4.4008  ?   ?   1004.69  144.005 0.000000 144.0054 
1 1 1   14    8    6 o  560.232   91.986   5.0834   1.5576   6.3424   2.7594   4.4946   1.8870  617.757  145.121  521.924  118.207 95.83325 187.1711 
1 1 1   14    8    8 o  1450.98   97.741   33.482   4.4148   23.904   6.1897   43.400   6.2988  1204.94  168.677  1645.81  123.116 -440.8683 208.8291 
1 1 1   14    8   10 o  1626.14  102.397   42.152   5.1873   33.753   7.3258   50.597   7.3460  1432.94  166.368  1771.65  133.401 -338.6992 213.2462 
1 1 1   14    8   12 f  840.680   84.057   11.292   2.1830   8.2527   3.7575   12.841   2.6822  697.014  172.978  894.120   97.376 -197.1055 198.5030 
1 1 1   14    8   14 o  480.440   99.649   3.8042   1.4499   2.3043   2.2455   4.8767   1.8988  401.802  142.463  542.351  115.360 -140.5491 183.3127 
1 1 1   14    8   16 o  1689.52   72.208   45.112   3.8200   44.121   5.4231   46.088   5.3817  1659.15  104.928  1697.02  101.748 -37.87488 146.1592 
1 1 1   14    8   18 o  366.642  101.301   2.2149   1.2016   3.0646   1.6921   1.3507   1.7066  429.869  120.737  328.944  123.018 100.9256 172.3677 
1 1 1   14    8   20 o  495.928  103.755   4.0897   1.5594   5.4338   2.5628   3.2994   1.9651  564.513  144.402  445.568  131.686 118.9444 195.4313 
1 1 1   14    8   22 f  757.644  155.919   9.8902   3.5756   0.0000   0.0000   9.8902   3.5756  ?   ?   757.644  155.919 0.000000 155.9194 
1 1 1   14    8   24 o  692.631  115.076   7.9846   2.4082   11.865   3.3224   3.6899   3.4955  841.422  130.316  491.115  177.338 350.3066 220.0708 
1 1 1   14    8   26 o  763.182  115.059   9.6462   2.6642   13.890   3.6687   4.9115   3.8752  911.427  132.425  545.967  187.591 365.4602 229.6232 
1 1 1   14    8   28 o  753.257  111.950   9.3736   2.5602   11.034   3.5266   7.5239   3.7227  805.553  145.150  653.282  177.406 152.2712 229.2194 
1 1 1   14    8   30 o  991.666   95.467   15.954   2.9278   16.549   3.6923   14.945   4.8052  1000.22  120.303  924.940  172.253 75.28296 210.1042 
1 1 1   14    8   32 o  1138.72   86.973   20.939   3.0777   20.467   4.9969   21.228   3.9066  1094.28  149.765  1135.80  111.274 -41.52087 186.5785 
1 1 1   14    8   34 o  1798.60  112.476   53.293   6.3027   52.039   8.4501   54.864   9.4622  1737.30  157.032  1766.93  173.252 -29.62378 233.8276 
1 1 1   14    8   36 o  2700.06  126.188  121.927   10.669  120.404   15.092  123.447   15.083  2580.62  188.069  2618.47  185.154 -37.84229 263.9169 
1 1 1   14    8   38 o  788.249   92.138   10.274   2.2312   10.642   3.3615   9.9832   2.9832  774.939  143.827  757.721  130.439 17.21753 194.1666 
1 1 1   14    8   40 f  939.421   88.861   14.708   2.5829   17.778   3.8147   12.110   3.5098  1006.59  123.627  814.476  142.829 192.1088 188.9013 
1 1 1   14    8   42 o  1101.96  138.392   22.968   4.6699   22.968   4.6699   0.0000   0.0000  1101.96  138.392  ?   ?  0.000000 138.3916 
1 1 1   14    8   44 o  524.390  151.829   5.9783   2.6362   14.872   8.4848   5.0280   2.7734  578.367  251.411  472.992  158.737 105.3752 297.3295 
1 1 1   14    8   46 o  460.095  156.607   5.2012   2.6999  -1.6446   8.5624   5.9570   2.8450  364.454  182.070  488.454  160.671 -124.0001 242.8261 
1 1 1   14    8   48 o  507.313  154.063   6.7107   2.6626   28.912   9.1347   4.6493   2.7835  587.872  258.073  407.501  156.032 180.3712 301.5748 
1 1 1   14    8   50 o  239.227  108.067   0.4598   1.7245   11.967   9.8304   0.0944   1.7516  354.966  179.511  229.570  105.676 125.3961 208.3066 
1 1 1   14    9    1 f  2076.13   76.576   67.834   4.9781   65.943   7.0432   69.721   7.0371  2038.35  110.766  2096.89  107.538 -58.53870 154.3813 
1 1 1   14    9    3 o  1003.22   70.844   15.911   2.2111   15.225   3.1251   16.599   3.1290  975.714  103.884  1020.15   99.209 -44.43402 143.6467 
1 1 1   14    9    5 o  738.106   85.027   8.7068   1.9292   9.6923   2.3718   6.7802   3.3164  776.474   99.867  637.011  164.959 139.4621 192.8337 
1 1 1   14    9    7 o  1232.68   81.463   24.081   3.1266   27.287   5.6294   22.651   3.7598  1297.75  140.793  1191.25  101.773 106.4987 173.7251 
1 1 1   14    9    9 o  1215.37   82.393   23.440   3.1170   26.564   5.6055   22.042   3.7503  1278.06  142.496  1173.91  103.071 104.1495 175.8656 
1 1 1   14    9   11 o  1884.27   85.793   56.183   5.0619   64.272   8.9878   52.426   6.1257  1990.97  145.170  1811.35  108.503 179.6213 181.2380 
1 1 1   14    9   13 o  351.537  107.031   1.9799   1.2839   1.0925   1.9509   2.6578   1.7051  331.151  129.584  405.774  123.302 -74.62347 178.8726 
1 1 1   14    9   15 o  984.117   83.261   15.448   2.5416   15.473   4.2493   15.434   3.1715  967.491  144.711  978.353  105.177 -10.86176 178.8954 
1 1 1   14    9   17 o  261.334  100.182   0.7492   1.1483   1.4784   1.7070   0.1464   1.5519  335.985  123.527  261.902  110.501 74.08249 165.7385 
1 1 1   14    9   19 o  880.128   83.057   12.421   2.2619   11.266   3.7711   13.070   2.8268  815.330  153.342  897.693  102.399 -82.36304 184.3893 
1 1 1   14    9   21 f  1431.36   83.087   32.752   3.7079   30.609   6.3674   33.852   4.5610  1350.77  153.257  1448.12  101.223 -97.35510 183.6674 
1 1 1   14    9   23 o  271.486  108.605   0.6291   1.3986   0.2046   1.8829   1.1515   2.0889  287.104  121.455  338.141  133.540 -51.03696 180.5111 
1 1 1   14    9   25 o  1312.08   88.447   27.621   3.6126   32.569   4.5008   18.661   6.0570  1419.76  101.919  1028.91  195.144 390.8523 220.1557 
1 1 1   14    9   27 o  1024.55  106.143   17.078   3.3558   18.034   4.6400   16.029   4.8592  1036.03  147.166  966.732  166.535 69.30103 222.2425 
1 1 1   14    9   29 o  681.082  119.143   7.7407   2.4484   10.436   3.3383   4.6032   3.6017  785.007  140.991  530.315  180.880 254.6917 229.3384 
1 1 1   14    9   31 o  1943.15  119.658   61.956   7.2452   69.957   9.8691   52.603   10.670  2033.19  156.213  1719.50  202.024 313.6821 255.3750 
1 1 1   14    9   33 o  1204.40   88.116   23.441   3.3000   24.800   4.2778   21.444   5.1861  1227.19  112.581  1118.27  152.050 108.9216 189.1920 
1 1 1   14    9   35 o  2493.57   94.494  100.718   7.3781  104.974   9.1963   93.029   12.360  2524.02  116.360  2303.97  172.579 220.0474 208.1420 
1 1 1   14    9   37 o  565.498  111.688   5.4501   1.9075   7.6831   2.6461   3.0344   2.7523  665.042  131.729  436.832  157.416 228.2102 205.2614 
1 1 1   14    9   39 o  872.860   99.315   12.788   2.6661   12.944   3.6136   12.601   3.9496  851.352  140.454  826.438  158.389 24.91345 211.6935 
1 1 1   14    9   43 o  371.575  139.895   2.5362   2.2142 -19.0129   8.1914   4.2348   2.2998  307.846  156.504  455.060  144.024 -147.2147 212.6886 
1 1 1   14    9   45 o  670.600  157.424   10.052   3.2490   13.165   9.0301   9.5891   3.4822  511.576  237.060  632.006  171.560 -120.4296 292.6267 
1 1 1   14    9   47 o  514.953  154.861   6.5767   2.6999   12.295   9.8099   6.1081   2.8084  436.326  213.629  485.448  159.630 -49.12103 266.6822 
1 1 1   14    9   49 o  514.948  150.803   7.0008   2.5875   21.250   10.360   6.0528   2.6722  429.151  211.941  461.289  155.807 -32.13736 263.0490 
1 1 1   14    9   51 o  432.443  158.063   6.4981   2.7891   0.0000   0.0000   6.4981   2.7891  ?   ?   432.443  158.063 0.000000 158.0629 
1 1 1   14   10    0 o  645.566   79.911   6.6635   1.5808   6.7249   2.3348   6.6116   2.1481  640.747  120.801  636.976  111.778 3.770203 164.5820 
1 1 1   14   10    2 o  1761.54   84.804   48.942   4.6776   48.142   5.7505   50.508   8.0418  1740.36  106.029  1771.02  146.325 -30.66113 180.7023 
1 1 1   14   10    4 o  1294.81   82.260   26.550   3.3178   26.329   4.0870   26.978   5.6818  1285.38  102.393  1290.71  142.988 -5.329224 175.8692 
1 1 1   14   10    6 o  540.506  105.503   4.7901   1.7215   5.3063   2.1724   3.9185   2.8225  566.034  125.827  497.443  159.780 68.59149 203.3768 
1 1 1   14   10    8 o  1375.32  144.422   30.723   6.1266   0.0000   0.0000   30.723   6.1266  ?   ?   1375.32  144.422 0.000000 144.4218 
1 1 1   14   10   10 o  2154.67  112.356   74.142   7.5542   0.0000   0.0000   74.142   7.5542  ?   ?   2154.67  112.356 0.000000 112.3559 
1 1 1   14   10   12 o  770.021  112.881   9.6457   2.6409   0.0000   0.0000   9.6457   2.6409  ?   ?   770.021  112.881 0.000000 112.8806 
1 1 1   14   10   14 o  1388.56  103.420   30.870   4.4644   0.0000   0.0000   30.870   4.4644  ?   ?   1388.56  103.420 0.000000 103.4201 
1 1 1   14   10   16 o  942.511   83.171   14.189   2.4294   12.007   4.0124   15.452   3.0525  844.750  157.484  979.459  100.979 -134.7087 187.0773 
1 1 1   14   10   18 o  418.576  108.955   2.9157   1.4419   3.9039   2.2548   2.2319   1.8755  483.643  140.528  383.423  130.527 100.2199 191.7958 
1 1 1   14   10   20 o  1255.77   73.346   25.088   2.8715   22.488   4.1466   27.483   3.9804  1175.36  114.105  1306.61   98.003 -131.2469 150.4149 
1 1 1   14   10   22 o  667.607  100.207   7.2960   2.0301   7.1866   2.5762   7.4752   3.2976  653.507  130.463  657.855  161.318 -4.347656 207.4706 
1 1 1   14   10   24 o  1300.58   76.600   26.941   3.1057   23.422   4.3949   30.452   4.3894  1197.91  118.731  1373.95  102.772 -176.0330 157.0326 
1 1 1   14   10   26 o  703.106  110.445   8.1367   2.3514   10.419   2.6925   0.8026   4.8268  797.328  110.843  454.735  193.504 342.5922 223.0027 
1 1 1   14   10   28 o  1954.71  112.545   61.910   6.8594   60.874   9.3409   63.123   10.105  1907.67  157.792  1934.22  168.536 -26.55127 230.8739 
1 1 1   14   10   30 o  1266.84  149.863   27.014   5.8296   27.014   5.8296   0.0000   0.0000  1266.84  149.863  ?   ?  0.000000 149.8631 
1 1 1   14   10   32 o  1662.73  153.674   46.819   7.9104   46.819   7.9104   0.0000   0.0000  1662.73  153.674  ?   ?  0.000000 153.6742 
1 1 1   14   10   34 o  891.709   99.317   13.019   2.7260   14.217   3.6270   11.464   4.1324  918.903  129.660  804.178  169.456 114.7253 213.3707 
1 1 1   14   10   36 o  278.274  112.241   0.6615   1.5073   2.3325   2.2170  -0.7750   2.0555  392.806  141.309  263.977  118.731 128.8295 184.5679 
1 1 1   14   10   38 o  917.999   89.916   13.882   2.5514   15.632   3.6630   12.232   3.5559  953.299  125.787  832.030  141.558 121.2692 189.3695 
1 1 1   14   10   40 o  1117.17  115.962   21.745   3.9974   23.087   4.5341   17.061   8.4697  1137.52  129.612  778.357  276.603 359.1610 305.4643 
1 1 1   14   10   42 o  1411.39   88.192   33.912   3.8780   27.736   5.5223   39.921   5.4472  1188.03  151.929  1485.90  118.048 -297.8774 192.3999 
1 1 1   14   10   44 f  304.891  125.681   1.2477   1.9397   0.0000   0.0000   1.2477   1.9397  ?   ?   304.891  125.681 0.000000 125.6808 
1 1 1   14   10   46 o  181.197   86.183  -1.2145   1.3362   0.0000   0.0000  -1.2145   1.3362  ?   ?   181.197   86.183 0.000000 86.18284 
1 1 1   14   10   48 o  541.852  162.809   7.8444   2.9851  -0.5782   10.734   8.5503   3.1077  353.381  179.606  564.330  165.271 -210.9486 244.0751 
1 1 1   14   10   50 o  314.068  158.090   0.8552   7.0929  -2.2845   9.6870   4.4839   10.414  ?   ?   ?   ?  0.000000      ? 
1 1 1   14   11    1 o  2737.92  178.362  121.871   15.208  121.871   15.208   0.0000   0.0000  2737.92  178.362  ?   ?  0.000000 178.3624 
1 1 1   14   11    3 f  1445.36  102.142   33.254   4.5930   34.536   6.5062   31.979   6.4847  1461.53  144.040  1404.05  149.813 57.48071 207.8256 
1 1 1   14   11    5 o  634.305  117.463   6.5980   2.2471   6.9298   3.2069   6.2780   3.1496  643.191  159.912  612.737  161.776 30.45477 227.4716 
1 1 1   14   11    7 o  2346.67  114.969   87.636   8.4479   0.0000   0.0000   87.636   8.4479  ?   ?   2346.67  114.969 0.000000 114.9689 
1 1 1   14   11    9 o  2373.97  114.876   89.761   8.5392   81.687   12.050   97.908   12.103  2234.52  173.577  2456.13  158.216 -221.6096 234.8640 
1 1 1   14   11   11 o  1111.23  100.665   19.762   3.4647   20.215   4.8720   19.298   4.9280  1112.00  143.254  1084.25  149.097 27.75366 206.7646 
1 1 1   14   11   13 o  1066.41   88.870   18.142   2.9405   19.403   5.4569   17.626   3.4907  1079.27  166.856  1046.36  108.097 32.90845 198.8114 
1 1 1   14   11   15 o  835.451   92.256   11.219   2.3732   13.188   4.6450   10.523   2.7607  881.143  174.526  803.634  112.815 77.50983 207.8139 
1 1 1   14   11   17 o  880.839  109.252   12.613   2.9486   0.0000   0.0000   12.613   2.9486  ?   ?   880.839  109.252 0.000000 109.2516 
1 1 1   14   11   19 o  1378.11   86.497   30.334   3.7136   29.133   4.6149   32.541   6.2551  1341.96  110.817  1403.60  144.383 -61.64099 182.0076 
1 1 1   14   11   21 o  1386.02   87.816   30.708   3.7915   24.577   6.3706   34.071   4.7181  1203.11  174.172  1454.23  104.306 -251.1180 203.0164 
1 1 1   14   11   23 o  979.192   93.296   15.420   2.8259   11.307   3.5637   22.389   4.6384  821.400  143.796  1169.00  128.859 -347.5981 193.0853 
1 1 1   14   11   25 o  858.865   93.874   11.898   2.4835   10.717   3.1489   13.839   4.0393  804.045  129.469  909.519  146.834 -105.4734 195.7617 
1 1 1   14   11   27 o  1446.06   88.875   33.447   4.0047   30.314   4.9910   39.110   6.7104  1365.41  117.893  1540.58  140.657 -175.1750 183.5291 
1 1 1   14   11   29 o  781.106  134.745   10.238   3.1766   10.238   3.1766   0.0000   0.0000  781.106  134.745  ?   ?  0.000000 134.7452 
1 1 1   14   11   31 o  1053.12  123.715   18.333   4.0019   20.730   4.9573   13.850   6.7806  1109.55  146.251  855.716  242.161 253.8380 282.8977 
1 1 1   14   11   33 o  1752.50  101.232   49.781   5.5315   53.715   6.6669   41.092   9.9091  1809.51  118.315  1504.34  216.610 305.1719 246.8169 
1 1 1   14   11   35 o  3719.60  112.048  226.515   13.050  229.102   18.526  223.966   18.386  3654.91  161.880  3612.42  162.545 42.49219 229.4036 
1 1 1   14   11   37 o  1486.51   93.413   36.149   4.3259   29.555   6.8279   40.570   5.5912  1277.41  175.328  1557.83  115.444 -280.4254 209.9222 
1 1 1   14   11   39 o  611.006  144.605   6.8891   2.7236   5.7715   2.9111   14.734   7.7127  551.109  159.546  765.949  264.565 -214.8401 308.9492 
1 1 1   14   11   41 o  495.150  126.366   4.5696   1.9658   3.8460   2.7046   5.3799   2.8621  446.569  156.531  516.303  160.264 -69.73389 224.0234 
1 1 1   14   11   43 o  814.399  105.291   11.908   2.6221   9.9882   3.7971   13.659   3.6254  664.859  178.596  829.040  144.933 -164.1812 230.0046 
1 1 1   14   11   45 o  440.361  202.577   5.3134   6.4224   12.237   8.9215  -2.1344   9.2529  510.405  236.204  388.825  193.443 121.5802 305.3080 
1 1 1   14   11   47 o  397.620  198.316   4.7164   9.9817   0.0000   0.0000   4.7164   9.9817  ?   ?   397.620  198.316 0.000000 198.3155 
1 1 1   14   11   49 o  324.516  162.795  -0.6045   7.1872   6.8751   10.241  -7.8635   10.089  365.946  184.904  ?   ?  0.000000 184.9037 
1 1 1   14   12    0 o  4388.21  163.021  310.261   22.400  338.293   31.743  282.456   31.614  4525.65  224.001  4106.46  247.013 419.1890 333.4543 
1 1 1   14   12    2 o  761.513  111.169   9.3891   2.5727   15.477   3.6528   3.3967   3.6241  979.034  121.786  497.515  180.428 481.5195 217.6836 
1 1 1   14   12    4 o  919.896   89.620   13.493   2.5486   11.844   3.1736   16.488   4.2772  854.360  122.103  1006.16  139.515 -151.7990 185.4011 
1 1 1   14   12    6 o  1546.88  107.889   38.158   5.1931   37.263   7.5415   38.965   7.1615  1511.58  161.849  1550.56  149.348 -38.97546 220.2276 
1 1 1   14   12    8 o  2183.30  113.365   76.028   7.7235   84.952   10.917   67.086   10.928  2291.26  153.047  2025.23  174.018 266.0245 231.7447 
1 1 1   14   12   10 o  1089.25   85.656   18.872   2.8979   21.595   3.5837   13.729   4.9258  1162.62   99.397  902.351  180.637 260.2667 206.1778 
1 1 1   14   12   12 o  1265.16   88.586   25.472   3.4872   26.608   4.1946   22.929   6.2748  1289.10  104.825  1172.14  176.432 116.9662 205.2228 
1 1 1   14   12   14 o  224.223   99.154  -0.4171   1.3718  -0.0719   1.5008  -2.1702   3.3819  249.089  106.992  322.543  147.868 -73.45392 182.5164 
1 1 1   14   12   16 o  831.549  194.084   12.004   4.9614   0.0000   0.0000   12.004   4.9614  ?   ?   831.549  194.084 0.000000 194.0838 
1 1 1   14   12   22 o  1418.90  114.598   32.498   5.0481   32.498   5.0481   0.0000   0.0000  1418.90  114.598  ?   ?  0.000000 114.5980 
1 1 1   14   12   24 o  1081.92  113.048   18.964   3.7733   18.964   3.7733   0.0000   0.0000  1081.92  113.048  ?   ?  0.000000 113.0483 
1 1 1   14   12   26 o  798.174  128.298   10.543   3.0979   10.113   3.7968   11.400   5.3583  770.062  162.565  802.609  210.576 -32.54669 266.0256 
1 1 1   14   12   28 o  1297.34   91.573   26.986   3.6961   26.231   4.3962   28.809   6.8264  1271.78  111.521  1304.19  171.305 -32.41101 204.4073 
1 1 1   14   12   30 o  1017.65  100.113   16.777   3.1488   17.657   3.6697   14.317   6.1314  1038.95  114.716  886.130  221.562 152.8214 249.4987 
1 1 1   14   12   32 o  1338.09  120.214   29.375   4.9831   34.151   6.3744   21.869   7.9907  1429.62  144.375  1080.29  242.208 349.3334 281.9734 
1 1 1   14   12   34 o  1327.23  107.071   28.770   4.4119   31.113   5.1885   22.653   8.3831  1372.23  122.027  1080.08  252.413 292.1572 280.3623 
1 1 1   14   12   36 o  1770.01   99.374   51.222   5.4854   54.633   6.4160   41.956   10.575  1816.70  113.355  1464.66  238.809 352.0448 264.3469 
1 1 1   14   12   38 o  591.223  156.587   6.4963   2.9448   7.2336   3.1621   1.6771   8.0840  621.683  161.118  517.202  233.777 104.4812 283.9203 
1 1 1   14   12   40 o  812.482  148.726   12.417   3.6443   12.417   3.6443   0.0000   0.0000  812.482  148.726  ?   ?  0.000000 148.7261 
1 1 1   14   12   42 f  1010.41  130.042   19.022   4.0188   20.791   4.3841   9.7112   10.057  1048.09  136.854  552.903  254.033 495.1879 288.5511 
1 1 1   14   12   44 o  523.356  160.112   6.0790   2.8684   5.0651   3.0085   16.212   9.5110  472.956  165.130  587.057  260.272 -114.1015 308.2356 
1 1 1   14   12   46 o  556.782  236.734   14.078   7.2136   22.012   9.8914   5.0656   10.543  585.323  262.070  424.410  210.354 160.9124 336.0504 
1 1 1   14   12   48 o  475.091  217.275   12.934   7.2411   11.618   10.097   14.327   10.390  419.493  207.548  433.779  213.858 -14.28577 298.0120 
1 1 1   14   13    1 o  1450.39   85.300   33.304   3.8569   34.042   4.7683   31.909   6.5591  1462.32  104.833  1402.80  151.742 59.52222 184.4334 
1 1 1   14   13    3 o  1507.49  103.583   36.164   4.8598   43.552   6.8740   28.782   6.8715  1646.34  134.519  1325.31  169.465 321.0253 216.3647 
1 1 1   14   13    5 f  2157.49  114.312   74.168   7.6949   76.479   10.776   71.764   10.991  2173.30  159.471  2100.85  168.502 72.45044 231.9999 
1 1 1   14   13    7 o  1759.51   88.624   49.053   4.8670   49.185   5.9111   48.774   8.5760  1756.85  107.976  1731.59  159.979 25.26758 193.0083 
1 1 1   14   13    9 o  1293.32   88.382   26.576   3.5578   25.603   4.2728   28.774   6.4244  1264.51  108.977  1325.73  157.863 -61.21814 191.8250 
1 1 1   14   13   11 f  1647.80  113.566   43.500   5.8239   53.568   8.0099   32.210   8.4828  1818.30  141.805  1382.06  201.979 436.2405 246.7878 
1 1 1   14   13   13 o  669.364  135.146   7.4621   2.7350   7.4621   2.7350   0.0000   0.0000  669.364  135.146  ?   ?  0.000000 135.1463 
1 1 1   14   13   15 o  1509.21  148.493   37.333   6.9265   37.333   6.9265   0.0000   0.0000  1509.21  148.493  ?   ?  0.000000 148.4931 
1 1 1   14   13   17 o  1120.97  145.938   20.713   5.0010   20.713   5.0010   0.0000   0.0000  1120.97  145.938  ?   ?  0.000000 145.9381 
1 1 1   14   13   19 o  1447.73  166.466   34.761   7.4089   34.761   7.4089   0.0000   0.0000  1447.73  166.466  ?   ?  0.000000 166.4662 
1 1 1   14   13   21 o  1037.27  134.362   17.614   4.2615   18.881   6.0273   16.348   6.0259  1053.37  189.714  972.712  204.343 80.65784 278.8321 
1 1 1   14   13   23 o  662.601  174.022   7.4920   3.6570   0.2067   5.1941   14.653   5.1498  461.683  198.692  926.729  183.957 -465.0462 270.7741 
1 1 1   14   13   25 o  1579.81  116.212   40.258   5.7084   40.258   5.7084   0.0000   0.0000  1579.81  116.212  ?   ?  0.000000 116.2119 
1 1 1   14   13   27 o  420.391  139.561   2.7660   2.1447   1.6425   2.3802   7.6152   4.9450  375.644  144.179  665.851  211.238 -290.2075 255.7518 
1 1 1   14   13   29 o  575.169  138.423   5.6107   2.4629   5.7449   2.7731   5.1097   5.3586  580.078  151.150  586.321  218.240 -6.242859 265.4713 
1 1 1   14   13   31 o  860.969  113.982   12.169   2.9973   13.537   3.3941   7.3227   6.3882  905.574  122.869  663.694  239.725 241.8797 269.3789 
1 1 1   14   13   33 o  1911.70  103.000   59.136   6.1428   58.160   7.2882   61.532   11.415  1881.94  124.381  1872.01  197.723 9.932861 233.5922 
1 1 1   14   13   35 o  1677.26   99.465   45.819   5.2005   46.006   5.9794   45.238   10.538  1669.87  115.057  1554.09  222.934 115.7816 250.8741 
1 1 1   14   13   37 o  595.239  224.679   6.7343   5.7196  -0.5326   7.9770   14.423   8.2052  494.334  226.799  788.254  272.847 -293.9200 354.8002 
1 1 1   14   13   39 o  600.860  170.146   7.0956   3.3463   7.0956   3.3463   0.0000   0.0000  600.860  170.146  ?   ?  0.000000 170.1457 
1 1 1   14   13   41 o  404.849  148.937   2.9380   2.4821   2.9370   2.5863   2.9490   8.8339  406.213  151.535  493.780  230.713 -87.56760 276.0277 
1 1 1   14   13   43 o  125.044   63.331  -4.2334   1.2547  -4.6001   1.2673   13.830   8.8955  122.136   62.040  599.890  259.090 -477.7532 266.4145 
1 1 1   14   13   45 o  592.963  239.386   13.422   6.8630   17.221   9.3142   8.9083   10.151  583.025  258.069  479.068  230.429 103.9579 345.9730 
1 1 1   14   13   47 o  433.959  214.253   9.4202   10.560   0.0000   0.0000   9.4202   10.560  ?   ?   433.959  214.253 0.000000 214.2528 
1 1 1   14   14    0 o  1046.85  165.216   18.040   5.2360   0.0000   0.0000   18.040   5.2360  ?   ?   1046.85  165.216 0.000000 165.2159 
1 1 1   14   14    2 o  1818.51  153.679   53.445   8.6689   53.445   8.6689   0.0000   0.0000  1818.51  153.679  ?   ?  0.000000 153.6794 
1 1 1   14   14    4 o  1631.42   88.427   42.158   4.5003   44.164   5.4575   37.896   7.9552  1665.96  105.159  1522.72  169.734 143.2426 199.6701 
1 1 1   14   14    6 o  2306.76  117.200   84.889   8.4376   84.889   8.4376   0.0000   0.0000  2306.76  117.200  ?   ?  0.000000 117.1997 
1 1 1   14   14    8 o  1656.05  108.078   43.765   5.5737   43.765   5.5737   0.0000   0.0000  1656.05  108.078  ?   ?  0.000000 108.0783 
1 1 1   14   14   10 f  1281.96  110.396   26.356   4.3882   26.356   4.3882   0.0000   0.0000  1281.96  110.396  ?   ?  0.000000 110.3965 
1 1 1   14   14   12 o  994.972  116.046   16.014   3.5475   16.014   3.5475   0.0000   0.0000  994.972  116.046  ?   ?  0.000000 116.0456 
1 1 1   14   14   14 o  455.345  131.124   3.4114   1.9710   2.9450   2.2228   5.1272   4.2633  433.921  141.985  573.457  196.777 -139.5360 242.6543 
1 1 1   14   14   16 o  1130.44   94.645   20.418   3.3193   22.071   3.9313   16.316   6.1946  1172.06  108.347  972.228  209.652 199.8275 235.9934 
1 1 1   14   14   18 o  522.916  138.755   4.5586   2.3095   4.0570   2.7004   5.9249   4.4568  500.305  155.733  606.901  201.168 -106.5958 254.4041 
1 1 1   14   14   20 o  278.547  116.968   0.2099   1.7257   0.5499   1.9006  -1.3864   4.1179  304.776  124.877  380.229  169.750 -75.45337 210.7350 
1 1 1   14   14   22 o  1146.41  195.338   22.283   6.7607   22.283   6.7607   0.0000   0.0000  1146.41  195.338  ?   ?  0.000000 195.3383 
1 1 1   14   14   24 o  327.800  149.379  -1.9233   3.3841   0.5524   5.0206  -3.9847   4.5813  462.721  197.138  355.605  166.150 107.1160 257.8159 
1 1 1   14   14   26 o  858.361  129.649   12.135   3.3760   12.135   3.3760   0.0000   0.0000  858.361  129.649  ?   ?  0.000000 129.6488 
1 1 1   14   14   28 o  1227.18  118.205   24.454   4.4860   24.454   4.4860   0.0000   0.0000  1227.18  118.205  ?   ?  0.000000 118.2052 
1 1 1   14   14   30 o  1235.34  106.976   24.670   4.0972   27.422   4.8011   17.296   7.8597  1297.97  119.471  964.976  255.930 332.9968 282.4421 
1 1 1   14   14   32 o  664.794  142.347   7.5300   2.8738   5.4550   3.1704   17.086   6.8039  563.812  167.421  964.599  228.736 -400.7875 283.4601 
1 1 1   14   14   34 o  1750.41  102.637   49.828   5.6009   53.902   6.5239   38.410   10.923  1811.83  115.596  1406.92  257.426 404.9099 282.1888 
1 1 1   14   14   36 o  695.050  143.026   8.5284   3.0090   9.2373   3.2111   3.4238   8.6165  721.869  147.057  573.503  251.232 148.3654 291.1071 
1 1 1   14   14   38 o  566.017  150.707   5.9502   2.7185   6.1868   2.8449   3.4645   9.2224  575.213  154.621  551.705  249.505 23.50726 293.5307 
1 1 1   14   14   40 o  546.655  160.825   5.8851   2.9369   6.8843   3.0900  -3.4505   9.4450  590.430  162.169  454.781  219.603 135.6494 272.9917 
1 1 1   14   14   42 o  440.185  157.702   3.8090   2.7585   4.7002   2.8815  -5.9619   9.5412  478.904  161.795  414.848  204.603 64.05655 260.8447 
1 1 1   14   14   44 o  532.016  248.798   11.414   10.311   0.0000   0.0000   11.414   10.311  ?   ?   532.016  248.798 0.000000 248.7977 
1 1 1   14   14   46 o  408.344  154.834   3.7289   2.7241   3.9102   2.8193   1.1796   10.573  414.712  157.451  412.233  205.363 2.479523 258.7758 
1 1 1   14   15    1 o  1340.68  169.483   29.432   6.9560   29.432   6.9560   0.0000   0.0000  1340.68  169.483  ?   ?  0.000000 169.4829 
1 1 1   14   15    5 o  341.243  151.887  -1.1125   3.2702  -1.1125   3.2702   0.0000   0.0000  341.243  151.887  ?   ?  0.000000 151.8865 
1 1 1   14   15    7 o  321.691  125.440   1.0327   1.8233   0.9893   2.0486   1.1984   3.9984  333.122  132.027  439.116  180.661 -105.9945 223.7626 
1 1 1   14   15    9 o  1403.53   92.921   31.326   4.0606   32.496   4.8723   28.667   7.3474  1425.24  110.028  1313.12  183.725 112.1213 214.1524 
1 1 1   14   15   11 o  502.094  129.969   4.1870   2.0593   5.2335   2.3212   0.3201   4.4620  560.456  134.071  436.246  185.852 124.2099 229.1638 
1 1 1   14   15   13 o  610.196  122.475   6.1494   2.2588   6.2855   2.5906   5.7176   4.6129  614.124  138.072  603.583  204.708 10.54089 246.9194 
1 1 1   14   15   15 o  1151.74   97.488   21.170   3.4828   24.060   4.0955   13.623   6.6194  1225.86  107.791  885.385  234.895 340.4743 258.4463 
1 1 1   14   15   17 o  1533.01   94.208   37.348   4.5003   38.367   5.4316   35.118   8.0372  1548.94  112.764  1458.16  179.840 90.78174 212.2693 
1 1 1   14   15   19 o  847.111  124.502   11.690   3.2039   11.672   3.9777   11.723   5.4061  837.457  157.470  826.546  208.809 10.91101 261.5305 
1 1 1   14   15   21 o  505.784  146.296   4.2179   2.4486   4.8205   2.8466   2.5034   4.8016  540.054  158.179  506.430  201.681 33.62372 256.3118 
1 1 1   14   15   23 o  735.472  123.221   8.8821   2.7373   9.7859   3.1065   5.7427   5.7898  769.969  133.698  625.167  227.850 144.8015 264.1794 
1 1 1   14   15   25 o  513.029  184.121   3.8270   3.7617   8.2927   5.7127   0.4085   4.9982  701.187  227.532  458.743  196.100 242.4443 300.3763 
1 1 1   14   15   27 o  968.768  232.242   16.688   6.9535   16.688   6.9535   0.0000   0.0000  968.768  232.242  ?   ?  0.000000 232.2421 
1 1 1   14   15   29 o  1173.21  104.712   22.181   3.8063   19.616   4.4117   29.649   7.5285  1093.72  131.452  1320.60  187.311 -226.8864 228.8338 
1 1 1   14   15   31 o  1904.81  102.302   58.358   6.0794   58.267   7.1978   58.584   11.355  1892.72  122.102  1841.82  200.114 50.89990 234.4237 
1 1 1   14   15   33 f  1085.04  111.933   19.320   3.7483   16.256   4.1659   32.349   8.5898  982.047  139.387  1337.94  212.110 -355.8946 253.8100 
1 1 1   14   15   35 f  973.250  122.760   15.977   3.6579   17.985   3.9648   4.4913   9.4819  1031.82  125.285  613.588  266.245 418.2349 294.2497 
1 1 1   14   15   37 o  557.043  168.869   5.8103   3.2010   5.8103   3.2010   0.0000   0.0000  557.043  168.869  ?   ?  0.000000 168.8689 
1 1 1   14   15   39 o  208.095   98.816  -1.8496   1.7430  -1.7548   1.7750  -4.4050   9.2159  212.762  100.647  454.423  218.813 -241.6603 240.8506 
1 1 1   14   15   41 o  434.520  152.959   3.5407   2.5842   3.9542   2.6873  -1.5379   9.4176  453.652  156.196  461.067  221.813 -7.415344 271.2903 
1 1 1   14   15   43 o  646.348  247.249   13.067   6.9851   13.307   8.9071   12.684   11.258  606.332  260.552  570.840  264.582 35.49213 371.3367 
1 1 1   14   15   45 o  511.106  162.507   5.8991   2.9254   6.7087   3.0359  -4.6120   10.939  544.384  164.327  405.531  203.063 138.8534 261.2245 
1 1 1   14   16    0 o  2327.64  171.085   87.988   12.382   87.988   12.382   0.0000   0.0000  2327.64  171.085  ?   ?  0.000000 171.0845 
1 1 1   14   16    2 o  1839.09  113.369   53.915   6.4967   59.157   9.1903   48.680   9.1851  1912.41  154.802  1727.01  172.147 185.3961 231.5129 
1 1 1   14   16    4 o  339.294  144.276   0.1044   2.6798  -3.5034   3.6529   4.3087   3.9433  315.453  147.702  540.180  189.025 -224.7268 239.8878 
1 1 1   14   16    6 o  1282.60  119.781   26.405   4.7549   32.987   6.6024   19.312   6.8535  1425.54  150.171  1066.14  212.753 359.4005 260.4138 
1 1 1   14   16    8 o  408.043  172.433   0.4034   3.7888   0.4034   3.7888   0.0000   0.0000  408.043  172.433  ?   ?  0.000000 172.4329 
1 1 1   14   16   10 o  385.219  155.806   1.1029   2.9131  -0.8214   3.9613   3.3692   4.2989  386.397  169.779  517.565  194.915 -131.1682 258.4893 
1 1 1   14   16   12 o  641.043  127.177   6.7715   2.4627   7.2613   2.8218   5.2061   5.0445  661.680  140.533  597.932  213.362 63.74829 255.4856 
1 1 1   14   16   14 f  1181.87   95.504   22.229   3.5041   18.850   4.1520   30.595   6.5327  1081.14  124.949  1371.86  154.784 -290.7148 198.9226 
1 1 1   14   16   16 o  477.552  134.617   3.7423   2.0996   4.7116   2.3409  -0.2452   4.7481  533.080  138.858  437.939  189.217 95.14069 234.7008 
1 1 1   14   16   18 o  1234.75   96.731   24.272   3.7100   25.049   4.4101   22.392   6.8622  1250.54  113.873  1156.25  196.572 94.28833 227.1736 
1 1 1   14   16   20 o  703.240  146.024   8.2259   3.1103   10.314   3.6809   3.0139   5.8159  787.217  154.844  555.408  221.717 231.8084 270.4355 
1 1 1   14   16   22 o  1408.73  115.882   31.841   5.0663   31.841   5.0663   0.0000   0.0000  1408.73  115.882  ?   ?  0.000000 115.8825 
1 1 1   14   16   24 f  507.621  140.378   4.2805   2.3062   2.9453   2.5260   10.967   5.6529  442.550  151.476  795.676  219.671 -353.1256 266.8341 
1 1 1   14   16   26 o  467.662  143.810   3.5522   2.3107   4.9772   2.5452  -3.1302   5.5114  545.114  146.129  413.841  189.371 131.2739 239.1966 
1 1 1   14   16   28 o  554.932  198.457   4.6088   4.3666   7.4256   6.5532   2.3595   5.8560  682.722  243.230  533.932  219.033 148.7909 327.3167 
1 1 1   14   16   30 o  1429.91  150.815   33.878   6.6507   38.193   9.2549   29.270   9.5638  1487.02  204.153  1270.32  249.339 216.6978 322.2546 
1 1 1   14   16   32 o  493.503  163.354   4.0020   2.9391   4.9316   3.1653  -1.8132   7.9169  538.288  168.781  509.399  230.699 28.88895 285.8482 
1 1 1   14   16   34 o  1289.25  141.996   28.301   5.6373   35.925   6.7048   9.9131   10.413  1447.34  150.129  725.434  294.163 721.9020 330.2584 
1 1 1   14   16   36 o  1086.52  160.264   21.149   5.2887   21.149   5.2887   0.0000   0.0000  1086.52  160.264  ?   ?  0.000000 160.2639 
1 1 1   14   16   38 o  447.995  155.602   3.5262   2.6697   2.5456   2.7741   15.826   9.8250  408.202  155.895  763.110  292.919 -354.9075 331.8199 
1 1 1   14   16   40 o  643.697  149.880   7.8579   2.9645   6.6571   3.1136   19.506   9.6974  581.604  163.925  795.389  294.075 -213.7846 336.6774 
1 1 1   14   16   42 o  397.000  189.409  -2.2155   6.5579   7.5761   8.3644 -17.8357   10.565  547.774  243.408  375.358  189.436 172.4167 308.4376 
1 1 1   14   16   44 o  309.673  130.681   1.0010   2.1712   1.3672   2.2138  -8.2442   11.123  324.627  134.087  407.505  204.157 -82.87839 244.2532 
1 1 1   14   17    1 o  2188.82  117.838   76.290   8.0465   77.498   11.366   75.075   11.393  2187.78  167.178  2151.72  170.496 36.06201 238.7831 
1 1 1   14   17    3 o  985.888  132.141   15.749   3.9766   13.376   5.4963   18.355   5.7605  889.426  201.963  1051.67  181.488 -162.2436 271.5275 
1 1 1   14   17    5 o  564.455  200.154   4.6023   4.4326   0.0000   0.0000   4.6023   4.4326  ?   ?   564.455  200.154 0.000000 200.1540 
1 1 1   14   17    7 o  1371.11  121.382   30.086   5.1574   30.124   7.3040   30.049   7.2834  1356.10  176.172  1354.48  175.880 1.616821 248.9383 
1 1 1   14   17    9 o  780.935  157.411   10.106   3.7162   8.1422   5.1237   12.286   5.3981  702.287  213.814  852.497  204.786 -150.2094 296.0637 
1 1 1   14   17   11 o  533.019  178.844   4.3414   3.5205   5.4625   5.0485   3.2803   4.9119  608.773  213.833  537.072  206.868 71.70087 297.5214 
1 1 1   14   17   13 o  1333.02  123.704   28.457   5.1046   22.972   7.1763   34.075   7.2623  1173.69  202.589  1448.60  162.936 -274.9089 259.9816 
1 1 1   14   17   15 o  616.968  180.128   6.2778   3.6967   4.6771   5.3844   7.7051   5.0843  591.965  219.076  685.945  213.719 -93.97925 306.0555 
1 1 1   14   17   17 o  510.185  139.963   4.2902   2.3033  -0.0576   2.6024   20.009   4.9483  329.867  141.268  1109.32  146.003 -779.4528 203.1586 
1 1 1   14   17   19 o  1213.46  102.475   23.487   3.8573   25.553   4.5233   17.981   7.3851  1262.98  115.662  1021.52  235.679 241.4552 262.5306 
1 1 1   14   17   21 o  871.703  129.508   12.386   3.4275   12.160   4.1564   12.866   6.0592  855.008  161.161  864.726  222.491 -9.718018 274.7276 
1 1 1   14   17   23 o  601.326  142.395   6.0364   2.6397   5.0604   2.9277   10.279   6.1038  552.881  159.983  775.770  232.743 -222.8892 282.4250 
1 1 1   14   17   25 o  395.243  145.086   2.0550   2.3536   1.1283   2.5521   7.3258   6.0865  366.274  146.642  679.640  235.009 -313.3656 277.0075 
1 1 1   14   17   27 o  658.731  150.258   7.3017   3.0307   7.1264   3.3605   8.0658   7.0152  648.468  165.074  710.839  251.828 -62.37115 301.1089 
1 1 1   14   17   29 o  772.879  145.408   10.021   3.3898   9.4391   3.7427   12.676   7.9973  743.600  165.048  837.454  268.949 -93.85358 315.5540 
1 1 1   14   17   31 o  1220.64  267.195   28.383   9.9292   0.0000   0.0000   28.383   9.9292  ?   ?   1220.64  267.195 0.000000 267.1949 
1 1 1   14   17   33 o  432.318  194.944  -1.2609   5.5826   10.404   7.0141 -21.4208   9.2209  734.109  252.371  372.566  186.538 361.5422 313.8277 
1 1 1   14   17   35 o  318.764  135.905   0.3385   2.3893  -0.1770   2.4793   7.0515   8.9473  307.918  134.829  644.083  268.086 -336.1646 300.0814 
1 1 1   14   17   37 o  449.172  157.436   3.4449   2.7360   3.2560   2.8530   5.6062   9.6507  442.947  160.172  602.612  264.885 -159.6652 309.5466 
1 1 1   14   17   39 o  298.577  129.978   0.1185   2.2745   1.3394   2.3338 -22.9577   10.147  344.118  139.361  365.277  184.506 -21.15869 231.2226 
1 1 1   14   17   41 o  1026.76  247.990   25.511   7.8832   31.270   10.314   17.419   12.226  1032.58  300.705  689.388  300.696 343.1873 425.2548 
1 1 1   14   17   43 o  399.753  152.555   2.8643   2.6553   2.8643   2.6553   0.0000   0.0000  399.753  152.555  ?   ?  0.000000 152.5555 
1 1 1   14   18    0 o  343.308  148.487  -0.3075   2.9303  -5.8126   3.9794   6.2129   4.3309  300.155  144.349  623.024  197.691 -322.8694 244.7822 
1 1 1   14   18    2 o  459.287  190.294   1.0420   4.4786   0.0000   0.0000   1.0420   4.4786  ?   ?   459.287  190.294 0.000000 190.2939 
1 1 1   14   18    4 o  621.938  173.350   6.3891   3.5022   4.8863   4.8295   8.0559   5.0862  586.251  208.812  700.933  212.947 -114.6820 298.2431 
1 1 1   14   18    6 o  566.778  175.946   5.1466   3.4495   5.8349   4.7317   4.3659   5.0394  616.607  207.336  575.327  212.133 41.27997 296.6288 
1 1 1   14   18    8 o  450.200  187.987   0.7828   4.4195   0.7828   4.4195   0.0000   0.0000  450.200  187.987  ?   ?  0.000000 187.9872 
1 1 1   14   18   10 o  1017.66  144.766   16.803   4.4830   23.475   6.4216   10.460   6.2613  1197.52  176.551  792.408  235.273 405.1080 294.1487 
1 1 1   14   18   12 o  832.161  167.741   11.473   4.2199   19.412   6.0183   3.7960   5.9185  1084.46  183.798  584.634  226.549 499.8240 291.7298 
1 1 1   14   18   14 o  577.730  221.245   3.9228   5.5969   3.9228   5.5969   0.0000   0.0000  577.730  221.245  ?   ?  0.000000 221.2448 
1 1 1   14   18   16 o  359.164  169.662  -5.4865   5.0117  -5.4865   5.0117   0.0000   0.0000  359.164  169.662  ?   ?  0.000000 169.6622 
1 1 1   14   18   18 o  668.868  191.728   7.4492   4.2228   10.285   6.2357   5.0472   5.7390  782.572  235.348  611.612  226.209 170.9608 326.4336 
1 1 1   14   18   20 o  718.626  166.647   8.6453   3.6770   8.6453   3.6770   0.0000   0.0000  718.626  166.647  ?   ?  0.000000 166.6474 
1 1 1   14   18   22 o  405.640  148.608   2.1567   2.4675   3.6741   2.6892  -5.9243   6.2059  483.337  156.035  407.698  191.410 75.63885 246.9512 
1 1 1   14   18   24 o  1790.59  122.876   51.376   6.8477   59.319   9.0320   40.637   10.501  1913.40  152.004  1550.74  222.654 362.6575 269.5925 
1 1 1   14   18   26 o  1181.89  116.554   22.506   4.2572   21.881   4.8796   24.499   8.7114  1158.96  137.120  1183.11  243.274 -24.15076 279.2567 
1 1 1   14   18   28 o  440.121  156.251   2.8130   2.7021   2.8130   2.7021   0.0000   0.0000  440.121  156.251  ?   ?  0.000000 156.2512 
1 1 1   14   18   30 o  1108.51  123.927   20.178   4.2279   21.540   4.7529   15.015   9.2539  1140.57  135.750  883.212  289.736 257.3550 319.9606 
1 1 1   14   18   32 o  963.740  122.270   15.442   3.6067   16.811   3.8863   6.9370   9.6844  1004.17  126.399  683.692  281.210 320.4818 308.3108 
1 1 1   14   18   34 o  590.792  249.559   4.3482   7.9308   4.3482   7.9308   0.0000   0.0000  590.792  249.559  ?   ?  0.000000 249.5587 
1 1 1   14   18   36 o  478.762  210.447   1.1987   6.0917   13.719   7.6402 -20.6514   10.093  787.757  263.468  389.646  195.100 398.1116 327.8411 
1 1 1   14   18   38 f  802.173  152.220   11.715   3.6836   11.715   3.6836   0.0000   0.0000  802.173  152.220  ?   ?  0.000000 152.2204 
1 1 1   14   18   40 o  436.620  210.916  -5.2498   8.7329  -5.2498   8.7329   0.0000   0.0000  436.620  210.916  ?   ?  0.000000 210.9157 
1 1 1   14   18   42 o  583.862  169.184   6.9754   3.2721   6.9754   3.2721   0.0000   0.0000  583.862  169.184  ?   ?  0.000000 169.1835 
1 1 1   14   19    1 o  392.811  160.136   0.9647   3.1057  -1.0113   4.3943   2.9368   4.3899  407.198  178.870  511.450  195.923 -104.2521 265.2928 
1 1 1   14   19    3 o  493.823  175.503   3.3925   3.4098   4.0909   4.7112   2.6241   4.9415  558.618  205.238  522.185  205.654 36.43280 290.5448 
1 1 1   14   19    5 o  622.007  214.135   5.7563   5.0506   5.7563   5.0506   0.0000   0.0000  622.007  214.135  ?   ?  0.000000 214.1346 
1 1 1   14   19    7 o  347.781  153.785  -1.0011   3.2994   2.8070   4.5818  -5.1027   4.7550  514.289  199.320  352.841  166.245 161.4485 259.5489 
1 1 1   14   19    9 o  1268.39  133.905   25.786   5.2378   24.147   7.5296   27.323   7.2909  1207.99  206.481  1292.94  185.394 -84.95215 277.4984 
1 1 1   14   19   11 o  382.800  175.362  -3.1596   4.7443   0.0000   0.0000  -3.1596   4.7443  ?   ?   382.800  175.362 0.000000 175.3618 
1 1 1   14   19   13 o  585.057  195.391   5.2570   4.2019   8.6798   6.0072   1.9780   5.8796  732.383  232.875  538.391  220.007 193.9920 320.3650 
1 1 1   14   19   15 o  821.539  228.555   11.373   6.0940   0.0000   0.0000   11.373   6.0940  ?   ?   821.539  228.555 0.000000 228.5547 
1 1 1   14   19   17 o  950.862  237.639   15.428   7.0557   0.0000   0.0000   15.428   7.0557  ?   ?   950.862  237.639 0.000000 237.6388 
1 1 1   14   19   19 o  1331.67  208.133   29.501   8.3946   0.0000   0.0000   29.501   8.3946  ?   ?   1331.67  208.133 0.000000 208.1335 
1 1 1   14   19   21 o  1079.14  166.454   19.141   5.4437   18.990   8.0248   19.270   7.4091  1049.61  248.091  1063.08  229.316 -13.47375 337.8382 
1 1 1   14   19   23 o  593.617  156.429   5.8739   2.9485   6.1634   3.2343   4.4494   7.1743  607.950  165.470  631.358  248.069 -23.40808 298.1925 
1 1 1   14   19   25 o  1154.14  111.427   21.393   3.9768   17.413   4.5353   34.635   8.2719  1030.92  144.464  1442.91  187.515 -411.9918 236.7103 
1 1 1   14   19   27 o  512.539  159.719   4.3002   2.8395   3.5807   3.0170   9.8790   8.4010  483.145  165.545  771.598  275.343 -288.4524 321.2767 
1 1 1   14   19   29 o  782.124  148.225   10.344   3.4972   10.344   3.4972   0.0000   0.0000  782.124  148.225  ?   ?  0.000000 148.2253 
1 1 1   14   19   31 o  322.388  137.707   0.1704   2.4614  -0.2499   2.5499   5.9073   9.4209  314.766  137.310  668.697  276.438 -353.9311 308.6618 
1 1 1   14   19   33 o  726.474  154.189   9.2409   3.3989   9.2409   3.3989   0.0000   0.0000  726.474  154.189  ?   ?  0.000000 154.1888 
1 1 1   14   19   35 o  452.716  155.482   3.4034   2.6619   3.4034   2.6619   0.0000   0.0000  452.716  155.482  ?   ?  0.000000 155.4815 
1 1 1   14   19   37 o  770.910  290.415   14.341   9.5448   14.341   9.5448   0.0000   0.0000  770.910  290.415  ?   ?  0.000000 290.4148 
1 1 1   14   19   39 o  429.945  199.904  -1.7134   6.5040  -9.8604   9.3215   6.0158   9.0794  423.205  207.425  588.449  257.833 -165.2445 330.9121 
1 1 1   14   19   41 o  419.852  154.435   3.0484   2.6686   2.5659   2.7438   11.494   11.479  401.556  154.629  636.498  283.843 -234.9423 323.2292 
1 1 1   14   20    0 o  980.381  148.244   15.576   4.4087   16.746   6.1567   14.345   6.3161  1004.82  202.671  925.736  220.961 79.08435 299.8323 
1 1 1   14   20    2 o  450.772  176.038   2.0011   3.5949   5.0006   5.0079  -1.1878   5.1636  597.258  212.645  441.250  193.861 156.0080 287.7494 
1 1 1   14   20    4 o  491.794  180.566   3.1178   3.6457   3.0115   5.0615   3.2324   5.2556  538.222  209.243  551.105  213.506 -12.88312 298.9440 
1 1 1   14   20    6 o  443.048  173.260   1.9174   3.4860   4.5242   5.1575  -0.2751   4.7300  585.850  214.817  440.281  189.544 145.5687 286.4843 
1 1 1   14   20    8 o  811.297  224.834   10.976   5.9092   0.0000   0.0000   10.976   5.9092  ?   ?   811.297  224.834 0.000000 224.8336 
1 1 1   14   20   10 o  540.030  213.541   2.7417   5.3478   0.0000   0.0000   2.7417   5.3478  ?   ?   540.030  213.541 0.000000 213.5408 
1 1 1   14   20   12 o  573.184  220.374   3.7109   5.5667   0.0000   0.0000   3.7109   5.5667  ?   ?   573.184  220.374 0.000000 220.3738 
1 1 1   14   20   16 o  1010.00  244.536   17.351   7.6510   17.351   7.6510   0.0000   0.0000  1010.00  244.536  ?   ?  0.000000 244.5361 
1 1 1   14   20   18 o  800.105  198.614   10.747   4.9528   24.385   7.4605  -0.0000   6.6226  1212.39  203.749  523.289  224.762 689.1010 303.3673 
1 1 1   14   20   20 o  837.373  249.189   11.821   7.0180   0.0000   0.0000   11.821   7.0180  ?   ?   837.373  249.189 0.000000 249.1886 
1 1 1   14   20   22 o  857.921  208.008   12.505   5.5300   6.7916   7.7232   18.517   7.9218  702.258  261.883  1035.15  247.711 -332.8923 360.4767 
1 1 1   14   20   24 o  720.329  230.150   8.6431   5.8621  -1.7178   8.1712   19.630   8.4146  542.136  240.757  1055.62  256.985 -513.4804 352.1436 
1 1 1   14   20   26 o  692.595  233.201   7.9475   5.9860   9.5362   8.3859   6.2971   8.5474  764.863  274.865  692.317  271.146 72.54578 386.0974 
1 1 1   14   20   28 o  752.239  155.929   9.6218   3.5522   9.6218   3.5522   0.0000   0.0000  752.239  155.929  ?   ?  0.000000 155.9286 
1 1 1   14   20   30 o  1110.35  160.320   20.941   5.4125   20.941   5.4125   0.0000   0.0000  1110.35  160.320  ?   ?  0.000000 160.3199 
1 1 1   14   20   32 o  764.259  166.281   10.265   3.8661   10.265   3.8661   0.0000   0.0000  764.259  166.281  ?   ?  0.000000 166.2810 
1 1 1   14   20   34 o  481.143  163.418   3.8648   2.9398   4.5345   3.0554  -4.4802   10.786  512.449  166.407  536.697  252.092 -24.24872 302.0626 
1 1 1   14   20   36 o  474.729  161.459   3.8432   2.8697   4.1101   3.0163   1.2950   9.3202  488.385  165.533  558.271  251.799 -69.88672 301.3369 
1 1 1   14   20   38 o  563.556  159.165   5.8563   2.9322   6.1936   3.0991   2.9744   9.0581  577.416  163.824  559.584  250.650 17.83203 299.4391 
1 1 1   14   20   40 o  513.989  211.725   4.4101   5.4999   4.9370   6.7747   3.3914   9.4195  540.966  229.699  547.803  249.473 -6.837646 339.1139 
1 1 1   14   21    1 o  706.826  184.562   8.2618   4.1290   4.9927   5.8315   11.549   5.8471  619.436  228.226  832.809  220.680 -213.3730 317.4695 
1 1 1   14   21    3 o  644.863  227.281   5.9550   5.7072   0.0000   0.0000   5.9550   5.7072  ?   ?   644.863  227.281 0.000000 227.2809 
1 1 1   14   21    5 o  620.453  227.818   5.0641   5.8035   0.0000   0.0000   5.0641   5.8035  ?   ?   620.453  227.818 0.000000 227.8177 
1 1 1   14   21    7 o  504.382  211.059   0.8879   5.5877   0.0000   0.0000   0.8879   5.5877  ?   ?   504.382  211.059 0.000000 211.0591 
1 1 1   14   21    9 o  549.096  220.695   2.4281   5.8051   0.0000   0.0000   2.4281   5.8051  ?   ?   549.096  220.695 0.000000 220.6947 
1 1 1   14   21   11 o  550.555  200.805   4.0187   4.4981   2.5702   6.7702   5.1634   6.0185  585.193  237.230  628.044  231.779 -42.85083 331.6620 
1 1 1   14   21   13 o  436.773  196.109  -2.4200   5.5802   0.0000   0.0000  -2.4200   5.5802  ?   ?   436.773  196.109 0.000000 196.1086 
1 1 1   14   21   15 o  543.830  202.638   3.7135   4.6222  -2.4262   6.7380   9.1708   6.3526  486.338  217.128  754.218  239.439 -267.8802 323.2269 
1 1 1   14   21   17 o  666.204  214.396   7.0531   5.0800   7.6533   7.5861   6.5652   6.8402  728.645  261.474  684.403  247.929 44.24164 360.3297 
1 1 1   14   21   19 o  891.352  199.876   13.339   5.4410   9.7415   7.9128   16.566   7.4937  786.909  268.104  985.181  244.155 -198.2727 362.6173 
1 1 1   14   21   21 o  665.327  263.488   4.7183   8.1536   4.7183   8.1536   0.0000   0.0000  665.327  263.488  ?   ?  0.000000 263.4879 
1 1 1   14   21   25 o  745.274  279.096   8.3992   8.7898   8.3992   8.7898   0.0000   0.0000  745.274  279.096  ?   ?  0.000000 279.0957 
1 1 1   14   21   27 o  792.221  295.551   10.415   9.8386   10.415   9.8386   0.0000   0.0000  792.221  295.551  ?   ?  0.000000 295.5514 
1 1 1   14   21   29 o  486.798  215.914  -0.7876   6.5522  -3.2299   9.0538   1.8981   9.4941  531.283  242.967  615.528  266.752 -84.24493 360.8175 
1 1 1   14   21   31 o  667.562  180.820   7.8871   3.8732   7.8871   3.8732   0.0000   0.0000  667.562  180.820  ?   ?  0.000000 180.8202 
1 1 1   14   21   33 o  600.047  163.558   6.3539   3.1573   6.0736   3.3045   9.2901   10.696  586.347  170.053  732.115  297.677 -145.7673 342.8255 
1 1 1   14   21   35 o  1056.47  138.204   19.042   4.4623   22.205   4.9097   4.0224   10.699  1140.37  140.465  631.330  278.161 509.0403 311.6153 
1 1 1   14   21   37 o  506.126  161.211   4.5534   2.8779   4.8925   3.0166   1.1185   9.6011  522.186  164.915  557.196  253.021 -35.00995 302.0210 
1 1 1   14   22    0 o  537.864  219.093   1.9067   5.8076   0.0000   0.0000   1.9067   5.8076  ?   ?   537.864  219.093 0.000000 219.0929 
1 1 1   14   22    2 o  1344.97  207.203   29.566   8.4460   0.0000   0.0000   29.566   8.4460  ?   ?   1344.97  207.203 0.000000 207.2029 
1 1 1   14   22    4 o  495.484  195.778   2.2251   4.4919  -9.2429   6.9354   10.512   5.8956  405.343  193.775  798.093  225.788 -392.7499 297.5388 
1 1 1   14   22    6 o  559.958  225.023   2.4930   6.0340   0.0000   0.0000   2.4930   6.0340  ?   ?   559.958  225.023 0.000000 225.0229 
1 1 1   14   22    8 o  840.022  242.149   11.667   6.7187   0.0000   0.0000   11.667   6.7187  ?   ?   840.022  242.149 0.000000 242.1489 
1 1 1   14   22   10 o  918.442  271.634   14.003   8.3585   14.003   8.3585   0.0000   0.0000  918.442  271.634  ?   ?  0.000000 271.6336 
1 1 1   14   22   12 o  808.574  215.722   10.881   5.5628   3.3357   8.2012   17.310   7.5706  647.322  261.560  1014.78  241.708 -367.4610 356.1415 
1 1 1   14   22   14 o  536.315  209.987   2.8719   5.1252   2.2372   7.9138   3.3305   6.7265  615.200  253.759  601.333  238.948 13.86713 348.5539 
1 1 1   14   22   16 o  1030.59  276.185   18.138   9.0933   18.138   9.0933   0.0000   0.0000  1030.59  276.185  ?   ?  0.000000 276.1848 
1 1 1   14   22   18 o  489.109  221.696  -3.6524   7.3287  -3.6524   7.3287   0.0000   0.0000  489.109  221.696  ?   ?  0.000000 221.6961 
1 1 1   14   22   20 o  901.251  288.864   13.766   9.2290   13.766   9.2290   0.0000   0.0000  901.251  288.864  ?   ?  0.000000 288.8639 
1 1 1   14   22   22 o  350.545  170.461  -9.8738   5.9473   0.6765   8.0058 -22.8655   8.8839  577.085  247.474  370.085  184.968 207.0000 308.9610 
1 1 1   14   22   24 o  945.489  307.414   16.120   10.426   0.0000   0.0000   16.120   10.426  ?   ?   945.489  307.414 0.000000 307.4145 
1 1 1   14   22   26 o  814.091  260.447   11.746   7.5051  -2.7023   10.489   26.906   10.744  589.601  266.413  1202.57  288.925 -612.9678 393.0057 
1 1 1   14   22   28 o  412.051  195.535  -6.9253   6.8023   1.1160   9.0164 -17.5487   10.363  596.479  259.225  442.980  217.438 153.4987 338.3444 
1 1 1   14   22   30 o  622.458  246.860   5.2028   7.1664  -0.7681   9.9678   11.591   10.311  585.697  262.599  802.830  301.956 -217.1329 400.1699 
1 1 1   14   22   32 o  725.751  259.053   9.5916   7.4369   11.705   10.539   7.4953   10.496  791.099  303.439  711.653  292.740 79.44580 421.6305 
1 1 1   14   22   34 o  350.054  145.465   0.7846   2.6281   1.3257   2.7542  -4.7226   8.7868  374.944  151.551  489.286  229.089 -114.3425 274.6807 
1 1 1   14   22   36 f  254.186  117.908  -1.6566   2.2422  -1.8059   2.3075   0.8682   9.4896  255.340  118.837  563.576  254.145 -308.2363 280.5566 
1 1 1   14   23    1 f  919.963  196.330   13.976   5.4833   6.8017   8.3041   19.522   7.3013  730.323  271.711  1085.82  222.231 -355.4943 351.0181 
1 1 1   14   23    3 o  836.594  251.682   11.403   7.1304   0.0000   0.0000   11.403   7.1304  ?   ?   836.594  251.682 0.000000 251.6817 
1 1 1   14   23    5 o  1204.43  170.049   23.451   6.2348   21.354   9.6118   24.974   8.1920  1126.57  274.903  1231.72  220.500 -105.1464 352.4085 
1 1 1   14   23    7 o  809.005  292.463   9.1280   9.5111   9.1280   9.5111   0.0000   0.0000  809.005  292.463  ?   ?  0.000000 292.4626 
1 1 1   14   23    9 o  829.917  260.251   11.106   7.5257   0.0000   0.0000   11.106   7.5257  ?   ?   829.917  260.251 0.000000 260.2515 
1 1 1   14   23   11 o  878.101  292.816   12.135   9.4375   12.135   9.4375   0.0000   0.0000  878.101  292.816  ?   ?  0.000000 292.8158 
1 1 1   14   23   13 o  607.266  253.787   1.5590   8.0646   1.5590   8.0646   0.0000   0.0000  607.266  253.787  ?   ?  0.000000 253.7872 
1 1 1   14   23   15 o  649.366  269.291   2.4111   8.9805   2.4111   8.9805   0.0000   0.0000  649.366  269.291  ?   ?  0.000000 269.2913 
1 1 1   14   23   17 o  1117.26  192.932   20.678   6.5055   21.371   9.3151   20.019   9.0895  1113.53  269.960  1077.69  269.936 35.83606 381.7642 
1 1 1   14   23   19 o  1338.10  186.856   29.518   7.6155   43.032   10.694   15.614   10.847  1607.06  218.161  957.034  313.676 650.0228 382.0817 
1 1 1   14   23   21 o  647.166  242.414   5.6776   6.6319  -2.8163   9.2911   14.501   9.4694  564.903  253.385  914.791  292.539 -349.8881 387.0179 
1 1 1   14   23   23 o  704.166  250.487   7.7176   6.9475   16.691   9.6639  -1.8808   9.9949  963.984  293.678  595.013  265.134 368.9717 395.6550 
1 1 1   14   23   27 o  463.123  214.033  -4.4819   7.2888  -9.6397   9.8346   1.8040   10.857  492.594  234.152  657.499  285.098 -164.9050 368.9276 
1 1 1   14   23   29 o  1099.53  242.550   22.019   8.1266   23.066   11.290   20.893   11.707  1078.85  314.741  1022.72  325.076 56.13519 452.4781 
1 1 1   14   23   31 o  578.933  245.921   2.4741   7.7710 -16.2123   10.768   22.785   11.226  458.650  224.402  1054.92  315.445 -596.2657 387.1199 
1 1 1   14   23   33 o  680.804  230.502   8.3654   5.8485   11.547   7.1655   2.0167   10.123  777.768  254.946  616.003  271.016 161.7654 372.0849 
1 1 1   14   24    0 o  536.211  219.239   1.7308   5.8428   16.173   10.460  -4.8197   7.0443  994.744  305.980  465.725  213.472 529.0192 373.0872 
1 1 1   14   24    4 o  1123.08  321.703   21.184   11.892   21.184   11.892   0.0000   0.0000  1123.08  321.703  ?   ?  0.000000 321.7025 
1 1 1   14   24    6 o  733.765  304.279   2.8833   11.465   2.8833   11.465   0.0000   0.0000  733.765  304.279  ?   ?  0.000000 304.2788 
1 1 1   14   24   10 o  1378.53  257.344   31.741   10.700   31.741   10.700   0.0000   0.0000  1378.53  257.344  ?   ?  0.000000 257.3441 
1 1 1   14   24   12 o  799.393  275.631   9.7306   8.3696   0.0000   0.0000   9.7306   8.3696  ?   ?   799.393  275.631 0.000000 275.6314 
1 1 1   14   24   14 o  453.924  202.418  -2.0663   5.8374   9.2354   9.1183  -9.9150   7.5987  796.300  286.569  423.978  202.725 372.3223 351.0252 
1 1 1   14   24   16 f  708.494  244.806   7.6556   6.6040   6.9137   9.8046   8.2718   8.9348  754.441  291.801  766.732  282.499 -12.29028 406.1450 
1 1 1   14   24   18 o  460.115  208.487  -3.1759   6.4755   6.7619   9.2464 -12.7414   9.0715  735.345  283.664  450.617  217.008 284.7282 357.1520 
1 1 1   14   24   20 o  975.004  242.727   16.460   7.3815   21.617   10.433   11.291   10.445  1101.62  296.091  848.972  306.552 252.6536 426.1969 
1 1 1   14   24   22 o  809.075  264.431   11.054   7.7107   18.292   10.469   2.4704   11.400  1009.17  305.265  698.244  297.257 310.9302 426.0852 
1 1 1   14   24   24 o  725.682  262.998   8.1475   7.6981   4.0771   10.358   13.170   11.505  694.116  288.642  886.178  321.468 -192.0617 432.0370 
1 1 1   14   24   26 o  646.420  287.963  -1.0742   11.782   0.0000   0.0000  -1.0742   11.782  ?   ?   646.420  287.963 0.000000 287.9634 
1 1 1   14   24   28 o  535.841  236.060  -0.4942   7.7031   0.8240   10.632  -1.9506   11.176  637.096  279.083  613.880  276.411 23.21637 392.7981 
1 1 1   14   24   30 o  1117.58  232.016   22.517   7.8535   16.995   10.349   30.017   12.060  935.807  306.365  1233.67  311.993 -297.8618 437.2632 
1 1 1   14   24   32 o  707.868  302.148   5.4795   11.834   5.4795   11.834   0.0000   0.0000  707.868  302.148  ?   ?  0.000000 302.1480 
1 1 1   14   25    5 o  349.176  168.912  -9.0773   5.6483  -3.9759   9.5106 -11.8569   7.0204  570.217  256.023  383.165  186.064 187.0516 316.4927 
1 1 1   14   25    7 o  863.551  310.545   10.710   10.706   10.710   10.706   0.0000   0.0000  863.551  310.545  ?   ?  0.000000 310.5454 
1 1 1   14   25    9 o  940.388  233.880   14.837   6.8581  -1.6611   10.960   25.453   8.7920  646.763  283.334  1236.10  235.757 -589.3365 368.5914 
1 1 1   14   25   11 f  977.188  223.165   16.021   6.6786   11.422   10.503   19.142   8.6531  871.344  308.198  1061.77  261.900 -190.4277 404.4472 
1 1 1   14   25   13 o  609.536  237.380   3.9987   6.5229  -7.7188   10.084   12.430   8.5536  539.441  250.161  870.248  278.006 -330.8077 373.9894 
1 1 1   14   25   15 o  711.963  255.411   7.3456   7.2379   3.9680   10.185   10.791   10.287  707.373  289.370  847.315  304.443 -139.9415 420.0244 
1 1 1   14   25   17 o  689.522  253.459   6.6190   7.1863  -5.7495   10.280   18.440   10.050  564.819  258.520  1029.14  296.008 -464.3223 393.0052 
1 1 1   14   25   19 o  834.185  264.090   11.691   7.7321   16.401   10.654   6.4485   11.239  973.677  310.185  768.951  307.779 204.7255 436.9696 
1 1 1   14   25   21 o  901.260  261.739   14.108   7.8237   19.413   10.944   8.5626   11.189  1041.97  311.423  802.327  311.335 239.6409 440.3566 
1 1 1   14   25   23 o  1026.75  257.495   18.605   8.2637   12.502   11.388   25.393   12.010  877.917  319.615  1175.08  318.462 -297.1618 451.1888 
1 1 1   14   25   25 o  822.503  314.745   10.165   11.322   10.165   11.322   0.0000   0.0000  822.503  314.745  ?   ?  0.000000 314.7450 
1 1 1   14   25   27 o  1019.42  255.454   18.730   8.1378   18.622   11.037   18.859   12.046  996.915  315.513  1000.67  330.685 -3.755859 457.0569 
1 1 1   14   25   29 f  576.235  230.104   3.7554   6.2660   3.0096   7.5544   5.4000   11.218  594.365  246.775  718.132  299.651 -123.7673 388.1869 
1 1 1   14   26    0 o  864.455  234.500   12.406   6.5085   7.3015   10.307   15.792   8.3936  785.611  300.383  972.218  267.378 -186.6064 402.1456 
1 1 1   14   26    2 o  727.260  267.646   6.9984   8.0166   0.0000   0.0000   6.9984   8.0166  ?   ?   727.260  267.646 0.000000 267.6455 
1 1 1   14   26    4 o  824.752  244.061   11.172   6.7462   16.178   11.246   8.3578   8.4317  995.706  318.843  768.775  275.685 226.9311 421.5009 
1 1 1   14   26    6 o  669.109  243.897   6.0367   6.6343 -19.3855   10.939   20.830   8.3442  468.298  228.486  1114.25  245.759 -645.9520 335.5638 
1 1 1   14   26    8 o  1147.36  211.124   21.782   7.3055   34.962   11.660   13.266   9.3734  1442.89  267.941  904.306  291.249 538.5847 395.7502 
1 1 1   14   26   10 o  743.801  281.188   6.9864   8.9673   0.0000   0.0000   6.9864   8.9673  ?   ?   743.801  281.188 0.000000 281.1880 
1 1 1   14   26   12 o  603.231  244.779   2.7978   7.2154 -16.6820   10.851   18.238   9.6606  483.134  233.815  1032.78  287.925 -549.6478 370.9044 
1 1 1   14   26   14 o  716.867  265.295   6.9685   7.8959  -6.5893   11.065   21.033   11.270  583.341  267.445  1100.99  312.424 -517.6481 411.2609 
1 1 1   14   26   16 o  702.493  260.804   6.6823   7.6429   7.1547   11.094   6.2554   10.544  785.666  308.548  757.128  299.703 28.53717 430.1441 
1 1 1   14   26   18 o  566.574  242.155   0.5019   7.6193  -4.5679   10.968   5.2298   10.592  600.049  271.668  736.114  297.318 -136.0651 402.7424 
1 1 1   14   26   20 o  814.229  274.404   10.805   8.2882   19.582   11.435   1.0899   12.030  1051.57  319.254  701.018  302.037 350.5518 439.4880 
1 1 1   14   26   22 o  990.723  329.610   17.183   11.961   17.183   11.961   0.0000   0.0000  990.723  329.610  ?   ?  0.000000 329.6102 
1 1 1   14   26   24 o  489.300  214.438  -0.7835   6.2835  -7.5699   7.4049   16.672   11.876  435.784  205.970  971.477  328.465 -535.6932 387.7020 
1 1 1   14   26   26 o  484.172  221.582  -3.9833   7.5491 -13.3449   10.160   7.5557   11.280  475.848  229.280  772.370  308.622 -296.5230 384.4695 
1 1 1   14   27    3 o  1114.67  291.317   21.072   10.281   0.0000   0.0000   21.072   10.281  ?   ?   1114.67  291.317 0.000000 291.3174 
1 1 1   14   27    5 o  986.358  252.401   16.362   7.8277   25.495   12.319   10.178   10.137  1219.55  318.967  841.356  302.222 378.1980 439.4067 
1 1 1   14   27    7 o  429.262  203.400  -8.4424   7.3078  -2.3686   11.526 -12.5256   9.4502  654.046  288.411  471.066  225.463 182.9804 366.0803 
1 1 1   14   27    9 o  971.351  319.014   15.351   11.217   0.0000   0.0000   15.351   11.217  ?   ?   971.351  319.014 0.000000 319.0143 
1 1 1   14   27   11 o  718.396  270.372   6.5752   8.2689   14.564   12.072  -0.4850   11.349  959.927  331.029  672.526  291.552 287.4010 441.1155 
1 1 1   14   27   13 o  808.298  271.693   10.295   8.1250   13.760   11.130   6.3426   11.888  929.346  317.968  792.879  316.828 136.4677 448.8693 
1 1 1   14   27   15 f  434.315  206.945  -9.5536   7.7759  -8.2693   10.492 -11.1186   11.582  546.263  253.957  552.929  260.197 -6.665283 363.5882 
1 1 1   14   27   17 o  754.796  272.328   8.3089   8.2407   4.5524   11.237   12.681   12.122  742.333  303.836  911.657  330.081 -169.3240 448.6303 
1 1 1   14   27   19 o  439.056  201.335  -4.0264   6.2754  -3.9206   7.4305  -4.2895   11.719  487.838  221.936  625.906  282.323 -138.0681 359.1128 
1 1 1   14   27   21 o  812.089  275.163   10.695   8.3346   13.135   11.220   7.6905   12.449  901.916  318.591  814.149  324.581 87.76630 454.8107 
1 1 1   14   27   23 o  691.606  268.576   5.8978   8.3317   2.5999   10.974   10.385   12.801  693.578  293.303  861.628  333.377 -168.0501 444.0352 
1 1 1   14   27   25 o  538.944  236.707  -0.8641   7.6930   5.3366   10.262  -8.8212   11.624  718.326  291.761  564.740  264.125 153.5856 393.5562 
1 1 1   14   28    0 o  821.641  290.633   9.8285   9.3403   0.0000   0.0000   9.8285   9.3403  ?   ?   821.641  290.633 0.000000 290.6325 
1 1 1   14   28    2 o  1021.03  297.128   17.457   10.073   0.0000   0.0000   17.457   10.073  ?   ?   1021.03  297.128 0.000000 297.1278 
1 1 1   14   28    4 f  452.690  210.279  -6.0681   7.1692 -20.3863   12.382   1.1521   8.7929  508.169  246.844  624.910  263.306 -116.7409 360.9183 
1 1 1   14   28    6 o  662.931  263.306   4.0982   8.1644   3.2458   14.116   4.5266   10.008  801.419  335.414  721.367  289.834 80.05231 443.2906 
1 1 1   14   28    8 o  1078.80  273.583   19.726   9.2551   10.159   14.857   25.794   11.831  922.187  358.498  1226.82  308.343 -304.6354 472.8595 
1 1 1   14   28   10 o  1098.38  269.358   20.479   9.1933   20.239   13.423   20.692   12.617  1096.87  348.035  1103.53  335.420 -6.662964 483.3579 
1 1 1   14   28   12 o  668.780  268.052   3.9946   8.5378   14.785   12.425  -5.6565   11.751  969.105  335.741  618.107  280.389 350.9978 437.4247 
1 1 1   14   28   14 o  607.492  262.747  -0.3780   9.1747   13.470   13.028 -14.0009   12.922  946.823  342.294  570.189  270.263 376.6335 436.1277 
1 1 1   14   28   16 o  351.552  175.655 -21.0775   7.9857 -16.8381   10.827 -26.1350   11.826  480.344  232.739  451.531  223.615 28.81335 322.7554 
1 1 1   14   28   18 o  552.554  245.253  -2.2200   8.4683   1.6024   10.991  -7.8045   13.285  688.473  292.458  634.703  291.747 53.76978 413.0952 
1 1 1   14   28   20 o  633.628  261.023   2.8058   8.3600  -5.6068   10.952   14.553   12.941  587.608  268.141  955.185  341.648 -367.5766 434.3076 
1 1 1   14   29    1 o  631.278  273.177  -0.7157   9.9279   0.0000   0.0000  -0.7157   9.9279  ?   ?   631.278  273.177 0.000000 273.1773 
1 1 1   14   29    3 o  1166.19  267.341   22.876   9.5537   38.084   15.611   13.770   12.080  1489.71  341.914  951.604  330.964 538.1051 475.8591 
1 1 1   14   29    5 o  918.698  325.408   12.501   11.713   0.0000   0.0000   12.501   11.713  ?   ?   918.698  325.408 0.000000 325.4076 
1 1 1   14   29    7 o  853.693  296.214   10.985   9.6736   6.1386   16.491   13.528   11.944  894.759  367.370  942.836  329.035 -48.07745 493.1784 
1 1 1   14   29    9 o  599.445  278.362  -9.9167   12.548   0.0000   0.0000  -9.9167   12.548  ?   ?   599.445  278.362 0.000000 278.3622 
1 1 1   14   29   11 o  713.019  275.571   5.7579   8.7391   5.7895   11.576   5.7159   13.326  781.144  312.461  819.076  332.555 -37.93152 456.3166 
1 1 1   14   29   13 o  828.458  329.282   7.1043   12.777   0.0000   0.0000   7.1043   12.777  ?   ?   828.458  329.282 0.000000 329.2822 
1 1 1   14   29   15 o  538.350  257.755 -15.8966   12.374   0.0000   0.0000 -15.8966   12.374  ?   ?   538.350  257.755 0.000000 257.7549 
1 1 1   14   29   17 o  747.067  287.668   6.7412   9.4960   11.980   13.477   1.5752   13.383  921.957  345.519  751.970  321.148 169.9866 471.7201 
1 1 1   14   30    0 o  772.497  315.026   4.3379   12.024   0.0000   0.0000   4.3379   12.024  ?   ?   772.497  315.026 0.000000 315.0255 
1 1 1   14   30    2 o  809.981  319.741   6.5985   11.971   0.0000   0.0000   6.5985   11.971  ?   ?   809.981  319.741 0.000000 319.7409 
1 1 1   14   30    4 o  676.259  301.906  -4.3770   13.025   0.0000   0.0000  -4.3770   13.025  ?   ?   676.259  301.906 0.000000 301.9058 
1 1 1   14   30    6 f  541.739  244.983  -4.4571   8.8897  -9.8652   12.810   0.5665   12.346  609.851  282.512  721.155  308.238 -111.3044 418.1193 
1 1 1   14   30    8 o  1057.07  286.495   18.841   9.7198   17.315   14.082   20.229   13.433  1047.28  357.652  1103.33  347.957 -56.05164 498.9883 
1 1 1   14   30   10 o  721.458  269.802   6.6217   8.2086  -7.1431   10.029   34.556   14.287  547.645  252.381  1418.84  328.127 -871.1913 413.9608 
1 1 1   14   30   12 o  841.067  266.596   11.435   7.8777   0.6195   9.7149   32.202   13.462  643.544  274.202  1368.90  319.822 -725.3578 421.2749 
1 1 1   14   31    1 o  668.855  283.208   0.9276   10.253   10.305   15.576  -6.2417   13.619  946.904  367.359  673.546  304.033 273.3579 476.8534 
1 1 1   14   31    3 o  475.786  226.631 -11.6846   9.3095  -9.2238   13.755 -13.7646   12.646  645.883  296.877  569.874  269.292 76.00916 400.8173 
1 1 1   15    0    1 o  4813.19  252.055  373.319   37.750  373.319   37.750  373.319   37.750  4813.19  252.055  4813.19  252.055 -0.000000 0.000000 
1 1 1   15    0    3 o  2988.87  183.597  143.055   17.034  143.055   17.034  143.055   17.034  2988.87  183.597  2988.87  183.597 -0.000000 0.000000 
1 1 1   15    0    5 f  3926.42  217.184  247.723   26.515  247.723   26.515  247.723   26.515  3926.42  217.184  3926.42  217.184 -0.000000 0.000000 
1 1 1   15    0    7 o  6728.36  338.405  746.565   70.884  746.565   70.884  746.565   70.884  6728.36  338.405  6728.36  338.405 -0.000000 0.000000 
1 1 1   15    0    9 o  1910.08  153.011   58.814   9.0164   58.814   9.0164   58.814   9.0164  1910.08  153.011  1910.08  153.011 -0.000000 0.000000 
1 1 1   15    0   11 o  415.319  173.763   3.8531   2.2649   3.8531   2.2649   3.8531   2.2649  415.319  173.763  415.319  173.763 -0.000000 0.000000 
1 1 1   15    0   13 o  2760.21  177.355  123.184   15.183  123.184   15.183  123.184   15.183  2760.21  177.355  2760.21  177.355 -0.000000 0.000000 
1 1 1   15    0   15 o  2352.45  165.602   89.685   12.060   89.685   12.060   89.685   12.060  2352.45  165.602  2352.45  165.602 -0.000000 0.000000 
1 1 1   15    0   17 o  3280.64  196.156  175.479   19.985  175.479   19.985  175.479   19.985  3280.64  196.156  3280.64  196.156 -0.000000 0.000000 
1 1 1   15    0   19 o  352.844  174.317   2.9388   2.3115   2.9388   2.3115   2.9388   2.3115  352.844  174.317  352.844  174.317 -0.000000 0.000000 
1 1 1   15    0   21 f  816.648  171.943   11.947   3.8704   11.947   3.8704   11.947   3.8704  816.648  171.943  816.648  171.943 -0.000000 0.000000 
1 1 1   15    0   23 o  141.485   97.748  -1.1382   1.4629  -1.1382   1.4629  -1.1382   1.4629  141.485   97.748  141.485   97.748 -0.000000 0.000000 
1 1 1   15    0   25 o  472.332  195.417   5.0490   2.8712   5.0490   2.8712   5.0490   2.8712  472.332  195.417  472.332  195.417 -0.000000 0.000000 
1 1 1   15    0   27 o  1076.36  155.972   19.656   4.9356   19.656   4.9356   19.656   4.9356  1076.36  155.972  1076.36  155.972 -0.000000 0.000000 
1 1 1   15    0   29 o  183.743  122.330  -0.5489   1.8977  -0.5489   1.8977  -0.5489   1.8977  183.743  122.330  183.743  122.330 -0.000000 0.000000 
1 1 1   15    0   31 o  1011.18  165.709   17.566   4.8234   17.566   4.8234   17.566   4.8234  1011.18  165.709  1011.18  165.709 -0.000000 0.000000 
1 1 1   15    0   33 o  1400.35  107.514   31.545   4.6504   31.545   4.6504   31.545   4.6504  1400.35  107.514  1400.35  107.514 -0.000000 0.000000 
1 1 1   15    0   35 o  396.614  201.996   3.7498   3.1519   3.7498   3.1519   3.7498   3.1519  396.614  201.996  396.614  201.996 -0.000000 0.000000 
1 1 1   15    0   37 o  3538.45  144.402  200.673   15.939  200.673   15.939  200.673   15.939  3538.45  144.402  3538.45  144.402 -0.000000 0.000000 
1 1 1   15    0   39 o  2445.41  120.318   95.567   9.1621   95.567   9.1621   95.567   9.1621  2445.41  120.318  2445.41  120.318 -0.000000 0.000000 
1 1 1   15    0   41 o  1432.03  118.023   33.244   5.2095   33.244   5.2095   33.244   5.2095  1432.03  118.023  1432.03  118.023 -0.000000 0.000000 
1 1 1   15    0   43 o  1564.99  115.207   39.698   5.5753   39.698   5.5753   39.698   5.5753  1564.99  115.207  1564.99  115.207 -0.000000 0.000000 
1 1 1   15    0   45 o  974.326  230.919   18.217   6.1162   18.217   6.1162   18.217   6.1162  974.326  230.919  974.326  230.919 -0.000000 0.000000 
1 1 1   15    0   47 o  269.157  183.411  -2.0978   4.7614  -2.0978   4.7614  -2.0978   4.7614  269.157  183.411  269.157  183.411 -0.000000 0.000000 
1 1 1   15    0   49 o  1623.94  126.945   43.516   6.3644   43.516   6.3644   43.516   6.3644  1623.94  126.945  1623.94  126.945 -0.000000 0.000000 
1 1 1   15    0   51 o  1181.42  146.111   23.910   5.1830   23.910   5.1830   23.910   5.1830  1181.42  146.111  1181.42  146.111 -0.000000 0.000000 
1 1 1   15    1    0 o  2051.03  108.107   66.552   6.9184   71.389   9.7971   61.741   9.7711  2114.87  148.895  1962.96  160.371 151.9064 218.8345 
1 1 1   15    1    2 o  4672.07  171.992  348.711   25.161  355.564   35.577  341.854   35.590  4664.96  244.408  4569.77  249.671 95.18604 349.3864 
1 1 1   15    1    4 o  6525.34  228.428  692.067   46.674  682.298   65.995  701.843   66.017  6342.07  333.497  6439.82  328.484 -97.74854 468.1049 
1 1 1   15    1    6 o  2306.71  112.026   84.146   8.0915   90.735   11.463   77.604   11.423  2379.84  154.673  2195.81  167.396 184.0327 227.9144 
1 1 1   15    1    8 o  541.293  148.252   4.8293   2.5867   0.0000   0.0000   4.8293   2.5867  ?   ?   541.293  148.252 0.000000 148.2516 
1 1 1   15    1   10 o  2747.33  121.907  120.146   10.487  129.102   14.850  111.235   14.813  2822.14  168.816  2611.48  182.289 210.6616 248.4517 
1 1 1   15    1   12 o  2583.56  118.772  106.564   9.6084  111.944   13.608  101.215   13.569  2618.79  166.818  2484.21  175.564 134.5857 242.1798 
1 1 1   15    1   14 o  589.449  109.798   5.7200   1.9520   6.5721   2.8465   4.9636   2.6819  624.428  147.865  544.195  151.702 80.23248 211.8438 
1 1 1   15    1   16 o  296.309  108.913   1.1364   1.3269   0.2451   2.0187   1.8145   1.7607  299.526  126.182  356.540  126.177 -57.01407 178.4444 
1 1 1   15    1   18 o  1264.96   99.273   25.737   3.9005   27.998   5.5806   23.578   5.4540  1303.70  138.841  1190.51  149.612 113.1956 204.1092 
1 1 1   15    1   20 o  1915.42   87.214   58.519   5.2308   58.073   9.0835   58.740   6.3981  1864.60  157.042  1907.14  107.580 -42.53955 190.3565 
1 1 1   15    1   22 o  1060.86   81.954   18.065   2.7013   17.303   4.7484   18.429   3.2845  1007.13  155.587  1065.42   99.610 -58.29266 184.7417 
1 1 1   15    1   24 o  813.773   84.797   10.735   2.1290   12.940   3.7836   9.7129   2.5754  868.945  144.109  764.493  110.816 104.4520 181.7898 
1 1 1   15    1   26 o  916.415   85.215   13.618   2.4172   11.473   4.2306   14.658   2.9454  798.890  174.044  944.580  101.155 -145.6901 201.3054 
1 1 1   15    1   28 o  1198.03   84.609   23.173   3.1536   22.337   5.4629   23.592   3.8620  1135.19  157.969  1199.79  103.823 -64.60229 189.0324 
1 1 1   15    1   30 o  689.813  120.935   8.0407   2.5169   7.4661   3.6603   8.5562   3.4665  643.328  176.419  694.286  162.356 -50.95728 239.7560 
1 1 1   15    1   32 o  2898.74  105.436  137.339   9.5701  133.419   16.578  139.298   11.720  2715.65  196.275  2888.46  129.586 -172.8032 235.1944 
1 1 1   15    1   34 o  904.932  115.284   13.765   3.1924   18.743   4.6244   9.2319   4.4126  1037.90  146.358  697.320  194.659 340.5771 243.5418 
1 1 1   15    1   36 o  698.262  111.531   8.2768   2.3565   4.2389   3.9402   10.525   2.9403  502.481  187.119  782.406  124.164 -279.9252 224.5666 
1 1 1   15    1   38 o  1849.56  115.193   57.799   6.6382   0.0000   0.0000   57.799   6.6382  ?   ?   1849.56  115.193 0.000000 115.1932 
1 1 1   15    1   40 o  410.880  155.378   2.7366   2.7386   0.0000   0.0000   2.7366   2.7386  ?   ?   410.880  155.378 0.000000 155.3778 
1 1 1   15    1   42 o  2073.87   98.900   74.249   6.4224   77.419   7.9158   68.142   10.986  2063.74  123.056  1737.21  205.980 326.5343 239.9386 
1 1 1   15    1   44 o  285.952  124.438   0.6476   2.0832   4.3363   3.0695  -2.5024   2.8365  433.037  164.319  250.905  120.956 182.1319 204.0369 
1 1 1   15    1   46 o  343.974  153.494   2.2469   3.3629   2.5787   4.7034   1.8999   4.8101  360.785  168.496  351.551  166.112 9.233765 236.6093 
1 1 1   15    1   48 o  527.357  168.606   8.4339   3.1457   9.9908   5.5345   7.6909   3.8233  430.613  194.146  449.292  179.626 -18.67883 264.4957 
1 1 1   15    1   50 o  576.197  176.860   11.781   3.4966   2.3429   5.9303   16.810   4.3292  300.328  150.255  652.149  196.092 -351.8213 247.0399 
1 1 1   15    1   52 o  641.796  233.132   30.737   6.0541   0.0000   0.0000   30.737   6.0541  ?   ?   641.796  233.132 0.000000 233.1320 
1 1 1   15    2    1 o  1632.74   82.670   42.036   4.2127   41.584   7.2852   42.263   5.1636  1611.85  145.928  1634.24  101.407 -22.39124 177.7027 
1 1 1   15    2    3 o  3308.43  109.951  172.844   11.390  166.005   19.715  176.271   13.955  3206.53  197.311  3334.27  133.665 -127.7427 238.3228 
1 1 1   15    2    5 o  818.734   80.863   10.649   2.0460   12.515   3.6349   9.7834   2.4753  877.827  136.692  780.568  103.851 97.25879 171.6677 
1 1 1   15    2    7 o  3219.34  132.792  164.746   13.386  174.110   18.947  155.415   18.914  3281.57  185.150  3093.78  196.265 187.7961 269.8159 
1 1 1   15    2    9 f  833.615  100.937   11.150   2.5810   0.0000   0.0000   11.150   2.5810  ?   ?   833.615  100.937 0.000000 100.9371 
1 1 1   15    2   11 o  911.868   69.305   13.172   1.9641   13.387   2.7700   12.955   2.7852  913.993   98.335  898.459  100.738 15.53302 140.7758 
1 1 1   15    2   13 f  2138.67   89.728   72.513   6.0088   69.056   10.420   74.236   7.3548  2051.95  163.533  2154.81  109.364 -102.8616 196.7319 
1 1 1   15    2   15 o  390.038   89.485   2.5117   1.0697   3.0221   1.5206   2.0117   1.5051  426.681  112.286  359.187  116.799 67.49374 162.0191 
1 1 1   15    2   17 o  1075.84   80.451   18.462   2.6906   19.018   3.2933   17.348   4.6657  1087.28   97.778  1019.52  150.692 67.76166 179.6347 
1 1 1   15    2   19 o  1798.83   85.529   51.516   4.8175   51.054   5.8988   52.441   8.3478  1779.79  106.334  1778.33  151.354 1.453369 184.9727 
1 1 1   15    2   21 o  721.296   85.428   8.4126   1.8919   9.6484   3.2665   7.7887   2.3209  753.742  143.647  685.966  111.910 67.77582 182.0945 
1 1 1   15    2   23 o  818.894   84.633   10.847   2.1388   10.926   2.6278   10.693   3.6813  814.857  105.465  785.234  155.225 29.62292 187.6638 
1 1 1   15    2   25 o  988.543   83.533   15.795   2.5614   16.187   3.1413   15.017   4.4246  993.119  102.491  928.185  157.893 64.93420 188.2410 
1 1 1   15    2   27 o  1229.92   72.561   24.228   2.7821   25.779   3.9123   22.642   3.9570  1256.23  100.296  1172.43  109.036 83.80273 148.1492 
1 1 1   15    2   29 o  1959.19   76.952   61.369   4.7208   66.212   6.6766   56.528   6.6758  2013.70  106.263  1853.22  115.620 160.4763 157.0344 
1 1 1   15    2   31 o  812.695   82.411   10.702   2.0681   13.784   2.9257   7.6236   2.9239  914.887  103.976  661.197  145.200 253.6895 178.5887 
1 1 1   15    2   33 o  1497.25   89.151   36.384   4.1607   31.214   7.1760   39.003   5.1067  1319.53  178.239  1538.84  106.640 -219.3138 207.7045 
1 1 1   15    2   35 o  991.440   93.128   16.148   2.8572   19.716   5.0157   14.434   3.4764  1054.70  156.634  920.749  123.710 133.9489 199.5955 
1 1 1   15    2   37 o  4061.00  133.689  282.802   17.000  298.626   29.463  274.905   20.814  3780.30  250.321  3899.10  170.481 -118.7974 302.8604 
1 1 1   15    2   39 o  1320.32  118.751   29.892   4.8569   23.666   6.7527   36.566   6.9910  1085.61  206.188  1412.40  160.951 -326.7834 261.5698 
1 1 1   15    2   41 o  2016.72  188.024   83.229   11.737   0.0000   0.0000   83.229   11.737  ?   ?   2016.72  188.024 0.000000 188.0243 
1 1 1   15    2   43 o  1256.93  125.649   29.849   4.8790   0.0000   0.0000   29.849   4.8790  ?   ?   1256.93  125.649 0.000000 125.6486 
1 1 1   15    2   45 o  499.576  184.243   7.1521   3.8017   6.2741   5.4181   8.0036   5.3357  441.292  196.006  477.936  203.415 -36.64325 282.4820 
1 1 1   15    2   47 o  359.775  162.861   3.4827   3.9402   9.3003   5.7531  -1.6571   5.4076  440.417  198.312  307.014  151.896 133.4036 249.8002 
1 1 1   15    2   49 o  669.041  172.946   13.613   3.6496   12.668   7.1278   13.949   4.2487  394.615  190.606  598.389  196.323 -203.7741 273.6304 
1 1 1   15    2   51 o  280.072  130.652   2.0941   2.8152  -3.3826   4.0827   7.0585   3.8871  233.523  117.844  359.811  162.419 -126.2881 200.6669 
1 1 1   15    3    0 o  3849.60  121.122  234.302   14.600  238.692   25.292  232.107   17.880  3842.29  211.027  3821.82  149.411 20.46826 258.5656 
1 1 1   15    3    2 o  3530.10  114.581  196.896   12.665  204.569   21.948  193.065   15.508  3561.33  197.595  3487.08  142.028 74.24414 243.3427 
1 1 1   15    3    4 o  4980.87  146.727  394.697   22.884  397.202   39.633  393.444   28.028  4909.14  258.747  4952.61  180.734 -43.47607 315.6184 
1 1 1   15    3    6 o  2563.04  117.951  104.044   9.4662  104.278   13.400  103.810   13.375  2545.37  169.086  2539.60  169.158 5.770752 239.1750 
1 1 1   15    3    8 o  2069.87   88.162   67.585   5.7140   71.721   9.9156   65.529   6.9917  2111.98  150.932  2030.93  110.358 81.05334 186.9746 
1 1 1   15    3   10 o  1124.62   97.140   20.167   3.3872   18.372   4.7457   22.031   4.8359  1060.51  146.852  1166.45  134.890 -105.9371 199.4016 
1 1 1   15    3   12 o  1290.39   80.708   26.416   3.2446   27.752   5.6577   25.762   3.9607  1305.82  140.583  1269.66  100.445 36.16089 172.7794 
1 1 1   15    3   14 o  796.381   79.922   10.137   1.9661   6.8841   3.3003   11.927   2.4479  636.452  164.432  861.767   92.144 -225.3154 188.4898 
1 1 1   15    3   16 o  1075.09   68.629   18.336   2.2983   19.725   3.2608   16.965   3.2398  1108.81   94.830  1025.66  102.241 83.14709 139.4485 
1 1 1   15    3   18 o  469.199   86.057   3.6073   1.2177   3.7520   1.7562   3.4733   1.6900  473.306  118.706  455.734  117.632 17.57263 167.1180 
1 1 1   15    3   20 o  399.833   97.734   2.6615   1.2133   3.2004   1.7176   2.1246   1.7142  437.432  121.211  371.125  124.793 66.30664 173.9698 
1 1 1   15    3   22 o  1187.55   82.416   22.622   3.0457   21.739   3.7151   24.431   5.3188  1156.00  103.738  1206.19  143.651 -50.19324 177.1924 
1 1 1   15    3   24 o  1102.58  150.543   20.810   5.0616   0.0000   0.0000   20.810   5.0616  ?   ?   1102.58  150.543 0.000000 150.5432 
1 1 1   15    3   26 o  214.959   95.058  -0.3369   1.2608  -0.6673   1.7032   0.0637   1.8753  241.346  108.355  279.295  119.773 -37.94893 161.5122 
1 1 1   15    3   28 o  1665.89  106.467   45.347   5.5246   44.323   7.6514   46.462   7.9853  1611.41  153.497  1647.26  156.703 -35.85229 219.3565 
1 1 1   15    3   30 o  1882.87   87.635   57.018   5.1667   63.108   6.3494   45.084   8.8892  1968.26  103.384  1600.20  180.565 368.0653 208.0677 
1 1 1   15    3   32 o  711.961   89.121   8.2950   1.9433   9.8754   2.7207   6.6492   2.7765  766.709  117.038  615.456  146.235 151.2537 187.3034 
1 1 1   15    3   34 o  924.707   92.522   14.018   2.6430   13.349   4.5160   14.366   3.2596  856.332  174.345  925.289  114.983 -68.95740 208.8473 
1 1 1   15    3   36 o  2547.20  123.788  109.347   9.8732   0.0000   0.0000  109.347   9.8732  ?   ?   2547.20  123.788 0.000000 123.7881 
1 1 1   15    3   38 o  2251.36   83.678   82.503   5.8990   84.016   8.3807   81.017   8.3046  2223.95  120.801  2182.07  122.034 41.87988 171.7119 
1 1 1   15    3   40 o  1328.61  116.054   30.498   4.7796   33.358   7.2658   28.317   6.3460  1306.19  182.643  1216.95  171.276 89.23999 250.3870 
1 1 1   15    3   42 o  1934.10  100.343   64.980   6.0560   64.245   10.781   65.318   7.3200  1671.12  210.724  1890.17  124.372 -219.0526 244.6896 
1 1 1   15    3   44 o  738.214  145.654   11.410   3.2473   8.0677   3.9215   18.701   5.7923  550.309  188.730  806.784  222.211 -256.4747 291.5421 
1 1 1   15    3   46 f  276.414  122.752   0.6575   2.1242  -0.6939   3.2583   1.6563   2.8013  283.989  134.929  321.998  142.078 -38.00888 195.9384 
1 1 1   15    3   48 o  474.045  166.153   6.9888   3.0473   8.4724   6.9415   6.6346   3.3916  384.201  186.206  439.049  171.119 -54.84827 252.8918 
1 1 1   15    3   50 f  470.942  185.564   10.560   4.0250   0.0000   0.0000   10.560   4.0250  ?   ?   470.942  185.564 0.000000 185.5637 
1 1 1   15    3   52 o  517.741  209.099   20.680   5.2385   0.0000   0.0000   20.680   5.2385  ?   ?   517.741  209.099 0.000000 209.0990 
1 1 1   15    4    1 f  377.451   99.501   2.3266   1.1927   0.5101   2.2068   3.0761   1.4175  325.212  134.056  433.031  105.512 -107.8186 170.5987 
1 1 1   15    4    3 o  2508.04   95.386   99.147   7.4910   99.326   12.978   99.058   9.1734  2487.68  167.583  2502.67  117.061 -14.98462 204.4195 
1 1 1   15    4    5 o  2150.19  110.248   73.287   7.3978   66.240   10.455   80.353   10.469  2027.89  166.107  2240.21  150.114 -212.3153 223.8879 
1 1 1   15    4    7 f  3324.95  110.288  175.062   11.482  180.744   19.894  172.224   14.061  3335.96  191.249  3287.99  136.573 47.96851 235.0068 
1 1 1   15    4    9 o  1618.99   82.815   41.460   4.1842   42.105   5.1410   40.196   7.2015  1627.45  101.387  1576.65  147.589 50.80139 179.0587 
1 1 1   15    4   11 o  2805.56  124.230  125.851   10.914  126.774   15.439  124.930   15.429  2780.44  178.270  2759.17  179.565 21.27173 253.0296 
1 1 1   15    4   13 o  1739.01   72.590   47.756   3.9527   46.856   5.5946   48.654   5.5853  1711.54  104.898  1744.94  102.676 -33.39636 146.7851 
1 1 1   15    4   15 o  707.677   72.341   7.9975   1.5805   8.2420   2.2644   7.7653   2.2070  711.142  104.836  689.680  105.553 21.46252 148.7685 
1 1 1   15    4   17 o  388.738   91.004   2.5004   1.0882   1.4524   1.5315   3.5690   1.5465  325.658  117.414  462.912  108.568 -137.2538 159.9162 
1 1 1   15    4   19 o  621.754   88.319   6.2766   1.6711   5.2513   2.0552   8.2775   2.8709  559.746  120.800  701.768  135.557 -142.0218 181.5717 
1 1 1   15    4   21 o  1181.13   99.892   22.576   3.6598   24.731   5.1604   20.395   5.1912  1219.54  137.537  1097.45  155.410 122.0907 207.5297 
1 1 1   15    4   23 o  742.969   74.983   8.8835   1.7205   10.028   2.4230   7.7192   2.4436  781.582  101.396  677.983  119.468 103.5984 156.6964 
1 1 1   15    4   25 o  544.407   86.598   4.8707   1.4268   6.6360   2.0377   3.1727   1.9984  630.689  107.006  434.524  133.760 196.1648 171.2951 
1 1 1   15    4   27 o  1089.64   87.743   19.199   2.9683   14.317   5.3033   21.427   3.5820  885.187  196.463  1145.79  100.868 -260.5999 220.8445 
1 1 1   15    4   29 o  1577.17  105.415   40.570   5.1760   45.511   7.2800   35.520   7.3604  1644.10  142.832  1432.94  167.187 211.1635 219.8917 
1 1 1   15    4   31 o  1053.01   78.709   17.841   2.5765   18.460   3.6099   17.197   3.6784  1057.73  110.632  1017.18  117.660 40.55682 161.5036 
1 1 1   15    4   33 o  610.889  119.256   6.3630   2.1993   8.0658   4.1110   5.6802   2.6032  659.362  189.225  567.577  145.725 91.78485 238.8337 
1 1 1   15    4   35 o  437.753  120.341   3.3065   1.7007   3.6399   2.4962   3.0178   2.3234  460.287  150.456  426.840  145.279 33.44705 209.1479 
1 1 1   15    4   37 o  886.355  102.144   13.103   2.7830   15.070   5.3543   12.375   3.2577  883.317  198.428  847.674  126.614 35.64386 235.3821 
1 1 1   15    4   39 f  1492.47  109.562   37.668   5.0844   47.989   7.6801   29.616   6.7839  1631.62  152.077  1250.47  178.305 381.1567 234.3510 
1 1 1   15    4   41 o  1256.63   81.717   26.281   3.1980   32.616   4.6696   20.684   4.3886  1368.70  109.883  1062.17  135.003 306.5323 174.0687 
1 1 1   15    4   43 o  542.176  166.438   6.5893   3.0965   0.0000   0.0000   6.5893   3.0965  ?   ?   542.176  166.438 0.000000 166.4375 
1 1 1   15    4   45 o  731.736  129.818   10.963   2.8655   14.806   5.1035   9.1932   3.4629  690.676  213.945  602.205  173.917 88.47095 275.7166 
1 1 1   15    4   47 o  298.961  130.717   1.4363   2.3229  -2.9017   4.1624   3.3984   2.7993  272.900  134.694  364.037  150.606 -91.13638 202.0514 
1 1 1   15    4   49 o  630.879  159.497   11.137   3.1525   12.553   5.4171   10.412   3.8766  457.979  199.949  513.761  186.564 -55.78174 273.4699 
1 1 1   15    4   51 o  347.929  154.744   5.5596   3.3879   4.5396   7.5913   5.8133   3.7859  295.895  150.452  340.738  156.298 -44.84216 216.9439 
1 1 1   15    5    0 o  2518.64   82.522   99.789   6.5081   97.989   9.1995  101.593   9.2081  2489.65  118.008  2535.44  115.984 -45.78516 165.4633 
1 1 1   15    5    2 o  3207.11  107.420  162.411   10.787  149.960   18.670  168.651   13.217  3045.62  196.823  3261.90  129.402 -216.2791 235.5510 
1 1 1   15    5    4 o  3399.82  137.095  183.714   14.595  166.752   20.628  200.717   20.653  3202.74  206.792  3526.13  187.726 -323.3938 279.2923 
1 1 1   15    5    6 o  3088.28  106.063  150.878   10.256  147.124   17.765  152.755   12.562  3010.45  189.424  3099.62  129.425 -89.16724 229.4170 
1 1 1   15    5    8 o  1242.92   80.237   24.456   3.1061   23.338   5.4339   24.999   3.7855  1198.22  147.971  1253.49   97.206 -55.26831 177.0437 
1 1 1   15    5   10 o  1856.66   73.608   54.356   4.2793   56.798   6.0690   51.941   6.0348  1888.82  103.004  1804.74  107.274 84.07983 148.7190 
1 1 1   15    5   12 o  1687.49   82.868   45.060   4.3787   48.695   7.6109   43.262   5.3534  1731.49  141.617  1645.22  104.460 86.27979 175.9753 
1 1 1   15    5   14 o  239.602   88.218   0.7246   0.8711   1.1932   1.3135   0.3568   1.1638  299.397  108.616  240.295   98.002 59.10204 146.2939 
1 1 1   15    5   16 o  1734.56   84.071   47.749   4.5662   44.406   5.5852   54.487   7.9294  1662.25  107.888  1826.62  139.695 -164.3698 176.5069 
1 1 1   15    5   18 o  1282.81  143.492   27.193   5.6650   27.193   5.6650   0.0000   0.0000  1282.81  143.492  ?   ?  0.000000 143.4918 
1 1 1   15    5   20 o  574.737   79.592   5.3480   1.3939   6.7656   1.9510   3.8697   1.9923  642.286  100.285  479.048  129.654 163.2384 163.9127 
1 1 1   15    5   22 o  832.428   85.175   11.192   2.1889   10.097   2.6959   13.309   3.7496  780.957  113.572  887.682  139.501 -106.7255 179.8867 
1 1 1   15    5   24 o  360.466  109.041   2.1396   1.3357   4.0066   2.2378   1.1063   1.6648  483.805  139.833  311.185  120.274 172.6201 184.4431 
1 1 1   15    5   26 o  479.347   97.616   3.8366   1.4154   2.1127   2.0323   5.4602   1.9723  378.477  135.387  568.962  114.670 -190.4855 177.4230 
1 1 1   15    5   28 o  796.449   76.321   10.205   1.8800   9.7161   2.7328   10.644   2.5905  763.017  118.205  804.144  105.419 -41.12683 158.3843 
1 1 1   15    5   30 o  422.687  115.333   3.0187   1.5690   2.1228   2.0575   4.2634   2.4252  379.830  136.187  498.117  146.032 -118.2873 199.6806 
1 1 1   15    5   32 o  885.187  101.159   12.886   2.7535   13.746   3.2273   10.582   5.2791  907.934  116.183  745.983  214.529 161.9512 243.9694 
1 1 1   15    5   34 o  1784.95   75.637   51.103   4.2274   52.823   5.9775   49.383   5.9794  1790.63  107.101  1727.90  111.104 62.73608 154.3204 
1 1 1   15    5   36 o  2088.37   92.674   71.081   6.0601   77.195   10.344   67.887   7.4777  2093.84  158.961  2012.34  119.203 81.49585 198.6905 
1 1 1   15    5   38 o  2052.65   95.034   69.289   6.1082   74.553   10.480   66.581   7.5171  2027.12  166.575  1978.96  121.903 48.15576 206.4156 
1 1 1   15    5   40 o  377.748  144.881   2.1648   2.4024   0.0000   0.0000   2.1648   2.4024  ?   ?   377.748  144.881 0.000000 144.8808 
1 1 1   15    5   42 o  541.336  138.427   5.7399   2.3556   3.7622   4.0662   6.7389   2.8900  441.834  182.030  571.376  156.790 -129.5424 240.2463 
1 1 1   15    5   44 o  1306.72   98.540   30.828   4.0023   34.963   6.9053   28.736   4.9113  1203.46  189.514  1199.39  133.014 4.072510 231.5349 
1 1 1   15    5   46 o  281.671  133.996  -0.8184   3.2328   5.8643   4.0268 -12.9352   5.4223  433.980  180.176  ?   ?  0.000000 180.1763 
1 1 1   15    5   48 o  516.771  156.369   7.3125   2.7465   8.6264   4.7790   6.6645   3.3562  436.178  189.141  444.865  171.096 -8.687134 255.0453 
1 1 1   15    5   50 o  429.151  183.615   9.8474   4.3891   0.0000   0.0000   9.8474   4.3891  ?   ?   429.151  183.615 0.000000 183.6145 
1 1 1   15    6    1 o  2737.87   85.884  118.013   7.3628  120.391   10.425  115.647   10.400  2757.85  120.722  2702.43  122.906 55.42261 172.2779 
1 1 1   15    6    3 o  984.756   99.399   15.458   3.0230   15.525   4.3157   15.393   4.2359  977.222  145.474  973.515  143.242 3.707092 204.1591 
1 1 1   15    6    5 o  1754.19   84.526   48.499   4.6428   46.193   8.0352   49.655   5.6885  1692.71  153.261  1769.18  103.133 -76.46997 184.7306 
1 1 1   15    6    7 o  1867.85   84.504   55.047   4.9424   56.879   8.6086   54.145   6.0363  1878.57  147.536  1845.80  104.873 32.77295 181.0118 
1 1 1   15    6    9 o  649.450   88.549   6.7891   1.7538   4.7704   3.2455   7.6218   2.0843  543.383  170.990  686.455   99.899 -143.0723 198.0340 
1 1 1   15    6   11 o  1183.80   80.978   22.256   2.9836   14.312   5.1839   26.191   3.6485  917.781  186.740  1282.27   91.470 -364.4843 207.9394 
1 1 1   15    6   13 o  1530.46   82.606   37.198   3.9440   35.487   6.8173   38.059   4.8354  1471.06  150.105  1542.89  100.638 -71.83081 180.7194 
1 1 1   15    6   15 o  1009.91   82.672   16.271   2.5914   14.663   3.1745   19.485   4.4865  951.814  108.449  1090.38  134.242 -138.5663 172.5746 
1 1 1   15    6   17 o  642.153   90.291   6.6841   1.7654   5.5599   2.1752   8.8537   3.0218  576.595  124.149  727.341  137.723 -150.7460 185.4204 
1 1 1   15    6   19 o  363.639  107.769   2.1606   1.3146   0.6513   1.6253   5.0166   2.2358  288.949  116.550  544.644  132.389 -255.6949 176.3826 
1 1 1   15    6   21 o  492.097   89.691   3.9888   1.3311   2.8956   1.8182   5.2515   1.9541  418.556  127.355  559.479  115.376 -140.9238 171.8459 
1 1 1   15    6   23 o  581.840   87.964   5.5408   1.5526   5.8650   2.2832   5.2620   2.1175  586.892  127.858  556.246  124.661 30.64539 178.5729 
1 1 1   15    6   25 o  183.964   82.256  -0.3886   0.9709  -0.4377   1.3933  -0.3423   1.3538  223.640   99.362  223.713   98.736 -0.7325745E-01 140.0772 
1 1 1   15    6   27 o  583.898   86.727   5.5707   1.5375   6.4818   2.2630   4.7896   2.0953  620.185  120.877  529.936  127.763 90.24951 175.8827 
1 1 1   15    6   29 f  1618.10   85.261   42.035   4.3046   45.460   7.4021   40.285   5.2914  1645.30  145.166  1572.16  108.145 73.14209 181.0206 
1 1 1   15    6   31 o  819.989  124.904   11.302   3.1057   13.710   3.9454   7.3802   5.0358  894.332  145.920  638.695  213.899 255.6369 258.9308 
1 1 1   15    6   33 o  1407.51  109.951   32.659   4.8073   31.281   6.3715   34.481   7.3250  1345.81  153.967  1399.15  170.737 -53.34741 229.9068 
1 1 1   15    6   35 o  1148.98  121.725   22.207   4.3126   27.889   5.6244   14.099   6.7184  1272.33  143.693  828.930  243.069 443.3956 282.3654 
1 1 1   15    6   37 o  1325.04  187.389   32.591   7.5579   0.0000   0.0000   32.591   7.5579  ?   ?   1325.04  187.389 0.000000 187.3895 
1 1 1   15    6   39 f  472.284  162.155   4.0252   2.8952   1.7091   3.5096   8.9592   5.1225  402.040  167.669  650.925  215.665 -248.8851 273.1739 
1 1 1   15    6   41 o  442.106  191.841   2.7656   4.9230   0.0000   0.0000   2.7656   4.9230  ?   ?   442.106  191.841 0.000000 191.8409 
1 1 1   15    6   43 o  839.222  164.863   15.114   4.1777   19.293   5.3596   8.6433   6.6692  900.838  195.612  521.274  224.738 379.5635 297.9454 
1 1 1   15    6   45 o  505.611  173.806   6.7370   3.3268   9.0951   3.9947   1.4005   6.0094  563.756  190.501  372.767  178.778 190.9890 261.2514 
1 1 1   15    6   47 o  430.211  173.968   5.9516   3.6310   3.9392   4.0586   14.021   8.1271  372.048  167.134  453.466  214.762 -81.41840 272.1328 
1 1 1   15    6   49 o  404.056  200.630   19.646   9.7602   0.0000   0.0000   19.646   9.7602  ?   ?   404.056  200.630 0.000000 200.6300 
1 1 1   15    7    0 o  1778.81   73.061   49.749   4.0694   52.541   5.7694   46.984   5.7408  1821.71  101.546  1721.28  107.044 100.4365 147.5465 
1 1 1   15    7    2 o  2604.00  117.617  107.432   9.5902  107.432   9.5902   0.0000   0.0000  2604.00  117.617  ?   ?  0.000000 117.6171 
1 1 1   15    7    4 o  460.354   86.203   3.4486   1.1969   5.0870   1.7431   1.9868   1.6465  558.475  103.488  364.662  122.307 193.8128 160.2148 
1 1 1   15    7    6 o  853.113   84.092   11.592   2.2171   8.2304   3.9685   13.117   2.6732  699.590  180.092  905.882   95.692 -206.2921 203.9368 
1 1 1   15    7    8 o  1363.68   81.557   29.461   3.4665   26.099   6.0263   31.125   4.2379  1263.31  155.633  1398.34   97.396 -135.0239 183.5963 
1 1 1   15    7   10 f  2063.76  109.085   68.010   7.0242   0.0000   0.0000   68.010   7.0242  ?   ?   2063.76  109.085 0.000000 109.0847 
1 1 1   15    7   12 o  718.390   74.018   8.2350   1.6412   8.1532   2.3444   8.3137   2.2982  707.061  109.427  715.002  105.848 -7.940979 152.2435 
1 1 1   15    7   14 o  496.433   97.232   4.0517   1.4574   2.7530   1.7127   7.4601   2.7745  411.355  123.256  668.132  137.210 -256.7778 184.4414 
1 1 1   15    7   16 o  1587.67   83.773   40.100   4.1499   39.059   7.1164   40.636   5.1084  1540.70  149.389  1591.88  103.038 -51.18274 181.4767 
1 1 1   15    7   18 o  689.303   81.252   7.6451   1.7200   7.5363   2.4850   7.7451   2.3832  673.413  122.356  684.985  115.201 -11.57190 168.0544 
1 1 1   15    7   20 o  920.120   88.318   13.637   2.5133   14.140   3.1374   12.737   4.1989  930.159  109.838  861.897  161.518 68.26172 195.3268 
1 1 1   15    7   22 o  627.352   90.470   6.4286   1.7258   7.2674   2.5468   5.7163   2.3468  655.591  128.656  578.952  132.342 76.63892 184.5718 
1 1 1   15    7   24 o  1025.62   85.536   16.941   2.7219   19.268   4.6179   15.702   3.3694  1070.06  141.277  977.419  112.120 92.63763 180.3616 
1 1 1   15    7   26 o  1281.63   83.012   26.332   3.3134   26.852   5.6850   26.064   4.0776  1264.24  146.315  1266.86  103.701 -2.622559 179.3379 
1 1 1   15    7   28 o  1237.86   83.934   24.588   3.2341   26.629   5.5317   23.529   3.9864  1260.67  142.643  1201.67  107.066 59.00110 178.3536 
1 1 1   15    7   30 o  1139.57  103.671   21.179   3.6588   20.662   5.0209   21.765   5.3428  1102.62  149.260  1128.56  155.307 -25.93811 215.4043 
1 1 1   15    7   32 o  1001.66  110.596   16.570   3.4109   12.772   4.2680   23.284   5.6747  850.666  166.191  1158.90  160.703 -308.2377 231.1812 
1 1 1   15    7   34 o  1724.32   96.459   48.429   5.1872   50.738   6.3015   43.576   9.1355  1750.44  115.621  1550.17  192.340 200.2686 224.4167 
1 1 1   15    7   36 o  2388.82  126.181   95.955   9.4048  100.640   12.959   90.740   13.670  2371.81  175.740  2212.95  199.427 158.8591 265.8112 
1 1 1   15    7   38 o  2032.01  122.528   70.251   7.7596   74.853   10.585   64.905   11.409  2028.41  168.169  1833.90  202.033 194.5065 262.8651 
1 1 1   15    7   40 o  354.709  156.921   0.3103   3.4392  -2.1295   6.3660   1.3159   4.0869  407.194  192.005  400.548  174.301 6.646179 259.3198 
1 1 1   15    7   42 o  873.525  195.455   17.378   5.2125   20.185   8.3065   15.555   6.6948  761.903  273.587  719.719  246.600 42.18359 368.3222 
1 1 1   15    7   44 f  502.416  184.623   6.6728   3.8125   6.9508   4.3608   5.7708   7.8541  496.889  193.930  447.839  211.807 49.05087 287.1780 
1 1 1   15    7   46 o  670.010  223.665   16.194   5.5060   16.194   5.5060   0.0000   0.0000  670.010  223.665  ?   ?  0.000000 223.6654 
1 1 1   15    7   48 o  391.148  194.967   11.646   9.5851   11.646   9.5851   0.0000   0.0000  391.148  194.967  ?   ?  0.000000 194.9669 
1 1 1   15    7   50 o  184.374   89.597  -1.5159   1.6358   0.0000   0.0000  -1.5159   1.6358  ?   ?   184.374   89.597 0.000000 89.59720 
1 1 1   15    8    1 o  2101.21   76.685   69.498   5.0454   70.822   7.1526   68.186   7.1181  2112.75  108.484  2072.56  110.079 40.19336 154.5513 
1 1 1   15    8    3 o  2589.60   83.407  105.730   6.7632  100.929   9.5681  110.523   9.5611  2520.34  121.241  2639.14  115.699 -118.7969 167.5873 
1 1 1   15    8    5 o  2666.85   84.555  112.246   7.0608  106.268   9.9854  118.226   9.9855  2583.18  123.451  2727.01  116.940 -143.8315 170.0448 
1 1 1   15    8    7 o  725.394   85.641   8.4267   1.9077   6.2627   3.3676   9.4493   2.3150  611.929  169.782  766.074   98.811 -154.1458 196.4421 
1 1 1   15    8    9 o  824.752   88.435   10.886   2.2482   6.5580   4.1870   12.639   2.6650  628.532  193.635  887.449   97.510 -258.9174 216.8009 
1 1 1   15    8   11 o  317.357  110.772   1.4390   1.3538   1.0643   3.0867   1.5282   1.5064  390.915  159.536  330.048  116.720 60.86697 197.6749 
1 1 1   15    8   13 o  1665.60   85.392   44.064   4.4386   44.578   7.8188   43.820   5.3915  1649.73  153.104  1655.09  104.571 -5.351929 185.4073 
1 1 1   15    8   15 o  1146.41   72.841   20.854   2.6012   20.790   3.7079   20.917   3.6500  1136.43  105.400  1140.53  103.327 -4.099365 147.5997 
1 1 1   15    8   17 o  476.275  100.775   3.7562   1.4560   3.0635   2.2688   4.2412   1.8985  439.155  143.432  503.164  121.806 -64.00995 188.1738 
1 1 1   15    8   19 o  1227.15   83.830   24.081   3.2019   23.543   5.4255   24.368   3.9662  1187.10  149.260  1227.60  104.166 -40.49792 182.0142 
1 1 1   15    8   21 o  1227.68  148.449   25.299   5.5907   0.0000   0.0000   25.299   5.5907  ?   ?   1227.68  148.449 0.000000 148.4488 
1 1 1   15    8   23 o  430.229  112.494   3.1097   1.5326   2.1966   2.6094   3.5906   1.8936  405.559  152.029  461.097  127.076 -55.53824 198.1446 
1 1 1   15    8   25 o  1798.26   87.294   51.670   4.9153   56.333   8.4929   49.321   6.0274  1837.73  148.869  1742.95  111.018 94.78577 185.7066 
1 1 1   15    8   27 o  322.686  117.814   1.4099   1.5489   2.3452   2.2134   0.5124   2.1684  398.587  141.426  317.177  131.994 81.40964 193.4518 
1 1 1   15    8   29 f  972.829   92.605   15.312   2.7869   18.076   3.4787   10.361   4.6564  1052.21  107.076  758.675  194.958 293.5313 222.4273 
1 1 1   15    8   31 o  1803.27  110.902   53.143   6.2317   58.610   8.6911   47.359   8.9400  1862.12  150.339  1651.02  175.625 211.1014 231.1840 
1 1 1   15    8   33 o  2589.99  126.107  111.171   10.227  111.122   14.097  111.225   14.859  2513.75  180.300  2497.71  191.453 16.03882 262.9872 
1 1 1   15    8   35 o  963.891  118.913   15.571   3.5129   13.652   4.4007   18.942   5.8326  875.070  166.692  1017.15  190.120 -142.0782 252.8472 
1 1 1   15    8   37 o  1733.20   97.614   49.368   5.2760   57.398   6.5260   34.216   8.9644  1854.63  112.913  1316.47  225.583 538.1587 252.2635 
1 1 1   15    8   39 o  234.150  103.196  -0.2195   1.4737  -0.7337   2.3340   0.1214   1.9004  277.807  125.588  276.683  119.625 1.124115 173.4427 
1 1 1   15    8   41 o  573.604  176.378   7.0347   3.4758   7.0347   3.4758   0.0000   0.0000  573.604  176.378  ?   ?  0.000000 176.3776 
1 1 1   15    8   43 o  401.928  138.806   3.2384   2.1230   0.1210   3.8182   4.6334   2.5542  338.942  156.023  464.919  152.205 -125.9771 217.9673 
1 1 1   15    8   45 o  285.938  123.614   0.8514   2.0288   0.0000   0.0000   0.8514   2.0288  ?   ?   285.938  123.614 0.000000 123.6138 
1 1 1   15    8   47 o  801.513  154.382   15.287   3.7340   11.509   9.5178   15.974   4.0595  419.319  206.330  792.048  168.842 -372.7297 266.6082 
1 1 1   15    8   49 o  315.055  133.074   2.3435   2.2548  -9.4887   9.2644   3.0885   2.3247  ?   ?   341.624  138.825 0.000000 138.8251 
1 1 1   15    9    0 o  2152.62   77.924   72.988   5.2523   74.203   7.4609   71.794   7.3954  2161.12  110.624  2125.41  111.512 35.71509 157.0752 
1 1 1   15    9    2 o  1826.58   74.569   52.545   4.2650   47.971   6.0414   57.090   6.0217  1735.46  111.769  1896.48  101.776 -161.0233 151.1649 
1 1 1   15    9    4 o  855.034   73.886   11.603   1.9587   10.226   2.7931   12.934   2.7476  794.143  115.725  898.520   99.318 -104.3779 152.5007 
1 1 1   15    9    6 o  2121.79   78.142   71.029   5.1916   62.065   7.3470   79.969   7.3372  1969.84  119.680  2244.62  104.393 -274.7769 158.8120 
1 1 1   15    9    8 o  1507.14  104.222   36.255   4.8883   36.024   7.0812   36.465   6.7564  1485.61  154.483  1498.02  145.891 -12.40845 212.4836 
1 1 1   15    9   10 o  2428.68  116.514   94.168   8.8606   0.0000   0.0000   94.168   8.8606  ?   ?   2428.68  116.514 0.000000 116.5142 
1 1 1   15    9   12 o  1468.77  102.506   34.485   4.6848   0.0000   0.0000   34.485   4.6848  ?   ?   1468.77  102.506 0.000000 102.5060 
1 1 1   15    9   14 o  391.994  129.421   2.3771   1.8453   0.0000   0.0000   2.3771   1.8453  ?   ?   391.994  129.421 0.000000 129.4207 
1 1 1   15    9   16 o  583.141   96.057   5.5535   1.6929   2.7514   2.6535   7.4769   2.1984  435.349  154.809  675.771  107.493 -240.4226 188.4695 
1 1 1   15    9   18 o  964.388  107.758   15.112   3.1984   0.0000   0.0000   15.112   3.1984  ?   ?   964.388  107.758 0.000000 107.7584 
1 1 1   15    9   20 o  1213.72   84.635   23.587   3.1964   22.766   5.3957   24.030   3.9675  1164.67  151.543  1217.95  105.062 -53.27954 184.3993 
1 1 1   15    9   22 o  367.225  122.781   2.0934   1.6592   1.4264   2.2694   2.8593   2.4320  359.409  140.005  430.625  148.573 -71.21588 204.1451 
1 1 1   15    9   24 o  657.286   95.236   7.0490   1.9030   10.542   3.1654   5.0722   2.3813  794.342  131.891  545.968  138.947 248.3740 191.5765 
1 1 1   15    9   26 o  823.016  107.612   11.077   2.7068   10.107   3.8743   12.001   3.7834  764.617  166.536  842.060  148.938 -77.44348 223.4204 
1 1 1   15    9   28 o  704.490  133.085   8.3674   2.8282   0.0000   0.0000   8.3674   2.8282  ?   ?   704.490  133.085 0.000000 133.0849 
1 1 1   15    9   30 o  480.519  145.207   3.9022   2.3696   3.5373   2.7635   4.9159   4.6053  468.188  158.445  556.996  203.180 -88.80835 257.6566 
1 1 1   15    9   32 f  836.810  111.865   11.595   2.8578   9.0429   3.3018   19.216   5.7055  721.623  150.977  1041.43  181.564 -319.8083 236.1347 
1 1 1   15    9   34 o  990.125  155.620   17.006   4.6656   17.006   4.6656   0.0000   0.0000  990.125  155.620  ?   ?  0.000000 155.6203 
1 1 1   15    9   36 o  1209.06  153.014   25.489   5.6633   25.489   5.6633   0.0000   0.0000  1209.06  153.014  ?   ?  0.000000 153.0141 
1 1 1   15    9   38 o  906.414   97.646   13.708   2.7277   14.312   3.6872   12.978   4.0538  902.771  134.546  840.930  159.795 61.84119 208.8949 
1 1 1   15    9   42 o  818.740  138.812   12.981   3.4316   17.171   8.4500   12.153   3.7551  679.552  268.516  765.615  161.709 -86.06250 313.4495 
1 1 1   15    9   44 f  548.156  168.590   7.1256   3.1755   0.0000   0.0000   7.1256   3.1755  ?   ?   548.156  168.590 0.000000 168.5903 
1 1 1   15    9   46 o  622.538  155.831   9.1211   3.0306   10.560   9.0005   8.9371   3.2185  445.886  215.077  598.049  165.999 -152.1630 271.6872 
1 1 1   15    9   48 o  430.297  153.280   5.0799   2.6024   5.9711   10.039   5.0157   2.6945  367.747  185.482  423.082  155.249 -55.33466 241.8797 
1 1 1   15    9   50 o  328.022  133.622   2.9148   2.1603   11.452   11.325   2.5924   2.2008  ?   ?   315.273  132.225 0.000000 132.2253 
1 1 1   15   10    1 o  1699.32  102.151   45.897   5.4102   56.299   7.7094   35.803   7.5942  1873.66  132.255  1480.94  166.664 392.7141 212.7633 
1 1 1   15   10    3 o  2249.09   91.002   79.971   6.4088   77.131   11.112   81.386   7.8450  2179.61  164.018  2263.66  110.679 -84.04468 197.8678 
1 1 1   15   10    5 o  1269.82   82.642   25.565   3.2681   25.964   5.6647   25.367   4.0010  1263.37  145.876  1260.68  102.237 2.689453 178.1354 
1 1 1   15   10    7 o  1323.75  102.214   27.969   4.2039   0.0000   0.0000   27.969   4.2039  ?   ?   1323.75  102.214 0.000000 102.2138 
1 1 1   15   10    9 o  1810.40   86.147   51.840   4.8835   50.596   8.4066   52.473   5.9996  1763.08  153.816  1813.73  106.104 -50.65149 186.8619 
1 1 1   15   10   11 o  348.894  108.435   1.9312   1.3098   1.2701   2.1491   2.3218   1.6520  350.260  136.297  383.894  122.127 -33.63342 183.0082 
1 1 1   15   10   13 o  563.303  116.553   5.2557   1.9880   0.8784   4.0904   6.6095   2.2748  431.828  180.630  632.728  119.188 -200.9005 216.4092 
1 1 1   15   10   15 f  1041.17  107.359   17.503   3.4499   0.0000   0.0000   17.503   3.4499  ?   ?   1041.17  107.359 0.000000 107.3592 
1 1 1   15   10   17 o  396.294  126.745   2.5037   1.7775  -1.7649   3.9146   3.6124   1.9950  358.462  162.294  465.280  131.244 -106.8182 208.7204 
1 1 1   15   10   19 o  726.557   82.126   8.4955   1.8356   7.8791   2.7576   8.9859   2.4597  684.839  133.391  740.082  109.442 -55.24298 172.5418 
1 1 1   15   10   21 o  1066.50   81.866   18.190   2.7130   12.126   3.8123   24.413   3.8618  847.482  149.105  1230.10  101.158 -382.6226 180.1809 
1 1 1   15   10   23 o  317.351  112.410   1.4278   1.3977   1.5399   1.8973   1.2948   2.0670  347.555  129.762  344.571  133.783 2.983917 186.3763 
1 1 1   15   10   25 o  786.305   97.500   10.029   2.3491   8.8586   2.9910   11.912   3.7948  726.471  136.498  840.346  149.705 -113.8749 202.5917 
1 1 1   15   10   27 o  1425.10   88.256   32.512   3.9189   29.823   4.9312   37.122   6.4563  1353.13  117.554  1499.59  139.079 -146.4640 182.1041 
1 1 1   15   10   29 o  969.367  104.918   15.311   3.1338   16.090   4.4141   14.519   4.4498  975.515  149.255  920.763  160.153 54.75201 218.9203 
1 1 1   15   10   31 o  1198.78  119.273   23.667   4.4177   23.667   4.4177   0.0000   0.0000  1198.78  119.273  ?   ?  0.000000 119.2731 
1 1 1   15   10   33 o  1335.66  120.359   29.479   4.9797   29.479   4.9797   0.0000   0.0000  1335.66  120.359  ?   ?  0.000000 120.3591 
1 1 1   15   10   35 o  1297.56  115.467   27.907   4.6424   29.002   6.0799   26.378   7.1892  1297.10  152.613  1200.61  198.147 96.49048 250.1061 
1 1 1   15   10   37 o  646.455  103.319   7.0400   2.0210   10.235   3.0204   4.4503   2.7194  767.944  130.263  498.903  156.442 269.0409 203.5745 
1 1 1   15   10   39 o  1288.17  109.664   28.422   4.3813   28.088   5.1909   29.249   8.1696  1254.58  134.219  1148.51  235.085 106.0732 270.7022 
1 1 1   15   10   41 o  265.564  109.960   0.6265   1.4940   2.3544   2.3628  -0.5247   1.9285  374.445  143.666  251.513  113.889 122.9324 183.3318 
1 1 1   15   10   43 o  1120.19  105.260   22.626   3.6488   20.167   4.9601   25.525   5.3866  963.909  170.579  1101.83  160.869 -137.9222 234.4699 
1 1 1   15   10   45 o  233.956  106.295  -0.2880   1.6973   0.0000   0.0000  -0.2880   1.6973  ?   ?   233.956  106.295 0.000000 106.2952 
1 1 1   15   10   47 o  382.993  145.774   3.5438   2.4205   0.0000   0.0000   3.5438   2.4205  ?   ?   382.993  145.774 0.000000 145.7742 
1 1 1   15   10   49 o  470.713  155.483   6.3228   2.6632   21.520   10.865   5.3513   2.7470  414.337  206.693  421.740  156.400 -7.403473 259.1971 
1 1 1   15   11    0 o  2040.82  109.630   66.285   6.9800   67.169   9.8914   65.408   9.8512  2037.60  156.222  2009.91  157.798 27.69177 222.0485 
1 1 1   15   11    2 o  1175.11   82.412   21.896   3.0132   18.103   5.1660   23.852   3.7096  1047.97  162.705  1223.69   97.627 -175.7190 189.7466 
1 1 1   15   11    4 o  877.636   84.680   12.273   2.2982   12.766   3.9309   12.017   2.8328  880.420  147.830  863.852  107.016 16.56775 182.4997 
1 1 1   15   11    6 o  529.842  110.660   4.6239   1.7767   3.6890   3.6383   4.9166   2.0360  507.869  181.202  544.877  122.328 -37.00812 218.6281 
1 1 1   15   11    8 o  1664.22   84.860   43.884   4.4074   52.648   7.6711   39.566   5.3849  1806.88  136.594  1573.53  109.983 233.3494 175.3687 
1 1 1   15   11   10 o  664.601   85.544   7.0985   1.7389   6.8929   2.5575   7.2751   2.3713  644.666  131.158  665.755  118.076 -21.08899 176.4778 
1 1 1   15   11   12 o  708.107   87.072   8.0581   1.8899   9.3463   2.6744   6.7730   2.6712  756.393  116.668  636.742  137.963 119.6506 180.6797 
1 1 1   15   11   14 o  580.781  110.260   5.5627   1.9318   6.3772   2.8857   4.9013   2.6005  614.185  151.090  540.362  148.915 73.82312 212.1415 
1 1 1   15   11   16 o  1191.33  114.574   22.993   4.2213   0.0000   0.0000   22.993   4.2213  ?   ?   1191.33  114.574 0.000000 114.5738 
1 1 1   15   11   18 o  877.871  123.588   12.674   3.3032   0.0000   0.0000   12.674   3.3032  ?   ?   877.871  123.588 0.000000 123.5876 
1 1 1   15   11   20 o  361.702  130.497   1.8155   1.8922   0.9313   4.0223   2.0668   2.1443  426.802  178.867  384.614  138.894 42.18887 226.4618 
1 1 1   15   11   22 o  1424.13  103.564   32.605   4.5866   30.329   6.4820   34.887   6.4909  1351.14  156.083  1456.02  144.270 -104.8809 212.5455 
1 1 1   15   11   24 o  893.071   94.807   12.852   2.6107   12.734   3.3113   13.045   4.2439  880.431  123.510  878.179  160.239 2.252625 202.3149 
1 1 1   15   11   26 o  2344.90   96.368   87.847   7.0758   73.315   8.7142  115.972   12.123  2120.11  131.920  2656.30  146.315 -536.1887 197.0052 
1 1 1   15   11   28 o  1320.02   90.030   27.945   3.6990   26.552   4.6871   30.246   6.0229  1275.40  118.730  1348.97  144.858 -73.57178 187.2985 
1 1 1   15   11   30 o  1097.00   93.092   19.415   3.1675   20.636   5.0543   18.625   4.0647  1106.53  149.721  1062.08  124.590 44.44714 194.7797 
1 1 1   15   11   32 o  759.416  123.665   9.6502   2.8394   8.4880   3.2108   13.821   6.0822  701.104  150.739  861.262  223.573 -160.1577 269.6425 
1 1 1   15   11   34 o  2582.34  104.545  108.368   8.4535  118.316   10.385   88.835   14.553  2678.60  123.820  2208.65  213.074 469.9468 246.4382 
1 1 1   15   11   36 o  1133.99  102.621   21.232   3.6044   26.511   4.3622   9.8715   6.3990  1262.34  111.507  699.957  241.027 562.3870 265.5704 
1 1 1   15   11   38 o  1337.81   87.788   29.516   3.6570   34.269   5.3265   25.277   5.0299  1409.86  121.853  1195.71  136.805 214.1511 183.2041 
1 1 1   15   11   40 o  723.301  106.243   9.1402   2.3345   9.7669   3.3823   8.5699   3.2263  707.291  156.832  659.838  158.201 47.45355 222.7641 
1 1 1   15   11   42 o  1239.04   92.181   26.493   3.5508   28.538   5.0882   24.551   4.9575  1224.66  134.928  1121.55  144.527 103.1045 197.7211 
1 1 1   15   11   44 o  409.611  132.793   3.4200   1.9462   3.3286   2.9955   3.4868   2.5601  399.608  159.247  405.990  150.900 -6.382050 219.3862 
1 1 1   15   11   46 o  461.665  160.369   5.3218   2.8358   1.5049   10.374   5.6300   2.9481  392.921  196.897  470.754  163.513 -77.83264 255.9392 
1 1 1   15   11   48 o  265.314  117.633   0.6837   1.9431 -13.5501   10.884   1.1524   1.9748  ?   ?   281.768  121.884 0.000000 121.8841 
1 1 1   15   12    1 o  1387.95   84.911   30.517   3.6725   31.091   4.5293   29.416   6.2748  1396.89  104.303  1345.52  151.574 51.36780 183.9938 
1 1 1   15   12    3 o  680.041   98.317   7.4675   2.0328   10.881   2.5553   1.5828   3.3548  822.821  101.318  422.711  168.503 400.1096 196.6181 
1 1 1   15   12    5 o  391.099  125.844   2.3830   1.7503   0.3993   2.3547   4.8323   2.6165  328.971  137.279  540.027  149.590 -211.0558 203.0342 
1 1 1   15   12    7 o  1545.02   86.477   37.843   4.1668   39.187   5.1463   35.286   7.0999  1567.60  105.456  1470.97  156.552 96.63245 188.7578 
1 1 1   15   12    9 o  1824.68  110.895   53.191   6.3059   60.980   8.8089   45.005   9.0312  1940.32  146.059  1651.91  177.377 288.4113 229.7729 
1 1 1   15   12   11 o  1451.75   89.048   33.513   4.0284   35.444   4.8875   29.424   7.1138  1488.56  105.543  1330.63  174.978 157.9299 204.3446 
1 1 1   15   12   13 o  1205.32  107.917   23.369   4.0299   23.714   5.3937   22.933   6.0630  1201.14  146.442  1171.41  170.282 29.73364 224.5910 
1 1 1   15   12   15 o  610.665  122.193   6.1980   2.2549   5.0090   2.9572   7.8498   3.4855  547.044  161.506  678.211  165.572 -131.1671 231.2967 
1 1 1   15   12   17 o  164.934   80.389  -2.4202   1.3441  -4.1648   1.6980   0.5077   2.1998  167.427   83.227  321.157  133.239 -153.7303 157.0966 
1 1 1   15   12   19 o  748.282  135.510   9.3200   3.0582   7.9429   5.0093   10.138   3.8612  680.804  212.138  772.026  164.747 -91.22156 268.5966 
1 1 1   15   12   21 o  1147.42  154.031   21.826   5.3944   0.0000   0.0000   21.826   5.3944  ?   ?   1147.42  154.031 0.000000 154.0315 
1 1 1   15   12   23 o  847.562  107.746   11.660   2.7949   6.9798   3.8672   16.776   4.0438  639.220  183.552  1011.71  130.704 -372.4915 225.3326 
1 1 1   15   12   25 o  2024.64   83.776   65.077   5.3111   59.585   7.4913   70.628   7.5309  1917.21  125.480  2093.39  115.334 -176.1738 170.4323 
1 1 1   15   12   27 o  768.684   92.270   9.5526   2.1765   9.4463   3.0217   9.6672   3.1376  752.116  133.182  759.811  136.917 -7.694946 191.0074 
1 1 1   15   12   29 o  886.796   88.488   12.666   2.4243   8.8258   3.4508   16.408   3.4065  716.639  158.031  1003.36  110.245 -286.7175 192.6855 
1 1 1   15   12   31 o  1972.54  101.111   62.742   6.2242   65.992   7.5105   55.618   11.121  2011.42  119.790  1780.91  203.067 230.5150 235.7668 
1 1 1   15   12   33 o  432.030  146.701   2.9686   2.3691   4.5080   2.5977  -4.6400   5.7751  512.722  151.371  391.624  184.115 121.0986 238.3514 
1 1 1   15   12   35 o  1067.70  108.361   18.847   3.5726   19.574   4.2865   17.192   6.4648  1076.33  129.807  944.233  222.334 132.0981 257.4536 
1 1 1   15   12   37 o  687.081  151.389   8.5916   3.1691   12.697   3.5902  -5.8955   6.7441  846.943  140.289  392.911  188.691 454.0326 235.1286 
1 1 1   15   12   39 o  558.563  160.713   6.0818   2.9620   5.0086   3.1765   13.232   8.1993  506.482  169.882  693.756  267.261 -187.2747 316.6832 
1 1 1   15   12   41 o  703.724  150.665   9.7249   3.2198   7.5444   3.4222   26.541   9.5035  595.501  173.154  894.731  293.622 -299.2297 340.8755 
1 1 1   15   12   43 o  520.970  161.755   5.9514   2.9153   6.4133   3.0799   1.9730   9.0393  536.507  166.206  443.678  214.390 92.82849 271.2697 
1 1 1   15   12   45 o  456.271  210.986   6.7962   7.0976   10.927   10.514   3.3379   9.6205  477.995  231.034  423.483  208.197 54.51288 311.0027 
1 1 1   15   12   47 o  488.114  224.808   13.874   7.9409   22.050   11.573   6.5998   10.916  487.765  237.327  403.011  201.956 84.75412 311.6251 
1 1 1   15   13    0 o  1562.20   85.722   38.631   4.1772   41.083   5.1671   34.006   7.0968  1607.28  103.214  1445.67  159.427 161.6171 189.9213 
1 1 1   15   13    2 o  2597.65   99.247  106.822   8.0727  109.425   9.8680  101.557   14.036  2622.38  120.175  2495.32  180.871 127.0559 217.1556 
1 1 1   15   13    4 o  1747.93   88.219   48.391   4.8128   46.856   5.8693   51.543   8.4087  1714.45  109.910  1784.41  151.939 -69.96008 187.5255 
1 1 1   15   13    6 f  892.326   96.623   12.753   2.6566   15.948   3.1997   5.6637   4.7665  997.388  103.982  605.822  208.057 391.5656 232.5937 
1 1 1   15   13    8 o  1052.95  149.672   18.201   4.7959   18.201   4.7959   0.0000   0.0000  1052.95  149.672  ?   ?  0.000000 149.6722 
1 1 1   15   13   10 o  1023.97  113.251   16.919   3.5703   16.919   3.5703   0.0000   0.0000  1023.97  113.251  ?   ?  0.000000 113.2505 
1 1 1   15   13   12 o  287.884  123.049   0.0000   1.9676   0.0000   1.9676   0.0000   0.0000  287.884  123.049  ?   ?  0.000000 123.0495 
1 1 1   15   13   14 o  1437.61  108.099   33.170   4.8305   33.170   4.8305   0.0000   0.0000  1437.61  108.099  ?   ?  0.000000 108.0988 
1 1 1   15   13   16 o  352.486  136.687   1.3293   2.1556   1.3293   2.1556   0.0000   0.0000  352.486  136.687  ?   ?  0.000000 136.6871 
1 1 1   15   13   18 o  665.830  145.572   7.4412   2.9504   9.0380   3.6859   4.5934   4.9223  730.205  165.081  569.122  209.682 161.0830 266.8678 
1 1 1   15   13   20 o  652.357  145.982   7.1458   2.9075   6.8617   3.5341   7.7409   5.1143  636.104  172.903  678.259  214.788 -42.15533 275.7340 
1 1 1   15   13   22 o  808.332  158.805   10.988   3.8761   18.506   5.3790   2.8673   5.5904  1051.10  169.174  539.226  216.628 511.8738 274.8596 
1 1 1   15   13   24 o  792.200  224.163   11.050   5.8105   11.050   5.8105   0.0000   0.0000  792.200  224.163  ?   ?  0.000000 224.1635 
1 1 1   15   13   26 o  603.050  150.071   6.1745   2.8224   6.1745   2.8224   0.0000   0.0000  603.050  150.071  ?   ?  0.000000 150.0706 
1 1 1   15   13   28 o  589.578  224.541   4.8891   5.7451   4.8891   5.7451   0.0000   0.0000  589.578  224.541  ?   ?  0.000000 224.5411 
1 1 1   15   13   30 o  1043.95  150.551   18.293   4.7791   18.293   4.7791   0.0000   0.0000  1043.95  150.551  ?   ?  0.000000 150.5512 
1 1 1   15   13   32 o  784.066  126.633   10.272   3.0030   9.0290   3.3516   15.333   6.7623  724.447  152.573  905.042  236.133 -180.5945 281.1352 
1 1 1   15   13   34 o  1589.65  104.896   41.278   5.1919   46.322   6.1243   28.391   9.7891  1675.65  117.466  1186.07  269.681 489.5833 294.1533 
1 1 1   15   13   36 o  495.872  204.030   3.2050   5.1003  -5.6252   8.0920   9.0248   6.5694  441.424  210.547  664.873  242.648 -223.4493 321.2603 
1 1 1   15   13   38 o  1124.78  118.409   21.880   4.1077   20.115   4.6246   28.475   8.9412  1055.57  143.649  1099.67  263.178 -44.10132 299.8295 
1 1 1   15   13   40 o  918.577  127.003   15.251   3.5552   12.915   3.8154   30.649   9.7966  819.254  154.393  1030.83  290.853 -211.5720 329.2918 
1 1 1   15   13   42 o  306.332  131.449   0.7286   2.2612   1.0710   2.3345  -4.4727   9.0980  320.926  135.471  410.836  202.074 -89.91043 243.2825 
1 1 1   15   13   44 o  518.342  230.338   9.5020   7.4909   4.4197   10.377   15.031   10.824  456.293  222.610  545.422  255.020 -89.12927 338.5125 
1 1 1   15   13   46 o  382.313  156.614   3.2053   2.9887   4.4290   3.1069 -11.9602   10.938  424.046  164.192  ?   ?  0.000000 164.1924 
1 1 1   15   14    1 o  286.122  125.990  -0.5713   2.1917  -0.5713   2.1917   0.0000   0.0000  286.122  125.990  ?   ?  0.000000 125.9897 
1 1 1   15   14    3 o  1288.87  109.068   26.550   4.3604   26.550   4.3604   0.0000   0.0000  1288.87  109.068  ?   ?  0.000000 109.0676 
1 1 1   15   14    5 o  514.034  193.310   3.3549   4.2255   3.3549   4.2255   0.0000   0.0000  514.034  193.310  ?   ?  0.000000 193.3101 
1 1 1   15   14    7 o  1146.44  114.853   21.136   4.0675   21.136   4.0675   0.0000   0.0000  1146.44  114.853  ?   ?  0.000000 114.8531 
1 1 1   15   14    9 o  476.497  161.561   3.4656   2.8733   3.4656   2.8733   0.0000   0.0000  476.497  161.561  ?   ?  0.000000 161.5609 
1 1 1   15   14   11 o  626.914  118.391   6.4760   2.2389   5.2583   2.6260   9.7172   4.2842  560.438  147.596  754.930  183.114 -194.4921 235.1922 
1 1 1   15   14   13 o  1139.15   96.305   20.739   3.4030   23.289   4.0221   14.315   6.3836  1204.65  107.768  905.356  225.911 299.2966 250.2994 
1 1 1   15   14   15 o  983.169  117.690   15.647   3.5511   15.611   4.5033   15.705   5.7746  971.401  153.124  958.543  198.911 12.85797 251.0227 
1 1 1   15   14   17 o  857.498  120.304   11.961   3.1413   11.072   3.8792   13.655   5.3539  814.039  157.885  893.998  196.607 -79.95935 252.1548 
1 1 1   15   14   19 o  1231.93   97.150   24.224   3.7171   23.127   4.3662   27.111   7.0855  1198.14  117.908  1274.87  182.722 -76.73413 217.4615 
1 1 1   15   14   21 o  1082.55  101.494   18.786   3.4002   16.472   3.9912   24.913   6.4932  1005.41  129.808  1223.30  174.459 -217.8835 217.4535 
1 1 1   15   14   23 o  406.962  167.745   1.0277   3.4551   1.4693   4.9852   0.6195   4.7930  483.563  200.594  455.345  193.266 28.21835 278.5493 
1 1 1   15   14   25 o  643.090  227.822   6.5213   5.7414   6.5213   5.7414   0.0000   0.0000  643.090  227.822  ?   ?  0.000000 227.8219 
1 1 1   15   14   27 o  612.372  196.155   6.2853   4.2561  -0.7203   6.3708   11.932   5.7199  486.329  214.441  820.390  218.685 -334.0609 306.2810 
1 1 1   15   14   29 o  1192.51  107.345   22.983   3.9653   22.256   4.6583   24.897   7.5561  1164.99  129.913  1192.98  209.945 -27.99146 246.8887 
1 1 1   15   14   31 o  1147.52  107.635   21.383   3.8223   21.579   4.4480   20.830   7.4742  1145.32  126.118  1069.26  230.061 76.06213 262.3615 
1 1 1   15   14   33 o  1116.95  113.072   20.520   3.9001   27.244   4.4898  -0.1560   7.8729  1288.76  112.384  526.584  234.928 762.1706 260.4256 
1 1 1   15   14   35 o  834.680  132.800   11.990   3.3546   10.548   3.7180   18.302   7.7799  766.811  160.019  930.151  258.052 -163.3400 303.6397 
1 1 1   15   14   37 o  716.023  152.128   9.3971   3.3056   11.199   3.5460  -2.5520   9.1324  785.147  149.699  485.076  229.106 300.0714 273.6770 
1 1 1   15   14   39 o  628.953  242.537   9.6488   6.7577  -1.4942   9.6283   20.467   9.4870  480.938  229.469  828.234  292.913 -347.2964 372.0942 
1 1 1   15   14   41 o  276.602  125.076  -0.4849   2.3168  -0.5296   2.3901   0.2098   9.4224  279.458  126.643  467.763  224.212 -188.3045 257.5060 
1 1 1   15   14   43 o  515.002  244.094   8.4070   10.538   0.0000   0.0000   8.4070   10.538  ?   ?   515.002  244.094 0.000000 244.0938 
1 1 1   15   14   45 o  508.452  170.417   6.2316   3.1965   6.1627   3.3427   6.9683   10.930  500.474  174.096  459.815  225.208 40.65839 284.6548 
1 1 1   15   15    0 f  2741.60  126.195  119.826   10.833  119.826   10.833   0.0000   0.0000  2741.60  126.195  ?   ?  0.000000 126.1946 
1 1 1   15   15    2 o  2044.92  114.485   66.683   7.3012   66.683   7.3012   0.0000   0.0000  2044.92  114.485  ?   ?  0.000000 114.4849 
1 1 1   15   15    4 o  912.723  131.858   13.577   3.6592   15.676   5.4678   11.873   4.9245  965.194  187.676  836.516  192.061 128.6782 268.5324 
1 1 1   15   15    6 o  939.869  100.019   14.158   2.8983   13.465   3.4324   15.878   5.4100  910.773  123.545  971.892  184.522 -61.11816 222.0620 
1 1 1   15   15    8 o  1567.07   93.621   39.021   4.5728   41.183   5.5077   34.224   8.2044  1605.56  110.220  1435.76  186.926 169.8054 217.0020 
1 1 1   15   15   10 o  854.512  127.558   11.914   3.3085   13.949   4.1822   8.5098   5.4090  919.465  150.467  712.109  220.202 207.3565 266.7001 
1 1 1   15   15   12 o  529.087  151.478   4.6251   2.6373   7.1786   3.1530  -1.3224   4.8120  654.324  156.078  416.768  184.935 237.5553 241.9945 
1 1 1   15   15   14 o  1073.10  151.386   18.872   4.9455   18.872   4.9455   0.0000   0.0000  1073.10  151.386  ?   ?  0.000000 151.3858 
1 1 1   15   15   16 o  655.200  125.938   7.0715   2.4899   9.3439   2.8404  -0.4690   5.1740  756.017  124.307  450.958  196.177 305.0591 232.2443 
1 1 1   15   15   18 o  1154.07   97.513   21.248   3.4908   19.526   4.0826   25.930   6.7316  1100.51  120.442  1251.58  176.682 -151.0751 213.8292 
1 1 1   15   15   20 o  1175.40   98.026   22.056   3.5749   24.636   4.2323   15.634   6.6783  1239.63  110.185  949.051  227.655 290.5792 252.9178 
1 1 1   15   15   22 o  1451.25   98.122   33.589   4.4327   33.369   5.2463   34.140   8.2870  1440.83  117.302  1428.60  189.965 12.23328 223.2634 
1 1 1   15   15   24 o  549.577  146.090   5.0634   2.5572   1.9516   2.8840   16.505   5.5303  412.523  158.618  985.765  185.985 -573.2421 244.4382 
1 1 1   15   15   26 o  1105.24  233.973   21.572   7.8450   21.572   7.8450   0.0000   0.0000  1105.24  233.973  ?   ?  0.000000 233.9729 
1 1 1   15   15   28 f  446.231  184.575   1.3127   4.2033  -1.0235   6.1417   3.3710   5.7650  472.978  209.449  553.960  220.868 -80.98270 304.3873 
1 1 1   15   15   30 o  1092.29  169.698   20.266   5.6157   28.590   8.4528   13.689   7.5135  1270.45  220.480  859.297  258.320 411.1517 339.6188 
1 1 1   15   15   32 o  754.378  130.354   9.5829   2.9678   7.3584   3.2983   19.043   6.8020  648.523  162.697  1017.94  219.834 -369.4144 273.4911 
1 1 1   15   15   34 o  1188.59  134.449   23.973   4.9159   26.638   5.8156   17.303   9.2006  1239.99  153.028  885.817  288.818 354.1772 326.8541 
1 1 1   15   15   36 o  651.070  158.427   7.7888   3.1991   6.7819   3.4559   13.818   8.4567  600.128  173.865  766.107  275.948 -165.9788 326.1534 
1 1 1   15   15   38 o  513.951  160.483   4.9910   2.8651   3.4509   3.0089   19.957   9.3796  446.570  164.028  851.507  291.889 -404.9377 334.8196 
1 1 1   15   15   40 o  515.504  166.482   5.3029   3.0611   5.3029   3.0611   0.0000   0.0000  515.504  166.482  ?   ?  0.000000 166.4816 
1 1 1   15   15   42 o  694.883  258.621   15.173   7.5246   9.3936   10.344   21.668   10.966  553.498  255.512  713.064  296.791 -159.5657 391.6267 
1 1 1   15   15   44 o  396.443  152.876   3.0721   2.6849   2.4977   2.7833   10.762   10.184  376.121  152.236  523.684  245.652 -147.5630 288.9994 
1 1 1   15   16    1 o  1071.85  182.700   19.126   5.9119   19.126   5.9119   0.0000   0.0000  1071.85  182.700  ?   ?  0.000000 182.6996 
1 1 1   15   16    3 o  305.759  137.296  -1.2129   2.7358   0.5982   3.7699  -3.2277   3.9762  412.632  173.059  338.752  157.092 73.87964 233.7245 
1 1 1   15   16    5 o  445.495  133.848   3.2051   2.0176   4.0257   2.2612  -0.0000   4.4689  494.834  139.776  430.522  184.767 64.31192 231.6812 
1 1 1   15   16    7 o  424.301  156.569   2.3270   2.7462   2.3270   2.7462   0.0000   0.0000  424.301  156.569  ?   ?  0.000000 156.5692 
1 1 1   15   16    9 o  1278.93   95.427   26.007   3.7940   27.288   4.4961   22.840   7.0703  1306.77  110.930  1167.57  200.622 139.1965 229.2474 
1 1 1   15   16   11 o  774.307  132.473   9.8171   3.0964   8.3685   3.7847   12.750   5.3851  706.234  172.603  867.228  202.056 -160.9940 265.7414 
1 1 1   15   16   13 o  901.173  113.515   13.084   3.1321   12.103   3.6642   15.745   6.0350  859.633  141.020  964.476  206.089 -104.8435 249.7184 
1 1 1   15   16   15 o  682.353  126.537   7.6419   2.6041   8.2852   2.9968   5.6583   5.2620  708.209  140.098  617.946  218.189 90.26282 259.2949 
1 1 1   15   16   17 o  781.123  116.865   9.9038   2.7706   10.121   3.1975   9.2499   5.5498  785.535  134.852  741.655  221.799 43.87988 259.5762 
1 1 1   15   16   19 o  327.693  131.884   0.8181   2.0761   1.6157   2.3048  -2.6128   4.7804  374.157  142.288  391.259  178.004 -17.10239 227.8839 
1 1 1   15   16   21 o  570.339  147.023   5.4336   2.6423   7.0064   3.0005   0.0001   5.5769  646.823  150.907  476.671  205.510 170.1519 254.9653 
1 1 1   15   16   23 o  1237.03  118.955   24.655   4.5508   24.655   4.5508   0.0000   0.0000  1237.03  118.955  ?   ?  0.000000 118.9548 
1 1 1   15   16   25 o  635.165  135.430   6.7269   2.6112   6.0638   2.8792   9.8009   6.1988  600.289  152.787  755.967  236.055 -155.6780 281.1870 
1 1 1   15   16   27 o  542.148  160.921   4.8926   2.9295   4.8926   2.9295   0.0000   0.0000  542.148  160.921  ?   ?  0.000000 160.9208 
1 1 1   15   16   29 o  763.268  254.146   10.258   7.1104   0.0000   0.0000   10.258   7.1104  ?   ?   763.268  254.146 0.000000 254.1463 
1 1 1   15   16   31 o  1460.82  212.857   38.010   9.4503   0.0000   0.0000   38.010   9.4503  ?   ?   1460.82  212.857 0.000000 212.8570 
1 1 1   15   16   33 o  342.237  170.697 -16.3950   7.3969   0.0000   0.0000 -16.3950   7.3969  ?   ?   342.237  170.697 0.000000 170.6967 
1 1 1   15   16   35 o  339.947  140.641   0.9054   2.4412   2.2429   2.5363 -15.9331   8.9989  395.938  149.576  387.636  192.505 8.302277 243.7852 
1 1 1   15   16   37 o  516.404  162.446   4.9427   2.9295   3.2128   3.0683   22.778   9.8524  442.926  165.088  936.186  298.292 -493.2603 340.9279 
1 1 1   15   16   39 o  207.845  100.306  -2.6753   1.9637  -2.6753   1.9637   0.0000   0.0000  207.845  100.306  ?   ?  0.000000 100.3061 
1 1 1   15   16   41 o  715.786  256.918   14.520   7.3244   12.484   9.5653   17.406   11.388  629.112  270.165  679.502  293.313 -50.39081 398.7758 
1 1 1   15   16   43 o  536.015  161.527   6.0742   2.9352   6.3792   3.0363   1.7246   11.467  547.070  164.158  476.384  232.758 70.68576 284.8237 
1 1 1   15   17    0 o  1944.59  115.909   60.200   7.0256   67.713   10.112   53.191   9.7681  2048.31  158.910  1808.24  174.694 240.0632 236.1571 
1 1 1   15   17    2 o  325.367  150.408  -2.8275   3.6029  -2.8275   3.6029   0.0000   0.0000  325.367  150.408  ?   ?  0.000000 150.4077 
1 1 1   15   17    4 o  517.349  171.286   4.1295   3.2314   8.6345   4.4055  -1.1169   4.7543  717.425  192.227  420.585  185.360 296.8405 267.0384 
1 1 1   15   17    6 o  371.713  158.040   0.1256   3.2147  -0.2170   4.5699   0.4613   4.5229  431.720  186.082  445.703  188.376 -13.98331 264.7870 
1 1 1   15   17    8 o  770.365  220.384   9.9624   5.5846   0.0000   0.0000   9.9624   5.5846  ?   ?   770.365  220.384 0.000000 220.3841 
1 1 1   15   17   10 o  240.301  110.454  -1.4059   1.9040  -0.8882   2.1018  -3.7753   4.4963  270.461  120.970  358.650  166.574 -88.18936 205.8656 
1 1 1   15   17   12 o  586.389  134.464   5.6869   2.4163   4.6104   2.7248   9.6506   5.2283  531.263  154.514  758.012  211.991 -226.7485 262.3258 
1 1 1   15   17   14 o  491.104  180.559   3.1713   3.6472   5.8457   5.3042   0.7729   5.0230  626.548  219.231  474.724  199.464 151.8240 296.3923 
1 1 1   15   17   16 o  349.268  135.041   1.2763   2.0992   2.2037   2.3199  -2.9153   4.9319  402.307  144.570  394.659  180.035 7.647919 230.8962 
1 1 1   15   17   18 o  969.852  113.298   15.129   3.3758   13.909   3.9094   18.705   6.6940  922.982  139.632  1050.96  210.750 -127.9810 252.8096 
1 1 1   15   17   20 o  1060.92  122.214   18.157   3.9857   16.683   4.8653   21.166   6.9502  1005.88  159.815  1119.64  205.828 -113.7614 260.5880 
1 1 1   15   17   22 o  690.893  128.253   7.8593   2.6724   6.6125   2.9602   13.353   6.2136  628.554  152.058  879.329  224.802 -250.7745 271.3996 
1 1 1   15   17   24 o  919.867  134.574   13.837   3.7615   14.692   4.4246   11.609   7.1439  942.119  155.404  820.410  252.961 121.7092 296.8829 
1 1 1   15   17   26 o  1130.53  129.610   20.777   4.5053   24.015   5.4216   13.553   8.0987  1210.77  145.946  874.221  269.298 336.5479 306.3032 
1 1 1   15   17   28 o  744.582  144.970   9.3033   3.2583   8.0277   3.6572   14.213   7.1752  684.320  171.124  886.724  248.468 -202.4047 301.6949 
1 1 1   15   17   30 o  935.664  123.557   14.452   3.5314   15.038   3.8877   11.691   8.4446  950.411  134.383  795.096  276.709 155.3140 307.6144 
1 1 1   15   17   32 o  998.775  217.431   18.583   6.6070   8.3968   9.6540   27.558   9.0616  705.843  284.283  1193.07  250.538 -487.2253 378.9276 
1 1 1   15   17   34 o  611.289  261.911   4.9099   8.9530   0.0000   0.0000   4.9099   8.9530  ?   ?   611.289  261.911 0.000000 261.9115 
1 1 1   15   17   36 o  368.851  149.985   1.4228   2.7157   1.3527   2.8376   2.1866   9.3670  371.496  152.441  556.858  251.679 -185.3625 294.2458 
1 1 1   15   17   38 o  895.776  145.628   14.510   3.9444   14.958   4.2333   11.561   10.863  901.519  155.587  673.497  288.534 228.0222 327.8095 
1 1 1   15   17   40 o  489.573  219.435   2.8190   6.9546   4.1287   8.8701   0.7290   11.205  530.978  241.918  518.770  247.526 12.20776 346.1117 
1 1 1   15   17   42 o  328.608  138.851   1.0267   2.4563   1.0267   2.4563   0.0000   0.0000  328.608  138.851  ?   ?  0.000000 138.8513 
1 1 1   15   18    1 o  896.440  146.428   13.111   3.9683   14.307   5.4449   11.756   5.7954  925.861  194.023  835.454  218.903 90.40747 292.5125 
1 1 1   15   18    3 o  772.298  162.441   9.8749   3.8037   9.0549   5.2217   10.802   5.5521  738.581  213.637  802.189  216.160 -63.60822 303.9178 
1 1 1   15   18    5 o  1162.38  130.572   21.695   4.6702   23.051   6.4731   20.222   6.7447  1186.03  179.950  1102.95  202.766 83.07996 271.1015 
1 1 1   15   18    7 o  459.984  174.399   2.4683   3.4559   7.8445   4.7200  -3.7443   5.0738  690.442  204.099  389.299  179.445 301.1426 271.7658 
1 1 1   15   18    9 o  326.003  147.823  -1.8217   3.2619  -8.2045   4.5197   5.1172   4.7125  300.879  146.816  591.422  206.658 -290.5434 253.5007 
1 1 1   15   18   11 o  905.792  160.944   13.488   4.3975   13.002   6.3574   13.933   6.0894  876.456  229.091  908.436  217.042 -31.98010 315.5786 
1 1 1   15   18   13 o  281.133  133.967  -4.1809   3.2600   4.7461   4.4866 -14.1656   4.7449  572.312  201.538  260.067  130.702 312.2443 240.2090 
1 1 1   15   18   15 o  763.667  129.117   9.5152   2.9774   11.281   3.4333   4.1589   5.9796  831.352  136.637  594.713  228.460 236.6394 266.2022 
1 1 1   15   18   17 o  1141.99  111.131   20.855   3.9235   22.573   4.6433   16.565   7.3368  1184.85  127.141  982.369  240.460 202.4826 272.0030 
1 1 1   15   18   19 o  1844.35  156.396   54.984   8.9470   54.984   8.9470   0.0000   0.0000  1844.35  156.396  ?   ?  0.000000 156.3964 
1 1 1   15   18   21 o  604.467  156.562   6.0939   2.9870   5.6981   3.3765   7.5184   6.4061  587.727  172.311  695.922  241.073 -108.1953 296.3231 
1 1 1   15   18   23 o  906.356  141.056   13.461   3.8730   16.669   4.6082   5.7444   7.1476  1007.80  150.652  660.331  250.702 347.4670 292.4848 
1 1 1   15   18   25 o  172.081   85.617  -4.5393   1.8137  -5.0303   1.9093  -0.0000   5.8054  173.289   86.478  484.716  209.327 -311.4272 226.4864 
1 1 1   15   18   27 o  446.835  150.914   3.0772   2.5070   2.9114   2.6869   4.1924   6.9678  444.214  155.999  607.850  242.673 -163.6360 288.4895 
1 1 1   15   18   29 o  244.575  111.041  -1.0077   1.8481  -1.4313   1.9068   5.5547   7.5056  237.608  109.692  639.949  253.003 -402.3406 275.7587 
1 1 1   15   18   31 o  499.140  156.462   4.2163   2.7204   1.5455   2.8664   28.437   8.6321  389.515  155.600  1237.65  231.246 -848.1295 278.7228 
1 1 1   15   18   33 o  378.146  147.571   1.7188   2.5249   1.4313   2.6236   5.3227   9.2898  371.325  148.677  633.526  268.988 -262.2001 307.3419 
1 1 1   15   18   35 o  419.487  195.254  -2.9220   6.2320  -2.7426   8.1422  -3.1758   9.6836  478.347  222.827  510.541  239.504 -32.19376 327.1306 
1 1 1   15   18   37 o  601.672  255.326   6.4198   8.3630   6.4198   8.3630   0.0000   0.0000  601.672  255.326  ?   ?  0.000000 255.3262 
1 1 1   15   18   39 f  435.692  165.804   3.1223   3.1310   3.1223   3.1310   0.0000   0.0000  435.692  165.804  ?   ?  0.000000 165.8036 
1 1 1   15   18   41 o  207.699  100.825  -2.9987   2.0569  -2.9987   2.0569   0.0000   0.0000  207.699  100.825  ?   ?  0.000000 100.8250 
1 1 1   15   19    0 o  1532.76  121.819   37.379   5.7984   36.201   8.0455   38.651   8.3641  1495.60  175.115  1545.75  175.943 -50.14954 248.2358 
1 1 1   15   19    2 o  461.299  174.441   2.4888   3.4518   1.4068   4.6893   3.7684   5.0996  479.336  196.246  560.714  212.030 -81.37823 288.9103 
1 1 1   15   19    4 o  639.129  217.088   6.1786   5.1878   6.1786   5.1878   0.0000   0.0000  639.129  217.088  ?   ?  0.000000 217.0878 
1 1 1   15   19    6 o  577.985  184.389   5.2644   3.7638   7.5932   5.2272   2.7572   5.4238  687.979  217.069  542.987  214.944 144.9921 305.4825 
1 1 1   15   19    8 o  578.296  182.247   5.3100   3.6855   0.9781   5.3271   9.2869   5.1042  494.585  206.444  747.579  209.595 -252.9943 294.1922 
1 1 1   15   19   10 f  533.740  189.533   4.0094   3.9760   8.4497   5.8257   0.1378   5.4399  723.616  229.249  479.930  204.854 243.6860 307.4415 
1 1 1   15   19   12 o  546.763  215.167   2.9676   5.4053   0.0000   0.0000   2.9676   5.4053  ?   ?   546.763  215.167 0.000000 215.1669 
1 1 1   15   19   14 f  679.899  231.128   7.1121   5.8806   0.0000   0.0000   7.1121   5.8806  ?   ?   679.899  231.128 0.000000 231.1282 
1 1 1   15   19   16 o  576.959  229.678   3.1394   6.2250   0.0000   0.0000   3.1394   6.2250  ?   ?   576.959  229.678 0.000000 229.6777 
1 1 1   15   19   18 o  917.802  234.604   14.370   6.7679   0.0000   0.0000   14.370   6.7679  ?   ?   917.802  234.604 0.000000 234.6038 
1 1 1   15   19   20 o  592.063  153.663   5.8235   2.8735   5.7651   3.1612   6.1009   6.8940  590.224  164.761  668.407  247.788 -78.18359 297.5648 
1 1 1   15   19   22 o  556.956  162.325   5.1041   3.0044   5.5829   3.3870   3.3368   6.5071  582.664  173.051  586.697  234.416 -4.033813 291.3714 
1 1 1   15   19   24 o  403.885  150.919   2.0389   2.5674   2.3958   2.7667  -0.1740   6.8893  426.978  157.220  522.943  226.930 -95.96555 276.0710 
1 1 1   15   19   26 o  728.121  141.389   8.8520   3.1074   9.3316   3.4452   6.7600   7.1955  744.782  152.851  676.558  252.684 68.22321 295.3181 
1 1 1   15   19   28 o  322.387  139.451  -0.1392   2.5849  -0.1392   2.5849   0.0000   0.0000  322.387  139.451  ?   ?  0.000000 139.4510 
1 1 1   15   19   30 o  401.361  151.045   2.1237   2.5806   2.1237   2.5806   0.0000   0.0000  401.361  151.045  ?   ?  0.000000 151.0447 
1 1 1   15   19   32 f  603.315  168.943   6.4598   3.3183   6.4598   3.3183   0.0000   0.0000  603.315  168.943  ?   ?  0.000000 168.9430 
1 1 1   15   19   34 o  530.261  166.553   4.9722   3.0808   4.9722   3.0808   0.0000   0.0000  530.261  166.553  ?   ?  0.000000 166.5532 
1 1 1   15   19   36 o  475.432  161.488   3.9129   2.8707   3.2230   2.9764   13.119   10.873  447.595  163.330  747.354  301.453 -299.7599 342.8560 
1 1 1   15   19   38 o  434.528  202.406  -2.0504   6.7169   2.3028   8.6129  -8.8077   10.731  534.793  241.555  465.471  226.930 69.32123 331.4299 
1 1 1   15   19   40 o  331.082  164.974 -12.3810   6.8397  -8.1838   8.6313 -19.4648   11.213  410.116  200.710  400.000  201.014 10.11606 284.0615 
1 1 1   15   20    1 o  457.036  197.851  -0.5303   5.2116   0.0000   0.0000  -0.5303   5.2116  ?   ?   457.036  197.851 0.000000 197.8507 
1 1 1   15   20    3 o  525.655  206.263   2.7051   4.9537   0.0000   0.0000   2.7051   4.9537  ?   ?   525.655  206.263 0.000000 206.2627 
1 1 1   15   20    5 o  319.236  147.862  -2.9191   3.5070  -6.6709   5.0078   0.6917   4.9129  344.893  164.816  471.173  197.581 -126.2796 257.2993 
1 1 1   15   20    7 o  613.451  225.914   4.9478   5.7130   0.0000   0.0000   4.9478   5.7130  ?   ?   613.451  225.914 0.000000 225.9140 
1 1 1   15   20    9 o  592.091  224.537   4.1931   5.7294   0.0000   0.0000   4.1931   5.7294  ?   ?   592.091  224.537 0.000000 224.5373 
1 1 1   15   20   11 o  681.613  235.426   6.9614   6.1073   0.0000   0.0000   6.9614   6.1073  ?   ?   681.613  235.426 0.000000 235.4259 
1 1 1   15   20   13 o  722.935  201.185   8.6792   4.7211   6.0535   7.0637   10.799   6.3470  676.199  250.790  805.666  236.256 -129.4667 344.5466 
1 1 1   15   20   15 o  601.987  230.568   4.2307   6.0792   0.0000   0.0000   4.2307   6.0792  ?   ?   601.987  230.568 0.000000 230.5685 
1 1 1   15   20   17 o  837.006  265.315   11.549   7.8021   11.549   7.8021   0.0000   0.0000  837.006  265.315  ?   ?  0.000000 265.3145 
1 1 1   15   20   19 o  787.830  255.185   10.128   7.1880   10.128   7.1880   0.0000   0.0000  787.830  255.185  ?   ?  0.000000 255.1848 
1 1 1   15   20   21 o  903.882  199.142   13.799   5.4842   17.435   8.3132   10.997   7.2973  1001.50  262.062  810.833  256.542 190.6701 366.7294 
1 1 1   15   20   23 o  678.559  168.292   7.7575   3.5583   9.7715   4.0247   0.5463   7.6156  761.200  172.805  561.420  241.079 199.7794 296.6153 
1 1 1   15   20   25 o  582.213  166.545   5.6970   3.1894   5.6970   3.1894   0.0000   0.0000  582.213  166.545  ?   ?  0.000000 166.5450 
1 1 1   15   20   27 o  361.708  148.257   0.8878   2.6801   0.8878   2.6801   0.0000   0.0000  361.708  148.257  ?   ?  0.000000 148.2570 
1 1 1   15   20   29 o  570.971  178.444   5.5598   3.5414   5.5598   3.5414   0.0000   0.0000  570.971  178.444  ?   ?  0.000000 178.4444 
1 1 1   15   20   31 o  1174.41  132.248   22.987   4.7786   22.434   5.2488   25.664   11.552  1150.85  149.161  1095.02  318.056 55.83875 351.2957 
1 1 1   15   20   33 o  595.550  162.493   6.2979   3.1145   5.2179   3.2486   18.573   10.952  545.476  170.977  908.732  315.191 -363.2556 358.5789 
1 1 1   15   20   35 o  713.507  156.061   9.0826   3.3896   9.3560   3.5443   6.1537   11.601  721.855  160.912  661.980  290.716 59.87506 332.2775 
1 1 1   15   20   37 o  454.112  160.593   3.4664   2.8517   4.7276   2.9518 -14.1952   11.046  511.667  163.297  446.206  220.083 65.46057 274.0481 
1 1 1   15   20   39 o  422.729  199.868  -3.3293   6.9835 -15.8634   10.179   7.8168   9.5989  404.948  201.696  619.158  268.272 -214.2099 335.6358 
1 1 1   15   21    0 o  643.558  231.162   5.7336   5.9305   0.0000   0.0000   5.7336   5.9305  ?   ?   643.558  231.162 0.000000 231.1620 
1 1 1   15   21    2 o  867.503  235.025   12.557   6.5426   0.0000   0.0000   12.557   6.5426  ?   ?   867.503  235.025 0.000000 235.0254 
1 1 1   15   21    4 o  675.719  235.195   6.6926   6.1009   0.0000   0.0000   6.6926   6.1009  ?   ?   675.719  235.195 0.000000 235.1945 
1 1 1   15   21    6 o  418.776  189.918  -2.9696   5.3869   0.0000   0.0000  -2.9696   5.3869  ?   ?   418.776  189.918 0.000000 189.9181 
1 1 1   15   21    8 o  564.299  202.653   4.3690   4.5577   2.8422   6.4230   5.9175   6.4685  580.430  232.546  661.010  240.846 -80.57953 334.7908 
1 1 1   15   21   10 o  937.681  186.934   14.536   5.2960  -4.8152   7.9038   30.303   7.1345  497.852  227.420  1369.01  170.099 -871.1583 283.9956 
1 1 1   15   21   12 o  1367.14  215.551   30.800   8.9217   0.0000   0.0000   30.800   8.9217  ?   ?   1367.14  215.551 0.000000 215.5508 
1 1 1   15   21   14 o  732.217  213.450   8.8371   5.1944   5.7272   7.2997   12.027   7.3931  674.677  254.010  851.579  256.297 -176.9019 360.8451 
1 1 1   15   21   16 o  644.030  212.461   6.4653   4.9734   1.7601   7.2956   10.550   6.7976  583.510  242.410  800.624  246.736 -217.1140 345.8923 
1 1 1   15   21   18 f  837.974  210.531   11.838   5.5171   4.5198   8.5376   17.086   7.2294  675.029  268.896  1002.65  234.457 -327.6249 356.7561 
1 1 1   15   21   20 o  671.169  267.352   4.6539   8.4397   4.6539   8.4397   0.0000   0.0000  671.169  267.352  ?   ?  0.000000 267.3522 
1 1 1   15   21   22 o  647.764  263.655   3.8425   8.4021   3.8425   8.4021   0.0000   0.0000  647.764  263.655  ?   ?  0.000000 263.6555 
1 1 1   15   21   26 o  1119.17  135.175   20.561   4.6411   22.773   5.1909   11.746   10.362  1175.03  144.106  827.908  304.344 347.1188 336.7371 
1 1 1   15   21   28 o  661.086  162.790   7.5278   3.3474   6.2642   3.5401   18.199   10.288  603.643  176.281  964.168  304.559 -360.5248 351.8961 
1 1 1   15   21   30 o  628.029  170.710   6.8931   3.4450   6.8931   3.4450   0.0000   0.0000  628.029  170.710  ?   ?  0.000000 170.7100 
1 1 1   15   21   32 o  804.049  157.192   11.224   3.8157   12.123   4.0333   3.5551   11.777  835.011  160.085  662.520  291.876 172.4906 332.8948 
1 1 1   15   21   34 o  624.605  166.248   6.9871   3.3089   6.2231   3.4432   16.211   11.963  589.026  174.374  846.062  323.588 -257.0361 367.5804 
1 1 1   15   21   36 o  290.896  130.235  -0.6980   2.4423  -0.7229   2.5136  -0.2772   10.325  294.641  132.003  558.311  256.845 -263.6696 288.7804 
1 1 1   15   22    1 o  1381.63  144.567   30.522   6.1617   37.795   9.1536   24.495   8.3322  1527.15  195.941  1216.71  227.054 310.4427 299.9110 
1 1 1   15   22    3 o  541.410  205.656   3.3727   4.8114   3.1686   7.4371   3.5195   6.3096  622.104  249.883  594.684  232.948 27.41962 341.6232 
1 1 1   15   22    5 o  1274.93  152.753   26.111   5.9767   12.413   8.7245   38.224   8.2040  878.430  280.785  1541.33  172.971 -662.9042 329.7863 
1 1 1   15   22    7 o  587.044  212.087   4.6596   5.0005   12.015   7.8709  -0.3188   6.4753  858.956  265.631  515.385  221.825 343.5712 346.0727 
1 1 1   15   22    9 o  876.821  207.488   12.801   5.6079   10.481   8.8388   14.364   7.2552  828.276  283.351  926.105  246.022 -97.82880 375.2526 
1 1 1   15   22   11 o  520.735  223.622  -0.1677   6.5533   0.0000   0.0000  -0.1677   6.5533  ?   ?   520.735  223.622 0.000000 223.6222 
1 1 1   15   22   13 o  347.288  165.537  -6.3947   4.9848  -6.1206   7.9063  -6.5756   6.4221  480.701  222.423  413.078  194.186 67.62268 295.2630 
1 1 1   15   22   15 o  911.144  286.466   13.758   9.1115   13.758   9.1115   0.0000   0.0000  911.144  286.466  ?   ?  0.000000 286.4655 
1 1 1   15   22   17 f  959.660  289.616   15.698   9.4309   15.698   9.4309   0.0000   0.0000  959.660  289.616  ?   ?  0.000000 289.6161 
1 1 1   15   22   19 f  874.877  278.113   12.929   8.5683   12.929   8.5683   0.0000   0.0000  874.877  278.113  ?   ?  0.000000 278.1133 
1 1 1   15   22   21 f  756.820  238.813   9.6156   6.3268   14.171   9.2515   5.6136   8.6716  904.018  289.159  691.489  272.400 212.5294 397.2592 
1 1 1   15   22   23 o  520.863  219.877   1.1665   6.1501  -4.9940   9.0989   6.3484   8.3450  525.286  241.450  694.080  268.997 -168.7936 361.4657 
1 1 1   15   22   25 o  683.535  250.048   7.2065   6.9821   9.4479   9.4367   4.4953   10.379  773.351  289.267  693.452  288.694 79.89911 408.6804 
1 1 1   15   22   27 o  472.302  214.761  -2.8053   6.9469   3.5031   9.3127 -10.7194   10.431  645.009  271.334  498.685  238.187 146.3235 361.0473 
1 1 1   15   22   29 o  449.062  165.719   2.8191   3.0767   2.4230   3.2029   7.5479   11.067  438.288  167.481  737.154  301.607 -298.8655 344.9878 
1 1 1   15   22   31 o  373.182  153.541   1.0075   2.8882   1.0075   2.8882   0.0000   0.0000  373.182  153.541  ?   ?  0.000000 153.5412 
1 1 1   15   22   33 o  925.259  155.480   14.774   4.3448   17.200   4.6151  -4.1342   12.885  1001.74  151.898  594.914  278.186 406.8278 316.9545 
1 1 1   15   22   35 o  289.099  130.945  -1.0886   2.5516  -0.0533   2.6172 -20.9456   11.462  321.241  139.636  432.029  214.997 -110.7887 256.3629 
1 1 1   15   23    0 o  1145.27  179.134   21.307   6.2135   8.2990   9.5479   30.863   8.1834  791.839  291.988  1379.42  194.889 -587.5762 351.0542 
1 1 1   15   23    2 o  543.241  215.610   2.5892   5.4707   5.9162   9.0064   0.6440   6.8868  726.865  280.080  551.296  232.696 175.5688 364.1326 
1 1 1   15   23    4 o  1478.16  156.508   34.972   7.1337   36.193   11.172   34.132   9.2695  1480.43  249.902  1447.43  210.707 32.99561 326.8767 
1 1 1   15   23    6 o  1990.72  230.793   64.426   14.119   64.426   14.119   0.0000   0.0000  1990.72  230.793  ?   ?  0.000000 230.7933 
1 1 1   15   23   10 o  1965.41  222.849   62.876   13.472   62.876   13.472   0.0000   0.0000  1965.41  222.849  ?   ?  0.000000 222.8488 
1 1 1   15   23   12 o  618.254  263.833   0.4673   9.0192   0.4673   9.0192   0.0000   0.0000  618.254  263.833  ?   ?  0.000000 263.8327 
1 1 1   15   23   16 o  690.798  232.921   7.4243   5.9717   9.1675   9.3113   6.2063   7.7832  794.149  289.024  694.042  262.065 100.1066 390.1447 
1 1 1   15   23   18 o  688.169  235.489   7.3623   6.1050   2.1899   9.4347   11.088   8.0073  651.051  273.449  820.341  269.535 -169.2895 383.9578 
1 1 1   15   23   20 o  771.086  287.068   8.6535   9.2724   0.0000   0.0000   8.6535   9.2724  ?   ?   771.086  287.068 0.000000 287.0681 
1 1 1   15   23   22 o  493.149  219.263  -1.6430   6.7969   3.0507   9.3470  -6.9100   9.9015  654.546  273.357  530.920  246.785 123.6267 368.2753 
1 1 1   15   23   24 o  435.438  212.029 -14.6450   9.2869   0.0000   0.0000 -14.6450   9.2869  ?   ?   435.438  212.029 0.000000 212.0291 
1 1 1   15   23   26 o  791.434  258.009   11.018   7.3424  -0.5746   9.6828   26.703   11.263  594.972  263.253  1187.77  302.122 -592.8013 400.7243 
1 1 1   15   23   28 o  508.967  240.424  -8.3103   10.064  -8.3103   10.064   0.0000   0.0000  508.967  240.424  ?   ?  0.000000 240.4241 
1 1 1   15   23   30 o  1148.71  254.431   24.624   8.9104   13.909   11.924   38.172   13.408  859.687  324.433  1380.63  316.864 -520.9417 453.4971 
1 1 1   15   23   32 o  670.240  179.474   7.9611   3.8417   8.7423   4.0559   1.1442   11.981  700.992  182.865  644.506  288.506 56.48615 341.5775 
1 1 1   15   24    1 o  953.078  232.468   15.122   6.8756   2.8740   12.300   20.688   8.2920  756.461  314.552  1114.43  244.357 -357.9681 398.3131 
1 1 1   15   24    3 o  1002.74  345.945   15.436   13.185   15.436   13.185   0.0000   0.0000  1002.74  345.945  ?   ?  0.000000 345.9446 
1 1 1   15   24    5 o  1493.35  299.645   37.569   13.524   37.569   13.524   0.0000   0.0000  1493.35  299.645  ?   ?  0.000000 299.6448 
1 1 1   15   24    9 o  1001.76  265.965   16.929   8.4824   0.0000   0.0000   16.929   8.4824  ?   ?   1001.76  265.965 0.000000 265.9652 
1 1 1   15   24   11 o  468.505  205.559  -1.2036   5.7884  -0.9761   9.4689  -1.3394   7.3142  608.688  265.088  527.758  231.324 80.93018 351.8277 
1 1 1   15   24   13 o  451.325  199.927  -1.6287   5.6005 -12.8170   8.6311   6.5078   7.3604  436.414  210.535  694.453  256.312 -258.0390 331.6941 
1 1 1   15   24   15 o  614.238  233.135   4.6354   6.1799   7.5151   9.6774   2.6524   8.0306  764.229  291.337  622.591  256.077 141.6376 387.8826 
1 1 1   15   24   17 o  406.092  189.814  -5.4196   5.9886 -14.0521   8.5852   2.7611   8.3576  421.732  205.015  631.648  260.685 -209.9162 331.6442 
1 1 1   15   24   19 o  613.354  261.545   1.1150   8.8515   0.0000   0.0000   1.1150   8.8515  ?   ?   613.354  261.545 0.000000 261.5453 
1 1 1   15   24   21 o  540.585  229.668   0.9104   6.7797  -3.7364   9.2285   6.3589   9.9930  549.305  248.897  734.169  291.399 -184.8644 383.2271 
1 1 1   15   24   23 o  804.682  261.036   11.088   7.5193   12.333   9.9650   9.4414   11.459  855.619  300.428  812.782  315.151 42.83716 435.4049 
1 1 1   15   24   25 o  582.244  265.107  -3.9230   10.631   0.0000   0.0000  -3.9230   10.631  ?   ?   582.244  265.107 0.000000 265.1066 
1 1 1   15   24   27 o  622.375  257.781   3.4690   8.2147  -1.4369   11.024   9.5931   12.318  618.113  276.718  809.500  322.818 -191.3871 425.1876 
1 1 1   15   24   29 o  426.160  205.614 -10.7403   8.2386 -13.1403   11.034  -7.7162   12.385  494.530  238.442  577.620  270.937 -83.09000 360.9174 
1 1 1   15   24   31 o  551.152  247.584  -1.1951   8.9056   7.4424   12.836  -9.2104   12.366  755.091  318.147  555.729  263.692 199.3625 413.2202 
1 1 1   15   25    0 o  1337.26  296.804   30.190   12.104   30.190   12.104   0.0000   0.0000  1337.26  296.804  ?   ?  0.000000 296.8039 
1 1 1   15   25    2 o  654.822  287.843  -2.2428   11.397  -2.2428   11.397   0.0000   0.0000  654.822  287.843  ?   ?  0.000000 287.8428 
1 1 1   15   25    4 o  665.950  246.465   5.7233   6.8150  -0.8095   11.243   9.5179   8.5686  669.314  290.171  800.676  278.728 -131.3626 402.3534 
1 1 1   15   25    6 o  667.269  261.328   4.5862   7.9393   0.0000   0.0000   4.5862   7.9393  ?   ?   667.269  261.328 0.000000 261.3276 
1 1 1   15   25    8 o  737.785  246.179   8.4414   6.6703  -1.5006   10.837   14.506   8.4636  644.768  282.117  931.505  272.724 -286.7372 392.3881 
1 1 1   15   25   10 o  653.661  280.367   0.3400   10.279   0.3400   10.279   0.0000   0.0000  653.661  280.367  ?   ?  0.000000 280.3672 
1 1 1   15   25   12 o  489.634  213.901  -0.9672   6.2080   3.6511   10.138  -3.7380   7.8525  702.951  288.258  509.278  230.281 193.6730 368.9471 
1 1 1   15   25   14 o  992.109  235.441   16.723   7.2042   16.047   11.119   17.213   9.4578  977.206  317.455  1000.63  286.966 -23.42438 427.9331 
1 1 1   15   25   16 o  372.827  180.526 -10.2363   6.4888 -13.9256   9.8446  -7.4024   8.6282  468.414  225.697  488.830  228.269 -20.41565 321.0079 
1 1 1   15   25   18 o  371.560  180.985 -11.6164   6.7827 -15.6722   10.071  -8.2495   9.1757  460.609  223.482  497.602  233.340 -36.99277 323.0973 
1 1 1   15   25   20 o  567.386  239.340   1.3263   7.2784 -17.5046   9.6782   25.841   11.043  432.198  211.732  1203.65  295.234 -771.4482 363.3090 
1 1 1   15   25   22 o  578.987  245.851   1.2547   7.7614  -7.2151   10.994   9.6694   10.958  563.303  261.222  815.673  310.243 -252.3699 405.5705 
1 1 1   15   25   24 o  826.819  278.353   11.655   8.5283   9.7096   11.554   13.983   12.641  818.720  316.738  913.674  336.113 -94.95447 461.8381 
1 1 1   15   25   28 o  694.961  275.435   6.3736   8.9161  -6.3706   12.062   21.723   13.238  588.315  273.102  1049.10  346.655 -460.7831 441.3101 
1 1 1   15   26    1 o  507.824  220.848  -0.8870   6.5533   13.110   10.064 -11.1920   8.6351  910.631  302.314  454.117  216.849 456.5140 372.0446 
1 1 1   15   26    3 o  639.825  260.287   2.9565   8.1833   0.0000   0.0000   2.9565   8.1833  ?   ?   639.825  260.287 0.000000 260.2867 
1 1 1   15   26    5 o  ?   ?  -42.4326   10.375 -42.4326   10.375   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   15   26    7 o  422.646  197.239  -5.8645   6.4259 -15.3555   10.771  -0.6203   8.0067  492.379  236.961  565.935  245.113 -73.55582 340.9267 
1 1 1   15   26    9 o  612.242  258.766   1.0623   8.5345   0.0000   0.0000   1.0623   8.5345  ?   ?   612.242  258.766 0.000000 258.7655 
1 1 1   15   26   11 o  868.548  250.057   12.650   7.1688   21.987   11.549   6.7966   9.1437  1127.52  314.973  741.768  283.091 385.7531 423.4955 
1 1 1   15   26   13 o  711.492  255.087   7.2996   7.2185   7.0759   10.396   7.5079   10.031  772.620  300.013  773.766  296.220 -1.146729 421.6089 
1 1 1   15   26   15 o  696.965  285.382   3.8062   9.9181   0.0000   0.0000   3.8062   9.9181  ?   ?   696.965  285.382 0.000000 285.3818 
1 1 1   15   26   17 o  697.433  292.317   2.7497   10.745   0.0000   0.0000   2.7497   10.745  ?   ?   697.433  292.317 0.000000 292.3170 
1 1 1   15   26   19 o  728.213  269.602   7.4828   8.1559   1.0128   11.678   13.643   11.395  691.653  297.795  915.266  321.273 -223.6136 438.0622 
1 1 1   15   26   21 o  838.378  281.539   11.669   8.7245   9.5915   11.969   14.025   12.745  835.553  322.615  931.183  338.252 -95.63007 467.4344 
1 1 1   15   26   23 o  649.514  288.109  -1.5028   11.669  -1.5028   11.669   0.0000   0.0000  649.514  288.109  ?   ?  0.000000 288.1093 
1 1 1   15   27    0 o  1023.55  248.819   17.596   7.8970   14.827   12.585   19.394   10.142  978.339  337.952  1070.91  293.664 -92.56604 447.7161 
1 1 1   15   27    2 o  1417.09  262.214   33.552   11.207   0.0000   0.0000   33.552   11.207  ?   ?   1417.09  262.214 0.000000 262.2139 
1 1 1   15   27    4 o  710.291  256.774   6.9891   7.3314   25.570   12.584  -2.5574   9.0202  1220.12  323.958  571.708  253.467 648.4148 411.3326 
1 1 1   15   27    6 o  502.662  232.061  -6.3336   8.5348   0.0000   0.0000  -6.3336   8.5348  ?   ?   502.662  232.061 0.000000 232.0606 
1 1 1   15   27    8 o  871.421  301.348   11.678   10.008   0.0000   0.0000   11.678   10.008  ?   ?   871.421  301.348 0.000000 301.3482 
1 1 1   15   27   10 o  565.093  241.331   0.2800   7.5567   11.782   11.539  -8.3558   9.9989  893.658  322.285  530.794  247.149 362.8636 406.1406 
1 1 1   15   27   12 o  1357.43  222.009   30.559   9.1101   24.711   13.897   34.966   12.064  1189.49  349.809  1433.63  278.782 -244.1327 447.3090 
1 1 1   15   27   14 o  931.202  320.089   13.881   11.283   0.0000   0.0000   13.881   11.283  ?   ?   931.202  320.089 0.000000 320.0891 
1 1 1   15   27   16 o  873.823  283.086   12.601   8.8455   21.149   13.029   5.2934   12.047  1101.45  341.953  773.693  315.400 327.7575 465.1981 
1 1 1   15   27   18 o  581.234  251.675  -0.2476   8.4368 -14.1404   12.349   11.911   11.553  547.157  260.737  885.208  321.978 -338.0506 414.3108 
1 1 1   15   27   20 o  1058.00  343.560   19.676   13.024   0.0000   0.0000   19.676   13.024  ?   ?   1058.00  343.560 0.000000 343.5600 
1 1 1   15   27   22 o  687.941  303.079  -0.9035   12.699   0.0000   0.0000  -0.9035   12.699  ?   ?   687.941  303.079 0.000000 303.0789 
1 1 1   15   28    1 o  692.269  278.810   3.9702   9.2856   0.0000   0.0000   3.9702   9.2856  ?   ?   692.269  278.810 0.000000 278.8097 
1 1 1   15   28    3 o  562.720  241.222  -0.0547   7.6012  -2.6449   13.579   1.1273   9.1731  710.162  313.107  636.269  268.560 73.89349 412.5054 
1 1 1   15   28    5 f  554.797  239.220  -0.3901   7.5583   5.7467   13.428  -3.2363   9.1445  823.388  333.990  566.394  252.903 256.9942 418.9381 
1 1 1   15   28    7 o  919.366  302.010   13.571   10.053   0.0000   0.0000   13.571   10.053  ?   ?   919.366  302.010 0.000000 302.0096 
1 1 1   15   28    9 o  448.593  213.203  -9.7591   8.1474  -0.5965   14.726 -13.8009   9.7807  762.048  331.235  471.200  226.533 290.8481 401.2904 
1 1 1   15   28   11 o  584.695  267.378  -6.4216   10.963   0.0000   0.0000  -6.4216   10.963  ?   ?   584.695  267.378 0.000000 267.3783 
1 1 1   15   28   13 o  1197.80  330.228   24.977   12.785   0.0000   0.0000   24.977   12.785  ?   ?   1197.80  330.228 0.000000 330.2283 
1 1 1   15   28   15 o  1272.79  345.099   28.608   14.100   0.0000   0.0000   28.608   14.100  ?   ?   1272.79  345.099 0.000000 345.0987 
1 1 1   15   28   17 o  660.202  299.186  -5.5578   13.340   0.0000   0.0000  -5.5578   13.340  ?   ?   660.202  299.186 0.000000 299.1858 
1 1 1   15   28   19 o  463.956  227.769 -21.4668   11.386 -21.4668   11.386   0.0000   0.0000  463.956  227.769  ?   ?  0.000000 227.7692 
1 1 1   15   29    0 f  829.550  304.548   9.3506   10.371   0.0000   0.0000   9.3506   10.371  ?   ?   829.550  304.548 0.000000 304.5481 
1 1 1   15   29    2 o  841.458  283.721   10.925   8.8606   3.9672   17.331   13.387   10.310  884.609  371.033  920.943  306.001 -36.33478 480.9386 
1 1 1   15   29    4 o  561.371  251.399  -3.5583   9.1073  -0.2009   17.002  -4.9093   10.785  825.487  357.355  600.225  270.781 225.2612 448.3579 
1 1 1   15   29    6 o  1175.41  308.629   23.552   11.504   0.0000   0.0000   23.552   11.504  ?   ?   1175.41  308.629 0.000000 308.6288 
1 1 1   15   29    8 o  685.983  295.210   0.0000   11.465   0.0000   0.0000   0.0000   11.465  ?   ?   685.983  295.210 0.000000 295.2097 
1 1 1   15   29   10 o  672.231  295.135  -1.9185   11.949   0.0000   0.0000  -1.9185   11.949  ?   ?   672.231  295.135 0.000000 295.1350 
1 1 1   15   29   12 o  653.742  296.191  -5.9936   13.065   0.0000   0.0000  -5.9936   13.065  ?   ?   653.742  296.191 0.000000 296.1912 
1 1 1   15   29   14 o  1017.27  300.536   17.571   10.237   40.259   14.536  -4.7536   14.419  1528.78  314.152  702.873  315.436 825.9114 445.1871 
1 1 1   15   29   16 o  900.501  302.435   13.054   10.068   6.1943   14.008   20.382   14.479  833.921  340.042  1097.09  362.544 -263.1742 497.0579 
1 1 1   15   30    1 o  633.075  281.709  -3.5607   11.242   0.0000   0.0000  -3.5607   11.242  ?   ?   633.075  281.709 0.000000 281.7093 
1 1 1   15   30    3 o  757.416  305.774   4.7089   11.197   0.0000   0.0000   4.7089   11.197  ?   ?   757.416  305.774 0.000000 305.7742 
1 1 1   15   30    5 o  581.529  272.963 -12.1845   12.609   0.0000   0.0000 -12.1845   12.609  ?   ?   581.529  272.963 0.000000 272.9633 
1 1 1   15   30    7 o  925.662  342.009   11.791   13.112   0.0000   0.0000   11.791   13.112  ?   ?   925.662  342.009 0.000000 342.0089 
1 1 1   15   30    9 o  1088.78  352.284   19.564   13.702   0.0000   0.0000   19.564   13.702  ?   ?   1088.78  352.284 0.000000 352.2845 
1 1 1   15   31    0 o  1003.84  330.289   16.028   12.022   0.0000   0.0000   16.028   12.022  ?   ?   1003.84  330.289 0.000000 330.2886 
1 1 1   16    0    0 o  394.001  146.047   3.2749   1.6728   3.2749   1.6728   3.2749   1.6728  394.001  146.047  394.001  146.047 -0.000000 0.000000 
1 1 1   16    0    2 o  3751.78  147.046  223.162   17.214  223.162   17.214  223.162   17.214  3751.78  147.046  3751.78  147.046 -0.000000 0.000000 
1 1 1   16    0    4 o  3788.69  146.826  227.678   17.359  227.678   17.359  227.678   17.359  3788.69  146.826  3788.69  146.826 -0.000000 0.000000 
1 1 1   16    0    6 o  753.386  108.149   9.4608   2.3987   9.4608   2.3987   9.4608   2.3987  753.386  108.149  753.386  108.149 -0.000000 0.000000 
1 1 1   16    0    8 o  3088.06  130.723  151.415   12.589  151.415   12.589  151.415   12.589  3088.06  130.723  3088.06  130.723 -0.000000 0.000000 
1 1 1   16    0   10 o  1603.84  102.672   41.021   5.1078   41.021   5.1078   41.021   5.1078  1603.84  102.672  1603.84  102.672 -0.000000 0.000000 
1 1 1   16    0   12 o  228.704  125.823   1.1499   1.3031   1.1499   1.3031   1.1499   1.3031  228.704  125.823  228.704  125.823 -0.000000 0.000000 
1 1 1   16    0   14 o  785.781  167.146   11.044   3.6150   11.044   3.6150   11.044   3.6150  785.781  167.146  785.781  167.146 -0.000000 0.000000 
1 1 1   16    0   16 o  587.065  193.220   7.0264   3.1528   7.0264   3.1528   7.0264   3.1528  587.065  193.220  587.065  193.220 -0.000000 0.000000 
1 1 1   16    0   18 o  1162.46  100.952   21.811   3.6109   21.811   3.6109   21.811   3.6109  1162.46  100.952  1162.46  100.952 -0.000000 0.000000 
1 1 1   16    0   20 o  1516.73  103.121   36.866   4.8455   36.866   4.8455   36.866   4.8455  1516.73  103.121  1516.73  103.121 -0.000000 0.000000 
1 1 1   16    0   22 o  566.765  200.082   6.7843   3.2264   6.7843   3.2264   6.7843   3.2264  566.765  200.082  566.765  200.082 -0.000000 0.000000 
1 1 1   16    0   24 o  1087.31  157.421   20.087   5.0328   20.087   5.0328   20.087   5.0328  1087.31  157.421  1087.31  157.421 -0.000000 0.000000 
1 1 1   16    0   26 o  156.967  105.106  -0.5128   1.4366  -0.5128   1.4366  -0.5128   1.4366  156.967  105.106  156.967  105.106 -0.000000 0.000000 
1 1 1   16    0   28 o  296.285  154.685   2.0452   1.8786   2.0452   1.8786   2.0452   1.8786  296.285  154.685  296.285  154.685 -0.000000 0.000000 
1 1 1   16    0   30 o  1556.28  106.536   38.815   5.1358   38.815   5.1358   38.815   5.1358  1556.28  106.536  1556.28  106.536 -0.000000 0.000000 
1 1 1   16    0   32 o  1574.91  107.287   39.757   5.2344   39.757   5.2344   39.757   5.2344  1574.91  107.287  1574.91  107.287 -0.000000 0.000000 
1 1 1   16    0   36 o  668.330  242.742   9.6118   4.6697   9.6118   4.6697   9.6118   4.6697  668.330  242.742  668.330  242.742 -0.000000 0.000000 
1 1 1   16    0   38 o  342.690  184.612   2.7191   2.7465   2.7191   2.7465   2.7191   2.7465  342.690  184.612  342.690  184.612 -0.000000 0.000000 
1 1 1   16    0   40 o  313.333  181.115   2.0323   2.8800   2.0323   2.8800   2.0323   2.8800  313.333  181.115  313.333  181.115 -0.000000 0.000000 
1 1 1   16    0   42 o  512.460  211.147   6.0252   3.3560   6.0252   3.3560   6.0252   3.3560  512.460  211.147  512.460  211.147 -0.000000 0.000000 
1 1 1   16    0   44 o  914.796  154.994   14.650   4.0571   14.650   4.0571   14.650   4.0571  914.796  154.994  914.796  154.994 -0.000000 0.000000 
1 1 1   16    0   46 o  532.741  266.498   7.4950   5.4301   7.4950   5.4301   7.4950   5.4301  532.741  266.498  532.741  266.498 -0.000000 0.000000 
1 1 1   16    0   48 o  800.112  196.452   12.321   4.2623   12.321   4.2623   12.321   4.2623  800.112  196.452  800.112  196.452 -0.000000 0.000000 
1 1 1   16    0   50 o  274.361  178.027   0.2717   3.6438   0.2717   3.6438   0.2717   3.6438  274.361  178.027  274.361  178.027 -0.000000 0.000000 
1 1 1   16    1    1 o  622.929   74.249   6.1853   1.4197   6.9608   2.0349   5.4499   1.9818  656.654  102.297  577.451  113.649 79.20233 152.9076 
1 1 1   16    1    3 o  6155.99  150.044  603.844   28.922  608.309   40.903  599.379   40.902  6124.44  213.291  6077.70  214.926 46.73926 302.7968 
1 1 1   16    1    5 o  2724.08   85.491  116.917   7.2921  118.394   10.309  115.437   10.316  2732.74  120.476  2697.94  122.117 34.80078 171.5430 
1 1 1   16    1    7 o  1902.65  105.722   57.494   6.2738   61.704   8.8982   53.333   8.8469  1958.92  146.117  1816.67  157.070 142.2551 214.5258 
1 1 1   16    1    9 o  1277.76   79.835   25.859   3.1782   24.200   5.4905   26.695   3.8976  1219.22  146.765  1294.88   96.828 -75.65552 175.8282 
1 1 1   16    1   11 o  477.039   98.272   3.7426   1.4191   6.5833   2.5024   2.3961   1.7229  629.380  131.230  390.332  124.776 239.0479 181.0812 
1 1 1   16    1   13 o  3969.08  125.483  253.462   15.595  247.450   27.024  256.465   19.096  3800.67  228.131  3965.84  153.775 -165.1658 275.1192 
1 1 1   16    1   15 o  374.600  119.094   2.2279   1.5712   1.4627   2.3327   2.8633   2.1256  366.228  142.141  425.518  138.828 -59.29071 198.6885 
1 1 1   16    1   17 o  1768.67   84.938   49.739   4.7040   46.532   8.1712   51.329   5.7529  1673.35  157.812  1787.43  103.227 -114.0847 188.5746 
1 1 1   16    1   19 o  1639.57   84.459   42.929   4.3213   41.562   7.5007   43.607   5.2869  1578.15  153.739  1644.65  103.185 -66.49780 185.1562 
1 1 1   16    1   21 o  921.178   83.858   13.660   2.3924   12.120   4.1050   14.452   2.9440  836.822  162.522  941.915  101.416 -105.0927 191.5684 
1 1 1   16    1   23 o  907.731  154.466   14.242   4.2332   0.0000   0.0000   14.242   4.2332  ?   ?   907.731  154.466 0.000000 154.4659 
1 1 1   16    1   25 o  1540.41   84.590   38.224   4.0645   37.802   7.0948   38.430   4.9589  1484.39  154.925  1533.74  103.868 -49.35571 186.5218 
1 1 1   16    1   27 f  1540.00   86.025   38.207   4.1317   39.520   7.1741   37.555   5.0540  1521.85  152.605  1515.06  107.226 6.792969 186.5087 
1 1 1   16    1   29 o  478.188  133.434   3.9212   2.0738   1.1599   2.9480   6.6263   2.9179  378.037  155.282  614.669  152.365 -236.6325 217.5494 
1 1 1   16    1   31 o  411.895  145.592   2.6284   2.3435  -0.4788   3.1524   6.4671   3.5039  339.786  150.282  599.684  175.450 -259.8986 231.0141 
1 1 1   16    1   33 o  2480.80   98.292  100.372   7.6353  109.844   13.248   95.661   9.3432  2492.81  170.751  2389.57  125.307 103.2390 211.7962 
1 1 1   16    1   35 o  1702.88  111.284   48.291   5.9012   47.528   8.4216   49.027   8.2714  1629.99  167.380  1663.47  160.805 -33.47852 232.1081 
1 1 1   16    1   37 o  3181.35   97.586  166.670   9.7211  165.301   13.736  168.043   13.760  3083.96  142.241  3111.64  141.223 -27.67969 200.4409 
1 1 1   16    1   39 o  545.440  137.889   5.4442   2.3563   9.8586   3.9586   3.0219   2.9324  707.859  178.602  428.319  161.045 279.5404 240.4871 
1 1 1   16    1   41 o  943.871   95.434   15.308   2.7818   7.0683   3.9994   23.031   3.8718  561.765  190.608  1143.86  109.436 -582.0952 219.7902 
1 1 1   16    1   43 o  251.487  122.325  -3.3417   3.0682  -4.4996   4.3273  -2.1711   4.3509  287.360  140.941  315.407  151.494 -28.04706 206.9174 
1 1 1   16    1   45 o  398.849  157.135   3.9074   2.8858   4.2233   3.4911   3.2258   5.1281  402.775  167.537  380.833  177.214 21.94107 243.8722 
1 1 1   16    1   47 o  1333.55  113.670   36.759   4.7012   33.182   8.2541   38.476   5.7195  729.391  270.985  1269.75  146.546 -540.3621 308.0723 
1 1 1   16    1   49 o  258.919  122.247   0.3566   2.5959   3.4195   3.8173  -2.2784   3.5407  323.206  151.223  244.886  121.467 78.31921 193.9655 
1 1 1   16    1   51 o  364.680  152.781   5.8190   2.9330   8.1727   4.1950   3.5682   4.1023  357.964  164.320  291.687  141.778 66.27756 217.0305 
1 1 1   16    2    0 o  3540.79   99.008  197.679   10.977  191.694   15.520  203.670   15.528  3473.62  142.686  3582.01  138.445 -108.3904 198.8123 
1 1 1   16    2    2 o  3215.81   93.032  162.984   9.3679  167.341   13.246  158.625   13.250  3248.24  130.233  3161.36  133.856 86.87720 186.7567 
1 1 1   16    2    4 o  4533.56  117.316  325.496   16.654  317.332   23.550  333.664   23.555  4449.12  169.040  4564.83  164.792 -115.7026 236.0739 
1 1 1   16    2    6 o  1373.52   98.675   29.960   4.2155   33.848   6.0026   26.177   5.9216  1452.22  133.499  1270.69  151.834 181.5326 202.1769 
1 1 1   16    2    8 o  3676.07  145.600  216.680   16.760  206.703   23.694  226.670   23.709  3536.10  215.008  3712.50  204.748 -176.4011 296.9012 
1 1 1   16    2   10 o  1835.48   85.558   53.278   4.9173   53.525   8.5595   53.156   6.0077  1814.57  152.047  1825.74  105.537 -11.16260 185.0846 
1 1 1   16    2   12 o  1073.09   81.389   18.325   2.7144   16.585   4.7518   19.168   3.3071  998.637  157.155  1093.85   97.579 -95.21277 184.9845 
1 1 1   16    2   14 o  716.890   86.264   8.2706   1.8975   8.6084   3.3816   8.1153   2.2925  712.744  155.863  704.914  107.243 7.829712 189.1937 
1 1 1   16    2   16 o  848.612  102.798   11.675   2.6758   12.954   3.8517   10.481   3.7202  880.873  144.667  786.469  156.569 94.40460 213.1720 
1 1 1   16    2   18 o  1367.16  101.868   30.111   4.3296   28.353   6.1138   31.880   6.1323  1304.00  152.618  1388.52  143.095 -84.51416 209.2089 
1 1 1   16    2   20 o  1296.00   81.790   26.863   3.3021   24.156   5.7432   28.200   4.0359  1195.38  157.253  1321.92   98.204 -126.5381 185.3985 
1 1 1   16    2   22 o  1234.09  102.086   24.785   3.9094   0.0000   0.0000   24.785   3.9094  ?   ?   1234.09  102.086 0.000000 102.0858 
1 1 1   16    2   24 o  531.751  124.212   4.8398   2.0308   0.0000   0.0000   4.8398   2.0308  ?   ?   531.751  124.212 0.000000 124.2124 
1 1 1   16    2   26 o  1191.83   83.369   22.889   3.0917   28.910   5.4297   20.000   3.7609  1312.27  134.022  1101.88  110.491 210.3885 173.6953 
1 1 1   16    2   28 o  536.926  113.953   4.8743   1.8565   3.0620   3.2352   5.7641   2.2670  457.146  169.690  580.470  128.151 -123.3244 212.6437 
1 1 1   16    2   30 o  688.463  122.147   8.0111   2.5368   8.9497   3.7271   7.2010   3.4625  707.651  170.270  634.508  170.589 73.14282 241.0240 
1 1 1   16    2   32 o  994.281  112.437   16.436   3.4390   16.737   4.9826   16.162   4.7526  969.177  170.405  955.758  164.754 13.41943 237.0273 
1 1 1   16    2   34 o  1727.10  109.165   49.395   5.8732   56.403   8.4418   42.820   8.1765  1802.45  150.964  1547.61  171.618 254.8427 228.5670 
1 1 1   16    2   36 o  1375.32  116.431   31.823   4.9670   0.0000   0.0000   31.823   4.9670  ?   ?   1375.32  116.431 0.000000 116.4312 
1 1 1   16    2   38 o  2439.96  126.843  102.373   9.6575   0.0000   0.0000  102.373   9.6575  ?   ?   2439.96  126.843 0.000000 126.8431 
1 1 1   16    2   40 o  569.642  161.364   6.3831   3.0092   0.0000   0.0000   6.3831   3.0092  ?   ?   569.642  161.364 0.000000 161.3640 
1 1 1   16    2   42 o  1541.35  129.172   44.763   6.1768   44.969   8.5796   44.541   8.8998  1389.63  203.177  1352.73  217.482 36.89966 297.6228 
1 1 1   16    2   44 o  357.192  137.838   2.5425   2.1838   6.4960   3.3280  -0.4473   2.8941  502.659  173.779  286.669  133.308 215.9900 219.0206 
1 1 1   16    2   46 o  493.371  152.721   6.1353   2.6010  -0.2686   3.8881   11.323   3.4994  301.961  144.550  659.716  168.729 -357.7539 222.1804 
1 1 1   16    2   48 o  245.584  118.296  -0.9634   2.6996  -1.2812   4.9984  -0.8326   3.2077  288.659  143.373  261.791  126.803 26.86859 191.4020 
1 1 1   16    2   50 o  292.350  142.042   2.2948   4.1062   6.4813   5.5066  -2.9487   6.1627  329.058  160.886  266.887  135.688 62.17084 210.4649 
1 1 1   16    3    1 o  1243.90   69.417   24.388   2.6930   25.176   3.8358   23.622   3.7817  1259.78   98.010  1219.74   99.892 40.03479 139.9442 
1 1 1   16    3    3 o  2323.54   79.590   84.964   5.7906   85.684   8.1983   84.248   8.1802  2327.38  112.496  2307.64  113.208 19.74048 159.5980 
1 1 1   16    3    5 f  1955.73  106.632   60.684   6.5053   64.796   9.2433   56.648   9.1572  2009.11  147.970  1874.74  157.451 134.3689 216.0693 
1 1 1   16    3    7 o  1073.80   80.742   18.280   2.6949   14.439   4.6941   20.169   3.2914  933.544  166.698  1125.77   94.240 -192.2249 191.4927 
1 1 1   16    3    9 o  1680.20  103.566   44.976   5.4222   0.0000   0.0000   44.976   5.4222  ?   ?   1680.20  103.566 0.000000 103.5656 
1 1 1   16    3   11 o  1034.35   81.026   17.020   2.6033   13.854   4.5748   18.536   3.1658  908.744  166.926  1076.66   94.876 -167.9130 192.0044 
1 1 1   16    3   13 f  1765.54   85.106   49.430   4.7049   47.111   8.1956   50.570   5.7461  1692.00  156.462  1777.48  103.691 -85.47742 187.7025 
1 1 1   16    3   15 o  702.194   88.176   7.9535   1.8960   7.7860   3.3615   8.0316   2.2961  675.556  161.164  700.690  108.133 -25.13324 194.0790 
1 1 1   16    3   17 o  487.788  121.947   3.9906   1.8576   1.3470   2.7483   6.2140   2.5205  381.192  152.331  606.864  136.007 -225.6720 204.2125 
1 1 1   16    3   19 o  2252.16   92.682   81.089   6.5360   75.328   11.360   83.940   7.9912  2111.31  173.363  2280.64  111.902 -169.3269 206.3413 
1 1 1   16    3   21 o  1311.18   82.441   27.553   3.3675   24.569   5.8647   29.021   4.1131  1200.39  160.013  1339.15   98.788 -138.7625 188.0516 
1 1 1   16    3   23 o  770.933  113.872   9.8901   2.6661   10.864   3.8674   9.0081   3.6805  787.018  162.324  712.836  167.695 74.18127 233.3896 
1 1 1   16    3   25 o  1440.42   84.915   33.410   3.8130   33.559   4.6800   33.115   6.5760  1433.26  105.012  1391.80  153.443 41.45972 185.9362 
1 1 1   16    3   27 f  1127.04   84.287   20.465   2.9530   19.623   3.6262   22.122   5.0880  1094.04  107.232  1141.64  145.650 -47.59412 180.8658 
1 1 1   16    3   29 o  2309.07   94.457   86.004   6.8295   85.928   11.864   86.042   8.3522  2229.73  171.230  2289.21  116.910 -59.47778 207.3349 
1 1 1   16    3   31 o  1439.01   74.527   33.174   3.3466   33.334   4.6903   33.007   4.7765  1426.29  105.774  1417.65  108.425 8.642090 151.4730 
1 1 1   16    3   33 o  968.718   81.142   15.198   2.4386   12.032   3.4153   18.493   3.4832  836.747  134.942  1056.99  106.701 -220.2441 172.0306 
1 1 1   16    3   35 o  2344.30   98.252   89.984   7.2123  101.062   12.528   84.492   8.8206  2380.53  169.167  2237.00  126.445 143.5339 211.2010 
1 1 1   16    3   37 o  155.508   77.622  -3.9407   1.5418  -5.0925   3.3859  -3.6394   1.7318  263.809  128.361  175.519   86.677 88.28975 154.8854 
1 1 1   16    3   39 o  419.094  143.279   3.0698   2.2600   5.4262   4.3542   2.2009   2.6440  530.156  196.847  388.735  151.203 141.4214 248.2159 
1 1 1   16    3   41 o  1125.32  124.980   23.074   4.3295   0.0000   0.0000   23.074   4.3295  ?   ?   1125.32  124.980 0.000000 124.9800 
1 1 1   16    3   43 o  1044.03  110.541   20.153   3.5587   24.299   6.8918   18.645   4.1556  910.085  238.837  958.360  142.846 -48.27466 278.2950 
1 1 1   16    3   45 o  693.792  151.947   10.961   3.2096   12.185   6.4468   10.558   3.7008  518.861  222.279  631.434  178.978 -112.5732 285.3785 
1 1 1   16    3   47 o  1284.01  148.629   39.615   5.8652   0.0000   0.0000   39.615   5.8652  ?   ?   1284.01  148.629 0.000000 148.6290 
1 1 1   16    3   49 o  736.023  186.133   17.949   4.2925   0.0000   0.0000   17.949   4.2925  ?   ?   736.023  186.133 0.000000 186.1335 
1 1 1   16    3   51 f  239.502  118.475  -0.7115   3.2846   0.0000   0.0000  -0.7115   3.2846  ?   ?   239.502  118.475 0.000000 118.4746 
1 1 1   16    4    0 o  4346.70  114.598  298.759   15.597  298.587   22.062  298.930   22.055  4323.66  162.956  4326.22  162.808 -2.557129 230.3496 
1 1 1   16    4    2 o  274.559   94.111   1.0857   0.9751   1.7686   1.4587   0.5340   1.3110  344.366  115.122  262.914  105.159 81.45224 155.9208 
1 1 1   16    4    4 f  1444.71  100.860   33.134   4.5341   33.134   4.5341   0.0000   0.0000  1444.71  100.860  ?   ?  0.000000 100.8605 
1 1 1   16    4    6 o  652.926   86.349   6.8409   1.7221   7.4622   3.0458   6.5489   2.0878  669.997  149.032  634.167  109.074 35.83008 184.6823 
1 1 1   16    4    8 o  1710.65   84.265   46.219   4.5136   34.739   7.8377   51.915   5.5211  1452.66  175.893  1807.71   97.904 -355.0449 201.3047 
1 1 1   16    4   10 o  2044.07  107.461   66.690   6.8539   0.0000   0.0000   66.690   6.8539  ?   ?   2044.07  107.461 0.000000 107.4608 
1 1 1   16    4   12 o  2522.50  118.333  101.971   9.3466   92.631   13.209  111.337   13.228  2363.13  179.858  2604.64  163.007 -241.5146 242.7345 
1 1 1   16    4   14 o  777.628   84.556   9.7014   2.0257   10.052   3.6507   9.5455   2.4350  771.406  156.488  766.564  104.140 4.841919 187.9725 
1 1 1   16    4   16 o  542.464   99.135   4.8376   1.6218   5.7109   2.9451   4.4575   1.9430  579.692  157.950  515.871  122.171 63.82068 199.6844 
1 1 1   16    4   18 o  737.879   72.854   8.7085   1.6613   10.313   2.3728   7.1656   2.3267  797.588   97.009  657.208  117.369 140.3795 152.2701 
1 1 1   16    4   20 f  333.414  108.968   1.7416   1.3094   2.4809   1.6777   0.5896   2.0943  391.031  122.922  315.598  130.392 75.43387 179.1979 
1 1 1   16    4   22 o  2291.71   92.152   84.439   6.6128   85.356   8.1139   82.625   11.412  2288.90  113.210  2197.38  167.108 91.51953 201.8453 
1 1 1   16    4   24 o  510.834  102.110   4.3661   1.5762   4.2111   2.0059   4.6164   2.5484  495.814  128.240  516.681  149.189 -20.86713 196.7299 
1 1 1   16    4   26 o  258.003  103.967   0.5348   1.2919   2.4182   1.8401  -1.2964   1.8144  389.285  129.270  232.410  107.190 156.8749 167.9303 
1 1 1   16    4   28 o  570.576   93.237   5.3642   1.6082   4.7397   2.1926   6.0913   2.3660  525.450  133.112  597.136  130.211 -71.68561 186.2085 
1 1 1   16    4   30 o  579.316  108.332   5.6242   1.8929   5.8425   2.3753   5.2443   3.1334  582.730  133.094  547.762  167.303 34.96820 213.7860 
1 1 1   16    4   32 f  917.747   80.732   13.620   2.2964   12.672   3.1702   14.666   3.3309  868.804  119.712  937.467  115.945 -68.66357 166.6556 
1 1 1   16    4   34 o  1489.54  112.127   36.836   5.1914   0.0000   0.0000   36.836   5.1914  ?   ?   1489.54  112.127 0.000000 112.1272 
1 1 1   16    4   36 o  336.037  132.228   1.3093   2.0412  -1.7010   4.4352   2.1182   2.2991  369.486  169.370  382.368  142.828 -12.88171 221.5531 
1 1 1   16    4   38 o  2562.62   88.000  107.579   7.0613  104.819   9.9930  110.331   9.9794  2463.48  130.008  2537.59  125.593 -74.10986 180.7640 
1 1 1   16    4   40 o  807.800  136.938   11.993   3.3400   0.0000   0.0000   11.993   3.3400  ?   ?   807.800  136.938 0.000000 136.9383 
1 1 1   16    4   42 o  1696.51   97.711   50.422   5.1686   50.799   8.9587   50.233   6.3280  1485.16  197.544  1641.41  124.037 -156.2477 233.2568 
1 1 1   16    4   44 o  1037.96  110.471   20.373   3.5353   26.607   6.3187   17.533   4.2653  992.758  209.834  887.447  159.351 105.3109 263.4826 
1 1 1   16    4   46 o  867.802  130.096   16.088   3.4261   17.759   6.1860   15.348   4.1149  627.820  234.327  764.862  175.534 -137.0421 292.7826 
1 1 1   16    4   48 o  673.076  142.880   11.082   2.9182   12.068   4.4795   10.355   3.8463  533.366  199.338  532.454  186.665 0.9114990 273.0928 
1 1 1   16    4   50 o  426.346  170.096   7.9030   3.4211   0.5368   7.6961   9.7170   3.8192  ?   ?   451.978  179.909 0.000000 179.9090 
1 1 1   16    5    1 o  1739.04   72.258   47.553   3.9347   44.369   5.5608   50.745   5.5682  1672.29  106.753  1790.29   99.725 -118.0012 146.0865 
1 1 1   16    5    3 o  2678.52   98.142  113.312   8.2313  117.816   10.089  104.344   14.235  2725.90  118.201  2538.45  180.260 187.4529 215.5580 
1 1 1   16    5    5 o  1534.37   70.154   37.048   3.3705   33.165   4.7550   40.969   4.7785  1443.31  105.954  1607.33   95.370 -164.0260 142.5541 
1 1 1   16    5    7 o  2057.49   88.189   66.901   5.6816   71.817   9.8739   64.467   6.9469  2108.11  150.572  2011.42  110.726 96.69006 186.9010 
1 1 1   16    5    9 o  1298.43   81.728   26.745   3.3058   26.395   5.8183   26.911   4.0173  1270.94  149.032  1298.41   99.569 -27.47778 179.2330 
1 1 1   16    5   11 o  686.021  105.303   7.6630   2.1897   0.0000   0.0000   7.6630   2.1897  ?   ?   686.021  105.303 0.000000 105.3029 
1 1 1   16    5   13 o  344.023  105.784   1.8925   1.2503   1.2348   2.5303   2.1049   1.4381  367.780  146.423  363.613  113.726 4.167664 185.4004 
1 1 1   16    5   15 o  1327.09   81.764   28.029   3.3811   29.916   5.9384   27.124   4.1129  1349.55  142.692  1299.58  101.887 49.96875 175.3336 
1 1 1   16    5   17 o  1054.52   99.732   17.929   3.2540   16.044   4.5333   19.932   4.6736  978.100  153.033  1098.16  139.030 -120.0615 206.7572 
1 1 1   16    5   19 o  793.241   85.017   10.137   2.0788   9.8184   2.5469   10.771   3.5978  773.950  108.042  796.370  149.778 -22.41992 184.6792 
1 1 1   16    5   21 o  618.261   93.255   6.2634   1.7492   5.5522   2.1599   7.6189   2.9818  572.546  124.064  665.108  147.080 -92.56195 192.4170 
1 1 1   16    5   23 f  444.329  123.193   3.3436   1.7737   4.6431   2.5245   2.0770   2.4925  518.930  148.079  394.233  148.427 124.6979 209.6612 
1 1 1   16    5   25 o  627.718   84.695   6.4156   1.6222   5.3381   2.3561   7.3868   2.2368  557.130  136.200  665.932  111.193 -108.8019 175.8246 
1 1 1   16    5   27 o  1549.43   74.139   38.224   3.5969   40.425   5.1107   36.064   5.0633  1577.64  104.040  1486.86  109.526 90.77844 151.0636 
1 1 1   16    5   29 o  1165.63   83.425   21.853   3.0248   23.798   3.7787   18.384   5.0469  1209.48  100.691  1031.80  161.509 177.6791 190.3251 
1 1 1   16    5   31 o  1062.30   78.358   18.152   2.5880   20.608   3.6368   15.632   3.6837  1120.87  104.838  965.772  124.729 155.0999 162.9366 
1 1 1   16    5   33 o  748.894  103.039   9.3075   2.3522   14.611   3.8401   6.1223   2.9759  923.659  136.920  585.491  158.459 338.1685 209.4186 
1 1 1   16    5   35 o  1493.29   87.607   36.238   4.0785   37.709   6.8458   35.429   5.0780  1472.71  150.571  1459.79  111.946 12.91919 187.6263 
1 1 1   16    5   37 o  787.409  109.032   10.472   2.6161   6.1603   4.3262   12.957   3.2848  571.670  198.106  868.270  124.370 -296.6007 233.9104 
1 1 1   16    5   39 o  682.066  150.441   8.6726   3.1267   0.0000   0.0000   8.6726   3.1267  ?   ?   682.066  150.441 0.000000 150.4409 
1 1 1   16    5   41 o  759.303  144.787   11.147   3.3168   0.0000   0.0000   11.147   3.3168  ?   ?   759.303  144.787 0.000000 144.7866 
1 1 1   16    5   43 o  806.901  169.483   14.542   4.1459   11.083   5.4192   19.424   6.4381  595.802  219.924  791.943  239.356 -196.1407 325.0509 
1 1 1   16    5   45 o  557.209  141.300   6.8846   2.4689   7.3351   4.0249   6.6128   3.1261  488.441  187.483  501.517  168.528 -13.07629 252.0945 
1 1 1   16    5   47 o  274.935  124.486   0.6940   2.3036  -9.3769   4.6241   4.0185   2.6568  234.938  119.257  384.362  150.980 -149.4245 192.3988 
1 1 1   16    5   49 o  324.804  146.974   3.1508   3.2053   0.0000   0.0000   3.1508   3.2053  ?   ?   324.804  146.974 0.000000 146.9736 
1 1 1   16    5   51 o  302.465  142.819   3.7623   3.5444   0.0000   0.0000   3.7623   3.5444  ?   ?   302.465  142.819 0.000000 142.8186 
1 1 1   16    6    0 o  343.573   94.558   1.9197   1.0493   0.4427   1.4575   3.5092   1.5120  269.608  109.782  462.091  106.660 -192.4836 153.0633 
1 1 1   16    6    2 o  1775.38   73.246   49.597   4.0718   50.759   5.7644   48.440   5.7525  1788.71  103.360  1746.72  105.673 41.98779 147.8178 
1 1 1   16    6    4 o  1308.24   70.239   27.010   2.8668   25.139   4.0605   28.870   4.0480  1255.85  104.199  1348.02   96.540 -92.17212 142.0471 
1 1 1   16    6    6 o  293.364   94.802   1.3223   0.9925   0.4504   1.4526   2.0858   1.3593  269.056  109.581  361.555  110.139 -92.49881 155.3661 
1 1 1   16    6    8 o  1198.05   81.206   22.776   3.0284   18.478   5.3216   24.834   3.6829  1055.17  166.594  1248.30   94.933 -193.1315 191.7442 
1 1 1   16    6   10 o  1229.90   99.556   24.194   3.8011   24.545   5.4391   23.859   5.3143  1224.84  144.606  1207.84  143.310 17.00635 203.5889 
1 1 1   16    6   12 o  2303.69  114.001   84.907   8.2234   0.0000   0.0000   84.907   8.2234  ?   ?   2303.69  114.001 0.000000 114.0012 
1 1 1   16    6   14 o  1167.86   81.772   21.715   2.9714   17.814   5.1585   23.652   3.6351  1030.35  165.490  1215.28   96.315 -184.9211 191.4769 
1 1 1   16    6   16 o  896.354  150.926   13.464   4.0856   0.0000   0.0000   13.464   4.0856  ?   ?   896.354  150.926 0.000000 150.9265 
1 1 1   16    6   18 o  1528.25  150.242   38.789   7.0967   0.0000   0.0000   38.789   7.0967  ?   ?   1528.25  150.242 0.000000 150.2424 
1 1 1   16    6   20 o  695.136   96.660   7.8950   2.0470   7.6321   2.4783   8.4594   3.6312  675.438  121.654  695.615  168.494 -20.17773 207.8220 
1 1 1   16    6   22 o  640.647   86.509   6.6815   1.6910   5.7313   2.4837   7.5027   2.3088  577.493  139.021  670.901  113.981 -93.40826 179.7738 
1 1 1   16    6   24 o  1033.13   72.091   17.054   2.3175   20.437   3.2883   13.715   3.2667  1123.75   94.324  910.522  117.307 213.2302 150.5259 
1 1 1   16    6   26 o  317.715  116.403   1.3611   1.5139   1.6073   2.1502   1.1189   2.1320  360.540  137.355  338.392  134.506 22.14862 192.2450 
1 1 1   16    6   28 o  1165.16   84.462   21.817   3.0606   21.847   5.2334   21.801   3.7731  1135.15  150.980  1156.58  105.340 -21.43762 184.0965 
1 1 1   16    6   30 o  598.769  106.637   5.9799   1.9260   7.5721   3.0376   4.9094   2.4908  659.414  150.439  532.440  145.331 126.9730 209.1725 
1 1 1   16    6   32 o  1113.43  110.554   20.471   3.8034   18.874   4.9628   22.744   5.9210  1042.40  156.910  1135.27  171.945 -92.87451 232.7785 
1 1 1   16    6   34 o  2904.45  104.479  138.113   9.5019  140.866   16.281  136.691   11.702  2798.20  186.887  2854.07  130.938 -55.87231 228.1915 
1 1 1   16    6   36 o  2014.30   79.520   65.432   5.0155   66.987   7.1250   63.905   7.0615  2004.89  113.966  1956.18  115.800 48.70129 162.4740 
1 1 1   16    6   38 o  2301.27  120.799   90.430   8.6742   0.0000   0.0000   90.430   8.6742  ?   ?   2301.27  120.799 0.000000 120.7989 
1 1 1   16    6   40 o  1124.11  130.199   22.890   4.4980   0.0000   0.0000   22.890   4.4980  ?   ?   1124.11  130.199 0.000000 130.1992 
1 1 1   16    6   42 o  496.346  210.570   6.4731   5.6855   0.0000   0.0000   6.4731   5.6855  ?   ?   496.346  210.570 0.000000 210.5704 
1 1 1   16    6   44 o  648.679  125.603   8.4051   2.4590   14.463   4.6275   6.0213   2.9028  738.167  196.666  501.333  162.143 236.8341 254.8876 
1 1 1   16    6   46 o  368.615  142.265   3.1839   2.3266   8.4946   4.5322   1.2835   2.7111  482.995  194.693  307.981  137.598 175.0139 238.4087 
1 1 1   16    6   48 o  484.115  178.741   8.3083   3.5800   0.0000   0.0000   8.3083   3.5800  ?   ?   484.115  178.741 0.000000 178.7410 
1 1 1   16    6   50 o  496.760  200.204   14.172   4.7914   0.0000   0.0000   14.172   4.7914  ?   ?   496.760  200.204 0.000000 200.2045 
1 1 1   16    7    1 o  3265.27   94.048  168.376   9.6159  164.275   13.601  172.476   13.597  3210.51  135.290  3291.09  131.945 -80.58008 188.9783 
1 1 1   16    7    3 o  1788.21   73.435   50.356   4.1119   49.218   5.8208   51.491   5.8093  1759.24  106.165  1800.22  103.493 -40.97766 148.2630 
1 1 1   16    7    5 o  2350.12   79.343   87.126   5.8387   84.663   8.2644   89.580   8.2500  2307.33  114.389  2374.46  110.961 -67.13452 159.3651 
1 1 1   16    7    7 o  701.081   73.765   7.8354   1.5950   7.7007   2.2770   7.9652   2.2350  687.720  109.404  700.671  105.114 -12.95142 151.7170 
1 1 1   16    7    9 o  966.888   82.665   14.890   2.4787   12.290   4.3537   16.137   3.0150  854.655  168.674  1003.72   97.146 -149.0617 194.6496 
1 1 1   16    7   11 o  1927.85  109.477   59.485   6.5814   53.940   9.3584   64.910   9.2573  1809.46  167.059  1995.88  149.206 -186.4247 223.9889 
1 1 1   16    7   13 o  797.263  107.803   10.323   2.6222   0.0000   0.0000   10.323   2.6222  ?   ?   797.263  107.803 0.000000 107.8035 
1 1 1   16    7   15 o  1424.66  106.125   32.626   4.7002   29.042   6.7520   35.996   6.5470  1318.45  167.317  1481.66  142.888 -163.2067 220.0268 
1 1 1   16    7   17 o  554.999   89.760   5.0251   1.5066   4.7148   2.1928   5.3025   2.0736  528.656  132.676  562.888  121.231 -34.23199 179.7220 
1 1 1   16    7   19 f  631.862  113.191   6.6319   2.1573   3.7827   2.9667   9.8285   3.1425  485.866  164.171  764.389  136.290 -278.5228 213.3705 
1 1 1   16    7   21 o  443.697  114.739   3.3150   1.6060   0.9234   2.7740   4.5206   1.9696  364.666  150.308  516.453  123.468 -151.7878 194.5170 
1 1 1   16    7   23 o  981.273   85.533   15.501   2.6018   17.398   4.4516   14.517   3.2065  1016.12  143.938  940.594  111.010 75.52991 181.7724 
1 1 1   16    7   25 f  1518.01   85.488   36.912   4.0469   40.874   6.9465   34.877   4.9792  1566.75  143.177  1464.96  109.334 101.7937 180.1489 
1 1 1   16    7   27 o  866.533   89.259   12.135   2.3872   14.977   4.0392   10.610   2.9594  943.591  141.034  798.697  122.221 144.8941 186.6244 
1 1 1   16    7   29 o  1029.93   76.064   16.988   2.4357   22.177   3.5521   12.382   3.3462  1169.43   97.905  860.075  128.167 309.3585 161.2825 
1 1 1   16    7   31 o  285.739  111.739   0.8624   1.4499  -0.3895   2.2711   1.7235   1.8836  291.481  128.303  352.714  129.747 -61.23349 182.4713 
1 1 1   16    7   33 o  1768.71   76.665   50.086   4.2459   50.241   6.0015   49.931   6.0078  1747.99  110.214  1742.20  110.703 5.791260 156.2118 
1 1 1   16    7   35 o  715.353   95.740   8.4545   2.0907   4.6828   3.0295   11.884   2.8890  515.966  165.515  842.589  112.297 -326.6224 200.0142 
1 1 1   16    7   37 o  1727.35   92.129   48.936   4.9650   51.017   8.2742   47.766   6.2067  1692.03  157.999  1681.75  118.624 10.27917 197.5737 
1 1 1   16    7   39 o  511.768  160.692   5.0282   2.8681   5.7272   3.5601   3.7356   4.8412  536.490  179.847  480.001  198.277 56.48871 267.6915 
1 1 1   16    7   41 o  848.760  152.707   14.246   3.9092   20.824   5.2367   5.9653   5.8752  1000.40  173.459  504.675  214.077 495.7288 275.5301 
1 1 1   16    7   43 o  544.468  204.318   8.5054   4.7155   8.5054   4.7155   0.0000   0.0000  544.468  204.318  ?   ?  0.000000 204.3180 
1 1 1   16    7   49 o  371.998  171.282   6.4292   4.6054   6.4292   4.6054   0.0000   0.0000  371.998  171.282  ?   ?  0.000000 171.2819 
1 1 1   16    8    0 o  1937.48   75.148   59.119   4.5590   60.607   6.4737   57.655   6.4214  1953.19  106.250  1904.38  108.132 48.80469 151.5970 
1 1 1   16    8    2 o  1390.75   81.890   30.613   3.5504   32.995   4.3993   26.164   6.0124  1440.72   98.103  1267.20  154.740 173.5205 183.2176 
1 1 1   16    8    4 o  860.457   84.774   11.803   2.2544   13.278   2.7736   8.9324   3.8701  910.336   98.893  728.286  172.384 182.0501 198.7360 
1 1 1   16    8    6 o  931.759   72.625   13.769   2.1021   13.347   3.0145   14.169   2.9329  910.201  107.868  939.688  101.278 -29.48676 147.9624 
1 1 1   16    8    8 o  1377.80   82.345   30.115   3.5363   32.430   6.2711   29.035   4.2821  1411.68  143.881  1348.02  102.208 63.66577 176.4883 
1 1 1   16    8   10 o  1623.86   85.070   41.850   4.3105   42.063   5.3155   41.440   7.3667  1622.23  105.211  1593.77  149.358 28.46899 182.6941 
1 1 1   16    8   12 o  1130.79  100.740   20.505   3.5296   0.0000   0.0000   20.505   3.5296  ?   ?   1130.79  100.740 0.000000 100.7402 
1 1 1   16    8   14 o  856.222  108.652   11.896   2.8474   0.0000   0.0000   11.896   2.8474  ?   ?   856.222  108.652 0.000000 108.6522 
1 1 1   16    8   16 o  296.259  125.328   0.1869   2.0049   0.0000   0.0000   0.1869   2.0049  ?   ?   296.259  125.328 0.000000 125.3279 
1 1 1   16    8   18 o  694.897  163.375   8.3338   3.4950   0.0000   0.0000   8.3338   3.4950  ?   ?   694.897  163.375 0.000000 163.3753 
1 1 1   16    8   20 o  1376.29  101.262   30.608   4.3332   23.614   6.0700   37.877   6.1879  1174.84  169.941  1516.17  131.646 -341.3267 214.9670 
1 1 1   16    8   22 o  530.643  111.818   4.7147   1.7993   7.4253   2.3473   0.8527   2.8019  667.951  116.465  364.372  150.704 303.5794 190.4618 
1 1 1   16    8   24 o  1056.31   86.456   17.915   2.8345   16.492   4.7904   18.681   3.5162  983.895  161.065  1072.21  106.123 -88.31641 192.8835 
1 1 1   16    8   26 o  1266.55   75.081   25.567   2.9643   26.859   4.2928   24.388   4.0983  1286.59  107.544  1225.44  107.907 61.14673 152.3469 
1 1 1   16    8   28 o  214.776   93.974  -0.2286   1.2024  -1.1035   1.8614   0.3979   1.5752  242.234  110.541  273.055  112.970 -30.82092 158.0557 
1 1 1   16    8   30 o  564.995  114.156   5.3708   1.9501   5.5912   3.0094   5.2112   2.5603  566.157  161.718  548.869  146.310 17.28870 218.0812 
1 1 1   16    8   32 o  554.263  117.846   5.2148   1.9823   4.4997   3.0476   5.7392   2.6098  512.944  166.162  573.860  145.141 -60.91602 220.6258 
1 1 1   16    8   34 o  1212.25   90.242   23.853   3.4009   26.624   5.5176   22.155   4.3190  1248.67  143.742  1151.66  121.606 97.00586 188.2808 
1 1 1   16    8   36 o  2236.77  175.635   89.954   12.202   89.954   12.202   0.0000   0.0000  2236.77  175.635  ?   ?  0.000000 175.6348 
1 1 1   16    8   38 o  511.241  173.891   4.8964   3.3287   4.8964   3.3287   0.0000   0.0000  511.241  173.891  ?   ?  0.000000 173.8910 
1 1 1   16    8   40 o  711.537  186.574   10.834   4.2080   10.834   4.2080   0.0000   0.0000  711.537  186.574  ?   ?  0.000000 186.5744 
1 1 1   16    8   42 o  558.915  245.737   11.489   8.3103   11.489   8.3103   0.0000   0.0000  558.915  245.737  ?   ?  0.000000 245.7366 
1 1 1   16    8   44 o  306.887  141.143   0.1014   3.1153  -1.6117   3.4771   7.0718   7.0140  288.437  137.698  457.225  210.834 -168.7879 251.8166 
1 1 1   16    8   46 f  481.317  217.643   12.108   7.0146   16.180   10.511   8.8388   9.4184  456.694  223.078  415.977  204.795 40.71753 302.8282 
1 1 1   16    9    1 o  1411.58   82.344   31.547   3.6238   34.518   4.4821   25.939   6.1577  1473.53   97.697  1259.45  159.733 214.0752 187.2412 
1 1 1   16    9    3 o  1399.90   81.532   31.036   3.5584   31.668   6.1702   30.721   4.3557  1397.93  142.973  1388.56  100.867 9.365601 174.9724 
1 1 1   16    9    5 o  343.930  107.144   1.8691   1.2779  -2.3234   2.0905   4.3705   1.6147  232.654  109.803  515.831  103.570 -283.1766 150.9416 
1 1 1   16    9    7 o  575.724  116.788   5.4698   2.0334   0.0000   0.0000   5.4698   2.0334  ?   ?   575.724  116.788 0.000000 116.7879 
1 1 1   16    9    9 o  556.626  118.272   5.1292   1.9978   3.5765   2.7795   6.7888   2.8735  479.062  158.869  636.418  147.137 -157.3558 216.5379 
1 1 1   16    9   11 o  276.456  108.307   0.7359   1.3641  -0.7311   1.8875   2.3397   1.9736  257.410  114.921  394.409  133.897 -136.9992 176.4516 
1 1 1   16    9   13 o  1065.25  105.714   18.274   3.4796   0.0000   0.0000   18.274   3.4796  ?   ?   1065.25  105.714 0.000000 105.7144 
1 1 1   16    9   15 o  617.031  107.378   6.2590   1.9993   2.3896   3.9349   7.6054   2.3212  466.975  183.642  680.174  112.950 -213.1984 215.5973 
1 1 1   16    9   17 o  238.747  103.853  -0.2030   1.4498   0.0000   3.2052  -0.2553   1.6256  361.655  155.861  251.411  109.655 110.2439 190.5697 
1 1 1   16    9   19 o  477.739  124.671   3.8439   1.8848   3.2982   4.0878   3.9913   2.1240  497.097  189.385  486.510  134.784 10.58707 232.4508 
1 1 1   16    9   21 o  869.915   92.981   12.228   2.4935   11.299   3.1687   13.740   4.0410  824.957  126.719  902.801  148.085 -77.84412 194.9026 
1 1 1   16    9   23 o  214.283   92.676  -0.1161   1.1414  -1.5161   1.5932   1.3597   1.6358  208.941   97.740  325.039  120.661 -116.0977 155.2812 
1 1 1   16    9   25 o  1291.20   87.815   26.697   3.5293   31.534   5.8634   23.948   4.4196  1382.67  137.243  1211.70  117.982 170.9714 180.9844 
1 1 1   16    9   27 o  987.490   93.015   15.733   2.8422   18.015   4.5698   14.294   3.6296  1036.92  144.687  928.522  128.264 108.3983 193.3545 
1 1 1   16    9   29 o  2105.48  112.527   72.114   7.3918   67.232   10.447   77.008   10.460  1986.23  169.598  2138.41  157.326 -152.1763 231.3324 
1 1 1   16    9   31 o  1910.98   91.747   58.715   5.4899   61.794   6.8603   53.232   9.1547  1944.32  113.172  1760.11  168.152 184.2020 202.6899 
1 1 1   16    9   33 o  1042.29  104.914   17.823   3.3775   17.132   4.8081   18.497   4.7456  992.966  160.083  1038.25  150.348 -45.28394 219.6158 
1 1 1   16    9   35 o  3232.74  144.684  177.883   14.646  177.883   14.646   0.0000   0.0000  3232.74  144.684  ?   ?  0.000000 144.6845 
1 1 1   16    9   37 o  513.720  162.976   4.8200   2.9435   4.8200   2.9435   0.0000   0.0000  513.720  162.976  ?   ?  0.000000 162.9758 
1 1 1   16    9   39 o  1721.94  106.293   50.763   5.7031   59.928   7.0289   33.105   9.7570  1846.28  122.275  1133.36  277.224 712.9205 302.9927 
1 1 1   16    9   41 o  432.941  156.803   3.7153   2.7358   2.0512   3.2261   7.9769   5.1625  379.859  159.741  557.601  212.735 -177.7412 266.0326 
1 1 1   16    9   43 o  489.153  221.271   7.7595   7.2586   0.0000   0.0000   7.7595   7.2586  ?   ?   489.153  221.271 0.000000 221.2715 
1 1 1   16    9   45 o  280.107  118.163   0.9866   1.7742  -0.1555   3.4585   1.3945   2.0669  306.339  143.525  304.957  128.033 1.381653 192.3326 
1 1 1   16    9   47 o  458.107  162.505   5.8906   2.9221   0.0000   0.0000   5.8906   2.9221  ?   ?   458.107  162.505 0.000000 162.5048 
1 1 1   16    9   49 o  385.520  151.950   4.6178   2.6996   0.0000   0.0000   4.6178   2.6996  ?   ?   385.520  151.950 0.000000 151.9498 
1 1 1   16   10    0 o  1347.47  101.234   28.930   4.2401   30.476   6.0498   27.437   5.9444  1371.71  142.952  1298.97  148.832 72.73962 206.3640 
1 1 1   16   10    2 o  2296.57   92.204   83.439   6.6305   90.595   11.521   79.895   8.1080  2365.42  156.424  2237.62  116.119 127.8010 194.8133 
1 1 1   16   10    4 o  1548.55   83.170   37.980   4.0181   46.359   7.0122   33.884   4.9028  1696.92  133.036  1456.49  108.277 240.4266 171.5300 
1 1 1   16   10    6 o  1195.02  100.884   22.812   3.7397   20.945   5.2167   24.786   5.3638  1130.67  151.130  1234.69  141.281 -104.0204 206.8834 
1 1 1   16   10    8 o  1516.89   85.775   36.505   4.0574   35.167   5.0085   39.061   6.9204  1482.83  108.626  1551.18  144.128 -68.34766 180.4785 
1 1 1   16   10   10 o  1653.39   86.518   43.393   4.4636   43.821   5.5023   42.569   7.6336  1655.70  106.700  1614.53  152.814 41.16809 186.3790 
1 1 1   16   10   12 o  533.514  113.794   4.7169   1.8430   4.3388   2.2675   5.4527   3.1636  509.930  138.449  570.802  166.630 -60.87177 216.6415 
1 1 1   16   10   14 o  1396.18   82.810   31.014   3.6041   29.117   6.1250   32.019   4.4574  1328.84  149.818  1413.13  101.411 -84.29248 180.9136 
1 1 1   16   10   16 o  1448.90  105.749   33.808   4.7645   0.0000   0.0000   33.808   4.7645  ?   ?   1448.90  105.749 0.000000 105.7486 
1 1 1   16   10   18 o  1749.34   91.531   48.940   4.9963   54.300   8.8866   46.462   6.0416  1806.04  158.755  1694.32  114.551 111.7192 195.7679 
1 1 1   16   10   20 o  713.990  115.422   8.4079   2.4924   6.5438   4.8752   9.0676   2.9001  625.201  210.455  737.348  130.377 -112.1465 247.5676 
1 1 1   16   10   22 o  2084.09  110.660   69.973   7.1956   62.514   10.124   77.588   10.229  1933.77  168.886  2168.66  151.593 -234.8984 226.9425 
1 1 1   16   10   24 o  414.503  130.211   2.7761   1.8830   2.4477   2.5566   3.1654   2.7838  417.410  151.518  456.386  158.870 -38.97656 219.5389 
1 1 1   16   10   26 o  3095.60  106.899  154.038   10.362  141.087   12.739  179.355   17.811  2936.76  138.536  3266.30  174.785 -329.5408 223.0292 
1 1 1   16   10   28 o  228.785  102.025  -0.5350   1.4831   1.1492   2.1323  -2.1132   2.0642  340.625  134.794  233.222  109.778 107.4032 173.8407 
1 1 1   16   10   30 f  1088.79  104.653   19.308   3.5240   17.697   5.0072   20.888   4.9604  1014.90  163.085  1113.59  145.757 -98.68542 218.7279 
1 1 1   16   10   32 o  707.005  108.653   8.2845   2.3284   5.4187   3.6630   10.228   3.0162  560.499  182.211  779.531  128.012 -219.0326 222.6832 
1 1 1   16   10   34 o  2283.69  105.987   85.061   7.5789   93.404   9.2795   68.346   13.135  2371.42  125.414  1913.42  223.434 457.9969 256.2249 
1 1 1   16   10   36 o  1880.74  124.200   59.737   7.2731   72.364   9.9125   45.012   10.704  2027.05  157.407  1500.30  235.623 526.7488 283.3637 
1 1 1   16   10   38 o  1495.00  103.095   37.719   4.7966   42.298   5.8837   28.644   8.2827  1562.35  121.218  1136.99  240.176 425.3640 269.0321 
1 1 1   16   10   40 o  742.529  148.853   10.651   3.3404   11.449   4.0656   8.9944   5.8599  739.894  177.714  593.632  226.610 146.2621 287.9827 
1 1 1   16   10   42 f  734.109  116.010   9.9614   2.5781   7.2897   3.8653   12.102   3.4602  549.572  187.382  775.457  147.901 -225.8853 238.7185 
1 1 1   16   10   44 o  489.425  137.277   5.0536   2.1891   3.5114   3.4280   6.1156   2.8446  401.038  166.349  513.237  159.851 -112.1983 230.7040 
1 1 1   16   10   46 o  ?   ?   -3.7862   0.9360   5.9507   9.5277  -3.8811   0.9406  404.932  200.569  ?   ?  0.000000 200.5690 
1 1 1   16   10   48 o  323.580  136.364   2.3400   2.3590   0.0000   0.0000   2.3400   2.3590  ?   ?   323.580  136.364 0.000000 136.3642 
1 1 1   16   11    1 o  2789.39  100.899  123.295   8.8128  121.759   15.297  124.058   10.782  2731.32  179.864  2789.72  123.431 -58.39185 218.1426 
1 1 1   16   11    3 o  814.488   89.911   10.612   2.2548   10.458   2.8137   10.888   3.7697  803.073  115.191  809.788  154.301 -6.714722 192.5559 
1 1 1   16   11    5 o  2054.99   89.336   66.786   5.7485   70.057   10.007   65.175   7.0230  2078.73  154.849  2021.53  111.379 57.20288 190.7441 
1 1 1   16   11    7 o  1013.38   86.802   16.355   2.7278   16.596   3.4251   15.938   4.5104  1015.88  109.401  983.642  151.289 32.23438 186.7000 
1 1 1   16   11    9 o  1413.66   72.893   31.610   3.2156   33.958   4.6107   29.386   4.4870  1458.53  101.591  1354.95  106.620 103.5776 147.2699 
1 1 1   16   11   11 o  744.080   92.662   8.9160   2.1122   4.6837   3.2004   12.182   2.8114  536.577  169.908  868.394  105.562 -331.8168 200.0303 
1 1 1   16   11   13 o  944.364   90.883   14.294   2.6542   13.835   4.2519   14.587   3.3975  909.594  154.834  947.044  117.064 -37.45032 194.1070 
1 1 1   16   11   15 o  634.070  105.373   6.5917   2.0187   5.9591   3.0037   7.1128   2.7262  592.056  158.761  650.534  138.104 -58.47827 210.4227 
1 1 1   16   11   17 o  547.744  117.463   5.0034   1.9542   5.5259   3.0664   4.6461   2.5358  570.835  163.306  525.388  147.886 45.44617 220.3162 
1 1 1   16   11   19 o  654.409  170.362   7.3535   3.5250   0.0000   0.0000   7.3535   3.5250  ?   ?   654.409  170.362 0.000000 170.3620 
1 1 1   16   11   21 o  789.395  165.616   10.611   3.9631   0.0000   0.0000   10.611   3.9631  ?   ?   789.395  165.616 0.000000 165.6157 
1 1 1   16   11   23 o  559.860  205.348   4.5829   4.7134   4.5829   4.7134   0.0000   0.0000  559.860  205.348  ?   ?  0.000000 205.3477 
1 1 1   16   11   25 o  1893.29  108.208   57.692   6.3884   47.635   9.0164   67.830   9.0527  1684.00  173.474  2033.22  143.105 -349.2137 224.8830 
1 1 1   16   11   27 o  282.919  123.336  -0.2734   2.0543   0.0000   0.0000  -0.2734   2.0543  ?   ?   282.919  123.336 0.000000 123.3360 
1 1 1   16   11   29 o  1030.92   80.511   17.019   2.5783   17.839   3.6667   16.218   3.6263  1044.24  113.991  993.224  118.966 51.01154 164.7631 
1 1 1   16   11   31 o  2360.40   97.922   89.631   7.2374   85.950   12.224   91.618   8.9808  2240.81  175.616  2366.60  121.603 -125.7937 213.6078 
1 1 1   16   11   33 o  874.260  131.075   12.876   3.4776   0.0000   0.0000   12.876   3.4776  ?   ?   874.260  131.075 0.000000 131.0748 
1 1 1   16   11   35 o  424.397  156.353   2.7167   2.7368   2.7167   2.7368   0.0000   0.0000  424.397  156.353  ?   ?  0.000000 156.3532 
1 1 1   16   11   37 o  586.736  152.078   6.3666   2.8170   5.6155   3.3504   8.1783   5.2036  544.157  174.009  627.889  217.286 -83.73199 278.3742 
1 1 1   16   11   39 o  840.957  135.911   12.960   3.4568   10.529   4.2060   18.018   6.0679  709.041  186.826  896.028  218.286 -186.9871 287.3195 
1 1 1   16   11   41 o  357.966  128.920   2.2580   1.8457   2.4558   2.7931   2.1045   2.4592  384.156  153.548  363.780  144.503 20.37527 210.8510 
1 1 1   16   11   43 o  548.130  132.542   6.0036   2.2499   6.2268   3.3648   5.8232   3.0257  511.678  174.828  505.087  165.673 6.591797 240.8577 
1 1 1   16   11   45 o  396.509  148.659   3.5072   2.4952  -4.6407   9.7817   4.0743   2.5806  368.981  185.721  419.967  152.260 -50.98682 240.1571 
1 1 1   16   11   47 o  368.004  145.268   3.2470   2.4709   13.275   10.409   2.6482   2.5436  426.609  211.008  345.531  143.306 81.07828 255.0705 
1 1 1   16   12    0 f  1486.81  104.494   35.213   4.8339   35.213   4.8339   0.0000   0.0000  1486.81  104.494  ?   ?  0.000000 104.4945 
1 1 1   16   12    2 o  2692.43   85.529  114.480   7.2106  119.634   10.240  109.412   10.155  2741.24  119.301  2619.84  123.792 121.3933 171.9223 
1 1 1   16   12    4 o  815.577   78.727   10.589   1.9855   10.171   2.7769   11.026   2.8401  791.653  115.416  825.460  112.837 -33.80701 161.4099 
1 1 1   16   12    6 o  475.839  130.386   3.7391   2.0003   2.9515   3.7783   4.0457   2.3578  485.046  182.720  496.115  143.574 -11.06927 232.3788 
1 1 1   16   12    8 o  1103.49   74.916   19.302   2.5733   21.372   3.6220   17.191   3.6565  1155.86  101.091  1032.27  115.084 123.5916 153.1788 
1 1 1   16   12   10 o  448.193  112.900   3.3303   1.5836   3.3134   2.1667   3.3496   2.3204  452.539  139.273  457.347  144.661 -4.808258 200.8073 
1 1 1   16   12   12 o  542.150  127.813   4.9124   2.1344   4.1455   2.8116   5.9556   3.2790  504.996  159.182  594.063  168.500 -89.06741 231.8001 
1 1 1   16   12   14 o  994.808   90.884   15.851   2.7997   14.715   3.4981   17.875   4.6700  950.156  120.269  1039.05  147.694 -88.89453 190.4686 
1 1 1   16   12   16 o  353.678  127.701   1.7130   1.8125   1.3531   2.4122   2.1797   2.7469  366.156  143.851  414.777  155.885 -48.62091 212.1159 
1 1 1   16   12   18 f  353.960  127.964   1.7083   1.8208   2.0591   2.4501   1.2754   2.7213  397.918  147.677  378.882  151.519 19.03564 211.5811 
1 1 1   16   12   20 o  971.707   97.686   15.171   2.9320   16.143   4.6846   14.545   3.7593  983.804  157.375  941.719  131.039 42.08496 204.7883 
1 1 1   16   12   22 o  1442.71  114.951   33.552   5.1498   27.984   7.7524   37.949   6.8896  1279.99  199.965  1521.80  146.390 -241.8068 247.8224 
1 1 1   16   12   24 o  448.481  141.665   3.2483   2.2259   6.8730   4.8709   2.2915   2.5025  640.776  210.205  409.596  149.719 231.1800 258.0733 
1 1 1   16   12   26 o  577.643  112.386   5.5364   1.9596   6.1909   2.7306   4.8414   2.8139  603.654  146.047  536.062  157.340 67.59198 214.6760 
1 1 1   16   12   28 o  1053.51   93.826   17.869   3.0627   17.404   4.8197   18.184   3.9666  1015.57  156.597  1052.82  122.619 -37.25647 198.8924 
1 1 1   16   12   30 o  1580.38  155.093   41.843   7.5760   0.0000   0.0000   41.843   7.5760  ?   ?   1580.38  155.093 0.000000 155.0934 
1 1 1   16   12   32 o  921.446   94.594   13.778   2.6906   14.111   3.5383   13.322   4.1429  920.526  126.068  880.568  155.963 39.95758 200.5434 
1 1 1   16   12   34 f  609.558  115.604   6.2880   2.1258   1.2731   3.1531   10.467   2.8782  389.140  160.305  788.525  120.388 -399.3850 200.4770 
1 1 1   16   12   36 o  1009.76  130.684   17.636   4.0351   21.120   5.0915   11.755   6.6164  1087.41  153.825  735.751  245.167 351.6591 289.4285 
1 1 1   16   12   38 o  1171.86  108.140   23.500   3.9233   23.322   4.7300   23.893   7.0238  1141.38  134.958  1054.68  219.813 86.70020 257.9369 
1 1 1   16   12   40 o  739.872  144.441   10.453   3.2262   8.2204   3.5492   21.071   7.7405  625.710  174.547  870.776  262.289 -245.0656 315.0587 
1 1 1   16   12   42 o  500.863  135.495   4.9661   2.1764   7.7967   3.2326   2.6191   2.9435  599.546  166.343  387.299  156.628 212.2472 228.4783 
1 1 1   16   12   44 o  658.116  155.533   9.4248   3.1544   27.232   10.202   7.5424   3.3169  705.339  289.193  561.192  172.255 144.1481 336.6072 
1 1 1   16   12   46 o  333.875  147.104   1.7569   2.9923   3.4714   3.1331 -16.0371   10.094  384.216  159.174  ?   ?  0.000000 159.1744 
1 1 1   16   13    1 o  1242.85   91.914   24.552   3.5516   25.990   4.2901   21.419   6.3317  1275.26  108.466  1134.41  184.599 140.8552 214.1064 
1 1 1   16   13    3 o  1995.20   91.158   62.955   5.6951   65.855   6.9401   56.977   9.9652  2033.35  109.404  1867.12  172.396 166.2286 204.1806 
1 1 1   16   13    7 o  629.231  138.305   6.5994   2.6507   6.5994   2.6507   0.0000   0.0000  629.231  138.305  ?   ?  0.000000 138.3055 
1 1 1   16   13    9 o  2302.16  166.909   86.849   11.950   86.849   11.950   0.0000   0.0000  2302.16  166.909  ?   ?  0.000000 166.9087 
1 1 1   16   13   11 o  691.016  132.786   7.9249   2.7687   7.9249   2.7687   0.0000   0.0000  691.016  132.786  ?   ?  0.000000 132.7861 
1 1 1   16   13   13 o  1049.61   97.638   17.661   3.1722   18.718   3.7750   15.120   5.8516  1076.47  113.715  934.968  205.483 141.5024 234.8500 
1 1 1   16   13   15 o  468.094  132.461   3.6232   2.0288   3.3913   2.2906   4.4672   4.3707  458.724  143.535  551.858  198.424 -93.13422 244.8964 
1 1 1   16   13   17 o  557.758  153.862   5.2083   2.7745   7.5573   3.3120  -0.3193   5.0807  668.784  160.254  447.300  194.492 221.4842 252.0089 
1 1 1   16   13   19 o  224.628  103.091  -1.1646   1.6499  -1.5797   1.7943   1.1085   4.1988  225.675  104.951  443.314  184.012 -217.6393 211.8377 
1 1 1   16   13   21 o  365.007  136.338   1.6657   2.0949   1.8654   2.3583   0.9187   4.5611  386.129  144.573  453.197  190.227 -67.06747 238.9303 
1 1 1   16   13   25 o  1021.27  212.505   18.281   6.5744   0.0000   0.0000   18.281   6.5744  ?   ?   1021.27  212.505 0.000000 212.5049 
1 1 1   16   13   27 o  414.257  171.031   1.1463   3.5994   5.3973   5.0996  -3.0738   5.0810  592.241  214.145  391.646  180.173 200.5951 279.8578 
1 1 1   16   13   29 o  592.367  143.285   5.9698   2.6287   5.9972   2.9413   5.8611   5.8600  591.759  156.379  617.621  228.552 -25.86200 276.9305 
1 1 1   16   13   31 o  347.336  136.199   1.2807   2.1586  -0.1043   2.3013   11.417   6.2259  304.335  131.611  785.718  234.908 -481.3837 269.2641 
1 1 1   16   13   33 o  1017.28  110.167   17.049   3.4531   16.488   3.9421   18.898   7.1582  990.709  130.234  993.415  233.978 -2.705383 267.7807 
1 1 1   16   13   35 o  825.082  137.065   11.843   3.4169   13.659   4.1791   8.1814   5.9344  873.336  158.665  645.222  231.292 228.1144 280.4830 
1 1 1   16   13   37 o  988.256  120.901   16.920   3.6632   19.866   4.4246   10.501   6.5316  1058.16  136.738  677.711  242.682 380.4489 278.5526 
1 1 1   16   13   39 o  979.971  140.619   17.695   4.1913   15.585   4.7841   24.660   8.6925  878.262  180.013  954.240  275.533 -75.97760 329.1248 
1 1 1   16   13   41 o  793.021  155.961   12.533   3.7347   13.358   4.0437   7.7414   9.7417  808.608  165.286  535.083  247.343 273.5242 297.4860 
1 1 1   16   13   43 o  381.858  190.896  -7.5324   9.4874   0.0000   0.0000  -7.5324   9.4874  ?   ?   381.858  190.896 0.000000 190.8961 
1 1 1   16   13   45 o  388.328  157.574   3.2265   2.9900   1.6803   3.1243   20.060   10.308  344.018  150.977  564.509  258.562 -220.4911 299.4138 
1 1 1   16   14    0 o  2984.59  130.114  142.247   12.160  142.247   12.160   0.0000   0.0000  2984.59  130.114  ?   ?  0.000000 130.1144 
1 1 1   16   14    2 o  1034.13  115.053   17.214   3.6624   17.214   3.6624   0.0000   0.0000  1034.13  115.053  ?   ?  0.000000 115.0534 
1 1 1   16   14    4 o  452.241  179.007   1.9786   3.7615   1.9786   3.7615   0.0000   0.0000  452.241  179.007  ?   ?  0.000000 179.0069 
1 1 1   16   14    6 o  353.866  141.521   1.0507   2.3742   1.0507   2.3742   0.0000   0.0000  353.866  141.521  ?   ?  0.000000 141.5215 
1 1 1   16   14    8 o  1705.99   89.910   46.210   4.7859   47.252   5.8136   44.019   8.4301  1719.75  108.517  1637.44  166.745 82.31470 198.9469 
1 1 1   16   14   10 f  1085.44   96.723   18.837   3.2530   18.791   3.8812   18.946   5.9636  1079.04  116.731  1060.35  186.421 18.68616 219.9519 
1 1 1   16   14   12 o  630.771  145.894   6.6635   2.8242   9.5059   3.4746   1.1294   4.8483  754.212  152.371  471.744  196.931 282.4680 248.9952 
1 1 1   16   14   14 o  353.383  134.958   1.4166   2.0790   0.5225   2.3598   4.5167   4.3943  333.108  138.083  556.503  199.077 -223.3954 242.2782 
1 1 1   16   14   16 o  611.061  126.502   6.1826   2.3408   6.3796   2.6116   5.3782   5.2780  618.709  138.284  605.599  218.017 13.10956 258.1740 
1 1 1   16   14   18 o  392.038  150.344   1.7385   2.5868   0.7346   3.0168   4.5260   5.0271  377.398  156.258  572.874  211.748 -195.4760 263.1613 
1 1 1   16   14   20 o  978.596  125.398   15.568   3.7541   15.400   4.7711   15.839   6.0830  961.094  164.449  959.542  208.424 1.551453 265.4881 
1 1 1   16   14   22 o  671.437  154.393   7.6000   3.1782   11.254   3.9229   0.6216   5.4217  818.960  158.710  481.070  204.905 337.8902 259.1808 
1 1 1   16   14   24 o  991.133  129.915   16.075   3.9348   16.075   3.9348   0.0000   0.0000  991.133  129.915  ?   ?  0.000000 129.9151 
1 1 1   16   14   26 o  1036.98  148.565   17.844   4.6861   12.464   6.7247   22.923   6.5338  834.271  242.768  1160.91  186.024 -326.6390 305.8452 
1 1 1   16   14   28 o  799.787  190.008   11.144   4.6880   11.833   6.8367   10.532   6.4406  810.233  247.050  769.508  240.670 40.72430 344.8997 
1 1 1   16   14   30 o  1394.74  143.205   32.247   6.1654   32.439   8.9510   32.074   8.5046  1351.73  218.966  1351.83  207.549 -0.1030273 301.6997 
1 1 1   16   14   32 o  270.289  119.520  -0.4803   1.9929  -0.2564   2.1131  -2.2827   5.9957  285.857  124.839  434.333  198.276 -148.4756 234.3038 
1 1 1   16   14   34 o  504.185  155.808   4.4666   2.7085   4.6848   2.9646   3.3647   6.6616  515.517  163.561  542.411  228.898 -26.89392 281.3303 
1 1 1   16   14   36 o  621.337  148.271   7.0386   2.8445   8.0225   3.2620   3.9160   5.8112  657.306  159.998  518.261  215.913 139.0443 268.7337 
1 1 1   16   14   38 o  560.377  245.445   5.8857   8.2213   0.0000   0.0000   5.8857   8.2213  ?   ?   560.377  245.445 0.000000 245.4447 
1 1 1   16   14   40 o  418.310  159.626   3.1004   2.9070   1.9464   3.0820   12.403   8.7507  381.585  157.960  635.261  264.829 -253.6766 308.3596 
1 1 1   16   14   42 o  490.735  234.868   4.5274   10.253   0.0000   0.0000   4.5274   10.253  ?   ?   490.735  234.868 0.000000 234.8682 
1 1 1   16   14   44 o  341.045  144.732   1.6337   2.6873   1.5287   2.7753   3.2123   10.762  340.100  145.773  446.547  219.666 -106.4469 263.6343 
1 1 1   16   15    1 o  1070.10   94.745   18.261   3.1418   21.590   3.8170   11.267   5.5325  1161.74  106.100  811.256  214.516 350.4887 239.3207 
1 1 1   16   15    3 o  1600.78  112.996   40.947   5.6275   44.946   8.0294   37.088   7.8894  1662.73  156.046  1503.61  170.587 159.1222 231.1930 
1 1 1   16   15    5 o  1128.22  116.168   20.471   4.0452   20.471   4.0452   0.0000   0.0000  1128.22  116.168  ?   ?  0.000000 116.1683 
1 1 1   16   15    7 o  266.910  116.826  -0.3892   1.8598   0.3021   2.1070  -2.8271   3.9569  309.305  129.531  344.298  158.615 -34.99268 204.7859 
1 1 1   16   15    9 o  696.185  139.512   8.0337   2.9353   10.209   3.6214   3.8681   5.0117  783.505  153.101  553.993  210.025 229.5122 259.9042 
1 1 1   16   15   11 o  1440.83   96.227   33.011   4.3164   37.984   5.2205   22.265   7.6742  1542.83  108.759  1141.72  222.660 401.1116 247.8020 
1 1 1   16   15   13 o  1122.35  130.740   20.375   4.5086   22.962   6.2124   17.497   6.5533  1178.99  173.467  1013.20  213.308 165.7882 274.9380 
1 1 1   16   15   15 o  549.718  134.406   5.0212   2.2942   5.0716   2.5692   4.8227   5.0965  552.327  146.249  586.257  213.758 -33.93036 259.0006 
1 1 1   16   15   17 o  1170.84  118.386   22.044   4.2806   23.210   5.3795   20.031   7.0677  1193.48  147.061  1083.87  215.834 109.6147 261.1731 
1 1 1   16   15   19 o  793.548  132.859   10.342   3.1846   10.537   3.8516   9.9182   5.6617  793.843  160.468  762.041  223.046 31.80182 274.7712 
1 1 1   16   15   21 o  644.419  134.660   6.9057   2.6297   7.2470   3.0196   5.8340   5.3502  657.352  150.010  620.279  219.904 37.07318 266.1966 
1 1 1   16   15   23 o  910.945  121.886   13.510   3.3895   14.333   3.9295   11.120   6.6999  933.694  138.611  799.370  244.725 134.3235 281.2534 
1 1 1   16   15   25 o  374.957  150.393   1.1996   2.6897   1.1996   2.6897   0.0000   0.0000  374.957  150.393  ?   ?  0.000000 150.3929 
1 1 1   16   15   27 o  1419.04   99.421   32.250   4.3897   33.109   5.1625   30.011   8.3407  1432.10  116.126  1320.12  208.717 111.9789 238.8467 
1 1 1   16   15   31 o  624.557  216.604   6.6828   5.1723   10.612   8.0794   3.9545   6.7329  757.188  270.040  578.714  235.836 178.4744 358.5252 
1 1 1   16   15   33 o  402.711  152.642   2.2175   2.6469   4.9609   2.8689 -13.4817   6.8629  530.961  159.623  342.012  169.551 188.9489 232.8666 
1 1 1   16   15   35 o  254.630  116.670  -1.1607   2.1014  -0.8797   2.1900  -4.4221   7.4618  268.181  121.407  434.983  205.942 -166.8023 239.0644 
1 1 1   16   15   37 o  380.613  150.685   1.9317   2.6659   3.3873   2.8132 -10.8806   8.3464  442.976  159.200  389.946  192.136 53.02969 249.5214 
1 1 1   16   15   39 o  357.065  143.473   1.6654   2.4526   3.2233   2.5423 -19.2497   9.3152  424.447  151.469  354.800  178.916 69.64676 234.4222 
1 1 1   16   15   41 o  601.876  273.740   12.925   11.294   12.925   11.294   0.0000   0.0000  601.876  273.740  ?   ?  0.000000 273.7399 
1 1 1   16   15   43 o  694.289  173.477   10.598   3.7606   11.999   4.0014  -0.0012   11.007  738.388  175.625  449.772  221.426 288.6157 282.6193 
1 1 1   16   16    0 o  1172.40   92.747   21.859   3.3770   21.967   4.0825   21.626   6.0099  1171.01  112.732  1144.70  173.075 26.31470 206.5514 
1 1 1   16   16    2 o  1277.80  179.961   26.942   7.0010   26.942   7.0010   0.0000   0.0000  1277.80  179.961  ?   ?  0.000000 179.9614 
1 1 1   16   16    4 o  810.494  123.723   10.685   3.0404   9.4552   3.8725   12.661   4.9091  751.316  168.735  867.432  186.298 -116.1161 251.3535 
1 1 1   16   16    6 o  1022.90  101.702   16.722   3.2143   17.064   3.7838   15.836   6.0921  1029.45  119.612  966.658  207.476 62.79333 239.4855 
1 1 1   16   16    8 o  471.596  153.069   3.4697   2.5854   5.2717   3.0516  -1.1131   4.8665  565.768  163.224  425.302  187.482 140.4656 248.5789 
1 1 1   16   16   10 o  1224.09   98.635   23.842   3.7485   24.899   4.4545   21.279   6.9386  1247.48  115.343  1126.54  204.223 120.9388 234.5444 
1 1 1   16   16   12 o  1047.29  101.905   17.514   3.2995   18.901   3.8609   13.758   6.3533  1085.47  115.362  897.140  226.212 188.3347 253.9295 
1 1 1   16   16   14 o  384.423  150.033   1.4848   2.6100   1.4848   2.6100   0.0000   0.0000  384.423  150.033  ?   ?  0.000000 150.0335 
1 1 1   16   16   16 f  654.166  147.086   7.1209   2.9397   7.8278   3.4729   5.3341   5.5212  683.692  164.270  613.326  222.659 70.36658 276.6978 
1 1 1   16   16   18 o  691.177  126.110   7.8470   2.6288   6.5118   2.9672   12.718   5.6677  624.142  153.009  862.144  211.535 -238.0020 261.0721 
1 1 1   16   16   20 o  942.131  110.200   14.297   3.1895   13.974   3.6774   15.279   6.4079  926.141  130.421  941.197  221.175 -15.05615 256.7649 
1 1 1   16   16   22 o  260.881  115.567  -0.5917   1.8714  -1.2534   2.0128   3.6299   5.0841  252.370  115.081  547.510  210.581 -295.1405 239.9755 
1 1 1   16   16   24 o  909.457  132.698   13.543   3.6676   13.543   3.6676   0.0000   0.0000  909.457  132.698  ?   ?  0.000000 132.6978 
1 1 1   16   16   26 o  592.276  165.915   5.9148   3.1998   5.9148   3.1998   0.0000   0.0000  592.276  165.915  ?   ?  0.000000 165.9147 
1 1 1   16   16   28 o  572.497  164.877   5.5517   3.1162   6.2878   3.5352   2.9869   6.5987  607.231  175.826  567.359  232.599 39.87195 291.5767 
1 1 1   16   16   30 o  810.726  154.020   11.236   3.7670   11.946   4.3797   9.2158   7.3841  827.688  174.490  722.325  258.101 105.3630 311.5486 
1 1 1   16   16   32 o  404.055  193.014  -6.7501   6.8542   0.0000   0.0000  -6.7501   6.8542  ?   ?   404.055  193.014 0.000000 193.0144 
1 1 1   16   16   34 o  717.094  238.800   10.491   6.2775   9.2295   9.1978   11.591   8.5890  684.456  276.846  733.884  275.681 -49.42822 390.6965 
1 1 1   16   16   36 o  535.950  157.540   5.2959   2.8192   4.3195   2.9751   13.882   8.8229  489.828  164.408  753.518  280.123 -263.6900 324.8060 
1 1 1   16   16   38 o  415.721  155.963   2.8332   2.7473   2.5103   2.8754   6.2157   9.3055  406.031  157.751  578.333  256.874 -172.3021 301.4458 
1 1 1   16   16   40 f  314.119  134.604   0.6027   2.3653   0.6027   2.3653   0.0000   0.0000  314.119  134.604  ?   ?  0.000000 134.6044 
1 1 1   16   16   42 o  259.773  118.369  -0.6367   2.1244  -1.3547   2.1703   15.822   10.390  244.876  114.395  633.013  276.628 -388.1379 299.3475 
1 1 1   16   17    1 o  1000.44  137.072   16.225   4.1810   16.912   5.9045   15.534   5.9213  1006.09  194.461  960.976  203.137 45.12000 281.2112 
1 1 1   16   17    3 o  1083.81  129.793   18.927   4.3171   22.190   6.1969   15.850   6.0178  1162.28  175.761  970.969  204.397 191.3122 269.5737 
1 1 1   16   17    5 o  640.306  131.546   6.7491   2.5492   7.5874   2.9778   4.4494   4.9322  677.401  144.779  573.966  210.131 103.4352 255.1788 
1 1 1   16   17    7 o  626.625  132.314   6.4713   2.5147   4.6898   2.8670   12.413   5.2360  537.079  159.144  859.222  198.596 -322.1429 254.4936 
1 1 1   16   17    9 o  458.897  152.108   3.2109   2.5481   1.6916   2.9588   7.5716   5.0128  409.828  159.801  681.792  212.176 -271.9633 265.6218 
1 1 1   16   17   11 o  1389.44   96.941   30.627   4.1912   29.258   4.9854   33.928   7.7395  1353.37  118.847  1442.55  174.920 -89.18054 211.4747 
1 1 1   16   17   13 o  855.384  115.128   11.799   3.0053   12.177   3.4434   10.592   6.1569  865.611  131.149  793.607  232.683 72.00464 267.0987 
1 1 1   16   17   15 o  823.211  116.316   10.958   2.9148   11.527   3.3212   9.0496   6.0806  841.521  130.249  741.181  234.146 100.3408 267.9351 
1 1 1   16   17   17 o  854.789  114.346   11.797   2.9838   10.575   3.4143   15.750   6.1388  802.182  141.079  963.407  209.470 -161.2258 252.5486 
1 1 1   16   17   19 f  708.335  147.026   8.3326   3.1542   8.0596   3.6327   9.1690   6.3585  692.789  168.972  744.818  239.880 -52.02917 293.4176 
1 1 1   16   17   21 o  729.436  137.166   8.7838   3.0179   5.7971   3.4912   17.615   6.0031  592.161  175.650  1022.16  194.670 -430.0039 262.2008 
1 1 1   16   17   23 o  1474.49  120.984   34.917   5.5366   36.957   6.9979   31.503   9.0529  1507.21  150.282  1361.62  219.820 145.5905 266.2811 
1 1 1   16   17   25 o  472.302  154.397   3.5136   2.6287   4.6364   2.9045  -1.5706   6.1807  530.940  160.834  469.043  208.786 61.89697 263.5513 
1 1 1   16   17   27 o  800.307  168.255   10.904   4.0826   10.904   4.0826   0.0000   0.0000  800.307  168.255  ?   ?  0.000000 168.2553 
1 1 1   16   17   29 o  429.849  155.956   2.6486   2.7081   2.4198   2.9383   3.9392   6.9785  428.300  161.176  590.592  240.323 -162.2918 289.3658 
1 1 1   16   17   31 o  461.629  159.593   3.4059   2.8068   4.0780   3.0364  -0.5403   7.3579  495.682  166.094  505.660  226.243 -9.977570 280.6654 
1 1 1   16   17   33 o  840.027  143.170   12.230   3.6308   12.602   4.0102   10.537   8.5512  844.899  157.373  722.828  274.267 122.0709 316.2099 
1 1 1   16   17   35 o  881.888  258.106   17.049   7.5818   21.041   10.842   13.228   10.607  905.442  313.622  746.837  298.969 158.6050 433.2909 
1 1 1   16   17   37 o  869.098  261.141   17.753   7.6799   21.000   10.642   14.225   11.094  863.515  309.713  724.968  299.864 138.5468 431.0924 
1 1 1   16   17   39 o  316.635  138.552   0.1790   2.6142   0.1790   2.6142   0.0000   0.0000  316.635  138.552  ?   ?  0.000000 138.5519 
1 1 1   16   17   41 o  470.370  166.025   4.3640   3.0464   4.3640   3.0464   0.0000   0.0000  470.370  166.025  ?   ?  0.000000 166.0248 
1 1 1   16   18    0 o  699.378  174.843   8.1394   3.8186   5.3114   5.3689   11.035   5.4324  613.921  220.004  810.797  211.691 -196.8762 305.3111 
1 1 1   16   18    2 o  679.888  177.146   7.6822   3.8092   3.4395   5.3327   12.102   5.4430  557.597  215.332  849.044  206.678 -291.4470 298.4692 
1 1 1   16   18    4 o  472.707  175.206   2.8223   3.4464   1.8654   4.6343   4.0064   5.1552  488.626  196.906  568.409  213.568 -79.78284 290.4879 
1 1 1   16   18    6 o  983.610  146.709   15.718   4.3803   17.446   6.0152   13.767   6.3913  1025.08  194.519  902.859  226.468 122.2183 298.5387 
1 1 1   16   18    8 o  624.524  183.626   6.3837   3.8296   2.7791   5.2713   10.413   5.5730  537.121  212.130  788.484  218.285 -251.3625 304.3800 
1 1 1   16   18   10 o  300.245  128.057  -0.0131   2.1227   1.6672   2.3783  -6.5932   4.7065  381.508  144.670  329.559  158.098 51.94864 214.2999 
1 1 1   16   18   12 o  821.766  144.157   11.061   3.5741   14.835   4.3406   3.1126   6.2986  953.269  150.406  578.858  230.843 374.4107 275.5183 
1 1 1   16   18   14 o  506.346  147.995   4.1729   2.4942   5.1872   2.7720  -0.1392   5.7156  560.618  153.441  483.805  208.319 76.81351 258.7295 
1 1 1   16   18   16 o  954.867  129.259   14.755   3.7654   15.248   4.5853   13.735   6.5984  963.811  157.367  896.880  232.889 66.93103 281.0728 
1 1 1   16   18   18 o  1077.57  126.712   18.718   4.1938   20.594   5.1840   15.165   7.1345  1124.52  151.042  939.130  241.317 185.3925 284.6885 
1 1 1   16   18   20 o  608.669  169.673   6.1595   3.3550   6.1595   3.3550   0.0000   0.0000  608.669  169.673  ?   ?  0.000000 169.6729 
1 1 1   16   18   22 o  946.321  123.122   14.500   3.5619   13.414   4.0449   18.248   7.5164  902.978  148.202  1026.67  238.383 -123.6927 280.6965 
1 1 1   16   18   24 o  409.293  153.329   2.0884   2.6534   2.0884   2.6534   0.0000   0.0000  409.293  153.329  ?   ?  0.000000 153.3295 
1 1 1   16   18   26 o  736.873  136.285   9.0334   3.0287   7.9954   3.3209   14.166   7.3842  686.830  157.741  887.541  253.250 -200.7107 298.3581 
1 1 1   16   18   28 o  895.212  132.050   13.296   3.5904   15.735   3.9814   2.6756   8.3073  974.490  134.027  601.065  254.738 373.4250 287.8454 
1 1 1   16   18   30 o  367.303  141.963   1.5912   2.3194   1.9450   2.4348  -1.8777   7.6231  387.332  146.497  497.324  225.689 -109.9923 269.0666 
1 1 1   16   18   32 o  1226.65  129.348   25.235   4.8933   26.741   5.5540   20.010   10.344  1253.32  144.148  949.598  305.976 303.7217 338.2307 
1 1 1   16   18   34 o  578.020  176.202   6.1088   3.4780   6.1088   3.4780   0.0000   0.0000  578.020  176.202  ?   ?  0.000000 176.2015 
1 1 1   16   18   36 f  463.295  224.028  -7.7542   9.9124  -7.7542   9.9124   0.0000   0.0000  463.295  224.028  ?   ?  0.000000 224.0280 
1 1 1   16   18   38 o  378.274  190.382 -21.2489   10.267 -21.2489   10.267   0.0000   0.0000  378.274  190.382  ?   ?  0.000000 190.3822 
1 1 1   16   18   40 o  454.737  214.336  -0.9880   7.9180   5.9115   11.043  -8.2884   11.359  566.125  262.272  454.591  224.019 111.5330 344.9221 
1 1 1   16   19    1 o  325.369  148.126  -2.0317   3.3174  -7.8228   4.4605   5.1358   4.9624  302.442  147.198  599.689  211.871 -297.2470 257.9858 
1 1 1   16   19    3 o  927.680  161.283   14.086   4.5149   14.789   6.4080   13.394   6.3622  938.349  221.629  892.592  227.086 45.75702 317.3124 
1 1 1   16   19    5 f  533.887  187.675   4.0665   3.8893   6.4562   5.3186   1.3201   5.7019  650.771  219.814  517.703  214.624 133.0674 307.2161 
1 1 1   16   19    7 o  574.435  216.231   4.0534   5.2893   0.0000   0.0000   4.0534   5.2893  ?   ?   574.435  216.231 0.000000 216.2309 
1 1 1   16   19    9 o  ?   ?  -16.0491   4.2250   0.0000   0.0000 -16.0491   4.2250  ?   ?   ?   ?  0.000000      ? 
1 1 1   16   19   11 o  568.206  223.247   3.2664   5.8102   0.0000   0.0000   3.2664   5.8102  ?   ?   568.206  223.247 0.000000 223.2475 
1 1 1   16   19   13 o  678.853  152.807   7.6346   3.1698   8.9679   3.7871   4.5152   5.7927  734.257  168.315  600.829  226.262 133.4279 282.0014 
1 1 1   16   19   15 o  281.239  126.859  -1.2083   2.3663  -0.9552   2.6070  -2.3923   5.6383  304.742  135.628  438.139  196.895 -133.3971 239.0871 
1 1 1   16   19   17 o  999.038  130.733   16.122   3.9915   15.095   4.8408   18.304   7.0548  956.921  167.668  1040.03  223.306 -83.10510 279.2458 
1 1 1   16   19   19 o  693.458  139.483   7.9330   2.9238   8.1837   3.2866   6.9821   6.4014  701.888  153.792  682.902  240.706 18.98688 285.6416 
1 1 1   16   19   21 o  675.260  159.892   7.6227   3.3285   8.0382   3.7534   6.0929   7.2025  691.935  173.542  672.793  252.506 19.14203 306.3919 
1 1 1   16   19   23 o  571.787  157.612   5.4533   2.9127   3.6450   3.1846   14.708   7.2043  493.038  170.020  916.819  245.887 -423.7805 298.9436 
1 1 1   16   19   25 o  500.402  166.244   3.9518   3.0430   3.9518   3.0430   0.0000   0.0000  500.402  166.244  ?   ?  0.000000 166.2436 
1 1 1   16   19   27 o  523.232  159.926   4.5735   2.8625   6.0702   3.0818  -4.8365   7.7272  595.727  161.264  471.180  218.677 124.5468 271.7089 
1 1 1   16   19   29 o  597.024  168.576   6.1954   3.2897   6.1954   3.2897   0.0000   0.0000  597.024  168.576  ?   ?  0.000000 168.5758 
1 1 1   16   19   31 o  984.074  145.025   16.481   4.3348   16.481   4.3348   0.0000   0.0000  984.074  145.025  ?   ?  0.000000 145.0247 
1 1 1   16   19   33 o  278.953  126.169  -0.9972   2.3590  -0.9972   2.3590   0.0000   0.0000  278.953  126.169  ?   ?  0.000000 126.1685 
1 1 1   16   19   35 o  357.671  150.555   0.8071   2.8702   0.8527   2.9835   0.2400   10.513  364.302  153.431  563.561  259.227 -199.2590 301.2301 
1 1 1   16   19   37 o  674.571  171.260   8.5949   3.6239   8.3647   3.8192   10.675   11.480  659.984  179.885  684.548  294.993 -24.56354 345.5132 
1 1 1   16   19   39 o  496.299  241.182  -5.3504   11.855   0.0000   0.0000  -5.3504   11.855  ?   ?   496.299  241.182 0.000000 241.1819 
1 1 1   16   20    0 o  459.682  180.734   1.9939   3.8105  -0.2529   5.1167   4.7915   5.7096  458.645  197.295  609.469  225.587 -150.8242 299.6911 
1 1 1   16   20    2 o  316.065  147.425  -3.3425   3.5826  -0.3844   4.8788  -6.8044   5.2780  444.887  192.011  356.800  170.144 88.08746 256.5489 
1 1 1   16   20    4 o  507.311  211.965   0.9728   5.6238   0.0000   0.0000   0.9728   5.6238  ?   ?   507.311  211.965 0.000000 211.9653 
1 1 1   16   20    6 o  549.925  215.993   2.9814   5.4370   0.0000   0.0000   2.9814   5.4370  ?   ?   549.925  215.993 0.000000 215.9930 
1 1 1   16   20    8 o  1015.15  226.449   17.304   7.0150   0.0000   0.0000   17.304   7.0150  ?   ?   1015.15  226.449 0.000000 226.4488 
1 1 1   16   20   10 o  1081.07  158.850   18.993   5.2168   20.901   7.4066   17.113   7.3492  1119.08  219.210  1006.79  237.047 112.2905 322.8689 
1 1 1   16   20   12 f  490.743  193.726   2.2591   4.3945   9.5252   6.3498  -4.4202   6.0880  764.821  238.930  426.934  196.708 337.8867 309.4860 
1 1 1   16   20   14 o  533.399  199.868   3.5206   4.5091   6.0537   6.5592   1.2510   6.2088  664.163  242.449  534.550  222.978 129.6130 329.3943 
1 1 1   16   20   16 o  522.217  203.048   2.8861   4.7667   6.4656   7.3781   0.3216   6.2449  692.538  256.418  515.648  219.779 176.8895 337.7177 
1 1 1   16   20   18 o  655.252  171.907   7.1489   3.5711   7.1489   3.5711   0.0000   0.0000  655.252  171.907  ?   ?  0.000000 171.9067 
1 1 1   16   20   20 f  1419.56  156.257   32.709   6.8306   32.709   6.8306   0.0000   0.0000  1419.56  156.257  ?   ?  0.000000 156.2574 
1 1 1   16   20   22 o  754.390  161.808   9.5379   3.7076   12.125   4.2581   1.4290   7.5390  851.730  165.623  575.417  243.204 276.3123 294.2436 
1 1 1   16   20   24 o  617.403  172.177   6.4477   3.4540   6.4477   3.4540   0.0000   0.0000  617.403  172.177  ?   ?  0.000000 172.1774 
1 1 1   16   20   26 o  772.747  166.760   10.211   3.9166   10.211   3.9166   0.0000   0.0000  772.747  166.760  ?   ?  0.000000 166.7596 
1 1 1   16   20   28 o  960.458  151.828   15.568   4.4144   15.568   4.4144   0.0000   0.0000  960.458  151.828  ?   ?  0.000000 151.8284 
1 1 1   16   20   30 o  248.299  115.927  -1.9512   2.2237  -1.9631   2.2876  -1.7475   9.4699  252.688  117.843  551.692  250.816 -299.0037 277.1205 
1 1 1   16   20   32 o  1005.01  135.422   17.069   4.1531   15.585   4.4632   26.649   11.340  948.853  155.617  1100.97  313.736 -152.1185 350.2096 
1 1 1   16   20   34 o  643.967  176.661   7.5884   3.6696   9.7339   3.8658 -11.9504   11.666  732.537  171.551  489.315  238.127 243.2227 293.4867 
1 1 1   16   20   36 f  350.004  145.590   0.9354   2.6365   0.7096   2.7087   5.0019   11.494  346.059  145.994  629.110  282.033 -283.0515 317.5799 
1 1 1   16   20   38 o  716.079  266.497   12.196   7.9897   26.890   10.138 -11.8904   12.980  1031.49  297.483  486.815  239.815 544.6757 382.1089 
1 1 1   16   21    1 o  481.896  209.795  -0.8608   5.9263   0.0000   0.0000  -0.8608   5.9263  ?   ?   481.896  209.795 0.000000 209.7953 
1 1 1   16   21    3 f  1023.26  234.167   17.547   7.3406   0.0000   0.0000   17.547   7.3406  ?   ?   1023.26  234.167 0.000000 234.1670 
1 1 1   16   21    5 o  685.534  242.966   6.7244   6.5308   0.0000   0.0000   6.7244   6.5308  ?   ?   685.534  242.966 0.000000 242.9664 
1 1 1   16   21    7 o  1207.73  155.059   23.527   5.7285   12.127   8.1827   34.484   8.0222  862.926  271.500  1459.84  179.264 -596.9177 325.3427 
1 1 1   16   21    9 o  446.899  188.618   0.3996   4.5243  -1.1314   6.6547   1.7154   6.1695  506.301  221.315  545.313  224.390 -39.01233 315.1690 
1 1 1   16   21   11 o  663.343  220.857   6.7809   5.3697   11.650   7.8769   2.5536   7.3394  845.547  266.430  603.407  246.102 242.1402 362.6997 
1 1 1   16   21   13 o  832.961  210.601   11.612   5.4961   7.3199   8.3480   14.897   7.3019  737.615  272.822  939.271  245.522 -201.6559 367.0328 
1 1 1   16   21   15 o  858.651  209.877   12.379   5.5953   8.3598   8.6064   15.321   7.3639  765.919  278.004  950.467  245.651 -184.5477 370.9860 
1 1 1   16   21   17 o  507.963  226.320  -2.2881   7.2805  -2.2881   7.2805   0.0000   0.0000  507.963  226.320  ?   ?  0.000000 226.3201 
1 1 1   16   21   19 o  767.112  281.076   8.5901   8.8275   8.5901   8.8275   0.0000   0.0000  767.112  281.076  ?   ?  0.000000 281.0759 
1 1 1   16   21   21 o  715.578  186.223   8.6747   4.2128   8.6747   4.2128   0.0000   0.0000  715.578  186.223  ?   ?  0.000000 186.2231 
1 1 1   16   21   23 o  710.359  179.341   8.6060   3.9897   8.6060   3.9897   0.0000   0.0000  710.359  179.341  ?   ?  0.000000 179.3412 
1 1 1   16   21   25 o  564.475  163.788   5.3671   3.0648   3.7702   3.2780   16.462   8.6401  496.716  172.426  944.333  275.289 -447.6165 324.8305 
1 1 1   16   21   27 o  574.412  166.216   5.6248   3.1603   6.3354   3.3540  -0.0000   9.4361  607.264  169.777  588.649  260.195 18.61548 310.6857 
1 1 1   16   21   29 o  586.435  173.318   5.9452   3.4039   5.9452   3.4039   0.0000   0.0000  586.435  173.318  ?   ?  0.000000 173.3175 
1 1 1   16   21   31 o  568.176  178.408   5.6041   3.5353   7.5398   3.7226 -12.1987   11.289  651.345  177.622  494.699  239.181 156.6458 297.9214 
1 1 1   16   21   33 o  954.122  151.189   15.713   4.3663   15.713   4.3663   0.0000   0.0000  954.122  151.189  ?   ?  0.000000 151.1886 
1 1 1   16   21   35 o  359.791  147.488   1.1276   2.6528   1.1276   2.6528   0.0000   0.0000  359.791  147.488  ?   ?  0.000000 147.4875 
1 1 1   16   22    0 o  429.803  187.367  -0.8179   4.7409  -3.6661   6.8410   1.8139   6.5760  473.066  214.329  563.741  231.782 -90.67450 315.6899 
1 1 1   16   22    2 o  618.445  214.708   5.5513   5.0828   0.0001   7.4746   10.326   6.9324  559.691  239.544  800.482  249.580 -240.7916 345.9360 
1 1 1   16   22    4 o  293.444  143.527  -8.3693   4.3947   5.1831   7.0961 -16.8012   5.5972  659.352  249.925  282.594  142.014 376.7578 287.4553 
1 1 1   16   22    6 o  669.670  222.000   6.8889   5.4276   2.3287   8.2235   10.409   7.2247  628.968  258.967  805.683  255.300 -176.7151 363.6508 
1 1 1   16   22    8 o  413.455  186.604  -2.5856   5.1283   3.2444   7.8812  -6.8670   6.7538  636.630  256.699  424.706  199.487 211.9233 325.0992 
1 1 1   16   22   10 o  1058.55  191.938   18.441   6.1277   18.281   9.2137   18.568   8.2054  1039.09  277.815  1049.43  252.722 -10.34119 375.5655 
1 1 1   16   22   12 o  864.304  280.929   12.038   8.7073   12.038   8.7073   0.0000   0.0000  864.304  280.929  ?   ?  0.000000 280.9290 
1 1 1   16   22   14 o  1132.94  283.146   22.048   10.017   22.048   10.017   0.0000   0.0000  1132.94  283.146  ?   ?  0.000000 283.1464 
1 1 1   16   22   16 f  749.636  284.414   7.2930   9.1952   7.2930   9.1952   0.0000   0.0000  749.636  284.414  ?   ?  0.000000 284.4136 
1 1 1   16   22   18 o  783.618  226.233   10.376   5.8605   16.390   8.6540   5.2806   7.9649  971.154  273.138  672.817  262.231 298.3367 378.6418 
1 1 1   16   22   20 o  409.277  189.236  -4.1734   5.7076  -3.9961   8.8537  -4.2996   7.4660  534.015  242.679  480.168  219.973 53.84613 327.5383 
1 1 1   16   22   22 o  701.370  268.974   6.7082   8.2796   0.0000   0.0000   6.7082   8.2796  ?   ?   701.370  268.974 0.000000 268.9735 
1 1 1   16   22   24 o  672.090  172.218   7.7078   3.6408   10.923   4.0184  -7.0287   8.6026  803.338  165.263  481.412  225.808 321.9258 279.8232 
1 1 1   16   22   26 o  430.194  162.837   2.3344   3.0097   2.2922   3.1769   2.7043   9.4004  434.961  166.659  634.817  270.087 -199.8558 317.3674 
1 1 1   16   22   28 o  423.043  165.897   1.9868   3.2027   2.1047   3.3817   0.9597   9.9786  434.171  170.402  613.822  269.591 -179.6509 318.9296 
1 1 1   16   22   30 o  289.637  130.399  -1.0289   2.4863  -1.0289   2.4863   0.0000   0.0000  289.637  130.399  ?   ?  0.000000 130.3986 
1 1 1   16   22   32 o  508.971  174.496   4.2600   3.3521   4.2600   3.3521   0.0000   0.0000  508.971  174.496  ?   ?  0.000000 174.4960 
1 1 1   16   22   34 o  324.286  142.474  -0.3110   2.7890  -0.3110   2.7890   0.0000   0.0000  324.286  142.474  ?   ?  0.000000 142.4741 
1 1 1   16   23    1 o  512.805  217.148   0.3902   6.0283   11.643   9.7177  -6.6489   7.6859  872.878  297.112  467.380  217.309 405.4986 368.1021 
1 1 1   16   23    3 o  1127.15  212.988   20.947   7.2417   19.115   12.182   21.948   9.0056  1073.49  330.220  1144.70  257.486 -71.20337 418.7413 
1 1 1   16   23    5 o  1057.59  313.414   18.708   11.119   18.708   11.119   0.0000   0.0000  1057.59  313.414  ?   ?  0.000000 313.4135 
1 1 1   16   23    7 o  736.078  290.688   5.3873   9.8980   5.3873   9.8980   0.0000   0.0000  736.078  290.688  ?   ?  0.000000 290.6882 
1 1 1   16   23    9 o  795.808  301.136   7.9695   10.291   7.9695   10.291   0.0000   0.0000  795.808  301.136  ?   ?  0.000000 301.1364 
1 1 1   16   23   11 o  643.460  273.231   0.9525   9.5866   0.9525   9.5866   0.0000   0.0000  643.460  273.231  ?   ?  0.000000 273.2314 
1 1 1   16   23   13 o  719.646  262.123   7.2387   7.6609   0.0000   0.0000   7.2387   7.6609  ?   ?   719.646  262.123 0.000000 262.1233 
1 1 1   16   23   15 o  703.482  241.447   7.6058   6.4187   6.1040   9.6402   8.8018   8.6030  733.729  287.793  772.973  278.335 -39.24420 400.3688 
1 1 1   16   23   17 o  511.669  213.289   1.2702   5.6755   1.8568   8.4626   0.7906   7.6513  616.975  259.050  571.800  243.481 45.17529 355.5135 
1 1 1   16   23   19 o  755.312  239.518   9.5229   6.3582   15.061   9.8215   5.5276   8.3422  931.295  297.939  683.497  267.823 247.7973 400.6203 
1 1 1   16   23   21 o  692.536  242.928   7.5109   6.5148   14.058   9.9272   2.5584   8.6341  899.763  300.327  627.301  262.416 272.4623 398.8210 
1 1 1   16   23   23 o  435.119  202.797  -5.3234   6.7583  -1.6497   9.5913  -8.9461   9.5244  583.147  259.795  494.389  233.646 88.75806 349.4056 
1 1 1   16   23   25 o  916.995  259.384   15.245   7.7812   9.8365   10.702   21.310   11.333  796.431  305.716  1056.37  317.192 -259.9430 440.5371 
1 1 1   16   23   27 o  408.048  164.035   1.4964   3.2077   1.5823   3.3435   0.5031   11.368  416.844  167.507  646.810  285.764 -229.9667 331.2397 
1 1 1   16   23   29 o  495.692  176.145   3.7405   3.4347   6.3445   3.6036 -22.0949   11.351  606.471  178.072  440.739  218.415 165.7323 281.8056 
1 1 1   16   23   31 o  377.600  157.249   0.8489   3.0807   0.8489   3.0807   0.0000   0.0000  377.600  157.249  ?   ?  0.000000 157.2495 
1 1 1   16   24    0 o  1313.06  337.392   29.434   13.947   29.434   13.947   0.0000   0.0000  1313.06  337.392  ?   ?  0.000000 337.3925 
1 1 1   16   24    2 o  1095.02  330.517   20.018   12.282   20.018   12.282   0.0000   0.0000  1095.02  330.517  ?   ?  0.000000 330.5170 
1 1 1   16   24    4 o  641.773  280.508  -1.5909   10.688  -1.5909   10.688   0.0000   0.0000  641.773  280.508  ?   ?  0.000000 280.5081 
1 1 1   16   24    6 o  579.173  263.860  -5.9574   10.550  -5.9574   10.550   0.0000   0.0000  579.173  263.860  ?   ?  0.000000 263.8602 
1 1 1   16   24    8 o  920.476  234.688   14.219   6.7849   0.1631   10.992   22.870   8.6238  673.689  289.470  1167.79  243.716 -494.1036 378.4052 
1 1 1   16   24   10 o  633.212  240.161   4.8487   6.5550   8.9414   10.126   1.8961   8.6003  809.609  300.266  629.273  262.456 180.3363 398.8018 
1 1 1   16   24   12 o  422.796  200.690  -8.3830   7.1756   0.0000   0.0000  -8.3830   7.1756  ?   ?   422.796  200.690 0.000000 200.6901 
1 1 1   16   24   14 o  880.479  230.977   13.155   6.4473   10.310   9.6314   15.465   8.6786  825.399  294.788  950.615  275.553 -125.2150 403.5209 
1 1 1   16   24   16 o  654.004  238.017   6.0395   6.3147   15.289   9.4398  -1.4517   8.4954  943.584  290.754  562.760  247.912 380.8239 382.0972 
1 1 1   16   24   18 o  419.525  201.234 -10.0986   7.6205   0.0000   0.0000 -10.0986   7.6205  ?   ?   419.525  201.234 0.000000 201.2343 
1 1 1   16   24   20 o  641.651  246.854   5.1670   6.9877  -6.1086   10.433   14.339   9.4100  559.162  257.586  908.757  291.726 -349.5945 389.1718 
1 1 1   16   24   22 o  940.638  249.304   15.605   7.4612   5.1458   11.081   24.281   10.092  730.018  300.594  1161.52  280.624 -431.5007 411.2254 
1 1 1   16   24   24 o  465.541  225.191 -13.9734   10.036   0.0000   0.0000 -13.9734   10.036  ?   ?   465.541  225.191 0.000000 225.1914 
1 1 1   16   24   26 o  1014.08  341.836   19.787   12.862   0.0000   0.0000   19.787   12.862  ?   ?   1014.08  341.836 0.000000 341.8357 
1 1 1   16   24   28 o  789.745  280.828   10.904   8.7317   1.4704   11.749   22.544   13.050  667.183  292.790  1056.67  343.951 -389.4864 451.6947 
1 1 1   16   24   30 o  604.421  181.185   6.3049   3.7002   7.5849   3.8485  -9.3502   13.459  658.758  180.999  582.661  276.072 76.09692 330.1161 
1 1 1   16   25    1 o  459.142  206.448  -2.8341   6.2089   2.9743   10.243  -6.2073   7.8063  700.520  288.799  477.122  220.854 223.3980 363.5669 
1 1 1   16   25    3 o  895.056  238.794   13.382   6.8164   21.154   10.764   8.1791   8.8074  1115.91  301.090  771.294  281.036 344.6184 411.8700 
1 1 1   16   25    5 o  1021.41  237.654   17.511   7.4579   31.155   11.840   8.5369   9.6025  1355.12  287.907  793.896  292.810 561.2199 410.6436 
1 1 1   16   25    7 o  940.829  236.250   14.889   6.9500   26.076   11.336   8.1524   8.7972  1233.44  297.057  767.884  280.708 465.5596 408.7055 
1 1 1   16   25    9 o  547.407  240.058  -1.3965   7.8858   0.0000   0.0000  -1.3965   7.8858  ?   ?   547.407  240.058 0.000000 240.0577 
1 1 1   16   25   11 o  770.175  294.971   7.3809   9.9493   7.3809   9.9493   0.0000   0.0000  770.175  294.971  ?   ?  0.000000 294.9714 
1 1 1   16   25   13 o  810.613  249.227   10.904   6.9402   9.4954   11.060   11.819   8.9133  831.890  312.772  854.399  284.551 -22.50916 422.8430 
1 1 1   16   25   15 o  849.659  245.371   12.231   6.8931   9.3386   10.277   14.596   9.2935  812.095  302.244  927.058  288.963 -114.9626 418.1515 
1 1 1   16   25   17 o  757.188  284.298   7.9107   9.1322   0.0000   0.0000   7.9107   9.1322  ?   ?   757.188  284.298 0.000000 284.2980 
1 1 1   16   25   19 o  450.900  210.234  -6.0434   7.2744  -1.5415   10.700  -9.9125   9.9195  626.607  277.017  504.408  238.400 122.1992 365.4768 
1 1 1   16   25   21 o  616.540  251.009   3.3468   7.6178   18.639   11.117 -10.1885   10.459  1018.50  315.814  517.247  244.570 501.2535 399.4404 
1 1 1   16   25   23 o  845.019  318.634   11.030   11.496   0.0000   0.0000   11.030   11.496  ?   ?   845.019  318.634 0.000000 318.6344 
1 1 1   16   25   25 o  528.020  250.615 -10.7960   11.185   0.0000   0.0000 -10.7960   11.185  ?   ?   528.020  250.615 0.000000 250.6155 
1 1 1   16   25   27 o  460.867  219.829  -9.5723   8.8228 -32.0478   11.999   16.884   13.018  414.837  208.403  952.621  342.453 -537.7834 400.8813 
1 1 1   16   26    0 o  1123.77  215.619   20.912   7.3112   23.581   11.398   19.046   9.5300  1175.59  306.497  1061.05  282.009 114.5374 416.4967 
1 1 1   16   26    2 o  620.755  239.642   4.2379   6.6031   3.4912   10.671   4.7012   8.4056  719.453  295.466  682.146  268.358 37.30627 399.1446 
1 1 1   16   26    4 o  443.086  218.915 -23.9783   11.094 -23.9783   11.094   0.0000   0.0000  443.086  218.915  ?   ?  0.000000 218.9148 
1 1 1   16   26    6 o  739.445  306.257   3.3869   11.594   3.3869   11.594   0.0000   0.0000  739.445  306.257  ?   ?  0.000000 306.2565 
1 1 1   16   26    8 o  403.897  197.178 -14.7064   8.1795   0.0000   0.0000 -14.7064   8.1795  ?   ?   403.897  197.178 0.000000 197.1775 
1 1 1   16   26   10 o  1217.30  219.313   24.662   8.0520   18.534   12.782   28.694   10.368  1049.76  340.324  1300.76  263.573 -250.9972 430.4550 
1 1 1   16   26   12 o  465.866  212.565  -4.0510   6.8802   4.8608   11.438  -9.1031   8.6123  755.028  307.507  471.387  222.594 283.6413 379.6161 
1 1 1   16   26   14 f  753.574  293.884   6.6520   10.008   0.0000   0.0000   6.6520   10.008  ?   ?   753.574  293.884 0.000000 293.8839 
1 1 1   16   26   16 o  745.257  264.137   8.3610   7.7186   2.3465   12.183   12.394   9.9760  727.416  308.402  876.628  300.999 -149.2122 430.9430 
1 1 1   16   26   18 o  408.625  195.891  -9.5753   7.1978 -14.2507   10.378  -5.2426   9.9910  482.411  232.269  559.755  255.695 -77.34424 345.4400 
1 1 1   16   26   20 o  1531.97  200.527   38.966   9.3883   42.931   12.692   34.175   13.951  1577.11  266.517  1371.94  328.994 205.1722 423.4016 
1 1 1   16   26   22 o  806.880  319.113   8.2980   11.945   0.0000   0.0000   8.2980   11.945  ?   ?   806.880  319.113 0.000000 319.1127 
1 1 1   16   26   24 o  651.342  295.604  -4.0694   13.081   0.0000   0.0000  -4.0694   13.081  ?   ?   651.342  295.604 0.000000 295.6039 
1 1 1   16   27    1 o  488.059  236.389 -17.6008   11.145 -17.6008   11.145   0.0000   0.0000  488.059  236.389  ?   ?  0.000000 236.3892 
1 1 1   16   27    3 o  847.292  259.497   11.761   7.5323   10.902   12.366   12.267   9.4977  892.963  331.694  881.031  293.746 11.93182 443.0668 
1 1 1   16   27    5 o  443.255  207.816  -7.1041   7.2723   8.3984   11.621 -17.0835   9.3237  829.844  318.559  428.671  209.539 401.1723 381.2953 
1 1 1   16   27    7 o  446.249  215.890 -14.3965   9.2319   0.0000   0.0000 -14.3965   9.2319  ?   ?   446.249  215.890 0.000000 215.8897 
1 1 1   16   27    9 o  549.199  238.210  -0.6582   7.5841 -17.4537   13.524   7.0464   9.1599  561.294  268.931  748.837  283.927 -187.5425 391.0733 
1 1 1   16   27   11 f  378.845  184.673 -12.5214   7.1000 -11.1298   11.670 -13.3392   8.9462  556.954  261.805  443.821  214.166 113.1334 338.2434 
1 1 1   16   27   15 o  1233.27  241.492   25.724   8.9919   6.9349   14.203   38.294   11.617  844.766  343.196  1505.78  255.510 -661.0099 427.8658 
1 1 1   16   27   17 o  595.745  271.480  -5.5468   11.178   0.0000   0.0000  -5.5468   11.178  ?   ?   595.745  271.480 0.000000 271.4805 
1 1 1   16   27   19 o  401.590  201.690 -31.6617   11.194   0.0000   0.0000 -31.6617   11.194  ?   ?   401.590  201.690 0.000000 201.6900 
1 1 1   16   27   21 o  580.399  275.254 -13.4052   13.440   0.0000   0.0000 -13.4052   13.440  ?   ?   580.399  275.254 0.000000 275.2537 
1 1 1   16   28    0 f  546.612  243.886  -3.0123   8.4868   12.709   15.082 -10.2974   10.267  971.798  365.259  522.016  245.437 449.7822 440.0609 
1 1 1   16   28    2 o  1099.85  272.766   20.461   9.3479   13.182   16.481   23.913   11.350  1000.19  380.462  1183.93  304.455 -183.7389 487.2827 
1 1 1   16   28    4 o  686.906  268.390   4.9742   8.3594  -3.9117   16.159   8.2212   9.7679  761.045  338.241  790.701  294.586 -29.65564 448.5401 
1 1 1   16   28    6 o  1308.57  278.309   28.990   11.053   0.0000   0.0000   28.990   11.053  ?   ?   1308.57  278.309 0.000000 278.3091 
1 1 1   16   28    8 o  828.032  277.692   10.743   8.4876   10.634   14.715   10.797   10.390  925.572  357.627  857.114  306.170 68.45801 470.7838 
1 1 1   16   28   10 o  1211.97  250.513   24.737   9.1927   16.532   16.115   28.694   11.192  1044.77  380.228  1297.32  283.451 -252.5454 474.2551 
1 1 1   16   28   12 o  790.173  305.681   7.4342   10.761   0.0000   0.0000   7.4342   10.761  ?   ?   790.173  305.681 0.000000 305.6807 
1 1 1   16   28   14 f  595.766  271.523  -5.8867   11.185   0.0000   0.0000  -5.8867   11.185  ?   ?   595.766  271.523 0.000000 271.5227 
1 1 1   16   28   16 o  543.412  257.818 -12.9001   11.814   0.0000   0.0000 -12.9001   11.814  ?   ?   543.412  257.818 0.000000 257.8175 
1 1 1   16   28   18 f  906.120  341.762   11.744   13.227   0.0000   0.0000   11.744   13.227  ?   ?   906.120  341.762 0.000000 341.7621 
1 1 1   16   29    1 o  751.526  279.512   7.3160   8.7865   5.4969   16.481   8.0383   10.385  886.943  366.065  801.315  302.684 85.62720 474.9958 
1 1 1   16   29    3 o  562.158  257.131  -6.2779   10.146   0.0000   0.0000  -6.2779   10.146  ?   ?   562.158  257.131 0.000000 257.1313 
1 1 1   16   29    5 o  691.661  288.658   2.2242   10.413   0.0000   0.0000   2.2242   10.413  ?   ?   691.661  288.658 0.000000 288.6581 
1 1 1   16   29    7 o  952.263  316.979   14.478   11.061   0.0000   0.0000   14.478   11.061  ?   ?   952.263  316.979 0.000000 316.9792 
1 1 1   16   29    9 o  1291.69  305.510   28.587   12.163   0.0000   0.0000   28.587   12.163  ?   ?   1291.69  305.510 0.000000 305.5100 
1 1 1   16   29   11 o  905.269  327.204   11.998   11.904   0.0000   0.0000   11.998   11.904  ?   ?   905.269  327.204 0.000000 327.2044 
1 1 1   16   29   13 o  798.268  293.029   8.8774   9.6006   18.011   14.642   1.9895   12.715  1055.30  364.526  744.318  315.289 310.9818 481.9606 
1 1 1   16   30    0 o  663.108  283.604   0.2504   10.464   0.0000   0.0000   0.2504   10.464  ?   ?   663.108  283.604 0.000000 283.6040 
1 1 1   16   30    2 f  486.047  235.272 -17.3891   11.000   0.0000   0.0000 -17.3891   11.000  ?   ?   486.047  235.272 0.000000 235.2721 
1 1 1   16   30    4 o  1034.35  327.727   17.559   11.906   0.0000   0.0000   17.559   11.906  ?   ?   1034.35  327.727 0.000000 327.7274 
1 1 1   16   30    6 o  988.799  295.664   16.256   9.8624   20.700   17.067   14.028   12.084  1139.65  393.557  956.170  331.112 183.4765 514.3174 
1 1 1   16   30    8 o  1142.96  292.831   22.198   10.527   5.1424   16.342   34.296   13.764  877.356  363.504  1416.07  318.164 -538.7141 483.0775 
1 1 1   17    0    1 o  453.415  142.801   4.0677   1.7812   4.0677   1.7812   4.0677   1.7812  453.415  142.801  453.415  142.801 -0.000000 0.000000 
1 1 1   17    0    3 o  6655.54  230.810  712.656   47.970  712.656   47.970  712.656   47.970  6655.54  230.810  6655.54  230.810 -0.000000 0.000000 
1 1 1   17    0    5 o  131.075   87.883  -0.3904   1.0100  -0.3904   1.0100  -0.3904   1.0100  131.075   87.883  131.075   87.883 -0.000000 0.000000 
1 1 1   17    0    7 o  339.513  175.758   2.6837   2.4098   2.6837   2.4098   2.6837   2.4098  339.513  175.758  339.513  175.758 -0.000000 0.000000 
1 1 1   17    0    9 o  1112.84  100.163   19.982   3.4253   19.982   3.4253   19.982   3.4253  1112.84  100.163  1112.84  100.163 -0.000000 0.000000 
1 1 1   17    0   11 o  1316.44  101.111   27.813   4.1113   27.813   4.1113   27.813   4.1113  1316.44  101.111  1316.44  101.111 -0.000000 0.000000 
1 1 1   17    0   13 o  3053.30  130.532  148.743   12.428  148.743   12.428  148.743   12.428  3053.30  130.532  3053.30  130.532 -0.000000 0.000000 
1 1 1   17    0   15 o   84.731   61.688  -2.1189   0.9457  -2.1189   0.9457  -2.1189   0.9457   84.731   61.688   84.731   61.688 -0.000000 0.000000 
1 1 1   17    0   17 f  478.951  147.879   4.5358   1.9408   4.5358   1.9408   4.5358   1.9408  478.951  147.879  478.951  147.879 -0.000000 0.000000 
1 1 1   17    0   19 o  787.642  113.178   10.403   2.6240   10.403   2.6240   10.403   2.6240  787.642  113.178  787.642  113.178 -0.000000 0.000000 
1 1 1   17    0   21 o  2167.04  113.144   75.125   7.6296   75.125   7.6296   75.125   7.6296  2167.04  113.144  2167.04  113.144 -0.000000 0.000000 
1 1 1   17    0   23 o  867.534  178.544   13.498   4.2840   13.498   4.2840   13.498   4.2840  867.534  178.544  867.534  178.544 -0.000000 0.000000 
1 1 1   17    0   25 o  863.633  180.223   13.392   4.2958   13.392   4.2958   13.392   4.2958  863.633  180.223  863.633  180.223 -0.000000 0.000000 
1 1 1   17    0   27 o  224.352  136.051   0.7643   1.7715   0.7643   1.7715   0.7643   1.7715  224.352  136.051  224.352  136.051 -0.000000 0.000000 
1 1 1   17    0   29 o  572.804  160.746   6.2956   2.4955   6.2956   2.4955   6.2956   2.4955  572.804  160.746  572.804  160.746 -0.000000 0.000000 
1 1 1   17    0   31 o  748.814  206.759   10.807   4.1927   10.807   4.1927   10.807   4.1927  748.814  206.759  748.814  206.759 -0.000000 0.000000 
1 1 1   17    0   33 o  323.007  189.084   2.0505   3.2016   2.0505   3.2016   2.0505   3.2016  323.007  189.084  323.007  189.084 -0.000000 0.000000 
1 1 1   17    0   35 o  762.175  209.818   11.200   4.3302   11.200   4.3302   11.200   4.3302  762.175  209.818  762.175  209.818 -0.000000 0.000000 
1 1 1   17    0   37 o  917.130  226.530   15.825   5.6316   15.825   5.6316   15.825   5.6316  917.130  226.530  917.130  226.530 -0.000000 0.000000 
1 1 1   17    0   39 o  506.265  238.220   6.1999   4.2505   6.1999   4.2505   6.1999   4.2505  506.265  238.220  506.265  238.220 -0.000000 0.000000 
1 1 1   17    0   41 o  1220.08  122.626   24.494   4.5762   24.494   4.5762   24.494   4.5762  1220.08  122.626  1220.08  122.626 -0.000000 0.000000 
1 1 1   17    0   43 o  995.023  150.590   17.076   4.3739   17.076   4.3739   17.076   4.3739  995.023  150.590  995.023  150.590 -0.000000 0.000000 
1 1 1   17    0   45 o  389.093  238.205   2.9351   5.5471   2.9351   5.5471   2.9351   5.5471  389.093  238.205  389.093  238.205 -0.000000 0.000000 
1 1 1   17    0   47 o  1348.52  135.564   30.454   5.5916   30.454   5.5916   30.454   5.5916  1348.52  135.564  1348.52  135.564 -0.000000 0.000000 
1 1 1   17    0   49 o  506.964  234.113   6.5287   4.0933   6.5287   4.0933   6.5287   4.0933  506.964  234.113  506.964  234.113 -0.000000 0.000000 
1 1 1   17    1    0 o  1363.60   69.676   29.302   2.9651   27.948   4.1837   30.668   4.2028  1326.75  101.476  1390.95   97.106 -64.20447 140.4524 
1 1 1   17    1    2 o  1683.43   71.845   44.569   3.7871   47.978   5.3797   41.221   5.3323  1740.32   99.131  1611.26  106.286 129.0615 145.3397 
1 1 1   17    1    4 o  1196.07   69.451   22.579   2.5899   21.865   3.6522   23.301   3.6732  1171.76  100.513  1210.43   97.748 -38.67480 140.2051 
1 1 1   17    1    6 o  2563.16   95.814  103.938   7.6899   95.526   9.4073  120.877   13.350  2446.04  123.220  2736.49  156.451 -290.4534 199.1485 
1 1 1   17    1    8 o  380.811  103.999   2.3775   1.2751   2.6489   2.1298   2.2258   1.5919  416.588  139.107  376.603  119.893 39.98489 183.6439 
1 1 1   17    1   10 o  1028.81   69.453   16.771   2.2243   16.508   3.1377   17.037   3.1536  1014.17  100.114  1030.74   98.925 -16.57306 140.7439 
1 1 1   17    1   12 o  1777.71   73.271   49.954   4.0786   53.155   5.7921   46.806   5.7442  1823.00  101.876  1708.08  107.955 114.9172 148.4349 
1 1 1   17    1   14 o  1190.14   81.114   22.561   3.0048   24.476   3.6851   18.762   5.1904  1235.73   95.991  1057.72  161.865 178.0054 188.1880 
1 1 1   17    1   16 f  971.018   70.956   14.998   2.1425   16.712   3.0505   13.330   3.0097  1018.66   96.801  905.440  108.306 113.2217 145.2605 
1 1 1   17    1   18 o  872.209   72.712   12.145   1.9677   11.591   2.7588   12.718   2.8074  842.554  106.982  884.300  103.337 -41.74579 148.7400 
1 1 1   17    1   20 o  823.008   87.251   10.951   2.2142   12.860   3.8311   9.9936   2.7132  870.260  145.746  776.804  115.024 93.45624 185.6680 
1 1 1   17    1   22 o  629.256   82.690   6.4410   1.5898   5.7100   2.2186   7.2128   2.2794  578.665  126.012  655.965  115.177 -77.29980 170.7184 
1 1 1   17    1   24 o  706.905   92.934   8.1821   2.0072   8.1236   2.4520   8.3010   3.4947  695.968  116.645  684.182  165.032 11.78638 202.0930 
1 1 1   17    1   26 o  1025.97   87.640   17.013   2.7885   19.405   4.8012   15.796   3.4254  1067.50  147.585  977.813  114.017 89.68402 186.4967 
1 1 1   17    1   28 o  636.838  103.552   6.7261   1.9940   4.6908   2.4372   10.847   3.4678  520.951  144.398  795.004  144.633 -274.0529 204.3762 
1 1 1   17    1   30 o  1473.40   86.122   35.014   3.9560   37.955   4.8931   29.463   6.7220  1524.73  103.095  1298.31  169.387 226.4219 198.2945 
1 1 1   17    1   32 o  1561.11  159.576   42.457   7.6908   0.0000   0.0000   42.457   7.6908  ?   ?   1561.11  159.576 0.000000 159.5755 
1 1 1   17    1   34 f  1775.99   78.602   50.792   4.3711   50.616   6.1987   50.965   6.1648  1743.23  114.191  1750.25  113.092 -7.018921 160.7155 
1 1 1   17    1   36 o  2156.33   82.755   75.380   5.5876   78.644   7.9336   72.168   7.8709  2162.59  117.602  2065.74  122.228 96.85010 169.6172 
1 1 1   17    1   38 o  1750.77   80.768   50.021   4.4278   46.936   6.2871   53.056   6.2368  1649.63  122.593  1765.95  113.388 -116.3210 166.9904 
1 1 1   17    1   40 o  510.167  139.739   4.9881   2.2981   2.6512   3.3468   7.0728   3.1610  409.645  166.531  589.240  164.852 -179.5945 234.3254 
1 1 1   17    1   42 o  1009.28   99.772   18.174   3.1118   15.295   4.5149   20.779   4.2949  819.834  180.741  1027.94  136.833 -208.1102 226.6945 
1 1 1   17    1   44 o  553.690  150.358   6.9986   2.6741   10.421   3.8693   3.8696   3.6999  622.763  184.960  398.609  169.513 224.1547 250.8883 
1 1 1   17    1   46 o  402.358  188.222   6.8828   5.9090   6.8828   5.9090   0.0000   0.0000  402.358  188.222  ?   ?  0.000000 188.2218 
1 1 1   17    1   48 o  1008.71  143.176   25.255   4.3953   20.769   5.3164   34.944   7.8129  700.083  218.611  722.189  264.457 -22.10535 343.1154 
1 1 1   17    1   50 o  329.653  155.249   5.5834   4.1382   0.0000   0.0000   5.5834   4.1382  ?   ?   329.653  155.249 0.000000 155.2491 
1 1 1   17    2    1 o  1152.89   69.575   20.971   2.4999   22.246   3.5108   19.659   3.5604  1183.65   95.539  1110.81  103.558 72.83752 140.8965 
1 1 1   17    2    3 o  1505.91   70.651   35.672   3.3315   34.157   4.6974   37.205   4.7255  1466.23  102.968  1531.35   99.081 -65.12451 142.8966 
1 1 1   17    2    5 o  370.936  102.193   2.2457   1.2249   1.7314   1.4942   3.2994   2.1389  342.864  116.505  453.187  138.183 -110.3232 180.7425 
1 1 1   17    2    7 o  3308.93   95.563  173.404   9.9014  164.805   13.996  182.020   14.009  3205.19  139.455  3372.29  132.671 -167.0994 192.4818 
1 1 1   17    2    9 o  1969.70   75.570   61.254   4.6608   58.573   6.5877   63.941   6.5951  1914.06  110.385  2001.83  105.588 -87.77722 152.7540 
1 1 1   17    2   11 o  1233.85   69.868   24.108   2.6882   23.872   3.8038   24.342   3.7997  1220.48  100.424  1232.84   99.271 -12.36047 141.2082 
1 1 1   17    2   13 o  2339.30   80.491   86.716   5.8959   84.582   8.3364   88.853   8.3398  2292.59  116.511  2354.20  113.134 -61.61011 162.4012 
1 1 1   17    2   15 o  1471.91   83.124   34.501   3.8154   34.264   4.6778   34.973   6.5949  1460.30  102.961  1456.69  146.575 3.609009 179.1235 
1 1 1   17    2   17 o  761.091   75.430   9.2729   1.7739   6.6295   2.4966   11.968   2.5210  627.762  131.236  860.568   95.148 -232.8066 162.0986 
1 1 1   17    2   19 o  2011.35   88.708   64.661   5.5869   61.263   9.6764   66.359   6.8426  1905.98  163.725  2024.87  108.314 -118.8884 196.3104 
1 1 1   17    2   21 o  1268.50   83.123   25.842   3.2834   26.654   5.7211   25.442   4.0094  1255.19  148.439  1250.13  103.351 5.060791 180.8743 
1 1 1   17    2   23 o  1370.91   83.944   30.235   3.5860   28.849   6.2934   30.902   4.3638  1296.05  158.373  1377.35  101.905 -81.30347 188.3257 
1 1 1   17    2   25 o  1063.56  105.971   18.535   3.4821   0.0000   0.0000   18.535   3.4821  ?   ?   1063.56  105.971 0.000000 105.9707 
1 1 1   17    2   27 o  1443.54  152.700   35.391   6.7974   0.0000   0.0000   35.391   6.7974  ?   ?   1443.54  152.700 0.000000 152.7000 
1 1 1   17    2   29 o  415.495  128.425   2.8743   1.8400   3.2706   3.1447   2.6680   2.2690  462.852  168.039  413.302  143.457 49.55026 220.9453 
1 1 1   17    2   31 f  1574.77   89.309   40.136   4.3857   44.389   7.6420   38.048   5.3554  1606.75  153.773  1518.02  113.488 88.73193 191.1168 
1 1 1   17    2   33 o  2239.07   82.055   80.789   5.7529   89.710   8.1434   71.901   8.1284  2331.52  111.545  2069.70  126.024 261.8186 168.2982 
1 1 1   17    2   35 o  2724.81  127.999  125.417   10.921  138.935   15.562  112.302   15.329  2766.08  180.671  2444.85  202.051 321.2324 271.0477 
1 1 1   17    2   37 o  908.068   92.831   13.661   2.6024   14.734   3.7281   12.641   3.6345  917.954  133.624  843.145  142.759 74.80908 195.5395 
1 1 1   17    2   39 o  473.883  133.546   4.1341   2.0666   5.6832   2.9389   2.6187   2.9066  540.482  161.351  407.630  158.540 132.8524 226.2060 
1 1 1   17    2   41 o  684.572  120.799   8.6796   2.4947   13.789   3.6073   3.9951   3.4539  843.320  141.626  443.183  172.696 400.1366 223.3428 
1 1 1   17    2   43 o  1016.05  115.431   19.620   3.6072   24.818   6.6530   17.455   4.2930  919.942  231.226  892.693  159.434 27.24890 280.8642 
1 1 1   17    2   45 o  755.879  156.622   13.452   3.5851   11.087   4.8694   16.250   5.2980  549.729  207.355  684.015  218.824 -134.2864 301.4628 
1 1 1   17    2   47 o  1362.06  164.930   49.105   6.8908   52.416   9.6243   45.622   9.8706  951.624  293.640  750.778  292.113 200.8458 414.1914 
1 1 1   17    2   49 o  329.936  144.700   3.5473   2.8657   1.5597   4.5063   4.8968   3.7132  293.540  143.943  345.724  157.131 -52.18411 213.0949 
1 1 1   17    3    0 o  2411.44   79.353   91.528   5.9918   91.768   8.4725   91.288   8.4748  2408.16  112.360  2401.79  112.688 6.376953 159.1326 
1 1 1   17    3    2 o  3172.54   92.261  158.824   9.1652  171.350   12.981  146.372   12.942  3284.07  126.233  3031.61  136.341 252.4651 185.8051 
1 1 1   17    3    4 o  2257.74   91.473   80.506   6.4667   81.276   7.9308   78.977   11.171  2263.64  111.890  2210.11  162.558 53.53149 197.3435 
1 1 1   17    3    6 o  3075.61   91.371  149.594   8.7995  155.981   12.452  143.223   12.436  3125.95  127.219  2992.85  132.707 133.0967 183.8361 
1 1 1   17    3    8 f  2342.15   80.411   86.663   5.8973   86.733   8.3377   86.592   8.3422  2332.50  114.159  2330.54  114.316 1.956543 161.5560 
1 1 1   17    3   10 o  1802.06   73.787   51.289   4.1636   49.912   5.8904   52.665   5.8860  1766.18  107.016  1815.47  103.974 -49.29065 149.2080 
1 1 1   17    3   12 o  2711.84   99.441  117.182   8.4440  100.561   14.606  125.525   10.349  2448.56  192.042  2796.69  118.175 -348.1289 225.4894 
1 1 1   17    3   14 o  359.350  108.183   2.0890   1.3171  -0.4459   2.4649   3.1020   1.5582  306.542  134.326  431.959  113.664 -125.4175 175.9633 
1 1 1   17    3   16 o  696.370  114.830   7.9937   2.4166   7.6079   3.4808   8.3527   3.3576  664.913  167.320  699.499  157.132 -34.58655 229.5354 
1 1 1   17    3   18 o  1010.92   82.479   16.370   2.5881   16.374   4.5924   16.368   3.1329  984.699  153.988  1005.32  100.886 -20.61884 184.0928 
1 1 1   17    3   20 o  1026.50   83.479   16.936   2.6600   16.991   4.7818   16.912   3.2009  996.197  158.614  1019.49  101.625 -23.29376 188.3776 
1 1 1   17    3   22 o  1775.26   86.836   50.559   4.8270   48.095   8.4013   51.773   5.8976  1676.32  162.079  1783.11  106.108 -106.7917 193.7222 
1 1 1   17    3   24 o  818.055   90.559   10.882   2.2808   10.557   3.9940   11.039   2.7784  772.497  169.751  816.402  111.608 -43.90533 203.1544 
1 1 1   17    3   26 o  349.805  129.969   1.6363   1.8988   0.5083   2.8905   2.4925   2.5184  355.899  150.516  413.553  150.342 -57.65375 212.7386 
1 1 1   17    3   28 o  1695.11   88.834   46.256   4.6987   42.536   8.1372   48.117   5.7552  1571.35  167.984  1718.13  107.517 -146.7756 199.4455 
1 1 1   17    3   30 o  1167.94  108.272   22.416   3.9146   22.333   5.6463   22.493   5.4320  1132.82  163.947  1142.19  155.956 -9.374756 226.2766 
1 1 1   17    3   32 o  787.718  101.193   10.260   2.4383   8.8768   4.2149   10.956   2.9892  691.638  189.166  804.974  122.452 -113.3364 225.3403 
1 1 1   17    3   34 o  1220.33  160.393   26.299   5.9804   0.0000   0.0000   26.299   5.9804  ?   ?   1220.33  160.393 0.000000 160.3927 
1 1 1   17    3   36 o  1414.62   96.494   32.953   4.2487   39.846   7.9228   30.170   5.0337  1478.76  174.465  1334.10  121.843 144.6666 212.8002 
1 1 1   17    3   38 o  3062.11  109.645  158.329   10.513  183.126   18.530  146.557   12.767  3061.27  194.313  2876.64  141.736 184.6338 240.5132 
1 1 1   17    3   40 o  1067.15  108.427   19.948   3.5728   24.901   7.3132   18.395   4.0947  1015.58  234.684  997.294  134.559 18.28735 270.5232 
1 1 1   17    3   42 o  1407.22  122.996   37.434   5.3652   0.0000   0.0000   37.434   5.3652  ?   ?   1407.22  122.996 0.000000 122.9958 
1 1 1   17    3   46 f  608.680  192.754   11.894   4.1189   0.0000   0.0000   11.894   4.1189  ?   ?   608.680  192.754 0.000000 192.7543 
1 1 1   17    3   48 o  275.337  128.900   0.7230   2.7803  -3.0125   5.3714   2.0901   3.2495  277.053  139.216  307.965  142.531 -30.91220 199.2391 
1 1 1   17    3   50 o  606.299  204.382   17.850   4.5979   0.0000   0.0000   17.850   4.5979  ?   ?   606.299  204.382 0.000000 204.3819 
1 1 1   17    4    1 o  372.824   97.149   2.2762   1.1456   1.9478   1.6883   2.5565   1.5595  364.030  123.843  398.257  117.201 -34.22705 170.5084 
1 1 1   17    4    3 o  3323.08   95.642  174.529   9.9519  168.389   14.075  180.667   14.073  3247.46  138.414  3366.04  133.525 -118.5789 192.3211 
1 1 1   17    4    5 o  432.561  103.213   3.0837   1.3785   1.7613   2.4877   3.6696   1.6560  389.266  147.875  471.305  113.554 -82.03934 186.4443 
1 1 1   17    4    7 o  836.141   71.922   11.102   1.8647   11.667   2.6383   10.538   2.6360  851.713  100.886  807.517  106.874 44.19537 146.9700 
1 1 1   17    4    9 o  2087.93   89.419   69.095   5.8460   72.142   10.126   67.572   7.1597  2102.95  154.873  2054.94  111.689 48.00220 190.9450 
1 1 1   17    4   11 o  2120.45   89.628   71.366   5.9510   63.091   10.287   75.528   7.2956  1953.34  169.880  2175.07  107.121 -221.7355 200.8335 
1 1 1   17    4   13 f  706.887  114.554   8.2013   2.4488   7.4315   3.5366   8.9102   3.3941  659.330  170.156  726.125  154.048 -66.79468 229.5303 
1 1 1   17    4   15 o  1007.34   83.333   16.216   2.6049   17.213   4.5950   15.743   3.1621  1016.78  148.722  986.961  103.880 29.82275 181.4088 
1 1 1   17    4   17 o  1386.27  147.102   31.876   6.2878   0.0000   0.0000   31.876   6.2878  ?   ?   1386.27  147.102 0.000000 147.1020 
1 1 1   17    4   19 f  1272.46   81.898   25.909   3.2458   28.413   5.7420   24.734   3.9347  1305.20  142.829  1235.56  102.632 69.64648 175.8793 
1 1 1   17    4   21 o  1102.31   85.114   19.558   2.9151   18.220   5.1444   20.191   3.5379  1026.28  165.732  1113.34  102.639 -87.05554 194.9410 
1 1 1   17    4   23 o  179.486   84.393  -1.2500   1.2140  -0.5824   2.1388  -1.5674   1.4746  277.285  123.155  196.024   92.425 81.26109 153.9793 
1 1 1   17    4   25 o  1144.76  158.531   22.426   5.5300   22.426   5.5300   0.0000   0.0000  1144.76  158.531  ?   ?  0.000000 158.5306 
1 1 1   17    4   27 o  1509.75   85.204   36.595   4.0115   40.614   7.2606   34.830   4.8128  1550.70  151.463  1462.99  105.772 87.70593 184.7397 
1 1 1   17    4   29 o  595.823  121.394   6.0161   2.1879   6.9497   4.4815   5.7239   2.5070  623.257  201.453  575.306  140.403 47.95087 245.5529 
1 1 1   17    4   31 o  1509.21   88.638   36.830   4.1704   57.848   7.7620   28.300   4.9447  1856.15  134.461  1303.30  122.607 552.8540 181.9672 
1 1 1   17    4   33 o  985.461  123.103   16.372   3.7158   19.282   5.9578   14.519   4.7536  1021.86  193.277  895.596  175.784 126.2677 261.2588 
1 1 1   17    4   35 o  1395.99  114.007   32.538   4.9400   0.0000   0.0000   32.538   4.9400  ?   ?   1395.99  114.007 0.000000 114.0074 
1 1 1   17    4   37 o  1646.04  117.055   45.904   5.9939   0.0000   0.0000   45.904   5.9939  ?   ?   1646.04  117.055 0.000000 117.0549 
1 1 1   17    4   39 o  617.123  224.070   8.8189   5.5916   0.0000   0.0000   8.8189   5.5916  ?   ?   617.123  224.070 0.000000 224.0699 
1 1 1   17    4   41 o  578.148  167.463   7.2268   3.2064   0.0000   0.0000   7.2268   3.2064  ?   ?   578.148  167.463 0.000000 167.4629 
1 1 1   17    4   45 o  362.687  150.169   2.9909   2.7863   6.2567   6.3911   2.2245   3.0961  413.055  194.028  341.890  150.163 71.16431 245.3479 
1 1 1   17    4   47 o  365.605  154.431   3.8729   3.0368  -5.4096   7.0174   6.0120   3.3686  295.143  149.512  423.890  168.889 -128.7467 225.5599 
1 1 1   17    4   49 o  228.656  112.119  -1.6412   2.7327 -10.4531   7.0676  -0.0922   2.9631  ?   ?   256.767  123.744 0.000000 123.7442 
1 1 1   17    5    0 f  1396.46   69.715   30.674   3.0484   30.043   4.3314   31.292   4.2911  1374.88  101.325  1403.95   98.231 -29.06726 141.1244 
1 1 1   17    5    2 o  2244.65   78.823   79.395   5.5401   74.985   7.8323   83.810   7.8376  2170.43  115.664  2299.52  108.850 -129.0886 158.8279 
1 1 1   17    5    4 f  398.390   91.660   2.6085   1.1196   2.5854   1.5702   2.6323   1.5969  399.738  117.596  403.263  118.578 -3.524902 167.0016 
1 1 1   17    5    6 o  852.498   70.996   11.531   1.8779   12.692   2.7012   10.446   2.6125  889.430   98.653  804.198  106.359 85.23248 145.0672 
1 1 1   17    5    8 o  2190.20   78.634   75.794   5.3927   76.834   7.6290   74.756   7.6240  2192.42  111.497  2161.88  113.017 30.53418 158.7585 
1 1 1   17    5   10 o  1436.29   99.774   32.976   4.4594   0.0000   0.0000   32.976   4.4594  ?   ?   1436.29   99.774 0.000000 99.77356 
1 1 1   17    5   12 o  1259.00   82.084   25.213   3.2182   23.315   5.6173   26.141   3.9265  1186.82  154.846  1277.57   98.924 -90.74841 183.7480 
1 1 1   17    5   14 o  524.440  125.963   4.6077   2.0425   0.7083   2.9198   8.3447   2.8583  369.038  153.337  707.362  133.954 -338.3236 203.6072 
1 1 1   17    5   16 o  341.958  111.574   1.8220   1.3730   0.8792   2.6076   2.1836   1.6149  357.279  146.316  372.530  120.981 -15.25146 189.8541 
1 1 1   17    5   18 o  2082.64  112.727   70.254   7.3239   66.873   10.394   73.587   10.321  1991.68  168.240  2098.27  158.259 -106.5891 230.9773 
1 1 1   17    5   20 o  400.653  115.521   2.6740   1.5290   4.8130   3.1738   2.0276   1.7448  532.502  169.262  365.325  125.854 167.1763 210.9241 
1 1 1   17    5   22 o  369.031  119.715   2.1801   1.5815   4.0359   3.5448   1.7189   1.7672  504.354  178.974  348.612  126.059 155.7414 218.9122 
1 1 1   17    5   24 o  1288.55   86.067   26.686   3.4526   29.090   6.3890   25.694   4.1034  1306.49  159.484  1256.25  105.287 50.23840 191.1037 
1 1 1   17    5   26 o  985.561   88.087   15.669   2.6898   15.383   3.4130   16.138   4.3697  966.607  115.020  975.659  147.650 -9.051819 187.1635 
1 1 1   17    5   28 o  768.419   99.587   9.6709   2.3398   14.427   3.8618   6.9122   2.9411  924.955  137.524  630.904  150.909 294.0505 204.1721 
1 1 1   17    5   30 f  1094.39  103.440   19.601   3.5027   20.523   5.0214   18.727   4.8884  1094.87  150.443  1042.90  154.357 51.97900 215.5439 
1 1 1   17    5   32 o  1274.57  103.636   26.652   4.1003   28.626   5.8869   24.792   5.7144  1291.61  148.244  1195.36  156.422 96.24609 215.5089 
1 1 1   17    5   34 o  1679.99   90.116   45.855   4.7232   48.639   7.9492   44.337   5.8722  1674.64  153.296  1632.91  115.595 41.72363 191.9949 
1 1 1   17    5   36 o  2359.04   96.817   91.254   7.1516  105.036   12.205   84.047   8.8255  2432.16  161.170  2225.03  127.202 207.1377 205.3201 
1 1 1   17    5   38 o  1246.10   82.271   25.509   3.1920   31.536   4.6013   19.918   4.4318  1362.88  108.727  1057.78  137.025 305.0997 174.9207 
1 1 1   17    5   40 o  1927.76   82.852   62.091   5.0012   62.923   7.1426   61.292   7.0049  1869.41  122.702  1846.66  121.827 22.75073 172.9095 
1 1 1   17    5   42 o  547.182  222.947   9.5327   6.0157   9.5327   6.0157   0.0000   0.0000  547.182  222.947  ?   ?  0.000000 222.9468 
1 1 1   17    5   44 o  828.774  130.725   14.054   3.2800   15.158   4.5193   12.825   4.7679  759.764  190.358  648.318  207.608 111.4469 281.6682 
1 1 1   17    5   46 o  369.387  151.616   3.4885   2.8079   3.1992   6.6633   3.5510   3.0962  362.845  177.315  368.789  155.863 -5.943390 236.0806 
1 1 1   17    5   48 o  262.819  123.642   0.2185   2.6118   1.4039   6.8838   0.0192   2.8229  318.688  159.796  264.312  125.584 54.37570 203.2387 
1 1 1   17    5   50 o  346.427  149.618   4.7269   2.9664   2.2684   5.5938   5.6888   3.4989  289.826  145.138  352.364  156.951 -62.53836 213.7723 
1 1 1   17    6    1 o  1878.17   74.358   55.556   4.3730   52.535   6.1761   58.594   6.1927  1817.08  109.053  1920.88  103.339 -103.8018 150.2380 
1 1 1   17    6    3 o  2407.79   81.331   91.476   6.1318   91.484   8.6735   91.468   8.6699  2398.47  115.490  2398.27  115.451 0.1975098 163.3002 
1 1 1   17    6    5 o  201.649   83.881   0.1433   0.8752  -1.2742   1.2395   1.5525   1.2358  182.755   85.719  320.152  105.923 -137.3971 136.2624 
1 1 1   17    6    7 o  352.257   98.020   2.0274   1.1207   2.9565   1.5725   1.0683   1.5977  423.595  115.413  309.492  118.283 114.1028 165.2604 
1 1 1   17    6    9 o  1497.51  102.886   35.855   4.7951   36.857   6.7975   34.864   6.7653  1502.75  146.314  1459.64  150.163 43.10950 209.6587 
1 1 1   17    6   11 o  1635.65  103.575   42.801   5.2773   43.021   7.5047   42.586   7.4225  1621.41  149.499  1613.56  148.579 7.852905 210.7740 
1 1 1   17    6   13 o  295.078  107.186   1.1553   1.2797   6.2425   2.9251  -0.0490   1.4232  607.053  153.724  243.321  104.343 363.7324 185.7914 
1 1 1   17    6   15 o  1077.89   85.708   18.572   2.8689   16.143   5.2220   19.622   3.4334  971.957  178.147  1104.01  100.418 -132.0535 204.5001 
1 1 1   17    6   17 o  654.126   98.887   6.9943   1.9622   4.5068   3.6455   8.0089   2.3283  530.768  181.972  697.600  110.252 -166.8320 212.7656 
1 1 1   17    6   19 o  717.429  123.629   8.6000   2.6770   4.8910   4.0902   11.379   3.5407  549.867  192.508  819.985  143.106 -270.1176 239.8723 
1 1 1   17    6   21 o  1186.48  147.255   23.718   5.3531   0.0000   0.0000   23.718   5.3531  ?   ?   1186.48  147.255 0.000000 147.2554 
1 1 1   17    6   23 o  958.741  152.199   15.648   4.4164   0.0000   0.0000   15.648   4.4164  ?   ?   958.741  152.199 0.000000 152.1987 
1 1 1   17    6   25 o  897.542   88.004   12.999   2.4415   14.787   4.0974   12.014   3.0401  936.065  144.441  852.938  116.905 83.12622 185.8230 
1 1 1   17    6   27 o  1950.78   90.244   60.981   5.5125   67.315   9.4836   57.750   6.7744  2002.85  152.361  1881.51  115.546 121.3414 191.2193 
1 1 1   17    6   29 o  1373.97  102.916   30.711   4.3955   32.692   6.2406   28.760   6.1921  1392.73  145.238  1299.03  155.310 93.70215 212.6386 
1 1 1   17    6   31 f  1014.21   81.714   16.590   2.5730   14.077   3.6225   19.149   3.6553  913.221  130.383  1077.90  109.836 -164.6757 170.4804 
1 1 1   17    6   33 o  1637.95   77.042   43.000   3.9514   46.872   5.5904   39.136   5.5857  1689.70  106.202  1535.82  117.031 153.8795 158.0356 
1 1 1   17    6   35 o  944.432   87.641   14.560   2.5622   11.167   3.6878   17.727   3.5626  792.883  154.089  1030.02  112.278 -237.1334 190.6563 
1 1 1   17    6   37 o  1737.34   79.578   48.987   4.3291   52.209   6.1823   45.888   6.0639  1759.67  112.796  1643.14  118.656 116.5264 163.7132 
1 1 1   17    6   39 o  597.184  140.061   6.6917   2.5737   6.5395   5.9278   6.7271   2.8571  547.969  222.036  589.357  153.350 -41.38831 269.8454 
1 1 1   17    6   41 o  937.998  127.012   16.507   3.6345   15.625   4.2955   18.731   6.8190  867.017  164.237  800.997  247.169 66.01978 296.7598 
1 1 1   17    6   43 o  532.981  232.754   11.669   7.3447   11.669   7.3447   0.0000   0.0000  532.981  232.754  ?   ?  0.000000 232.7544 
1 1 1   17    6   45 o  464.849  160.542   5.5917   2.8400   0.0000   0.0000   5.5917   2.8400  ?   ?   464.849  160.542 0.000000 160.5423 
1 1 1   17    6   47 o  399.047  166.520   5.2043   3.4646   0.0000   0.0000   5.2043   3.4646  ?   ?   399.047  166.520 0.000000 166.5203 
1 1 1   17    6   49 o  441.019  182.074   9.2324   4.0791   0.0000   0.0000   9.2324   4.0791  ?   ?   441.019  182.074 0.000000 182.0745 
1 1 1   17    7    0 o  2067.72   76.772   67.381   4.9706   69.481   7.0574   65.313   7.0020  2090.25  108.198  2025.65  110.814 64.59839 154.8757 
1 1 1   17    7    2 f  1400.44   83.070   31.066   3.6265   32.265   4.4549   28.711   6.2440  1423.51  100.591  1327.64  152.997 95.87268 183.1030 
1 1 1   17    7    4 o  1038.31   83.715   17.140   2.6986   16.339   3.3379   18.653   4.5852  1008.56  107.346  1069.44  140.310 -60.88025 176.6641 
1 1 1   17    7    6 o  1443.73   71.225   32.868   3.2199   30.775   4.5759   34.920   4.5315  1387.12  106.158  1480.23   98.328 -93.10437 144.6995 
1 1 1   17    7    8 o  2319.99   94.038   85.397   6.8313   75.820   11.915   90.087   8.3379  2142.69  179.233  2376.25  112.059 -233.5664 211.3807 
1 1 1   17    7   10 o  407.206   92.293   2.7340   1.1496   2.3001   1.6745   3.1209   1.5811  382.842  123.080  434.161  114.617 -51.31888 168.1836 
1 1 1   17    7   12 o  736.085   84.024   8.6936   1.9019   11.229   3.3031   7.4363   2.3263  825.076  132.324  672.839  114.519 152.2372 174.9979 
1 1 1   17    7   14 o  1426.73  149.577   33.550   6.5829   0.0000   0.0000   33.550   6.5829  ?   ?   1426.73  149.577 0.000000 149.5772 
1 1 1   17    7   16 o  728.812  165.275   9.1268   3.6849   0.0000   0.0000   9.1268   3.6849  ?   ?   728.812  165.275 0.000000 165.2748 
1 1 1   17    7   18 o  513.565  158.948   4.4279   2.8176   0.0000   0.0000   4.4279   2.8176  ?   ?   513.565  158.948 0.000000 158.9479 
1 1 1   17    7   20 o  1056.19  106.386   18.170   3.4705   0.0000   0.0000   18.170   3.4705  ?   ?   1056.19  106.386 0.000000 106.3859 
1 1 1   17    7   22 o  1913.92  158.729   61.603   9.4267   0.0000   0.0000   61.603   9.4267  ?   ?   1913.92  158.729 0.000000 158.7285 
1 1 1   17    7   24 o  1362.13   73.562   29.541   3.1259   30.645   4.4546   28.470   4.3876  1376.09  104.153  1325.06  106.652 51.02917 149.0720 
1 1 1   17    7   26 o  1286.13   73.722   26.357   2.9565   31.092   4.2160   21.776   4.1472  1388.42   97.596  1153.35  116.428 235.0757 151.9228 
1 1 1   17    7   28 o  942.657   79.210   14.263   2.3164   15.699   3.3645   12.968   3.1938  977.883  111.895  885.303  118.162 92.57971 162.7352 
1 1 1   17    7   30 o  1890.00   81.302   57.151   4.8115   58.448   6.7925   55.844   6.8165  1887.84  115.463  1842.74  118.769 45.09619 165.6431 
1 1 1   17    7   32 o  698.030   93.450   7.9975   1.9913   10.342   2.7817   5.5334   2.8517  786.183  116.527  560.492  156.497 225.6906 195.1151 
1 1 1   17    7   34 o  1581.69   86.427   40.475   4.2642   45.042   7.0770   37.871   5.3431  1627.24  140.263  1512.17  113.675 115.0687 180.5432 
1 1 1   17    7   36 o  2699.14   88.437  118.583   7.4744  119.169   10.571  117.997   10.570  2652.15  127.291  2638.02  127.959 14.12622 180.4895 
1 1 1   17    7   38 o  779.429  107.969   10.442   2.5643   12.420   4.1718   9.2404   3.2510  801.274  171.456  702.956  152.114 98.31799 229.2070 
1 1 1   17    7   40 o  551.519  194.143   6.9603   4.1630   6.9603   4.1630   0.0000   0.0000  551.519  194.143  ?   ?  0.000000 194.1432 
1 1 1   17    7   42 o  1468.69   99.554   38.409   4.5512   39.598   5.9385   36.716   7.0852  1422.52  134.936  1271.99  183.171 150.5330 227.5067 
1 1 1   17    7   44 f  1061.75  126.603   22.623   4.1261   21.822   6.4290   23.184   5.3803  807.567  238.052  967.756  184.282 -160.1895 301.0462 
1 1 1   17    7   46 f  448.821  164.626   5.6985   3.0294  -8.0403   7.8273   8.1190   3.2854  307.208  155.861  535.309  172.432 -228.1008 232.4339 
1 1 1   17    7   48 o  913.219  142.183   20.200   3.9334   22.896   6.8398   18.868   4.8080  590.752  238.810  732.916  202.694 -142.1633 313.2329 
1 1 1   17    8    1 o  1430.53   84.207   32.428   3.7553   31.553   4.6153   34.142   6.4597  1406.20  105.588  1451.70  144.008 -45.49658 178.5695 
1 1 1   17    8    3 o  600.025   92.684   5.8288   1.6853   5.5904   2.8887   5.9518   2.0750  578.550  155.927  601.929  114.270 -23.37891 193.3154 
1 1 1   17    8    5 o  246.515   96.751   0.5668   1.0901  -1.2663   1.8410   1.5566   1.3528  238.201  109.164  325.165  110.855 -86.96336 155.5816 
1 1 1   17    8    7 o  300.757  103.506   1.3126   1.1800   2.7709   1.9647   0.4897   1.4758  418.488  133.190  272.268  110.623 146.2203 173.1391 
1 1 1   17    8    9 o  719.891  105.529   8.4171   2.3082   6.9169   3.1741   10.101   3.3625  640.163  159.054  779.886  142.961 -139.7229 213.8598 
1 1 1   17    8   11 o  1018.13   82.491   16.515   2.6072   18.749   4.4333   15.334   3.2237  1070.58  135.265  974.865  107.387 95.71936 172.7096 
1 1 1   17    8   13 o  439.337  123.958   3.1927   1.7794   5.3100   2.3814   0.5161   2.6775  562.031  136.644  349.931  146.237 212.0990 200.1417 
1 1 1   17    8   15 o  685.882  120.323   7.7891   2.4899   0.0000   0.0000   7.7891   2.4899  ?   ?   685.882  120.323 0.000000 120.3226 
1 1 1   17    8   17 o  1247.99   87.647   24.945   3.4033   22.986   6.0890   25.835   4.1043  1161.22  172.721  1264.21  104.621 -102.9965 201.9360 
1 1 1   17    8   19 o  635.815  167.113   7.0221   3.3707   0.0000   0.0000   7.0221   3.3707  ?   ?   635.815  167.113 0.000000 167.1126 
1 1 1   17    8   21 f  339.655  138.396   0.8653   2.3182   0.6322   3.7329   1.0116   2.9577  403.330  170.838  378.043  155.440 25.28714 230.9704 
1 1 1   17    8   23 o  713.489  104.615   8.3400   2.2678   9.4124   4.7677   8.0264   2.5781  727.603  202.065  694.042  123.142 33.56128 236.6308 
1 1 1   17    8   25 o  1144.21   76.922   20.888   2.7400   19.790   3.9103   21.947   3.8404  1100.94  115.134  1163.21  106.627 -62.27539 156.9237 
1 1 1   17    8   27 o  637.680  117.438   6.7893   2.2585   6.8935   2.5601   6.4233   4.7967  637.987  132.484  614.221  208.744 23.76593 247.2366 
1 1 1   17    8   29 o  1257.92   89.299   25.490   3.4945   23.181   5.6646   26.910   4.4401  1164.43  159.556  1282.68  111.663 -118.2478 194.7478 
1 1 1   17    8   31 o  1482.73   85.631   35.378   3.9587   31.632   6.5722   37.510   4.9594  1359.16  157.336  1516.72  105.073 -157.5521 189.1950 
1 1 1   17    8   33 o  867.323  110.125   12.474   2.9234   9.7170   4.1779   15.119   4.0919  730.425  183.039  939.037  143.739 -208.6122 232.7318 
1 1 1   17    8   35 o  2347.07  118.959   91.906   8.7140   99.142   12.373   84.784   12.275  2367.26  168.010  2166.27  182.663 200.9878 248.1799 
1 1 1   17    8   37 o  1639.67  109.190   45.323   5.5740   47.315   7.9856   43.430   7.7839  1611.62  160.374  1538.79  164.079 72.83411 229.4374 
1 1 1   17    8   39 o  1207.09   97.883   24.850   3.6678   25.839   4.8160   23.484   5.6598  1193.91  130.976  1088.06  171.827 105.8571 216.0539 
1 1 1   17    8   41 o  631.213  131.593   7.6725   2.5166   14.186   3.9657   3.2809   3.2563  832.234  157.957  414.367  165.733 417.8670 228.9498 
1 1 1   17    8   43 o  456.108  170.838   5.0375   3.2937   7.6790   4.2359   0.9984   5.2380  524.888  194.301  373.489  175.510 151.3989 261.8330 
1 1 1   17    8   45 o  318.219  156.599  -2.4559   5.4872   0.0000   0.0000  -2.4559   5.4872  ?   ?   318.219  156.599 0.000000 156.5990 
1 1 1   17    8   47 o  384.996  190.886   8.3198   8.7096   0.0000   0.0000   8.3198   8.7096  ?   ?   384.996  190.886 0.000000 190.8859 
1 1 1   17    9    0 o  1935.03  105.408   59.606   6.3627   71.070   9.0787   48.540   8.9198  2101.16  138.771  1723.58  167.385 377.5757 217.4287 
1 1 1   17    9    2 o  1995.59   87.172   62.963   5.4471   68.646   9.4612   60.145   6.6620  2060.22  147.641  1941.87  110.016 118.3470 184.1232 
1 1 1   17    9    4 o  914.839   83.394   13.331   2.3626   9.4520   4.0763   15.294   2.8993  747.285  176.942  977.843   95.926 -230.5577 201.2715 
1 1 1   17    9    6 o  688.473   90.424   7.6293   1.9022   9.3936   3.2390   6.7005   2.3501  752.492  142.688  637.504  122.179 114.9873 187.8498 
1 1 1   17    9    8 o  1627.12   83.971   41.987   4.2637   40.517   7.3624   42.729   5.2299  1576.05  151.038  1636.37  102.588 -60.32117 182.5839 
1 1 1   17    9   10 o  1098.27   73.492   19.129   2.5128   20.098   3.6032   18.211   3.5060  1118.91  104.035  1063.93  106.676 54.97913 149.0067 
1 1 1   17    9   12 o  349.276  106.453   1.9581   1.2696   3.5692   1.7574   0.1996   1.8360  463.107  120.160  285.659  120.339 177.4480 170.0586 
1 1 1   17    9   14 o  1755.07   86.122   48.936   4.7329   50.010   8.1207   48.384   5.8244  1742.98  150.262  1734.94  107.746 8.033081 184.8994 
1 1 1   17    9   16 o  836.676   90.108   11.280   2.3234   10.327   2.8377   13.217   4.0470  792.130  118.009  885.846  151.337 -93.71594 191.9090 
1 1 1   17    9   18 o  1615.08   88.391   41.710   4.4532   40.993   8.0832   42.023   5.3360  1559.62  168.180  1613.74  106.194 -54.11914 198.9007 
1 1 1   17    9   20 o  222.986  103.015  -1.2982   1.6861  -2.5129   3.6843  -0.9764   1.8964  330.540  152.553  249.390  112.930 81.15019 189.8040 
1 1 1   17    9   22 o  1528.68  151.200   38.772   7.1425   0.0000   0.0000   38.772   7.1425  ?   ?   1528.68  151.200 0.000000 151.1997 
1 1 1   17    9   24 o  362.991  139.159   1.5456   2.2157   0.0000   0.0000   1.5456   2.2157  ?   ?   362.991  139.159 0.000000 139.1591 
1 1 1   17    9   26 o  2317.05   97.147   86.016   7.0483   81.923   11.991   88.177   8.7121  2199.75  175.555  2329.41  119.848 -129.6636 212.5633 
1 1 1   17    9   28 o  857.532  109.589   12.067   2.8753   10.115   4.0609   14.029   4.0717  759.115  174.498  909.826  148.012 -150.7119 228.8161 
1 1 1   17    9   30 o  544.760  130.554   5.0706   2.1979   3.5318   3.1301   6.5671   3.0869  475.408  168.238  612.920  159.357 -137.5118 231.7294 
1 1 1   17    9   32 o  804.803  114.168   10.764   2.7964   8.2116   3.9783   13.258   3.9316  674.806  183.456  878.841  148.139 -204.0352 235.7993 
1 1 1   17    9   34 o  1574.32   87.463   40.099   4.2946   41.889   5.4273   37.102   7.0237  1594.88  109.337  1464.46  155.551 130.4180 190.1330 
1 1 1   17    9   36 o  2885.09  107.297  138.329   9.6931  123.829   16.455  146.033   11.995  2527.99  209.774  2923.01  131.057 -395.0225 247.3477 
1 1 1   17    9   38 o  386.478  144.724   2.4046   2.3634   0.0000   0.0000   2.4046   2.3634  ?   ?   386.478  144.724 0.000000 144.7239 
1 1 1   17    9   40 o  1088.15  130.260   21.941   4.3501   21.951   5.6010   21.924   6.9057  1018.99  182.231  928.591  236.775 90.40173 298.7817 
1 1 1   17    9   42 o  284.790  129.332  -0.2101   2.5091   2.2441   2.8605  -8.3978   5.2249  367.286  152.121  285.001  142.355 82.28482 208.3404 
1 1 1   17    9   44 o  475.501  203.583   7.5056   5.4022  -0.8934   10.050   10.919   6.4065  391.500  195.829  523.552  222.863 -132.0515 296.6768 
1 1 1   17    9   46 o  403.818  198.931   7.4822   8.9321   0.0000   0.0000   7.4822   8.9321  ?   ?   403.818  198.931 0.000000 198.9307 
1 1 1   17    9   48 o  260.862  128.586  -2.1887   3.7511  -5.1910   4.0996   13.253   9.2975  242.795  121.954  389.562  193.826 -146.7666 229.0008 
1 1 1   17   10    1 o  2418.82   81.251   92.359   6.1539   83.554   8.7156  101.113   8.6902  2285.72  122.217  2522.23  110.035 -236.5032 164.4528 
1 1 1   17   10    3 o  308.027  104.710   1.3955   1.2070  -0.4852   1.7950   2.9473   1.6306  258.505  113.914  423.930  118.328 -165.4246 164.2495 
1 1 1   17   10    5 o  1071.53   71.812   18.180   2.3955   17.859   3.4393   18.481   3.3385  1055.19  105.507  1074.77  100.361 -19.58801 145.6166 
1 1 1   17   10    7 o  1532.66   72.180   37.048   3.4640   40.792   4.9323   33.404   4.8660  1600.18   98.922  1444.87  108.344 155.3160 146.7105 
1 1 1   17   10    9 o  816.413   78.217   10.626   1.9750   12.959   2.8649   8.5132   2.7265  896.743  103.957  719.041  125.674 177.7020 163.0981 
1 1 1   17   10   11 o  393.491  106.867   2.5520   1.3508   1.8668   1.9551   3.1777   1.8684  368.356  132.683  439.809  127.959 -71.45313 184.3319 
1 1 1   17   10   13 o  377.487  118.782   2.2726   1.5662   1.0447   1.8880   4.9818   2.8045  324.435  127.328  544.459  156.303 -220.0247 201.6011 
1 1 1   17   10   15 o  855.503   81.904   11.720   2.1672   12.227   2.9572   11.133   3.1853  865.954  111.663  820.547  128.165 45.40649 169.9847 
1 1 1   17   10   17 o  576.261  116.310   5.5296   2.0264   3.2689   2.5383   9.5023   3.3648  455.048  151.862  749.680  148.592 -294.6320 212.4655 
1 1 1   17   10   19 o  373.349  132.442   2.0007   1.9410   0.6712   3.8661   2.4488   2.2443  412.948  174.327  406.948  142.593 5.999298 225.2169 
1 1 1   17   10   21 o  1046.71  117.874   17.841   3.7961   16.164   6.0157   18.951   4.8934  959.864  206.293  1066.73  150.696 -106.8671 255.4723 
1 1 1   17   10   23 o  412.533  155.755   2.1533   2.7492   0.0000   0.0000   2.1533   2.7492  ?   ?   412.533  155.755 0.000000 155.7555 
1 1 1   17   10   25 o  930.769  155.481   14.622   4.3716   0.0000   0.0000   14.622   4.3716  ?   ?   930.769  155.481 0.000000 155.4809 
1 1 1   17   10   27 o  724.755  118.775   8.7124   2.6021   10.273   3.7532   7.2678   3.6107  773.054  160.309  645.627  174.464 127.4262 236.9318 
1 1 1   17   10   29 o  745.823   93.625   9.0496   2.1383   7.3325   3.0126   10.793   3.0356  652.224  150.562  804.924  124.455 -152.7006 195.3408 
1 1 1   17   10   31 o  914.619   97.838   13.618   2.7585   10.946   4.3815   15.372   3.5505  783.930  181.993  963.392  120.323 -179.4617 218.1725 
1 1 1   17   10   33 o  1443.64   93.436   33.772   4.2010   39.633   6.9046   30.327   5.2936  1528.56  146.035  1348.66  126.843 179.9030 193.4300 
1 1 1   17   10   35 o  2378.41  102.973   92.960   7.6688   89.577   12.896   94.810   9.5387  2211.85  187.981  2367.43  129.163 -155.5803 228.0788 
1 1 1   17   10   37 o  375.279  129.090   2.3527   1.8353   3.4155   2.9270   1.6641   2.3560  445.111  162.040  358.637  141.760 86.47473 215.2971 
1 1 1   17   10   39 o  870.321  141.876   14.191   3.7332   15.866   4.6636   11.202   6.2286  885.539  174.396  656.049  236.751 229.4902 294.0488 
1 1 1   17   10   41 o  396.214  151.230   2.9376   2.6096   1.8419   3.0114   6.2422   5.2296  365.049  153.967  501.896  206.566 -136.8474 257.6342 
1 1 1   17   10   43 o  606.359  170.987   8.6098   3.3868   10.850   3.9159   1.9584   6.7468  669.133  182.052  406.523  193.444 262.6098 265.6382 
1 1 1   17   10   45 o  416.995  204.118   5.9058   8.9408   0.0000   0.0000   5.9058   8.9408  ?   ?   416.995  204.118 0.000000 204.1182 
1 1 1   17   10   47 o  206.547   98.928  -1.3742   1.8266   0.0000   0.0000  -1.3742   1.8266  ?   ?   206.547   98.928 0.000000 98.92840 
1 1 1   17   11    0 o  1240.81   72.983   24.343   2.8231   23.005   4.0395   25.620   3.9470  1198.87  108.791  1267.68  100.254 -68.81335 147.9404 
1 1 1   17   11    2 o  1369.99   73.201   29.664   3.1288   27.050   4.4697   32.176   4.3812  1299.98  110.866  1421.57   99.044 -121.5829 148.6638 
1 1 1   17   11    4 o  881.012   75.914   12.332   2.0738   14.002   2.9646   10.731   2.9019  933.844  103.105  812.719  117.436 121.1248 156.2752 
1 1 1   17   11    6 o  462.340  137.966   3.4818   2.1491   3.0535   3.6024   3.7185   2.6778  482.216  179.048  484.019  155.647 -1.803223 237.2428 
1 1 1   17   11    8 o  1793.44   75.731   50.785   4.2528   49.550   5.9921   52.038   6.0369  1760.30  109.251  1804.77  107.309 -44.46985 153.1375 
1 1 1   17   11   10 o  317.701  114.772   1.3588   1.4644   3.2768   1.8321  -2.0345   2.4368  445.611  125.795  264.401  122.743 181.2093 175.7558 
1 1 1   17   11   12 o  493.278  123.374   4.0642   1.9007   3.2320   2.3085   5.8158   3.3492  449.816  144.502  587.193  171.458 -137.3771 224.2291 
1 1 1   17   11   14 o  369.178  134.468   1.8465   2.0161   1.8465   2.0161   0.0000   0.0000  369.178  134.468  ?   ?  0.000000 134.4677 
1 1 1   17   11   16 o  413.832  122.105   2.8085   1.6907   3.1810   2.0841   2.0916   2.8916  442.153  136.680  416.485  159.138 25.66833 209.7768 
1 1 1   17   11   18 o  828.444  113.286   11.194   2.8617   11.837   4.0698   10.566   4.0247  836.714  161.183  787.146  168.385 49.56836 233.0959 
1 1 1   17   11   20 f  1393.26  104.929   31.175   4.5441   31.963   6.3936   30.371   6.4595  1393.59  148.820  1355.35  154.991 38.23523 214.8715 
1 1 1   17   11   22 o  2075.18  117.969   69.414   7.6339   62.482   11.076   75.687   10.536  1928.18  185.744  2143.22  158.118 -215.0377 243.9303 
1 1 1   17   11   24 o  1064.31  128.701   18.576   4.2020   0.0000   0.0000   18.576   4.2020  ?   ?   1064.31  128.701 0.000000 128.7006 
1 1 1   17   11   26 o  1605.73   96.797   41.374   4.8441   37.699   8.5709   43.098   5.8720  1483.41  188.801  1630.56  115.760 -147.1571 221.4636 
1 1 1   17   11   28 o  316.821  120.162   1.2063   1.6410  -1.6704   2.3276   4.0490   2.3138  263.154  121.383  490.210  142.332 -227.0563 187.0621 
1 1 1   17   11   30 o  1737.64   81.688   48.141   4.4446   43.947   6.3364   52.204   6.2362  1636.67  124.576  1792.40  111.669 -155.7250 167.2993 
1 1 1   17   11   32 o  580.612  123.810   5.7241   2.1822   6.2732   3.4360   5.3529   2.8251  596.345  173.533  554.696  156.077 41.64929 233.3966 
1 1 1   17   11   34 o  747.013  106.938   9.3060   2.4300   6.9698   3.5523   11.361   3.3314  618.317  175.380  812.892  135.664 -194.5756 221.7272 
1 1 1   17   11   36 o  832.030  102.936   11.648   2.6246   9.7836   3.9002   13.191   3.5481  716.573  175.271  865.649  135.331 -149.0757 221.4377 
1 1 1   17   11   38 o  513.815  160.361   5.1356   2.8611   5.1662   3.3550   5.0540   5.4783  510.819  174.574  514.660  211.573 -3.841339 274.2979 
1 1 1   17   11   40 o  562.596  162.288   6.5516   3.0169   5.7400   3.5508   8.6583   5.7208  514.526  179.408  576.742  222.945 -62.21521 286.1675 
1 1 1   17   11   42 o  293.755  131.361   0.1495   2.4769   0.1814   2.7263  -0.0012   5.9287  305.004  137.001  386.586  183.186 -81.58170 228.7498 
1 1 1   17   11   44 o  356.896  179.174  -6.4484   8.7896   0.0000   0.0000  -6.4484   8.7896  ?   ?   356.896  179.174 0.000000 179.1743 
1 1 1   17   11   46 o  498.208  144.727   5.7992   2.3918   4.4072   3.7513   6.7527   3.1047  399.329  170.274  500.064  167.949 -100.7347 239.1654 
1 1 1   17   12    1 o  521.513  106.395   4.4696   1.6786   2.4287   2.2700   6.9318   2.4934  410.453  143.430  648.269  127.376 -237.8162 191.8254 
1 1 1   17   12    3 o  1507.72   87.544   36.056   4.1152   35.147   5.0243   37.908   7.1730  1483.29  108.938  1526.79  152.062 -43.49976 187.0567 
1 1 1   17   12    5 o  1456.86   90.300   33.720   4.0990   27.372   7.2206   36.738   4.9790  1281.53  185.323  1516.98  105.476 -235.4562 213.2368 
1 1 1   17   12    7 o  1546.49   87.885   37.984   4.2382   36.102   5.2313   41.577   7.2299  1500.87  112.124  1598.90  146.021 -98.02905 184.1028 
1 1 1   17   12    9 o  1909.17   90.506   57.810   5.4105   55.049   6.6348   63.292   9.3481  1852.40  114.954  1969.09  152.811 -116.6935 191.2215 
1 1 1   17   12   11 f  391.376  121.318   2.4555   1.6407  -0.1531   1.9489   8.8022   3.0399  280.901  121.296  726.926  138.613 -446.0252 184.1914 
1 1 1   17   12   13 o  296.517  117.037   0.8167   1.6037   0.1583   1.9016   2.4386   2.9845  288.694  122.088  434.726  162.663 -146.0323 203.3831 
1 1 1   17   12   15 o  461.990  131.978   3.5310   2.0042   2.0258   2.5430   5.9990   3.2563  400.480  150.091  595.711  167.549 -195.2317 224.9439 
1 1 1   17   12   17 o  965.396   86.699   14.890   2.5929   17.318   3.6535   12.426   3.6804  1034.43  114.727  866.689  140.422 167.7435 181.3303 
1 1 1   17   12   19 o  1141.64  126.720   21.185   4.4535   0.0000   0.0000   21.185   4.4535  ?   ?   1141.64  126.720 0.000000 126.7205 
1 1 1   17   12   21 f  1289.68   81.865   26.444   3.2888   25.586   4.6396   27.312   4.6627  1257.77  119.229  1301.04  115.659 -43.26160 166.1101 
1 1 1   17   12   23 o  626.637  176.223   6.7012   3.6025   0.0000   0.0000   6.7012   3.6025  ?   ?   626.637  176.223 0.000000 176.2231 
1 1 1   17   12   25 o  549.620  173.456   5.0212   3.3376   0.0000   0.0000   5.0212   3.3376  ?   ?   549.620  173.456 0.000000 173.4563 
1 1 1   17   12   27 o  349.480  139.068   1.1455   2.2814  -5.8636   5.9464   2.3553   2.4705  388.821  184.017  409.770  148.914 -20.94913 236.7222 
1 1 1   17   12   29 o  1323.76   89.528   28.099   3.6891   20.040   5.8334   33.470   4.7625  1078.40  179.032  1438.46  106.491 -360.0579 208.3098 
1 1 1   17   12   31 f  813.203   98.033   10.779   2.4459   7.6018   3.4470   14.001   3.4712  658.649  166.925  918.451  123.858 -259.8023 207.8577 
1 1 1   17   12   33 o  973.433  112.685   15.708   3.3712   17.322   4.7971   14.132   4.7386  997.263  158.957  888.651  176.519 108.6122 237.5421 
1 1 1   17   12   35 o  946.026   98.850   14.855   2.8849   11.725   4.6314   16.839   3.6878  781.532  190.895  994.438  120.921 -212.9059 225.9708 
1 1 1   17   12   37 o  1119.27  130.814   22.158   4.4982   26.190   5.7330   15.700   7.2552  1188.16  158.014  800.542  256.069 387.6196 300.8984 
1 1 1   17   12   39 o  935.592   99.801   15.056   2.8786   12.771   4.2578   16.980   3.9068  789.810  176.597  962.401  133.213 -172.5907 221.2061 
1 1 1   17   12   41 o  216.158  104.321  -2.5759   2.1244  -2.8726   2.2727  -0.5220   5.9795  220.566  106.810  392.376  185.342 -171.8097 213.9159 
1 1 1   17   12   43 o  435.952  212.401   2.4690   9.3577   0.0000   0.0000   2.4690   9.3577  ?   ?   435.952  212.401 0.000000 212.4011 
1 1 1   17   12   45 o  743.771  125.148   11.107   2.8111   10.577   4.2314   11.526   3.7611  606.379  195.726  682.633  175.106 -76.25427 262.6229 
1 1 1   17   13    0 o  1472.51  107.590   34.604   4.9264   34.604   4.9264   0.0000   0.0000  1472.51  107.590  ?   ?  0.000000 107.5903 
1 1 1   17   13    2 o  1013.38  117.527   16.568   3.6601   16.568   3.6601   0.0000   0.0000  1013.38  117.527  ?   ?  0.000000 117.5274 
1 1 1   17   13    4 o  389.670  165.361   0.2830   3.5078   0.2830   3.5078   0.0000   0.0000  389.670  165.361  ?   ?  0.000000 165.3609 
1 1 1   17   13    6 f  797.768  125.683   10.419   3.0357   10.419   3.0357   0.0000   0.0000  797.768  125.683  ?   ?  0.000000 125.6825 
1 1 1   17   13    8 o  650.083  112.207   6.9235   2.2015   5.9091   2.6763   9.0464   3.8716  593.496  145.204  730.117  172.152 -136.6209 225.2115 
1 1 1   17   13   10 o  1636.36   90.019   42.577   4.5947   44.306   7.7190   41.629   5.7180  1646.76  151.392  1610.50  114.128 36.26477 189.5906 
1 1 1   17   13   12 o  1640.56   89.139   42.784   4.5619   39.547   5.6146   49.071   7.8253  1569.16  115.073  1736.42  145.256 -167.2620 185.3141 
1 1 1   17   13   14 o  993.328   83.083   15.716   2.5604   17.108   3.6015   14.294   3.6408  1029.35  113.633  935.991  127.547 93.36237 170.8235 
1 1 1   17   13   16 o  1885.99   91.833   56.382   5.4232   55.158   9.1872   57.037   6.7187  1835.72  161.473  1887.33  114.227 -51.61670 197.7915 
1 1 1   17   13   18 o  422.792  130.229   2.8746   1.8940   3.1766   2.6749   2.5710   2.6820  457.622  155.880  430.547  155.358 27.07477 220.0794 
1 1 1   17   13   20 o  881.549   90.932   12.450   2.4740   10.385   3.4446   14.650   3.5555  790.340  144.516  948.938  122.522 -158.5984 189.4634 
1 1 1   17   13   22 o  631.718  113.190   6.5658   2.1567   4.3696   3.0068   8.8932   3.0953  518.561  164.740  730.187  140.479 -211.6253 216.5035 
1 1 1   17   13   24 o  951.717   97.932   14.579   2.8768   13.308   4.4147   15.517   3.7926  887.271  164.973  973.311  127.508 -86.04028 208.5050 
1 1 1   17   13   26 o  574.776  148.777   5.6037   2.6984  -3.3327   6.0048   7.8649   3.0206  428.167  196.565  682.238  145.820 -254.0717 244.7472 
1 1 1   17   13   28 o  517.598  154.264   4.4949   2.6881   4.0827   7.3103   4.5594   2.8906  606.214  246.244  522.615  160.870 83.59912 294.1348 
1 1 1   17   13   30 o  2225.43  131.085   81.234   9.0941   0.0000   0.0000   81.234   9.0941  ?   ?   2225.43  131.085 0.000000 131.0846 
1 1 1   17   13   32 o  493.349  129.995   4.1694   2.0363   4.0670   2.8371   4.2782   2.9244  491.843  160.384  502.669  162.764 -10.82568 228.5058 
1 1 1   17   13   34 o  807.723  101.899   10.847   2.5199   13.270   3.6306   8.5960   3.5002  875.630  136.900  687.028  164.818 188.6025 214.2580 
1 1 1   17   13   36 o  400.120  151.078   2.4546   2.5866   4.2062   2.9172  -3.9865   5.5941  481.446  162.794  372.282  176.855 109.1634 240.3740 
1 1 1   17   13   38 o  329.602  156.989  -3.3544   4.4657  -5.9443   8.4761  -2.3593   5.2540  418.557  203.526  371.603  174.983 46.95383 268.4062 
1 1 1   17   13   40 o  330.032  140.125   1.0122   2.5209   1.7730   2.6946  -4.3246   7.1369  361.579  148.482  386.661  187.725 -25.08215 239.3484 
1 1 1   17   13   42 o  627.867  276.527   18.627   10.564   0.0000   0.0000   18.627   10.564  ?   ?   627.867  276.527 0.000000 276.5271 
1 1 1   17   13   44 o  641.547  182.296   10.170   3.8344   7.3951   4.1120   28.667   10.616  519.582  191.615  698.324  291.453 -178.7421 348.7994 
1 1 1   17   14    1 o  795.620  125.734   10.342   3.0283   10.342   3.0283   0.0000   0.0000  795.620  125.734  ?   ?  0.000000 125.7341 
1 1 1   17   14    3 o  975.288  129.596   15.470   3.8597   16.126   5.4389   14.805   5.4781  978.976  184.189  934.058  193.658 44.91833 267.2618 
1 1 1   17   14    5 f  1636.15   92.529   42.531   4.7210   48.093   5.7154   30.585   8.3759  1736.43  105.618  1346.95  205.064 389.4805 230.6651 
1 1 1   17   14    7 o  601.660  129.779   6.0125   2.3731   4.8560   2.7772   9.1418   4.5683  541.196  155.591  731.961  195.587 -190.7644 249.9260 
1 1 1   17   14    9 o  1187.86   96.294   22.517   3.5508   23.681   4.2457   19.807   6.4770  1214.17  112.970  1080.97  198.677 133.2042 228.5492 
1 1 1   17   14   11 o  1762.73   92.503   49.345   5.0879   50.009   6.1625   47.922   9.0178  1768.87  111.836  1708.40  170.866 60.47473 204.2119 
1 1 1   17   14   13 f  936.117  105.170   14.085   3.0294   15.054   3.5587   11.536   5.7734  964.398  120.475  818.355  220.387 146.0427 251.1663 
1 1 1   17   14   15 o  1029.34  120.532   17.118   3.8113   15.563   4.9106   19.474   6.0442  966.822  168.324  1077.98  185.773 -111.1572 250.6885 
1 1 1   17   14   17 o  1198.53  122.270   23.161   4.5244   26.746   5.8001   17.590   7.2307  1280.91  147.292  1005.65  234.020 275.2621 276.5141 
1 1 1   17   14   19 o  672.746  130.613   7.4898   2.6522   7.1144   2.9829   8.9068   5.7953  651.467  149.409  726.478  228.471 -75.01111 272.9874 
1 1 1   17   14   21 o  620.784  139.771   6.4491   2.6515   7.0632   3.0163   4.3611   5.5619  647.878  151.406  579.704  220.896 68.17395 267.8036 
1 1 1   17   14   23 o  498.045  145.964   4.1047   2.4233   0.9834   2.7141   16.373   5.3809  368.420  149.890  982.343  181.625 -613.9224 235.4880 
1 1 1   17   14   25 o  1167.67  122.527   22.149   4.4131   21.040   5.4799   24.197   7.4442  1123.56  160.306  1183.52  208.492 -59.95313 262.9961 
1 1 1   17   14   27 o  756.251  136.827   9.5420   3.1208   9.8912   3.5350   8.3083   6.6439  765.137  152.898  704.816  245.431 60.32062 289.1607 
1 1 1   17   14   29 o  862.711  250.334   13.798   7.1594   0.0000   0.0000   13.798   7.1594  ?   ?   862.711  250.334 0.000000 250.3342 
1 1 1   17   14   31 o  350.265  164.441  -3.8715   4.5797  -4.0638   7.2851  -3.7459   5.8889  455.853  211.822  409.001  190.182 46.85257 284.6720 
1 1 1   17   14   33 o  1162.60  129.741   22.863   4.6425   22.863   4.6425   0.0000   0.0000  1162.60  129.741  ?   ?  0.000000 129.7413 
1 1 1   17   14   35 o  283.226  124.349  -0.1823   2.1213   1.1130   2.3304  -6.4457   5.1243  339.786  138.639  329.078  159.607 10.70801 211.4126 
1 1 1   17   14   37 o  640.062  159.067   7.7983   3.1741   8.9292   3.7104   4.7125   6.1291  674.260  174.422  525.035  220.454 149.2242 281.1106 
1 1 1   17   14   39 o  570.570  171.718   6.6656   3.3188   7.2960   3.7047   4.1040   7.4680  588.331  182.290  505.510  226.927 82.82095 291.0761 
1 1 1   17   14   41 o  351.711  149.489   1.3910   2.8745   2.1515   3.0066  -6.7005   9.8076  379.165  156.406  411.063  203.586 -31.89801 256.7294 
1 1 1   17   14   43 o  651.873  186.154   10.163   3.9882   11.633   4.2791   0.4406   11.004  693.963  190.932  440.354  217.651 253.6084 289.5291 
1 1 1   17   15    0 o  794.180  131.950   10.336   3.1661   10.336   3.1661   0.0000   0.0000  794.180  131.950  ?   ?  0.000000 131.9500 
1 1 1   17   15    2 o  2089.50  117.642   69.729   7.6657   72.499   10.830   66.948   10.852  2110.90  165.166  2024.37  172.855 86.53333 239.0788 
1 1 1   17   15    4 o  1284.73   90.516   26.227   3.6180   26.106   4.3739   26.489   6.4386  1277.18  110.456  1269.75  165.907 7.433350 199.3131 
1 1 1   17   15    6 o  1226.04   94.889   23.930   3.6144   25.510   4.3737   20.526   6.4192  1262.16  111.824  1106.43  192.262 155.7242 222.4166 
1 1 1   17   15    8 o  1371.17   95.582   29.895   4.0781   31.327   4.9076   26.700   7.3305  1399.60  112.945  1266.51  190.765 133.0898 221.6929 
1 1 1   17   15   10 o  586.800  155.315   5.7373   2.8984   9.3399   3.5213  -1.8309   5.1038  749.035  155.235  421.539  188.529 327.4969 244.2151 
1 1 1   17   15   12 o  974.414  157.265   15.635   4.6350   15.635   4.6350   0.0000   0.0000  974.414  157.265  ?   ?  0.000000 157.2652 
1 1 1   17   15   14 o  610.932  149.668   6.2263   2.8406   9.2330   3.4591  -0.0001   4.9777  745.048  153.383  453.264  194.778 291.7844 247.9207 
1 1 1   17   15   16 o  835.233  110.341   11.265   2.8151   9.9592   3.2139   15.569   5.8349  778.119  136.907  958.070  200.916 -179.9514 243.1272 
1 1 1   17   15   18 o  1187.32  153.720   23.085   5.5808   23.085   5.5808   0.0000   0.0000  1187.32  153.720  ?   ?  0.000000 153.7203 
1 1 1   17   15   20 o  1560.07  117.079   39.042   5.6776   39.042   5.6776   0.0000   0.0000  1560.07  117.079  ?   ?  0.000000 117.0792 
1 1 1   17   15   22 o  514.547  159.882   4.3085   2.8476   2.7541   3.3226   8.6087   5.5265  460.623  171.772  713.020  222.928 -252.3974 281.4294 
1 1 1   17   15   24 o  1029.36  160.941   17.642   5.0176   17.642   5.0176   0.0000   0.0000  1029.36  160.941  ?   ?  0.000000 160.9408 
1 1 1   17   15   26 o  413.187  154.786   2.1772   2.7040  -0.8060   3.0234   14.101   6.0444  331.944  146.977  895.294  217.712 -563.3497 262.6796 
1 1 1   17   15   28 o  610.482  162.167   6.3802   3.1524   6.1933   3.5850   7.0177   6.6203  602.099  177.844  665.347  243.469 -63.24768 301.5051 
1 1 1   17   15   30 o  925.217  148.747   14.517   4.1633   18.648   4.8592   3.1125   8.0735  1049.07  152.384  594.035  251.408 455.0332 293.9841 
1 1 1   17   15   32 o  374.820  180.683  -7.5085   6.3272   0.0000   0.0000  -7.5085   6.3272  ?   ?   374.820  180.683 0.000000 180.6832 
1 1 1   17   15   36 o  681.174  156.601   8.6177   3.2703   9.4721   3.7946   6.1508   6.4479  702.927  173.461  571.633  231.592 131.2936 289.3501 
1 1 1   17   15   38 o  721.638  152.835   9.8334   3.3460   9.9089   3.6801   9.4728   8.0370  711.780  167.848  618.934  255.554 92.84540 305.7464 
1 1 1   17   15   40 o  503.949  239.046   2.7299   10.146   0.0000   0.0000   2.7299   10.146  ?   ?   503.949  239.046 0.000000 239.0456 
1 1 1   17   15   42 o  353.440  150.148   1.5310   2.8973  -0.9430   3.0133   31.821   10.544  296.066  137.105  898.903  309.399 -602.8374 338.4159 
1 1 1   17   16    1 o  694.539  160.120   8.0560   3.4109   8.8845   4.9451   7.3040   4.7110  726.803  207.196  666.298  205.415 60.50494 291.7631 
1 1 1   17   16    3 o  210.242   99.365  -1.9815   1.7230  -2.6142   1.8998   0.9510   4.0900  211.449  101.174  437.962  181.687 -226.5132 207.9576 
1 1 1   17   16    5 o  1287.60  115.804   26.516   4.6190   29.535   6.1031   22.468   7.0670  1351.31  146.589  1159.19  202.044 192.1235 249.6198 
1 1 1   17   16    7 o  1033.26  124.959   17.210   3.9608   17.210   3.9608   0.0000   0.0000  1033.26  124.959  ?   ?  0.000000 124.9589 
1 1 1   17   16    9 o  1414.13  117.892   31.950   5.1727   31.950   5.1727   0.0000   0.0000  1414.13  117.892  ?   ?  0.000000 117.8921 
1 1 1   17   16   11 f  1103.25  100.097   19.400   3.4203   19.556   4.0247   18.994   6.4890  1103.90  118.278  1064.15  202.134 39.75269 234.1960 
1 1 1   17   16   13 o  1178.26  103.660   22.140   3.7855   24.015   4.4247   17.020   7.3119  1224.58  116.808  995.362  237.850 229.2190 264.9842 
1 1 1   17   16   15 o  298.863  125.137   0.2675   1.9660   0.0296   2.1622   1.4028   4.7232  303.753  129.389  476.764  196.277 -173.0114 235.0877 
1 1 1   17   16   17 o  874.531  114.000   12.351   3.0475   9.5844   3.4752   21.563   6.3408  759.698  151.405  1138.36  184.179 -378.6600 238.4232 
1 1 1   17   16   19 o  839.970  137.846   11.583   3.4998   14.105   4.1824   5.6944   6.3918  925.509  149.409  641.238  238.419 284.2713 281.3656 
1 1 1   17   16   21 o  547.388  158.709   4.9600   2.8787   6.0286   3.2981   1.5413   5.8991  600.330  168.539  522.038  217.518 78.29163 275.1715 
1 1 1   17   16   23 f  935.646  122.531   14.224   3.5036   16.684   4.0630   7.0886   6.9191  1011.99  131.313  686.052  249.228 325.9411 281.7048 
1 1 1   17   16   25 f  616.235  178.791   6.4050   3.6522   6.4050   3.6522   0.0000   0.0000  616.235  178.791  ?   ?  0.000000 178.7906 
1 1 1   17   16   27 o  993.805  142.709   16.366   4.3135   21.050   5.1665   5.5884   7.8366  1126.20  150.257  655.888  258.770 470.3163 299.2304 
1 1 1   17   16   29 o  644.396  165.051   7.2149   3.3451   6.4479   3.7945   9.8897   7.0859  609.338  183.663  740.191  253.702 -130.8533 313.2040 
1 1 1   17   16   31 o  430.556  159.564   2.6740   2.8584   2.8554   3.1119   1.6952   7.2298  445.388  166.207  536.603  232.663 -91.21503 285.9316 
1 1 1   17   16   33 o  543.378  235.654   2.6676   7.4202   0.0000   0.0000   2.6676   7.4202  ?   ?   543.378  235.654 0.000000 235.6537 
1 1 1   17   16   35 o  601.901  252.190   6.3829   7.9930   0.0000   0.0000   6.3829   7.9930  ?   ?   601.901  252.190 0.000000 252.1903 
1 1 1   17   16   37 o  393.255  185.139  -2.8326   5.8758   15.866   9.4944 -14.4398   7.4804  758.519  288.711  340.428  170.084 418.0903 335.0860 
1 1 1   17   16   39 o  345.199  143.401   1.2428   2.5529   1.1912   2.6434   1.9577   9.8396  346.987  145.180  512.078  240.609 -165.0908 281.0153 
1 1 1   17   16   41 o  729.959  275.114   17.701   8.5675   8.3738   12.377   26.282   11.872  550.965  262.126  777.011  314.437 -226.0465 409.3666 
1 1 1   17   17    0 o  677.452  171.935   7.6517   3.6534   1.9013   5.1134   13.648   5.2216  507.073  205.957  903.409  190.582 -396.3355 280.6061 
1 1 1   17   17    2 o  437.763  158.039   2.5845   2.7759   2.5466   3.4089   2.6591   4.7823  460.400  173.535  515.494  202.539 -55.09360 266.7138 
1 1 1   17   17    4 o  1772.97  116.887   50.000   6.4527   50.000   6.4527   0.0000   0.0000  1772.97  116.887  ?   ?  0.000000 116.8866 
1 1 1   17   17    6 o  1227.35   98.006   23.927   3.7351   23.215   4.4391   25.653   6.9118  1204.68  119.248  1250.52  181.842 -45.84375 217.4548 
1 1 1   17   17    8 o  502.007  144.337   4.1099   2.3899   4.0114   2.6890   4.4799   5.2140  501.373  155.298  582.998  215.616 -81.62485 265.7211 
1 1 1   17   17   10 o  1471.01  100.876   34.342   4.6184   34.794   5.5079   33.270   8.4757  1476.58  120.169  1421.78  195.559 54.79907 229.5294 
1 1 1   17   17   12 o  1210.84  103.132   23.345   3.8729   23.792   4.5531   22.176   7.3658  1218.69  120.912  1149.93  212.391 68.76233 244.3960 
1 1 1   17   17   14 o  1110.64  107.727   19.712   3.6993   20.274   4.3170   18.157   7.1767  1122.68  124.920  1032.14  228.130 90.54578 260.0927 
1 1 1   17   17   16 o  656.799  156.249   7.1967   3.1667   9.4098   3.7083   1.2364   6.0857  751.151  162.395  525.623  220.133 225.5280 273.5518 
1 1 1   17   17   18 o  893.282  136.372   13.026   3.6935   13.022   4.4344   13.036   6.6745  885.126  166.097  870.406  238.039 14.72064 290.2599 
1 1 1   17   17   20 o  414.652  147.701   2.4018   2.4164   1.5963   2.6192   7.0076   6.2632  388.680  150.683  676.937  238.148 -288.2573 281.8152 
1 1 1   17   17   22 o  874.310  138.253   12.539   3.6591   11.844   4.2297   14.605   7.2944  841.385  166.440  914.111  248.375 -72.72528 298.9859 
1 1 1   17   17   24 o  1237.40  128.270   24.801   4.8978   28.135   5.9873   18.057   8.5151  1311.69  148.385  1003.84  266.460 307.8495 304.9899 
1 1 1   17   17   26 o  415.937  162.459   1.8711   3.0620   1.8711   3.0620   0.0000   0.0000  415.937  162.459  ?   ?  0.000000 162.4588 
1 1 1   17   17   28 o  579.619  161.185   5.7684   3.0316   3.0638   3.3489   18.043   7.1344  466.959  172.783  993.057  233.385 -526.0975 290.3834 
1 1 1   17   17   30 o  414.816  156.849   2.3033   2.7905   4.7036   3.0107 -12.3316   7.4341  524.266  164.642  375.926  184.450 148.3402 247.2427 
1 1 1   17   17   32 o  342.747  143.194   0.7178   2.5662   1.2259   2.7228  -3.3236   7.6786  367.872  149.951  467.196  217.218 -99.32355 263.9488 
1 1 1   17   17   34 o  469.557  163.395   3.7418   2.9445   5.0302   3.1617  -4.6802   8.0836  528.084  169.054  452.853  214.388 75.23004 273.0230 
1 1 1   17   17   36 o  545.805  233.905   4.3065   7.1434   0.6920   11.066   6.8883   9.3530  554.073  258.662  613.287  265.271 -59.21442 370.5064 
1 1 1   17   17   38 o  405.401  201.658 -13.9941   10.039 -13.9941   10.039   0.0000   0.0000  405.401  201.658  ?   ?  0.000000 201.6585 
1 1 1   17   17   40 o  489.866  236.440  -0.9321   10.920  -0.9321   10.920   0.0000   0.0000  489.866  236.440  ?   ?  0.000000 236.4403 
1 1 1   17   18    1 o  448.877  190.750   0.2364   4.6787   0.2364   4.6787   0.0000   0.0000  448.877  190.750  ?   ?  0.000000 190.7496 
1 1 1   17   18    3 o  403.874  180.827  -1.9185   4.7091   0.0000   0.0000  -1.9185   4.7091  ?   ?   403.874  180.827 0.000000 180.8270 
1 1 1   17   18    5 o  436.635  165.598   2.2036   3.1165   3.4434   3.7931  -0.3723   5.4673  507.485  184.505  470.145  203.086 37.34024 274.3830 
1 1 1   17   18    7 o  479.891  169.149   3.2588   3.1611   3.0371   3.8439   3.7219   5.5560  494.579  184.693  572.291  220.130 -77.71201 287.3477 
1 1 1   17   18    9 o  1488.97  104.261   35.184   4.8303   40.725   5.7382   21.708   8.9481  1600.19  115.294  1126.48  259.085 473.7046 283.5800 
1 1 1   17   18   11 o  248.085  113.856  -1.4475   2.0125  -0.4717   2.1626  -7.7545   5.4981  287.778  125.969  354.707  170.352 -66.92908 211.8672 
1 1 1   17   18   13 o  559.590  161.818   5.1296   2.9962   7.6321   3.4519  -2.5147   6.0331  676.851  164.487  453.024  203.619 223.8270 261.7568 
1 1 1   17   18   15 o  726.136  150.264   8.7276   3.3039   8.1170   3.8748   10.354   6.3242  696.582  177.220  786.685  237.107 -90.10254 296.0181 
1 1 1   17   18   17 o  817.050  143.687   10.961   3.5419   11.144   4.1823   10.498   6.6603  818.013  168.877  792.333  244.240 25.68036 296.9382 
1 1 1   17   18   19 f  509.868  161.080   4.1399   2.8777   6.0255   3.2407  -2.8911   6.2579  602.222  166.352  454.854  205.632 147.3682 264.4951 
1 1 1   17   18   21 o  634.214  150.441   6.7148   2.9424   7.6074   3.2752   2.9795   6.6999  674.271  157.904  583.368  236.168 90.90295 284.0937 
1 1 1   17   18   23 o  816.104  136.602   10.962   3.3674   12.747   3.8065   4.5390   7.2220  879.563  143.132  629.981  248.457 249.5819 286.7364 
1 1 1   17   18   25 o  883.692  127.564   12.810   3.4276   13.233   3.8286   11.102   7.6929  893.980  141.480  798.051  264.286 95.92908 299.7729 
1 1 1   17   18   27 o  299.660  130.499  -0.2706   2.2945  -0.2706   2.2945   0.0000   0.0000  299.660  130.499  ?   ?  0.000000 130.4985 
1 1 1   17   18   29 o  655.209  165.557   7.5186   3.3979   9.9704   3.7466  -3.8472   8.0665  757.013  162.886  485.878  224.765 271.1355 277.5808 
1 1 1   17   18   31 o  295.127  132.596  -0.9031   2.5554   0.3299   2.6925 -12.0925   8.1110  338.405  144.275  397.871  194.685 -59.46646 242.3168 
1 1 1   17   18   33 f  522.486  172.922   4.7965   3.2936   4.7965   3.2936   0.0000   0.0000  522.486  172.922  ?   ?  0.000000 172.9221 
1 1 1   17   18   35 o  427.116  163.586   2.6764   3.0601   2.6764   3.0601   0.0000   0.0000  427.116  163.586  ?   ?  0.000000 163.5858 
1 1 1   17   18   37 o  643.747  175.304   8.0031   3.6290   8.0031   3.6290   0.0000   0.0000  643.747  175.304  ?   ?  0.000000 175.3041 
1 1 1   17   18   39 o  523.716  238.568   3.3175   8.6215   17.585   12.340 -10.2888   12.051  718.678  307.694  459.027  227.042 259.6512 382.3921 
1 1 1   17   19    0 o  817.320  175.292   11.065   4.3516   9.9085   6.0970   12.265   6.2127  776.100  232.561  855.279  227.877 -79.17908 325.5958 
1 1 1   17   19    2 o  479.270  184.054   2.5238   3.8802   2.1327   5.4060   2.9394   5.5727  526.360  212.474  553.164  218.222 -26.80322 304.5752 
1 1 1   17   19    4 o  913.357  160.885   13.667   4.4331   15.672   6.3238   11.729   6.2164  967.280  214.421  836.836  230.084 130.4446 314.5071 
1 1 1   17   19    6 o  935.393  237.500   14.784   6.9689   0.0000   0.0000   14.784   6.9689  ?   ?   935.393  237.500 0.000000 237.5000 
1 1 1   17   19    8 o  512.776  173.553   3.9348   3.3156   11.744   4.1191 -10.4369   5.5878  844.544  161.650  331.243  161.978 513.3004 228.8402 
1 1 1   17   19   10 o  830.041  153.343   11.313   3.8387   15.957   4.6129   0.8556   6.9224  989.528  153.876  552.029  233.167 437.4989 279.3648 
1 1 1   17   19   12 o  823.009  146.329   11.093   3.6328   11.599   4.2825   9.7962   6.8602  836.894  169.239  776.830  249.056 60.06335 301.1156 
1 1 1   17   19   14 o  506.848  154.071   4.1280   2.6620   5.6116   2.9426  -2.5548   6.2453  582.876  157.495  462.053  207.463 120.8224 260.4719 
1 1 1   17   19   16 o  363.065  142.740   1.2347   2.3767   2.3067   2.5748  -4.9387   6.1789  417.890  152.000  422.140  195.785 -4.250061 247.8626 
1 1 1   17   19   18 o  958.334  125.469   14.832   3.6746   15.732   4.2293   12.058   7.4225  983.599  141.383  845.458  257.335 138.1418 293.6158 
1 1 1   17   19   20 o  831.437  144.011   11.364   3.6134   8.6293   4.2017   19.129   7.0808  715.804  185.829  1060.06  220.504 -344.2581 288.3647 
1 1 1   17   19   22 o  613.747  157.063   6.3178   3.0310   7.3103   3.3634   2.0281   6.9923  659.087  163.710  569.466  237.008 89.62115 288.0523 
1 1 1   17   19   24 o  589.396  169.524   5.8492   3.2963   6.9856   3.6537   0.8785   7.6415  640.811  176.477  561.614  241.334 79.19714 298.9759 
1 1 1   17   19   26 o  956.314  147.982   15.286   4.2881   15.286   4.2881   0.0000   0.0000  956.314  147.982  ?   ?  0.000000 147.9815 
1 1 1   17   19   28 o  416.780  156.733   2.2997   2.7777   2.2997   2.7777   0.0000   0.0000  416.780  156.733  ?   ?  0.000000 156.7330 
1 1 1   17   19   30 o  531.599  169.226   4.8396   3.1715   4.8396   3.1715   0.0000   0.0000  531.599  169.226  ?   ?  0.000000 169.2257 
1 1 1   17   19   32 o  827.401  185.633   12.490   4.6910   12.490   4.6910   0.0000   0.0000  827.401  185.633  ?   ?  0.000000 185.6327 
1 1 1   17   19   34 o  569.940  172.853   5.9207   3.3533   5.4167   3.5464   10.174   10.303  548.148  179.342  708.763  290.614 -160.6154 341.4972 
1 1 1   17   19   36 f  305.755  137.729  -0.7976   2.7781  -0.1172   2.8698 -10.9372   11.078  328.223  144.355  465.400  227.683 -137.1769 269.5888 
1 1 1   17   19   38 o  449.376  213.681  -3.4927   8.2036  -2.5553   11.644  -4.4168   11.560  520.266  249.342  504.344  243.391 15.92169 348.4403 
1 1 1   17   20    1 o  452.402  201.097  -1.9035   5.7139   0.0000   0.0000  -1.9035   5.7139  ?   ?   452.402  201.097 0.000000 201.0969 
1 1 1   17   20    3 o  580.303  230.621   3.0705   6.2666   0.0000   0.0000   3.0705   6.2666  ?   ?   580.303  230.621 0.000000 230.6214 
1 1 1   17   20    5 o  598.451  233.789   3.7148   6.3421   0.0000   0.0000   3.7148   6.3421  ?   ?   598.451  233.789 0.000000 233.7893 
1 1 1   17   20    9 o  370.574  168.401  -2.4716   4.2631  -0.2802   5.9503  -4.7829   6.1108  493.096  212.436  423.011  195.664 70.08496 288.8138 
1 1 1   17   20   11 o  396.793  176.484  -1.5247   4.4072  -5.7006   6.2497   2.6061   6.2158  416.226  194.335  566.326  228.104 -150.1006 299.6621 
1 1 1   17   20   13 o  726.111  147.335   8.6792   3.2353   6.9460   3.6671   14.768   6.8729  648.003  176.119  934.556  235.081 -286.5527 293.7363 
1 1 1   17   20   15 o  999.996  119.742   16.053   3.6748   15.883   4.2088   16.598   7.5385  990.280  139.605  987.543  244.972 2.737000 281.9588 
1 1 1   17   20   17 o  642.826  148.481   6.8527   2.9285   3.1881   3.2317   23.678   6.9246  478.560  170.773  1197.01  191.182 -718.4509 256.3476 
1 1 1   17   20   19 o  480.458  166.005   3.4021   3.0367   3.4021   3.0367   0.0000   0.0000  480.458  166.005  ?   ?  0.000000 166.0052 
1 1 1   17   20   21 o  1299.39  159.617   27.674   6.3578   27.674   6.3578   0.0000   0.0000  1299.39  159.617  ?   ?  0.000000 159.6169 
1 1 1   17   20   23 o  627.833  174.559   6.6775   3.5559   6.6775   3.5559   0.0000   0.0000  627.833  174.559  ?   ?  0.000000 174.5594 
1 1 1   17   20   25 o  799.445  166.877   10.905   4.0424   10.905   4.0424   0.0000   0.0000  799.445  166.877  ?   ?  0.000000 166.8774 
1 1 1   17   20   27 o  747.419  148.010   9.4846   3.3414   8.7240   3.6754   13.109   8.0226  709.685  167.999  836.794  269.441 -127.1091 317.5252 
1 1 1   17   20   29 o  1033.78  136.807   17.877   4.3197   17.161   4.8156   20.826   9.7733  1001.83  158.808  1014.66  291.924 -12.83173 332.3242 
1 1 1   17   20   31 o  830.844  145.681   11.847   3.6518   12.548   3.9654   7.9318   9.3701  851.240  154.458  693.803  279.847 157.4366 319.6432 
1 1 1   17   20   33 o  571.046  167.533   5.8339   3.1909   7.9787   3.3332 -17.6780   11.036  668.182  161.176  439.518  217.372 228.6643 270.6076 
1 1 1   17   20   35 o  335.771  146.541  -0.0027   2.9073   1.1386   3.0052 -16.6785   11.487  374.220  155.532  447.222  221.286 -73.00226 270.4766 
1 1 1   17   20   37 o  751.209  289.272   14.145   9.6024   17.807   13.600   10.505   13.560  778.996  327.805  685.071  306.780 93.92487 448.9655 
1 1 1   17   21    0 o  958.320  251.773   15.430   7.6531   0.0000   0.0000   15.430   7.6531  ?   ?   958.320  251.773 0.000000 251.7733 
1 1 1   17   21    2 o  743.404  205.684   9.1332   4.9497   0.4199   6.7692   19.145   7.2559  540.644  229.586  1071.87  223.430 -531.2265 320.3605 
1 1 1   17   21    4 o  683.269  215.407   7.4388   5.1483   7.5212   7.4060   7.3617   7.1618  725.750  258.571  716.525  254.380 9.224548 362.7237 
1 1 1   17   21    6 o  458.710  195.372   0.1152   4.9285  -0.8636   7.3367   0.9202   6.6533  537.758  233.771  546.232  229.538 -8.473694 327.6231 
1 1 1   17   21    8 o  480.783  215.270  -2.6682   6.6746   0.0000   0.0000  -2.6682   6.6746  ?   ?   480.783  215.270 0.000000 215.2703 
1 1 1   17   21   10 o  959.143  194.849   15.252   5.6523   11.129   8.2265   18.938   7.7792  834.801  273.147  1060.91  239.812 -226.1040 363.4825 
1 1 1   17   21   12 o  867.868  201.998   12.583   5.3864   9.0428   8.1932   15.278   7.1483  777.567  272.448  951.395  239.979 -173.8278 363.0676 
1 1 1   17   21   14 o  981.550  198.413   16.047   5.8885   12.734   8.6914   18.858   8.0059  879.295  280.166  1053.79  246.939 -174.4988 373.4591 
1 1 1   17   21   16 o  1073.02  144.985   18.666   4.7466   18.666   4.7466   0.0000   0.0000  1073.02  144.985  ?   ?  0.000000 144.9852 
1 1 1   17   21   18 f  1220.82  135.585   24.056   5.0954   24.056   5.0954   0.0000   0.0000  1220.82  135.585  ?   ?  0.000000 135.5846 
1 1 1   17   21   20 o  1264.92  139.014   25.951   5.4152   25.951   5.4152   0.0000   0.0000  1264.92  139.014  ?   ?  0.000000 139.0138 
1 1 1   17   21   22 o  1232.54  124.982   24.590   4.7568   16.649   5.5273   47.265   9.3402  991.512  184.833  1687.76  179.492 -696.2432 257.6444 
1 1 1   17   21   24 o  1014.89  169.677   17.365   5.2017   17.365   5.2017   0.0000   0.0000  1014.89  169.677  ?   ?  0.000000 169.6766 
1 1 1   17   21   26 o  625.155  169.736   6.7218   3.4081   9.0066   3.7262  -4.9710   8.4295  723.395  167.762  493.396  228.779 229.9998 283.6971 
1 1 1   17   21   28 o  512.576  172.084   4.2718   3.2594   6.0559   3.5185  -6.5220   8.6543  592.306  176.484  477.865  224.886 114.4407 285.8679 
1 1 1   17   21   30 o  653.275  165.451   7.4881   3.3880   7.7332   3.6211   5.7657   9.5989  661.757  172.860  667.453  277.734 -5.695984 327.1339 
1 1 1   17   21   32 o  797.192  155.830   11.081   3.7504   10.271   3.9567   18.242   11.769  759.755  170.505  901.583  325.424 -141.8281 367.3865 
1 1 1   17   21   34 o  303.831  133.935  -0.3631   2.4836  -0.7957   2.5392   9.2024   11.939  295.369  132.476  714.503  304.195 -419.1336 331.7903 
1 1 1   17   22    1 o  296.870  146.479 -10.7013   4.9090  -2.0552   6.8464 -19.8497   7.0425  499.236  221.105  324.110  162.387 175.1266 274.3297 
1 1 1   17   22    3 o  1230.66  181.673   24.604   6.7903   27.633   10.106   22.111   9.1677  1285.04  260.095  1146.87  261.139 138.1665 368.5691 
1 1 1   17   22    5 o  435.423  193.619  -1.8490   5.3014   8.4227   8.2107  -9.1929   6.9426  766.108  272.330  406.094  194.062 360.0140 334.4010 
1 1 1   17   22    7 o  753.940  258.850   8.5570   7.3777   0.0000   0.0000   8.5570   7.3777  ?   ?   753.940  258.850 0.000000 258.8503 
1 1 1   17   22    9 o  687.268  280.694   3.3976   9.5643   3.3976   9.5643   0.0000   0.0000  687.268  280.694  ?   ?  0.000000 280.6935 
1 1 1   17   22   11 o  710.341  274.283   5.8021   8.6514   5.8021   8.6514   0.0000   0.0000  710.341  274.283  ?   ?  0.000000 274.2827 
1 1 1   17   22   13 o  1330.68  269.827   30.134   10.858   30.134   10.858   0.0000   0.0000  1330.68  269.827  ?   ?  0.000000 269.8271 
1 1 1   17   22   15 o  760.225  280.410   8.1279   8.8067   8.1279   8.8067   0.0000   0.0000  760.225  280.410  ?   ?  0.000000 280.4098 
1 1 1   17   22   17 o  912.856  299.103   14.097   9.8630   14.097   9.8630   0.0000   0.0000  912.856  299.103  ?   ?  0.000000 299.1035 
1 1 1   17   22   19 o  784.781  244.515   10.432   6.6551   16.609   9.9365   5.4057   8.9623  968.845  298.267  693.803  275.777 275.0421 406.2220 
1 1 1   17   22   21 o  634.905  175.572   6.8027   3.6076   9.4667   3.9359  -7.1972   9.0229  747.695  171.731  497.567  232.705 250.1280 289.2115 
1 1 1   17   22   23 f  1171.01  140.192   22.464   5.0383   23.410   5.9039   19.927   9.6651  1186.81  163.187  1038.89  287.410 147.9126 330.5066 
1 1 1   17   22   25 o  441.310  162.627   2.6539   2.9612   2.5575   3.1328   3.4624   9.0720  443.580  166.520  641.280  268.681 -197.6992 316.0988 
1 1 1   17   22   27 o  570.627  169.917   5.5395   3.2623   6.0426   3.4639   1.5914   9.7043  593.964  174.638  618.291  268.818 -24.32672 320.5644 
1 1 1   17   22   29 o  275.437  129.354  -2.7092   2.8379  -2.7092   2.8379   0.0000   0.0000  275.437  129.354  ?   ?  0.000000 129.3540 
1 1 1   17   22   31 o  397.348  156.878   1.7402   2.8821   1.6387   2.9717   3.3466   11.825  397.447  158.542  665.216  292.789 -267.7692 332.9579 
1 1 1   17   22   33 o  405.701  160.573   1.8896   3.0265   3.4831   3.1179 -24.0967   12.591  469.530  167.720  447.125  222.962 22.40494 279.0020 
1 1 1   17   23    0 o  1726.00  169.639   47.711   9.0498   56.379   13.685   40.974   12.064  1858.14  240.873  1576.11  253.015 282.0305 349.3370 
1 1 1   17   23    2 o  1989.32  235.146   64.429   14.364   64.429   14.364   0.0000   0.0000  1989.32  235.146  ?   ?  0.000000 235.1458 
1 1 1   17   23    4 o  1747.11  248.855   50.178   13.229   50.178   13.229   0.0000   0.0000  1747.11  248.855  ?   ?  0.000000 248.8548 
1 1 1   17   23    6 o  1116.27  305.180   21.169   10.973   21.169   10.973   0.0000   0.0000  1116.27  305.180  ?   ?  0.000000 305.1801 
1 1 1   17   23    8 o  1028.71  297.745   17.873   10.140   17.873   10.140   0.0000   0.0000  1028.71  297.745  ?   ?  0.000000 297.7451 
1 1 1   17   23   10 f  631.945  231.529   5.3462   5.9895  -6.8588   9.2867   14.039   7.8374  522.727  241.584  913.883  260.954 -391.1558 355.6116 
1 1 1   17   23   12 o  703.248  234.452   7.7328   6.0504   7.4720   9.2278   7.9295   8.0133  756.768  285.448  743.460  268.499 13.30756 391.8824 
1 1 1   17   23   14 o  1076.57  213.643   19.474   6.9477   26.188   10.830   14.779   9.0571  1226.92  287.008  931.955  284.395 294.9688 404.0469 
1 1 1   17   23   16 o  353.558  170.053  -7.8908   5.5274 -17.0492   8.4976  -1.1739   7.2773  395.027  194.490  523.755  230.125 -128.7273 301.3038 
1 1 1   17   23   18 o  706.525  241.316   7.9178   6.4107  -2.1109   10.072   14.748   8.3120  599.263  266.653  919.728  270.556 -320.4649 379.8743 
1 1 1   17   23   20 f  656.277  264.520   4.3911   8.3652   0.0000   0.0000   4.3911   8.3652  ?   ?   656.277  264.520 0.000000 264.5197 
1 1 1   17   23   22 o  526.461  221.661   1.3354   6.2241   10.148   9.1376  -6.2925   8.5012  792.789  286.653  488.788  227.690 304.0013 366.0774 
1 1 1   17   23   24 o  516.403  183.743   3.9538   3.7386   2.0181   4.1229   12.909   8.8679  464.212  186.196  852.005  283.830 -387.7933 339.4532 
1 1 1   17   23   26 o  562.722  174.319   5.2953   3.3880   5.4054   3.6221   4.5250   9.5790  569.901  180.788  670.388  278.074 -100.4861 331.6766 
1 1 1   17   23   28 o  475.273  168.443   3.4047   3.1389   3.5300   3.2781   2.0231   10.887  483.990  172.072  650.481  283.743 -166.4911 331.8420 
1 1 1   17   23   30 o  434.608  170.501   2.1791   3.3842   2.1791   3.3842   0.0000   0.0000  434.608  170.501  ?   ?  0.000000 170.5006 
1 1 1   17   24    3 o  1114.53  312.854   21.074   11.365   21.074   11.365   0.0000   0.0000  1114.53  312.854  ?   ?  0.000000 312.8541 
1 1 1   17   24    5 o  520.635  220.419   0.4904   6.2092  -9.1388   10.007   6.5184   7.9177  524.289  245.161  711.388  265.186 -187.0991 361.1469 
1 1 1   17   24    7 o  574.948  230.768   2.7474   6.3376   6.5544   10.482   0.5540   7.9566  769.279  300.552  584.603  248.597 184.6759 390.0408 
1 1 1   17   24    9 o  404.467  189.158  -5.6086   5.9610   0.8512   9.2534 -10.1910   7.7936  630.296  268.060  429.298  205.279 200.9976 337.6328 
1 1 1   17   24   11 o  712.008  240.479   7.8614   6.3656   5.1878   9.7308   9.8614   8.4162  720.245  287.020  799.177  276.349 -78.93182 398.4339 
1 1 1   17   24   13 o  468.093  209.611  -2.3833   6.3302  -7.2071   9.2933   1.7920   8.6460  515.566  239.461  624.278  261.965 -108.7111 354.9189 
1 1 1   17   24   15 o  587.490  234.148   3.3193   6.4768   1.7903   10.341   4.3063   8.3081  669.968  284.094  661.377  264.656 8.591248 388.2683 
1 1 1   17   24   17 o  433.722  208.935 -11.8504   8.4251   0.0000   0.0000 -11.8504   8.4251  ?   ?   433.722  208.935 0.000000 208.9351 
1 1 1   17   24   19 o  555.512  231.618   1.7542   6.6951   2.0550   10.277   1.5324   8.8248  665.648  282.780  617.189  262.116 48.45929 385.5767 
1 1 1   17   24   21 o  811.362  247.274   11.367   6.8503   22.402   10.123   2.0452   9.3042  1113.07  288.185  635.905  269.552 477.1632 394.5991 
1 1 1   17   24   23 o  573.776  238.618   2.2981   7.0798   3.1462   9.9404   1.4249   10.086  666.312  280.314  642.100  276.603 24.21173 393.8084 
1 1 1   17   24   25 o  398.969  193.597 -11.4218   7.5635 -10.3186   10.696 -12.5253   10.697  514.933  244.600  495.707  237.947 19.22647 341.2444 
1 1 1   17   24   27 o  704.297  181.822   8.5903   4.0372   6.0022   4.3027   27.644   11.674  601.295  197.581  1195.11  309.508 -593.8201 367.1969 
1 1 1   17   24   29 o  988.172  154.800   16.471   4.6325   15.771   4.9689   21.122   12.809  958.909  171.797  1012.23  341.134 -53.32336 381.9510 
1 1 1   17   25    0 f  1042.12  226.477   18.121   7.1792   14.032   11.003   21.151   9.4733  941.964  316.180  1118.19  272.951 -176.2208 417.6983 
1 1 1   17   25    2 o  450.156  204.854  -3.7061   6.3367   4.3120   10.066  -8.9692   8.1555  718.193  289.926  457.766  216.298 260.4268 361.7203 
1 1 1   17   25    4 f  947.879  244.939   15.120   7.3221   33.196   11.800   3.8028   9.3370  1401.30  278.743  688.150  278.726 713.1468 394.1901 
1 1 1   17   25    6 o  736.908  251.545   8.2822   6.9657  -0.1756   11.500   13.183   8.7544  681.672  294.499  895.044  280.696 -213.3720 406.8418 
1 1 1   17   25    8 o  589.804  236.159   3.0377   6.6197  -3.3790   11.141   6.5389   8.2298  626.112  279.391  715.667  269.656 -89.55566 388.2959 
1 1 1   17   25   10 o  1040.66  313.251   18.570   11.043   18.570   11.043   0.0000   0.0000  1040.66  313.251  ?   ?  0.000000 313.2515 
1 1 1   17   25   12 o  656.593  244.561   5.6827   6.7313 -11.7178   10.264   18.814   8.9165  503.424  239.273  1045.31  270.382 -541.8849 361.0509 
1 1 1   17   25   14 o  488.682  229.731  -8.6062   8.9892   0.0000   0.0000  -8.6062   8.9892  ?   ?   488.682  229.731 0.000000 229.7314 
1 1 1   17   25   16 o  961.072  293.639   15.977   9.6514   0.0000   0.0000   15.977   9.6514  ?   ?   961.072  293.639 0.000000 293.6391 
1 1 1   17   25   18 o  390.478  187.262  -8.8166   6.5915 -20.3877   10.099  -0.2294   8.7000  427.075  210.609  586.251  254.708 -159.1753 330.5030 
1 1 1   17   25   20 o  564.157  236.188   1.6946   7.0023   16.508   10.479 -10.2561   9.4121  966.966  307.584  482.268  229.192 484.6978 383.5838 
1 1 1   17   25   22 o  763.402  305.733   6.9881   11.097   0.0000   0.0000   6.9881   11.097  ?   ?   763.402  305.733 0.000000 305.7330 
1 1 1   17   25   24 o  843.437  276.021   12.438   8.4004   11.338   12.185   13.435   11.597  852.844  326.482  888.485  322.674 -35.64185 459.0302 
1 1 1   17   25   26 o  959.757  347.813   17.019   13.464   0.0000   0.0000   17.019   13.464  ?   ?   959.757  347.813 0.000000 347.8130 
1 1 1   17   26    1 o  549.243  231.618   0.7822   6.8131   13.927   10.745  -8.0566   8.8108  934.735  312.448  492.659  230.263 442.0762 388.1303 
1 1 1   17   26    3 o  504.768  222.419  -1.6352   6.8421   2.7300   11.886  -3.7987   8.3677  736.834  308.031  529.613  238.756 207.2217 389.7274 
1 1 1   17   26    5 f  610.655  278.457  -6.4270   11.784  -6.4270   11.784   0.0000   0.0000  610.655  278.457  ?   ?  0.000000 278.4571 
1 1 1   17   26    7 o  410.314  195.028  -8.2222   6.8207  -7.9890   11.920  -8.3358   8.3169  596.862  275.091  469.694  220.859 127.1679 352.7804 
1 1 1   17   26    9 o  461.508  211.707  -4.5852   6.9472  -5.0801   11.248  -4.2799   8.8336  607.761  275.137  538.032  243.676 69.72931 367.5303 
1 1 1   17   26   11 o  567.527  240.606   0.7760   7.4151   18.518   11.175 -13.1814   9.9115  1039.08  315.635  478.980  229.686 560.1026 390.3601 
1 1 1   17   26   13 o  576.565  254.480  -1.8078   8.9937   0.0000   0.0000  -1.8078   8.9937  ?   ?   576.565  254.480 0.000000 254.4799 
1 1 1   17   26   15 o  1002.00  254.771   17.272   8.0113   24.525   12.782   12.579   10.282  1173.97  332.567  884.650  305.468 289.3174 451.5659 
1 1 1   17   26   17 o  898.930  315.838   13.017   11.014   0.0000   0.0000   13.017   11.014  ?   ?   898.930  315.838 0.000000 315.8381 
1 1 1   17   26   19 o  433.533  204.638  -7.4736   7.2658   0.6204   10.851 -14.0515   9.7824  662.173  286.074  462.790  223.476 199.3825 363.0148 
1 1 1   17   26   21 o  804.389  312.755   8.6918   11.309   0.0000   0.0000   8.6918   11.309  ?   ?   804.389  312.755 0.000000 312.7551 
1 1 1   17   26   23 o  448.949  223.536 -28.6328   12.460   0.0000   0.0000 -28.6328   12.460  ?   ?   448.949  223.536 0.000000 223.5364 
1 1 1   17   27    0 o  450.792  209.652  -6.1524   7.1613  -0.5693   11.912  -9.3122   8.9616  689.989  298.909  484.792  228.357 205.1974 376.1563 
1 1 1   17   27    2 o  1648.48  189.618   43.988   9.6094   43.686   14.713   44.213   12.690  1604.07  304.047  1631.27  256.944 -27.20410 398.0764 
1 1 1   17   27    4 o  518.885  251.103 -19.2251   12.511 -19.2251   12.511   0.0000   0.0000  518.885  251.103  ?   ?  0.000000 251.1027 
1 1 1   17   27    6 o  412.897  197.505  -9.5930   7.2277 -30.7021   12.830   0.2199   8.7478  458.916  228.230  604.872  259.020 -145.9558 345.2251 
1 1 1   17   27    8 f  1087.26  250.533   20.011   8.3540   15.136   13.930   22.749   10.440  992.198  354.501  1151.35  289.792 -159.1510 457.8759 
1 1 1   17   27   10 o  734.498  271.604   7.3044   8.2727   19.329   14.405   1.3867   10.105  1077.02  361.759  664.017  281.162 413.0005 458.1716 
1 1 1   17   27   12 o  916.981  339.887   12.145   12.970   12.145   12.970   0.0000   0.0000  916.981  339.887  ?   ?  0.000000 339.8871 
1 1 1   17   27   14 o  507.240  228.195  -3.1359   7.5976 -22.8780   12.219   9.3082   9.7009  482.006  236.494  804.785  294.687 -322.7783 377.8489 
1 1 1   17   27   16 o  748.584  304.417   5.0767   11.188   0.0000   0.0000   5.0767   11.188  ?   ?   748.584  304.417 0.000000 304.4174 
1 1 1   17   27   18 o  594.014  269.586  -4.7621   10.880   0.0000   0.0000  -4.7621   10.880  ?   ?   594.014  269.586 0.000000 269.5865 
1 1 1   17   27   20 o  934.385  336.000   14.176   12.533   0.0000   0.0000   14.176   12.533  ?   ?   934.385  336.000 0.000000 335.9998 
1 1 1   17   28    1 o  977.377  370.956   12.612   15.646   12.612   15.646   0.0000   0.0000  977.377  370.956  ?   ?  0.000000 370.9560 
1 1 1   17   28    3 o  945.261  282.360   14.871   8.9981   25.993   16.037   9.7610   10.871  1230.40  378.944  844.247  311.511 386.1516 490.5481 
1 1 1   17   28    5 o  857.433  287.543   11.545   9.1004   17.904   15.736   8.3489   11.155  1069.63  377.353  820.081  312.752 249.5448 490.1111 
1 1 1   17   28    7 o  428.579  208.370 -14.9691   8.8758   0.8224   16.122 -21.8369   10.632  812.235  349.804  440.936  217.181 371.2994 411.7411 
1 1 1   17   28   11 o  862.252  309.362   11.009   10.619   0.0000   0.0000   11.009   10.619  ?   ?   862.252  309.362 0.000000 309.3620 
1 1 1   17   28   13 o  593.304  270.091  -5.6821   11.027   0.0000   0.0000  -5.6821   11.027  ?   ?   593.304  270.091 0.000000 270.0907 
1 1 1   17   28   15 o  1030.37  337.200   17.957   12.537   0.0000   0.0000   17.957   12.537  ?   ?   1030.37  337.200 0.000000 337.2003 
1 1 1   17   28   17 o  682.184  299.255  -1.1210   12.263   0.0000   0.0000  -1.1210   12.263  ?   ?   682.184  299.255 0.000000 299.2554 
1 1 1   17   29    0 o  726.599  283.837   5.5905   9.3477   21.663   16.420  -2.1167   11.370  1151.99  386.236  654.681  287.650 497.3072 481.5813 
1 1 1   17   29    2 o  693.657  290.935   1.9179   10.655   0.0000   0.0000   1.9179   10.655  ?   ?   693.657  290.935 0.000000 290.9345 
1 1 1   17   29    4 o  793.275  305.733   7.3440   10.733   0.0000   0.0000   7.3440   10.733  ?   ?   793.275  305.733 0.000000 305.7327 
1 1 1   17   29    6 o  1057.26  320.066   18.783   11.505   0.0000   0.0000   18.783   11.505  ?   ?   1057.26  320.066 0.000000 320.0656 
1 1 1   17   29    8 o  650.895  283.349  -1.0269   10.809   0.0000   0.0000  -1.0269   10.809  ?   ?   650.895  283.349 0.000000 283.3491 
1 1 1   17   29   10 o  484.046  227.621  -8.8748   8.8361 -26.2796   13.908   2.9055   11.442  514.561  252.436  727.713  303.053 -213.1519 394.4173 
1 1 1   17   29   12 o  771.847  288.760   7.8629   9.4046   14.820   14.920   3.2765   12.114  998.132  365.462  748.949  311.857 249.1832 480.4344 
1 1 1   17   30    1 o  571.664  262.778  -7.3521   10.779   0.0000   0.0000  -7.3521   10.779  ?   ?   571.664  262.778 0.000000 262.7780 
1 1 1   17   30    3 o  548.761  256.933 -10.3501   11.052   0.0000   0.0000 -10.3501   11.052  ?   ?   548.761  256.933 0.000000 256.9327 
1 1 1   17   30    5 o  532.137  245.105  -6.7363   9.4425   15.572   16.305 -17.9936   11.582  1039.85  381.850  500.083  241.904 539.7714 452.0255 
1 1 1   18    0    0 o  231.634  130.634   1.1231   1.4469   1.1231   1.4469   1.1231   1.4469  231.634  130.634  231.634  130.634 -0.000000 0.000000 
1 1 1   18    0    2 o  3199.23  132.931  162.557   13.264  162.557   13.264  162.557   13.264  3199.23  132.931  3199.23  132.931 -0.000000 0.000000 
1 1 1   18    0    4 o  2442.47  116.303   94.767   8.8489   94.767   8.8489   94.767   8.8489  2442.47  116.303  2442.47  116.303 -0.000000 0.000000 
1 1 1   18    0    6 o  1222.72  147.241   24.715   5.4208   24.715   5.4208   24.715   5.4208  1222.72  147.241  1222.72  147.241 -0.000000 0.000000 
1 1 1   18    0    8 o  3369.62  138.313  181.125   14.538  181.125   14.538  181.125   14.538  3369.62  138.313  3369.62  138.313 -0.000000 0.000000 
1 1 1   18    0   10 o  820.902  173.521   12.053   3.9241   12.053   3.9241   12.053   3.9241  820.902  173.521  820.902  173.521 -0.000000 0.000000 
1 1 1   18    0   12 o  757.455  112.671   9.6411   2.4983   9.6411   2.4983   9.6411   2.4983  757.455  112.671  757.455  112.671 -0.000000 0.000000 
1 1 1   18    0   14 o  1078.60  101.903   18.852   3.3710   18.852   3.3710   18.852   3.3710  1078.60  101.903  1078.60  101.903 -0.000000 0.000000 
1 1 1   18    0   16 o  1799.28  105.841   51.718   5.9158   51.718   5.9158   51.718   5.9158  1799.28  105.841  1799.28  105.841 -0.000000 0.000000 
1 1 1   18    0   18 o  497.307  203.314   5.5644   3.1186   5.5644   3.1186   5.5644   3.1186  497.307  203.314  497.307  203.314 -0.000000 0.000000 
1 1 1   18    0   20 o  130.688   91.236  -1.3137   1.3650  -1.3137   1.3650  -1.3137   1.3650  130.688   91.236  130.688   91.236 -0.000000 0.000000 
1 1 1   18    0   22 o  380.794  164.120   3.3085   2.0106   3.3085   2.0106   3.3085   2.0106  380.794  164.120  380.794  164.120 -0.000000 0.000000 
1 1 1   18    0   24 o  307.359  177.361   1.9441   2.7546   1.9441   2.7546   1.9441   2.7546  307.359  177.361  307.359  177.361 -0.000000 0.000000 
1 1 1   18    0   26 o  110.402   79.480  -2.3855   1.3582  -2.3855   1.3582  -2.3855   1.3582  110.402   79.480  110.402   79.480 -0.000000 0.000000 
1 1 1   18    0   28 o  1189.51  108.101   22.912   3.9499   22.912   3.9499   22.912   3.9499  1189.51  108.101  1189.51  108.101 -0.000000 0.000000 
1 1 1   18    0   30 o  2365.17  117.926   89.302   8.6840   89.302   8.6840   89.302   8.6840  2365.17  117.926  2365.17  117.926 -0.000000 0.000000 
1 1 1   18    0   32 o  2767.87  181.951  125.014   15.613  125.014   15.613  125.014   15.613  2767.87  181.951  2767.87  181.951 -0.000000 0.000000 
1 1 1   18    0   34 o  2954.45  188.993  142.655   17.320  142.655   17.320  142.655   17.320  2954.45  188.993  2954.45  188.993 -0.000000 0.000000 
1 1 1   18    0   36 o  458.612  203.685   4.8914   3.0918   4.8914   3.0918   4.8914   3.0918  458.612  203.685  458.612  203.685 -0.000000 0.000000 
1 1 1   18    0   38 o  562.169  198.829   6.6908   3.1825   6.6908   3.1825   6.6908   3.1825  562.169  198.829  562.169  198.829 -0.000000 0.000000 
1 1 1   18    0   40 o  504.555  214.885   5.9391   3.4536   5.9391   3.4536   5.9391   3.4536  504.555  214.885  504.555  214.885 -0.000000 0.000000 
1 1 1   18    0   42 o  1349.73  199.477   32.113   7.8897   32.113   7.8897   32.113   7.8897  1349.73  199.477  1349.73  199.477 -0.000000 0.000000 
1 1 1   18    0   44 o  779.638  294.690   14.345   6.7435   14.345   6.7435   14.345   6.7435  779.638  294.690  779.638  294.690 -0.000000 0.000000 
1 1 1   18    0   46 o  257.800  170.705  -0.4722   3.6138  -0.4722   3.6138  -0.4722   3.6138  257.800  170.705  257.800  170.705 -0.000000 0.000000 
1 1 1   18    0   48 o  671.192  231.651   9.9411   4.3852   9.9411   4.3852   9.9411   4.3852  671.192  231.651  671.192  231.651 -0.000000 0.000000 
1 1 1   18    0   50 o  449.291  233.622   5.3906   4.2721   5.3906   4.2721   5.3906   4.2721  449.291  233.622  449.291  233.622 -0.000000 0.000000 
1 1 1   18    1    1 o  984.176   69.715   15.315   2.1345   16.248   3.0110   14.373   3.0263  1009.47   96.431  947.495  103.697 61.97473 141.6050 
1 1 1   18    1    3 o  1401.42   70.706   31.000   3.0927   29.899   4.3814   32.092   4.3661  1370.03  102.885  1420.58   98.770 -50.54761 142.6216 
1 1 1   18    1    5 o  939.022   81.187   14.023   2.3637   13.302   2.8892   15.484   4.1102  909.926  103.231  973.456  138.773 -63.52966 172.9581 
1 1 1   18    1    7 o  890.513   82.242   12.642   2.2673   11.992   3.9033   12.973   2.7855  849.159  152.399  898.253  100.771 -49.09412 182.7029 
1 1 1   18    1    9 o  827.914   71.815   10.902   1.8433   9.5972   2.5517   12.327   2.6657  768.204  109.149  874.919   99.047 -106.7150 147.3902 
1 1 1   18    1   11 o  1380.99   70.516   30.204   3.0391   29.290   4.2883   31.126   4.3077  1351.44  102.091  1394.26   99.319 -42.81409 142.4323 
1 1 1   18    1   13 o  1477.86   82.805   34.755   3.8164   36.131   6.6389   34.076   4.6642  1482.97  144.818  1456.94  102.900 26.02734 177.6537 
1 1 1   18    1   15 o  1077.57   71.006   18.454   2.3824   20.802   3.3784   16.131   3.3602  1137.73   95.723  996.748  109.464 140.9821 145.4137 
1 1 1   18    1   17 o  1253.85   71.864   25.005   2.8097   25.482   3.9650   24.524   3.9821  1256.10  101.681  1231.14  104.276 24.95972 145.6448 
1 1 1   18    1   19 o  1364.85   72.766   29.693   3.0986   29.220   4.3754   30.169   4.3887  1341.12  105.031  1363.50  103.567 -22.38696 147.5042 
1 1 1   18    1   21 o  1286.37   72.545   26.428   2.9101   25.409   4.1233   27.439   4.1078  1247.14  106.613  1298.63  101.837 -51.49097 147.4347 
1 1 1   18    1   23 o  1222.54   72.359   23.881   2.7576   25.541   3.9099   22.239   3.8899  1252.98  100.503  1165.35  107.824 87.62744 147.4002 
1 1 1   18    1   25 o  822.940   90.916   10.999   2.3036   11.321   2.8125   10.341   4.0153  827.902  111.314  765.172  171.796 62.73029 204.7064 
1 1 1   18    1   27 o  1077.44   87.659   18.734   2.9317   18.939   5.1056   18.633   3.5809  1048.45  160.638  1066.06  108.799 -17.60706 194.0153 
1 1 1   18    1   29 o  547.859  104.451   5.0235   1.7264   7.3129   2.3507   2.3424   2.5438  658.838  118.292  406.323  150.540 252.5149 191.4560 
1 1 1   18    1   31 o  402.195  131.867   2.6525   1.9170   3.9943   2.3795   0.1716   3.2357  480.850  145.558  360.196  155.912 120.6540 213.2973 
1 1 1   18    1   33 o  1019.49   96.425   17.069   3.0416   17.504   5.2979   16.855   3.7148  980.575  179.150  999.942  121.113 -19.36676 216.2475 
1 1 1   18    1   35 o  1276.99  113.495   27.325   4.4909   27.661   6.4117   27.002   6.2921  1237.20  170.001  1223.38  168.745 13.81909 239.5312 
1 1 1   18    1   37 o  1225.76   96.773   25.014   3.6841   25.250   6.3369   24.893   4.5279  1151.68  181.750  1202.26  121.966 -50.57568 218.8808 
1 1 1   18    1   39 o  1265.84   98.200   27.353   3.8618   28.067   4.8443   26.109   6.3967  1250.75  125.379  1123.60  188.490 127.1490 226.3809 
1 1 1   18    1   41 o  973.751  101.829   16.900   3.0589   13.606   4.3340   20.169   4.3179  775.908  181.602  1013.90  139.717 -237.9910 229.1292 
1 1 1   18    1   43 o  511.320  166.476   6.4490   3.0572   9.4393   5.8973   5.3500   3.5752  506.531  214.649  451.166  175.730 55.36417 277.4085 
1 1 1   18    1   45 o  620.842  193.548   11.980   4.1692   0.0000   0.0000   11.980   4.1692  ?   ?   620.842  193.548 0.000000 193.5481 
1 1 1   18    1   47 o  908.177  124.700   18.347   3.4525   11.652   5.0959   24.028   4.6940  477.043  200.697  946.472  164.348 -469.4294 259.4021 
1 1 1   18    1   49 o  249.862  122.790  -0.7786   3.3356   13.588   6.6546  -5.5991   3.8548  379.021  183.348  219.691  111.239 159.3306 214.4539 
1 1 1   18    2    0 o  2155.74   77.978   73.199   5.2636   73.801   7.4389   72.595   7.4489  2155.31  110.598  2137.25  111.695 18.05396 157.1865 
1 1 1   18    2    2 o  3264.48   94.699  168.482   9.6801  168.229   13.685  168.736   13.694  3245.97  134.646  3250.91  134.527 -4.941406 190.3343 
1 1 1   18    2    4 o  3417.06  113.087  185.689   12.100  183.911   14.823  189.240   20.947  3386.82  139.775  3390.60  198.163 -3.780518 242.4989 
1 1 1   18    2    6 o  2673.55   85.328  113.042   7.1432  108.629   10.097  117.463   10.107  2606.48  123.719  2712.52  118.993 -106.0378 171.6560 
1 1 1   18    2    8 o  3496.85  114.934  195.435   12.585  188.696   21.782  198.811   15.418  3353.40  208.478  3509.40  140.309 -156.0046 251.2961 
1 1 1   18    2   10 o  2972.14   89.935  140.251   8.3698  146.019   11.845  134.500   11.828  3012.82  125.560  2888.27  130.787 124.5542 181.3029 
1 1 1   18    2   12 o  1045.49  101.096   17.592   3.2682   18.920   4.6592   16.305   4.5857  1070.92  142.480  989.075  153.006 81.83984 209.0728 
1 1 1   18    2   14 o  250.443  100.837   0.4742   1.2142   0.9811   1.4923  -0.5189   2.0887  297.258  114.144  278.260  122.736 18.99783 167.6097 
1 1 1   18    2   16 o  1077.66   71.146   18.471   2.3872   18.553   3.3650   18.388   3.3873  1071.54  101.501  1066.32  102.719 5.219482 144.4078 
1 1 1   18    2   18 o  574.100  103.612   5.4575   1.7941   6.3926   2.1490   3.3073   3.2589  619.090  115.094  472.119  171.116 146.9709 206.2212 
1 1 1   18    2   20 o  1386.29   72.073   30.649   3.1178   27.396   4.3737   34.010   4.4455  1295.25  108.850  1449.22   98.550 -153.9795 146.8342 
1 1 1   18    2   22 o  983.042   73.041   15.473   2.2323   13.980   3.1782   16.926   3.1360  920.133  112.663  1019.07   99.548 -98.93768 150.3426 
1 1 1   18    2   24 o  919.125   75.510   13.549   2.1540   13.479   3.0476   13.620   3.0447  904.970  109.797  910.056  109.017 -5.085693 154.7259 
1 1 1   18    2   26 o  675.665   85.893   7.4192   1.7761   8.2468   2.4532   6.5076   2.5749  703.328  115.397  616.120  137.011 87.20721 179.1330 
1 1 1   18    2   28 o  1336.81  104.713   29.145   4.3481   28.245   6.1205   30.061   6.1783  1286.18  155.104  1330.05  151.026 -43.87122 216.4852 
1 1 1   18    2   30 o  1480.96  107.522   35.971   4.9521   37.151   6.9888   34.781   7.0179  1471.23  153.988  1417.51  160.966 53.72217 222.7604 
1 1 1   18    2   32 o  1096.65  113.606   20.012   3.8445   23.646   5.6492   16.877   5.2470  1161.80  159.497  964.851  180.305 196.9452 240.7259 
1 1 1   18    2   34 o  1396.50  115.460   32.577   5.0035   32.577   5.0035   0.0000   0.0000  1396.50  115.460  ?   ?  0.000000 115.4599 
1 1 1   18    2   36 o  1179.04   84.059   22.701   3.0830   21.271   4.3217   24.183   4.3995  1113.09  126.228  1192.85  119.390 -79.76245 173.7452 
1 1 1   18    2   38 o  981.959   91.693   16.144   2.7867   18.281   4.0375   14.200   3.8512  1013.86  130.187  880.238  144.758 133.6224 194.6883 
1 1 1   18    2   40 o  977.552  115.276   17.223   3.4607   16.700   6.3577   17.443   4.1254  787.767  237.804  952.661  142.688 -164.8936 277.3275 
1 1 1   18    2   42 o  701.386  133.538   9.8401   2.8256   13.253   4.3116   7.2706   3.7410  738.665  186.408  532.278  184.233 206.3870 262.0876 
1 1 1   18    2   44 o  299.529  140.105  -0.0409   3.2726  -2.1510   3.9883   4.3080   5.7256  288.235  140.029  397.541  185.744 -109.3063 232.6138 
1 1 1   18    2   46 o  288.249  136.430   0.2024   3.2698   0.0000   0.0000   0.2024   3.2698  ?   ?   288.249  136.430 0.000000 136.4297 
1 1 1   18    2   48 f  985.736  146.066   24.888   4.3720   33.184   7.9909   21.344   5.2231  625.280  256.109  713.355  215.587 -88.07544 334.7683 
1 1 1   18    3    1 o  812.887   71.258   10.480   1.7955   11.074   2.5139   9.8620   2.5652  831.068   98.521  781.750  107.651 49.31805 145.9285 
1 1 1   18    3    3 o  1989.60   75.808   62.402   4.7228   63.576   6.6849   61.233   6.6732  1998.65  107.208  1960.80  109.120 37.85791 152.9732 
1 1 1   18    3    5 o  1129.40   70.359   20.179   2.4758   18.748   3.4986   21.615   3.5041  1081.55  104.613  1163.77   97.046 -82.21973 142.6950 
1 1 1   18    3    7 o  1945.69   75.617   59.782   4.6069   58.379   6.5138   61.187   6.5166  1910.87  109.318  1957.37  106.727 -46.49683 152.7775 
1 1 1   18    3    9 o  1857.34  107.577   55.227   6.2297   57.418   8.7882   53.013   8.8321  1874.30  151.025  1796.64  158.624 77.65906 219.0208 
1 1 1   18    3   11 o  2002.01   88.744   63.637   5.5632   63.651   9.6785   63.630   6.7985  1967.00  158.484  1991.90  109.420 -24.90308 192.5875 
1 1 1   18    3   13 o  1327.86   70.582   27.948   2.9242   29.018   4.1441   26.887   4.1268  1345.25   99.078  1293.49  102.737 51.76050 142.7284 
1 1 1   18    3   15 o  861.015   84.544   11.893   2.2499   12.186   2.7521   11.303   3.9071  866.577  103.469  815.713  158.680 50.86359 189.4333 
1 1 1   18    3   17 o  1761.44   85.930   49.466   4.7395   52.229   5.8221   44.037   8.1604  1799.85  103.745  1617.90  163.314 181.9507 193.4805 
1 1 1   18    3   19 f  296.162  109.318   1.1491   1.3390  -0.0022   1.6741   3.1930   2.2306  263.693  113.126  441.525  142.066 -177.8327 181.6047 
1 1 1   18    3   21 o  1340.46   72.109   28.672   3.0155   30.634   4.2888   26.754   4.2407  1373.78  100.397  1280.43  106.744 93.34924 146.5396 
1 1 1   18    3   23 o  355.263  108.060   2.0667   1.3092   1.9806   1.8415   2.1547   1.8616  365.480  129.071  375.653  129.965 -10.17276 183.1671 
1 1 1   18    3   25 o  568.027  107.709   5.3836   1.8456   4.2196   2.2502   7.7766   3.2263  497.141  139.088  668.343  156.861 -171.2016 209.6444 
1 1 1   18    3   27 o  1078.65   86.659   18.753   2.9022   19.998   3.5672   16.314   4.9915  1107.27  104.108  966.891  171.130 140.3735 200.3096 
1 1 1   18    3   29 o  1008.63   77.877   16.351   2.4405   16.877   3.4326   15.814   3.4705  1012.09  110.090  976.872  115.708 35.21710 159.7132 
1 1 1   18    3   31 o  367.408  140.311   1.7412   2.2471  -1.6714   3.4902   4.1575   2.9369  330.282  150.971  493.924  163.281 -163.6417 222.3799 
1 1 1   18    3   33 o  934.304  100.124   14.396   2.8835   18.024   4.7915   12.336   3.6105  1013.01  156.069  843.263  141.769 169.7496 210.8456 
1 1 1   18    3   35 o  1088.69   98.894   19.579   3.3345   22.422   4.2709   15.139   5.3364  1151.82  120.189  890.784  196.587 261.0334 230.4160 
1 1 1   18    3   37 o  2352.74   86.803   90.746   6.3948   93.590   9.1006   87.972   8.9877  2331.09  125.136  2255.55  127.781 75.54004 178.8490 
1 1 1   18    3   39 o  287.448  130.889  -0.7165   2.5919   0.0000   0.0000  -0.7165   2.5919  ?   ?   287.448  130.889 0.000000 130.8894 
1 1 1   18    3   41 o  392.361  149.160   2.9699   2.5323  -1.8352   4.6304   5.0203   3.0246  334.394  159.434  476.238  165.611 -141.8445 229.8829 
1 1 1   18    3   43 o  516.068  189.996   7.6373   4.0403   6.3369   5.1675   9.6826   6.4807  454.428  196.867  498.759  218.201 -44.33087 293.8846 
1 1 1   18    3   45 o  255.974  123.373  -1.6403   2.9471   0.0000   0.0000  -1.6403   2.9471  ?   ?   255.974  123.373 0.000000 123.3734 
1 1 1   18    3   47 o  689.020  196.072   16.088   4.4325   0.0000   0.0000   16.088   4.4325  ?   ?   689.020  196.072 0.000000 196.0721 
1 1 1   18    3   49 o  280.372  133.682   1.4738   3.2561  -1.2836   7.6986   2.0745   3.5933  ?   ?   291.211  139.288 0.000000 139.2879 
1 1 1   18    4    0 o  651.784   78.474   6.7901   1.5694   7.4101   2.2787   6.2307   2.1646  674.826  111.750  616.599  116.381 58.22705 161.3461 
1 1 1   18    4    2 o  1598.17   71.918   40.234   3.5990   41.069   5.1139   39.416   5.0658  1606.54  102.189  1573.45  103.396 33.09399 145.3737 
1 1 1   18    4    4 o  1546.56   71.898   37.701   3.4818   38.928   4.9590   36.508   4.8897  1563.07  101.878  1512.98  103.841 50.09009 145.4716 
1 1 1   18    4    6 o  1115.72   69.545   19.701   2.4175   21.361   3.4424   18.087   3.3960  1156.49   95.926  1061.76  103.460 94.73596 141.0880 
1 1 1   18    4    8 o  2881.12   88.831  131.608   8.0139  131.042   11.339  132.173   11.327  2856.44  126.780  2869.12  126.084 -12.68774 178.8023 
1 1 1   18    4   10 o  1057.29   83.543   17.818   2.7433   15.902   4.7205   18.795   3.3709  975.448  160.106  1081.84  100.665 -106.3931 189.1228 
1 1 1   18    4   12 o  629.851   78.791   6.3765   1.5199   4.5661   2.1419   8.2127   2.1572  521.847  131.218  711.269   99.588 -189.4221 164.7296 
1 1 1   18    4   14 o  918.427   72.664   13.429   2.0726   13.002   2.9077   13.869   2.9552  895.395  105.750  925.713  103.734 -30.31793 148.1346 
1 1 1   18    4   16 o  779.991  110.737   9.9716   2.6286   9.9716   2.6286   0.0000   0.0000  779.991  110.737  ?   ?  0.000000 110.7373 
1 1 1   18    4   18 o  1877.81   86.740   56.334   5.1002   57.339   6.2545   54.339   8.8114  1882.21  106.559  1797.42  158.170 84.78503 190.7160 
1 1 1   18    4   20 o  712.409   79.626   8.1919   1.7459   7.2164   2.4954   9.1274   2.4435  653.554  126.509  743.654  108.102 -90.10065 166.4043 
1 1 1   18    4   22 o  1077.83   74.011   18.576   2.4827   19.395   3.5239   17.770   3.4985  1090.40  104.488  1041.54  108.882 48.86438 150.9068 
1 1 1   18    4   24 o  369.880  130.728   2.0186   1.8894   1.2756   3.1285   2.4452   2.3705  392.776  160.491  407.673  146.178 -14.89737 217.0841 
1 1 1   18    4   26 o  1166.21  101.750   22.094   3.6784   28.538   5.4014   16.521   5.0232  1310.35  133.510  975.287  170.705 335.0629 216.7144 
1 1 1   18    4   28 o  1439.19  167.198   35.666   7.3943   35.666   7.3943   0.0000   0.0000  1439.19  167.198  ?   ?  0.000000 167.1978 
1 1 1   18    4   30 o  964.487  122.836   15.559   3.6255   0.0000   0.0000   15.559   3.6255  ?   ?   964.487  122.836 0.000000 122.8364 
1 1 1   18    4   32 o  827.129  132.049   11.682   3.3050   0.0000   0.0000   11.682   3.3050  ?   ?   827.129  132.049 0.000000 132.0492 
1 1 1   18    4   34 o  1333.54  184.924   32.403   7.5139   0.0000   0.0000   32.403   7.5139  ?   ?   1333.54  184.924 0.000000 184.9245 
1 1 1   18    4   36 o  1022.82  130.855   18.108   4.0948   0.0000   0.0000   18.108   4.0948  ?   ?   1022.82  130.855 0.000000 130.8546 
1 1 1   18    4   38 f  1960.25  124.205   67.379   7.5843   0.0000   0.0000   67.379   7.5843  ?   ?   1960.25  124.205 0.000000 124.2046 
1 1 1   18    4   40 o  844.420  152.792   14.153   3.8912   0.0000   0.0000   14.153   3.8912  ?   ?   844.420  152.792 0.000000 152.7920 
1 1 1   18    4   42 o  482.292  190.494   6.2035   4.2513   5.5473   5.8313   6.9479   6.2111  454.047  202.404  477.150  210.995 -23.10318 292.3805 
1 1 1   18    4   44 o  716.848  153.013   11.706   3.3300   15.024   6.6942   10.614   3.8387  568.588  233.825  623.064  184.026 -54.47607 297.5563 
1 1 1   18    4   46 o  530.972  186.099   9.4487   3.8229   0.0000   0.0000   9.4487   3.8229  ?   ?   530.972  186.099 0.000000 186.0989 
1 1 1   18    4   48 o  394.760  169.572   6.5230   3.7701   0.0000   0.0000   6.5230   3.7701  ?   ?   394.760  169.572 0.000000 169.5717 
1 1 1   18    5    1 o  1436.29   70.963   32.492   3.1915   30.869   4.5142   34.114   4.5126  1391.35  104.377  1464.34   98.998 -72.98486 143.8575 
1 1 1   18    5    3 o  1076.92   82.251   18.421   2.7526   19.985   3.3915   15.402   4.7119  1118.78   97.795  963.789  161.873 154.9857 189.1206 
1 1 1   18    5    5 f  1629.94   72.467   41.906   3.6985   43.327   5.2477   40.503   5.2134  1648.28  102.181  1592.59  105.137 55.69153 146.6107 
1 1 1   18    5    7 o  1224.00   70.622   23.714   2.6952   25.020   3.8376   22.443   3.7861  1251.00   98.772  1183.27  103.218 67.72656 142.8631 
1 1 1   18    5    9 o  2668.77   99.298  113.327   8.2979  109.744   14.413  115.104   10.148  2574.26  179.942  2679.22  120.969 -104.9656 216.8238 
1 1 1   18    5   11 o  1396.95   71.559   30.907   3.1196   28.943   4.4384   32.825   4.3857  1342.32  106.472  1432.59   98.364 -90.27039 144.9543 
1 1 1   18    5   13 o  849.282   73.203   11.491   1.9277   12.357   2.7967   10.707   2.6607  873.496  104.315  811.421  107.356 62.07446 149.6895 
1 1 1   18    5   15 o  505.742  120.851   4.2901   1.8877   5.9249   2.6632   2.6396   2.6759  590.555  145.072  429.917  155.174 160.6381 212.4255 
1 1 1   18    5   17 o  1493.86   85.045   35.688   3.9617   34.211   4.8601   38.613   6.8391  1453.41  107.556  1524.54  145.012 -71.13049 180.5460 
1 1 1   18    5   19 o  453.476   98.753   3.4300   1.3625   3.7446   2.0115   3.1632   1.8521  470.390  131.469  434.869  127.653 35.52106 183.2467 
1 1 1   18    5   21 o  1102.54  105.363   19.813   3.5932   22.361   5.2373   17.547   4.9389  1150.52  148.869  1010.90  161.461 139.6109 219.6171 
1 1 1   18    5   23 o  310.433  128.895   0.5179   2.0611   0.0000   0.0000   0.5179   2.0611  ?   ?   310.433  128.895 0.000000 128.8947 
1 1 1   18    5   25 o  576.512  160.159   5.7565   2.9947   0.0000   0.0000   5.7565   2.9947  ?   ?   576.512  160.159 0.000000 160.1586 
1 1 1   18    5   27 f  987.454  151.582   16.602   4.5371   0.0000   0.0000   16.602   4.5371  ?   ?   987.454  151.582 0.000000 151.5816 
1 1 1   18    5   29 o  1036.85  110.900   17.696   3.5447   0.0000   0.0000   17.696   3.5447  ?   ?   1036.85  110.900 0.000000 110.8999 
1 1 1   18    5   31 o  2082.70  119.004   71.702   7.7286   0.0000   0.0000   71.702   7.7286  ?   ?   2082.70  119.004 0.000000 119.0039 
1 1 1   18    5   33 o  163.590   79.890  -2.4316   1.3460  -7.9567   4.6296  -1.9215   1.4067  297.210  145.773  180.298   86.478 116.9119 169.4940 
1 1 1   18    5   35 o  1618.10   90.353   42.726   4.5596   51.831   8.4213   38.950   5.4234  1713.31  158.777  1526.30  114.308 187.0118 195.6439 
1 1 1   18    5   37 o  1226.52   97.309   25.114   3.7065   29.040   6.9520   23.554   4.3811  1225.89  187.032  1167.72  121.604 58.16882 223.0887 
1 1 1   18    5   39 o  852.933  141.036   13.660   3.6351   0.0000   0.0000   13.660   3.6351  ?   ?   852.933  141.036 0.000000 141.0358 
1 1 1   18    5   41 o  568.202  202.434   8.5260   4.5393   10.877   6.5807   6.3925   6.2696  575.709  233.711  487.807  213.982 87.90182 316.8746 
1 1 1   18    5   43 o  414.585  154.848   3.9432   2.7023   3.0218   5.9867   4.1790   3.0283  399.095  187.572  419.711  162.217 -20.61612 247.9871 
1 1 1   18    5   45 o  247.046  117.398  -1.0961   2.4688  -6.4972   6.4019  -0.1526   2.6757  297.546  149.828  273.698  127.577 23.84784 196.7854 
1 1 1   18    5   47 f  420.690  162.326   5.6539   3.0285   5.0991   7.3502   5.7673   3.3237  352.647  174.933  411.806  166.472 -59.15936 241.4841 
1 1 1   18    5   49 o  336.202  151.080   4.3029   3.3193   0.0000   0.0000   4.3029   3.3193  ?   ?   336.202  151.080 0.000000 151.0802 
1 1 1   18    6    0 o  2564.90   83.454  103.872   6.7025  103.307   9.4963  104.432   9.4613  2546.84  119.079  2561.07  117.981 -14.23340 167.6288 
1 1 1   18    6    2 o  1393.39   83.618   30.781   3.6314   30.080   4.4577   32.165   6.2614  1372.55  104.505  1407.64  144.087 -35.09509 177.9957 
1 1 1   18    6    4 o  2128.43   77.631   71.527   5.1738   73.243   7.3368   69.830   7.2971  2142.18  109.747  2090.77  111.868 51.40234 156.7129 
1 1 1   18    6    6 o  1776.82   74.900   49.846   4.1672   50.383   5.9004   49.311   5.8862  1775.73  106.612  1756.36  107.547 19.36804 151.4344 
1 1 1   18    6    8 o  1682.33   85.983   44.944   4.5143   43.329   7.9277   45.718   5.4916  1625.08  157.785  1691.28  104.205 -66.20374 189.0889 
1 1 1   18    6   10 o  2202.90   91.277   77.044   6.2961   71.707   10.878   79.733   7.7209  2085.23  168.023  2233.86  110.381 -148.6348 201.0363 
1 1 1   18    6   12 o  904.230   72.762   13.006   2.0427   12.523   2.9726   13.439   2.8118  878.127  110.559  912.989   99.990 -34.86169 149.0685 
1 1 1   18    6   14 f  1010.89   83.190   16.331   2.6099   17.820   4.4554   15.553   3.2202  1037.70  140.751  979.938  106.668 57.76410 176.6039 
1 1 1   18    6   16 o  794.614  110.025   10.344   2.6641   11.071   3.7115   9.5716   3.8264  807.537  152.368  744.076  168.185 63.46100 226.9407 
1 1 1   18    6   18 o  938.626  104.329   14.353   3.0144   14.995   4.2367   13.695   4.2899  941.778  148.596  894.619  158.965 47.15906 217.6018 
1 1 1   18    6   20 f  536.085  163.675   4.9054   2.9994   0.0000   0.0000   4.9054   2.9994  ?   ?   536.085  163.675 0.000000 163.6750 
1 1 1   18    6   22 f  1781.99  107.287   51.436   5.9586   0.0000   0.0000   51.436   5.9586  ?   ?   1781.99  107.287 0.000000 107.2874 
1 1 1   18    6   24 o  1820.96  156.667   55.611   8.8460   0.0000   0.0000   55.611   8.8460  ?   ?   1820.96  156.667 0.000000 156.6665 
1 1 1   18    6   26 o  495.683  146.810   4.1604   2.4402   5.0701   4.7229   3.8290   2.8501  566.626  205.900  484.428  160.886 82.19769 261.3027 
1 1 1   18    6   28 o  748.430  126.403   9.4155   2.8568   13.460   5.0792   7.5441   3.4551  865.253  192.444  654.149  167.848 211.1041 255.3581 
1 1 1   18    6   30 o  2534.00   99.187  103.950   7.8701  115.138   13.744   98.492   9.5996  2580.48  171.071  2439.28  126.114 141.1980 212.5322 
1 1 1   18    6   32 o  773.156  133.862   10.223   3.1234   0.0000   0.0000   10.223   3.1234  ?   ?   773.156  133.862 0.000000 133.8624 
1 1 1   18    6   34 o  718.795  135.857   8.9592   2.9457   0.0000   0.0000   8.9592   2.9457  ?   ?   718.795  135.857 0.000000 135.8571 
1 1 1   18    6   36 o  1849.50   79.248   55.421   4.5895   58.045   6.5379   52.873   6.4441  1858.15  112.902  1768.70  117.018 89.44958 162.6040 
1 1 1   18    6   38 o  257.181  110.912   0.1396   1.6253   1.1397   2.6155  -0.4895   2.0745  344.830  144.356  265.852  119.454 78.97787 187.3710 
1 1 1   18    6   40 o  312.209  149.458  -2.8193   4.1568  -3.8104   5.6556  -1.6548   6.1303  347.644  168.384  383.160  182.895 -35.51627 248.6038 
1 1 1   18    6   42 o  720.390  115.648   9.8111   2.5204   11.903   4.0724   8.5125   3.2088  703.529  183.095  614.222  163.827 89.30707 245.6888 
1 1 1   18    6   44 o  506.279  228.333   13.286   7.6624   13.286   7.6624   0.0000   0.0000  506.279  228.333  ?   ?  0.000000 228.3331 
1 1 1   18    6   46 o  443.145  166.400   5.8864   3.1286   4.4127   7.5895   6.1881   3.4339  367.810  181.602  440.825  172.080 -73.01498 250.1812 
1 1 1   18    6   48 o  376.677  151.701   4.5295   2.7489   1.6823   4.4980   6.2268   3.4728  306.359  148.805  402.435  167.222 -96.07571 223.8445 
1 1 1   18    7    1 o  1007.26   84.019   16.140   2.6258   16.352   3.2387   15.733   4.4854  1009.73  103.920  977.376  151.461 32.35223 183.6840 
1 1 1   18    7    3 o  420.559  107.418   2.9201   1.4196   3.3940   2.3665   2.6537   1.7743  461.351  146.106  407.459  126.139 53.89157 193.0234 
1 1 1   18    7    5 o  291.877  104.840   1.1493   1.2199  -1.4717   1.9774   2.7595   1.5499  243.630  112.198  410.240  115.668 -166.6096 161.1443 
1 1 1   18    7    7 o  1272.04   82.501   25.700   3.2683   25.332   5.6225   25.887   4.0167  1243.85  147.214  1272.03  101.695 -28.17261 178.9239 
1 1 1   18    7    9 o  977.438   81.689   15.221   2.4773   18.550   4.2398   13.495   3.0525  1066.96  129.563  913.635  108.844 153.3290 169.2142 
1 1 1   18    7   11 o  645.516   90.719   6.7412   1.7831   8.5934   3.0478   5.7774   2.1986  717.139  140.750  589.316  123.115 127.8231 186.9972 
1 1 1   18    7   13 o  399.787  112.839   2.6347   1.4742   1.0629   2.5285   3.4443   1.8146  360.514  145.386  454.790  124.010 -94.27615 191.0906 
1 1 1   18    7   15 o  691.531  114.482   7.8920   2.3922   5.0670   3.3036   11.006   3.4686  549.994  172.424  810.018  141.928 -260.0233 223.3236 
1 1 1   18    7   17 f  799.302  108.198   10.465   2.6384   8.5108   3.6577   12.585   3.8094  699.676  168.880  863.659  146.072 -163.9834 223.2873 
1 1 1   18    7   19 o  1149.36  150.564   22.212   5.2884   0.0000   0.0000   22.212   5.2884  ?   ?   1149.36  150.564 0.000000 150.5644 
1 1 1   18    7   21 o  1049.64  153.050   18.591   4.8822   0.0000   0.0000   18.591   4.8822  ?   ?   1049.64  153.050 0.000000 153.0496 
1 1 1   18    7   23 o  1220.91   88.245   23.906   3.3509   31.648   6.3090   20.863   3.9548  1377.77  148.592  1131.40  113.149 246.3639 186.7679 
1 1 1   18    7   25 o  560.218  114.976   5.2516   1.9493   12.991   3.9234   2.7151   2.2461  876.310  148.273  418.476  142.840 457.8341 205.8844 
1 1 1   18    7   27 o  512.555  139.431   4.4856   2.2972   0.0000   0.0000   4.4856   2.2972  ?   ?   512.555  139.431 0.000000 139.4307 
1 1 1   18    7   29 f  906.917   98.038   13.410   2.7398   11.109   5.4922   14.172   3.1612  772.083  217.750  927.580  111.045 -155.4965 244.4302 
1 1 1   18    7   31 o  763.839   86.301   9.4821   2.0279   8.9298   2.8852   10.021   2.8510  723.918  132.150  772.226  121.955 -48.30780 179.8239 
1 1 1   18    7   33 o  1130.90   82.395   20.656   2.8976   24.015   4.1560   17.479   4.0421  1205.11  111.397  1016.92  129.909 188.1852 171.1305 
1 1 1   18    7   35 o  739.542   97.035   9.0840   2.1928   8.7017   3.1931   9.4252   3.0166  697.327  150.641  734.468  136.182 -37.14075 203.0718 
1 1 1   18    7   37 o  1568.99   91.865   40.879   4.4935   43.419   5.7076   36.737   7.2878  1591.46  115.318  1395.35  170.337 196.1158 205.7010 
1 1 1   18    7   39 o  706.818  127.931   9.2120   2.7272   12.038   4.0800   6.9296   3.6666  762.547  174.634  565.529  182.159 197.0180 252.3469 
1 1 1   18    7   41 o  494.890  143.306   5.0378   2.3484   4.2446   3.5379   5.6625   3.1399  441.806  174.008  500.857  168.894 -59.05081 242.4953 
1 1 1   18    7   43 o  462.945  182.022   5.7775   3.8651   5.7775   3.8651   0.0000   0.0000  462.945  182.022  ?   ?  0.000000 182.0218 
1 1 1   18    7   45 o  275.802  121.352   0.7538   2.0299   8.0506   4.7982  -0.8369   2.2403  467.529  195.604  243.106  114.411 224.4229 226.6073 
1 1 1   18    7   47 o  987.533  158.126   24.858   4.7246   0.0000   0.0000   24.858   4.7246  ?   ?   987.533  158.126 0.000000 158.1261 
1 1 1   18    8    0 o  2177.33  111.378   75.625   7.5680   84.622   10.752   66.792   10.654  2286.14  151.056  2020.97  169.936 265.1664 227.3681 
1 1 1   18    8    2 o  1460.50   83.312   33.818   3.7942   32.170   6.5575   34.648   4.6520  1404.24  151.537  1473.98  101.410 -69.73792 182.3389 
1 1 1   18    8    4 o  365.094  110.594   2.1380   1.3733   3.8929   2.2321   1.0691   1.7421  486.064  139.415  318.258  123.027 167.8056 185.9361 
1 1 1   18    8    6 o  730.995   87.546   8.5763   1.9640   11.018   3.3660   7.3159   2.4183  817.785  136.242  666.951  120.222 150.8331 181.7008 
1 1 1   18    8    8 o  1452.01   82.893   33.465   3.7532   36.536   6.5219   31.945   4.5893  1498.82  140.609  1412.84  104.478 85.98242 175.1757 
1 1 1   18    8   10 o  1141.94   69.352   20.655   2.4681   24.812   3.5915   16.935   3.3973  1246.64   92.671  1024.88  107.461 221.7557 141.9000 
1 1 1   18    8   12 o  255.633  102.299   0.5267   1.2414   0.3155   1.8516   0.6991   1.6731  291.047  121.616  295.293  118.553 -4.245819 169.8391 
1 1 1   18    8   14 o  788.357  109.379   10.152   2.6273   10.211   3.5539   10.080   3.9015  777.105  151.497  766.659  167.229 10.44647 225.6474 
1 1 1   18    8   16 o  251.275  101.401   0.4726   1.2309   1.4100   1.7732  -0.3991   1.7099  334.659  125.349  252.859  111.314 81.80005 167.6403 
1 1 1   18    8   18 o  598.638   95.994   5.8705   1.7386   6.5716   2.5160   5.2297   2.4052  623.689  132.899  554.494  138.840 69.19495 192.1945 
1 1 1   18    8   20 o  474.338  144.943   3.7359   2.3515   2.4534   3.8890   4.4750   2.9523  463.942  182.530  518.194  163.087 -54.25235 244.7748 
1 1 1   18    8   22 o  830.630  104.233   11.232   2.6513   13.296   4.8745   10.365   3.1596  874.147  183.910  788.258  132.725 85.88861 226.8013 
1 1 1   18    8   24 o  789.989  109.575   10.224   2.6375   4.9066   4.7440   12.602   3.1731  566.248  206.267  875.389  118.835 -309.1418 238.0504 
1 1 1   18    8   26 o  1720.56   93.523   47.537   5.0196   40.906   8.7733   50.764   6.1204  1540.50  185.618  1769.23  111.041 -228.7322 216.2960 
1 1 1   18    8   28 o  562.343  135.122   5.4084   2.3496   5.3644   4.7510   5.4226   2.7034  575.033  206.863  560.344  150.768 14.68896 255.9754 
1 1 1   18    8   30 o  765.315  105.704   9.6569   2.4655   6.6696   3.2227   13.872   3.8283  615.407  164.199  904.795  139.618 -289.3871 215.5335 
1 1 1   18    8   32 o  1088.51   94.688   19.271   3.1952   18.334   4.0948   20.731   5.1090  1045.86  127.690  1098.23  152.699 -52.36670 199.0520 
1 1 1   18    8   34 o  1414.83   91.490   32.591   4.0315   31.137   5.1302   34.938   6.5188  1363.16  121.464  1422.14  148.582 -58.97961 191.9117 
1 1 1   18    8   36 o  1590.31  122.036   43.259   6.0306   39.078   9.4648   46.117   7.8246  1380.62  226.816  1597.38  158.531 -216.7566 276.7259 
1 1 1   18    8   38 f  1362.16   95.281   31.376   4.0384   36.616   6.6219   28.273   5.0956  1392.75  154.442  1251.52  132.022 141.2255 203.1799 
1 1 1   18    8   40 f  792.772  113.263   11.380   2.7317   10.390   4.5285   11.946   3.4250  655.230  201.298  780.167  145.555 -124.9376 248.4095 
1 1 1   18    8   42 f  906.430  109.559   15.180   3.0465   17.447   5.2577   14.034   3.7379  826.001  204.393  818.678  151.389 7.322815 254.3522 
1 1 1   18    8   44 o  431.451  139.658   4.1512   2.1532   7.5477   3.8164   2.5652   2.6079  511.351  185.199  355.918  146.107 155.4326 235.8942 
1 1 1   18    8   46 o  572.325  175.307   9.3842   3.4375   0.0000   0.0000   9.3842   3.4375  ?   ?   572.325  175.307 0.000000 175.3070 
1 1 1   18    8   48 o  187.050   91.083  -1.7634   1.7141  -1.8626   4.8166  -1.7490   1.8341  278.298  138.635  194.133   94.463 84.16525 167.7587 
1 1 1   18    9    1 o  798.777   77.716   10.162   1.9192   12.127   2.7682   8.3436   2.6631  867.993  103.917  713.180  123.741 154.8127 161.5880 
1 1 1   18    9    3 o  550.638   89.983   4.9196   1.4979   6.9303   2.2478   3.3137   2.0089  650.454  114.548  450.836  133.119 199.6176 175.6184 
1 1 1   18    9    5 o  183.313   82.833  -0.5470   1.0140   1.5588   1.5220  -2.2278   1.3597  332.843  117.364  170.794   82.685 162.0486 143.5657 
1 1 1   18    9    7 o  796.190   92.629   10.182   2.2661   5.1209   4.2468   12.197   2.6795  573.543  196.408  870.663  100.107 -297.1204 220.4488 
1 1 1   18    9    9 o  265.023  100.244   0.8116   1.1401   3.3614   1.6333  -1.6109   1.5920  450.069  115.364  207.156   97.159 242.9131 150.8266 
1 1 1   18    9   11 o  1011.10  103.603   16.473   3.2338   13.905   4.4124   19.453   4.7530  909.858  160.756  1086.61  143.180 -176.7562 215.2742 
1 1 1   18    9   13 f  1169.55   99.909   21.996   3.6237   17.013   4.9629   27.687   5.3034  1004.85  163.341  1301.12  132.001 -296.2772 210.0108 
1 1 1   18    9   15 o  479.747  110.367   3.8413   1.6234   5.4796   2.1477   1.6572   2.4797  571.778  123.563  380.365  146.852 191.4125 191.9196 
1 1 1   18    9   17 o  247.950  101.528   0.3687   1.2553  -0.5616   1.5274   2.3052   2.2037  232.164  103.534  397.984  141.127 -165.8196 175.0314 
1 1 1   18    9   19 o  333.439  123.427   1.4408   1.7093   3.7441   2.3978  -0.9391   2.4373  476.278  146.501  290.083  129.971 186.1950 195.8438 
1 1 1   18    9   21 o  1044.53   78.679   17.401   2.5544   16.492   3.5961   18.327   3.6292  1005.82  116.327  1062.83  110.673 -57.01648 160.5631 
1 1 1   18    9   23 o  936.405  123.229   14.403   3.5255   11.930   5.7167   15.921   4.4785  816.064  219.106  974.268  151.744 -158.2044 266.5209 
1 1 1   18    9   25 o  734.776  138.394   9.0919   3.0673   5.4161   5.0980   11.178   3.8401  589.223  213.950  809.508  157.164 -220.2847 265.4716 
1 1 1   18    9   27 o  442.719  158.625   2.9109   2.7909   0.0000   0.0000   2.9109   2.7909  ?   ?   442.719  158.625 0.000000 158.6250 
1 1 1   18    9   29 o  405.346  154.425   2.1059   2.7179   0.0000   0.0000   2.1059   2.7179  ?   ?   405.346  154.425 0.000000 154.4253 
1 1 1   18    9   31 o  2199.58   95.600   77.982   6.5844   76.113   8.1594   81.473   11.149  2151.16  121.633  2183.48  164.270 -32.31934 204.3994 
1 1 1   18    9   33 o  688.048  112.087   7.9382   2.3317   12.880   3.7389   4.7931   2.9828  864.813  143.076  523.771  163.778 341.0422 217.4716 
1 1 1   18    9   35 o  2092.00   80.101   70.785   5.2471   67.815   7.4024   73.785   7.4386  2007.31  118.295  2099.75  113.560 -92.43970 163.9806 
1 1 1   18    9   37 f  939.147   96.440   14.866   2.7957   13.426   4.0027   16.238   3.9066  845.632  156.946  951.524  134.895 -105.8920 206.9507 
1 1 1   18    9   39 o  525.401  184.551   6.0081   3.7605   6.0081   3.7605   0.0000   0.0000  525.401  184.551  ?   ?  0.000000 184.5512 
1 1 1   18    9   41 o  318.506  125.071   1.5676   1.8227   0.5948   2.9944   2.1401   2.2972  326.418  145.310  355.328  140.131 -28.90952 201.8707 
1 1 1   18    9   43 o  764.339  157.740   12.859   3.6500   0.0000   0.0000   12.859   3.6500  ?   ?   764.339  157.740 0.000000 157.7396 
1 1 1   18    9   45 o  550.907  171.774   8.1044   3.2838   0.0000   0.0000   8.1044   3.2838  ?   ?   550.907  171.774 0.000000 171.7738 
1 1 1   18    9   47 o  363.788  143.797   3.4495   2.4242  -5.1727   5.1821   5.8650   2.7428  271.317  136.385  453.509  157.706 -182.1919 208.4998 
1 1 1   18   10    0 o  763.179   81.183   9.2971   1.9102   8.3490   2.7214   10.218   2.6820  712.948  126.540  794.327  110.850 -81.37891 168.2262 
1 1 1   18   10    2 o  911.676   75.106   13.196   2.1250   14.327   3.0407   12.116   2.9708  944.319  104.591  865.711  112.235 78.60822 153.4139 
1 1 1   18   10    4 o  1186.52   72.976   22.284   2.6981   21.469   3.8636   23.060   3.7695  1157.03  107.888  1201.14  101.165 -44.10693 147.8990 
1 1 1   18   10    6 o  242.909  103.468   0.0115   1.3825  -3.3093   2.8498   1.0336   1.5811  267.890  126.960  306.655  117.553 -38.76480 173.0248 
1 1 1   18   10    8 o  1296.95   74.761   26.652   3.0232   23.456   4.2454   29.941   4.3063  1206.81  113.687  1368.36  101.223 -161.5547 152.2197 
1 1 1   18   10   10 o  608.177  108.086   6.0745   1.9829   6.8223   2.9888   5.4865   2.6502  635.304  152.237  570.700  147.303 64.60364 211.8355 
1 1 1   18   10   12 o  820.633   85.027   10.799   2.1532   10.873   2.9705   10.717   3.1255  814.169  120.128  805.757  128.171 8.411438 175.6662 
1 1 1   18   10   14 o  1781.59   86.784   50.459   4.8413   42.864   8.0973   54.685   6.0397  1604.46  163.457  1845.46  104.953 -241.0074 194.2508 
1 1 1   18   10   16 o  263.592  107.371   0.4567   1.3948   1.0117   1.6352  -1.0254   2.6722  307.540  119.108  303.677  136.073 3.863434 180.8386 
1 1 1   18   10   18 f  1190.97   90.039   22.688   3.3330   21.699   4.1762   24.422   5.5315  1156.20  116.962  1214.71  148.524 -58.50940 189.0485 
1 1 1   18   10   20 o  958.673   92.751   14.759   2.7494   13.963   3.4713   16.100   4.5038  923.430  123.120  982.517  151.245 -59.08704 195.0220 
1 1 1   18   10   22 o  1954.33   89.516   60.764   5.4779   62.026   6.7948   58.420   9.2587  1963.28  110.983  1878.78  158.872 84.50391 193.7981 
1 1 1   18   10   24 o  1071.56  115.347   18.694   3.8093   24.392   6.3006   15.412   4.7823  1199.74  172.694  952.147  166.464 247.5921 239.8619 
1 1 1   18   10   26 o  748.669  117.448   9.2641   2.6627   6.5196   5.0700   10.309   3.1290  624.002  214.561  785.652  131.862 -161.6496 251.8416 
1 1 1   18   10   28 o  822.504  139.239   11.397   3.4581   0.0000   0.0000   11.397   3.4581  ?   ?   822.504  139.239 0.000000 139.2391 
1 1 1   18   10   30 o  656.185  136.545   7.3380   2.7142   7.7127   5.9056   7.2377   3.0562  662.908  231.362  646.169  153.350 16.73822 277.5685 
1 1 1   18   10   32 o  438.876  127.943   3.2606   1.8663   5.3924   2.7659   1.4789   2.5286  555.370  153.790  370.532  146.735 184.8380 212.5616 
1 1 1   18   10   34 o  518.377  130.844   4.6979   2.1240   4.1256   3.2531   5.1231   2.8042  492.328  171.721  535.126  157.072 -42.79822 232.7218 
1 1 1   18   10   36 o  823.232  105.935   11.513   2.6674   10.448   4.1608   12.256   3.4755  730.323  182.470  827.798  139.011 -97.47552 229.3893 
1 1 1   18   10   38 f  369.735  151.428   1.7690   2.7933   2.8122   3.0772  -3.1146   6.6580  413.353  162.449  397.254  189.895 16.09824 249.8993 
1 1 1   18   10   40 o  250.586  110.178   0.0146   1.6707   2.9235   2.8234  -1.5528   2.0725  400.991  156.171  233.416  109.909 167.5755 190.9690 
1 1 1   18   10   42 f  503.199  140.165   5.2432   2.2904   2.5543   3.9164   6.6410   2.8237  389.964  170.139  550.922  156.398 -160.9580 231.1013 
1 1 1   18   10   44 o  282.622  124.808   0.5836   2.1661   1.1383   9.9440   0.5559   2.2194  398.256  198.522  283.855  125.794 114.4013 235.0211 
1 1 1   18   10   46 o  465.256  211.779   11.549   6.7778   21.829   11.223   5.6470   8.5037  468.493  229.192  386.924  191.259 81.56903 298.5111 
1 1 1   18   11    1 o  1568.89   75.073   38.817   3.6880   33.715   5.1619   44.137   5.2711  1450.93  114.549  1664.98  101.591 -214.0490 153.1088 
1 1 1   18   11    3 o  1006.86   76.013   16.084   2.3788   11.895   3.2693   20.797   3.4677  853.984  126.051  1141.15   97.998 -287.1700 159.6638 
1 1 1   18   11    5 o  1074.30  110.378   18.564   3.6602   13.961   5.3218   22.697   5.0421  905.021  193.648  1180.44  139.081 -275.4205 238.4178 
1 1 1   18   11    7 o  563.812  111.313   5.2405   1.8954   6.3288   2.4359   3.5701   3.0176  616.798  130.211  484.077  165.563 132.7206 210.6323 
1 1 1   18   11    9 o  650.849  106.318   6.9230   2.0919   7.3771   2.5564   6.0029   3.6393  667.111  127.022  598.297  179.764 68.81354 220.1130 
1 1 1   18   11   11 o  514.064  121.218   4.4114   1.9195   4.8520   2.3957   3.6215   3.2078  537.351  140.715  489.362  170.531 47.98874 221.0922 
1 1 1   18   11   13 o  933.398   92.329   13.987   2.6631   14.416   3.2838   13.161   4.5519  941.937  113.631  879.844  171.384 62.09351 205.6324 
1 1 1   18   11   15 o  508.566  120.106   4.3184   1.8821   3.8168   2.2980   5.3403   3.2800  480.535  142.502  564.937  170.868 -84.40222 222.4919 
1 1 1   18   11   17 o  1323.05   88.305   27.906   3.6373   25.330   4.5099   32.699   6.1522  1251.89  116.381  1414.10  140.814 -162.2136 182.6827 
1 1 1   18   11   19 o  1232.38   80.153   24.147   3.0762   26.298   4.3716   22.038   4.3294  1277.86  110.338  1165.83  120.329 112.0276 163.2590 
1 1 1   18   11   21 o  1812.46  108.504   52.721   6.1296   50.140   8.6418   55.335   8.6955  1742.54  160.175  1835.45  152.684 -92.91736 221.2878 
1 1 1   18   11   23 o  234.481  103.607  -0.4265   1.4948  -0.3486   1.9522  -0.5369   2.3239  273.839  119.781  294.246  129.641 -20.40707 176.5058 
1 1 1   18   11   25 o  312.309  133.170   0.1130   2.2946   0.0000   0.0000   0.1130   2.2946  ?   ?   312.309  133.170 0.000000 133.1696 
1 1 1   18   11   27 f  467.559  147.238   3.5949   2.4060  -1.3109   5.0016   5.0719   2.7444  416.998  186.555  545.549  153.947 -128.5507 241.8731 
1 1 1   18   11   29 f  770.842  145.007   10.089   3.3716   3.4598   5.9223   13.268   4.1010  550.701  222.357  882.810  153.956 -332.1092 270.4532 
1 1 1   18   11   31 o  1297.26  120.824   27.740   4.8515   0.0000   0.0000   27.740   4.8515  ?   ?   1297.26  120.824 0.000000 120.8241 
1 1 1   18   11   33 o  1543.90   96.776   38.859   4.6548   37.992   7.6333   39.373   5.8732  1469.23  169.001  1535.54  123.189 -66.31030 209.1332 
1 1 1   18   11   35 o  449.539  137.511   3.5672   2.1159   0.8437   3.2356   5.6020   2.7967  370.983  158.161  552.023  155.280 -181.0402 221.6460 
1 1 1   18   11   37 o  553.513  168.057   6.0357   3.1685   6.6430   3.6010   3.9534   6.6682  572.770  180.092  508.680  221.969 64.09045 285.8384 
1 1 1   18   11   39 o  939.412  101.344   15.318   2.9338   9.8557   4.4533   19.508   3.8998  656.316  199.228  1039.11  122.189 -382.7981 233.7135 
1 1 1   18   11   41 f  347.287  130.675   2.0946   1.9314   1.7556   3.0668   2.3174   2.4864  361.585  154.063  367.526  145.518 -5.941315 211.9217 
1 1 1   18   11   43 o  597.325  157.886   7.9536   2.9978   0.0000   0.0000   7.9536   2.9978  ?   ?   597.325  157.886 0.000000 157.8858 
1 1 1   18   11   45 o  405.913  168.589   4.3032   3.5275   6.7085   3.8867  -6.9359   8.4015  472.743  183.478  333.200  168.253 139.5439 248.9445 
1 1 1   18   12    0 o  1202.70  109.029   23.171   4.0613   23.171   4.0613   0.0000   0.0000  1202.70  109.029  ?   ?  0.000000 109.0287 
1 1 1   18   12    2 o  966.129   89.430   14.892   2.6747   15.786   3.2754   13.101   4.6340  991.028  107.264  883.258  173.744 107.7697 204.1872 
1 1 1   18   12    4 o  1339.30  109.260   28.737   4.5421   23.192   6.3739   34.458   6.4742  1179.51  178.129  1455.89  143.902 -276.3790 228.9926 
1 1 1   18   12    6 o  818.347   96.395   10.773   2.4227   11.370   3.0447   9.7417   4.0001  835.205  119.855  757.883  172.442 77.32263 210.0035 
1 1 1   18   12    8 o  448.959  129.579   3.3158   1.9229   1.3843   2.3317   7.4218   3.3997  364.200  141.900  661.602  164.737 -297.4022 217.4258 
1 1 1   18   12   10 o  1636.56   86.949   42.580   4.4397   35.545   5.4208   56.912   7.7376  1485.33  117.513  1874.83  132.661 -389.5006 177.2238 
1 1 1   18   12   12 o  1329.14   85.207   28.108   3.5275   25.878   4.3075   32.650   6.1467  1268.42  109.528  1414.38  140.655 -145.9595 178.2704 
1 1 1   18   12   14 o  1288.35   79.481   26.354   3.1907   28.265   4.4783   24.383   4.5472  1326.58  108.766  1228.12  119.771 98.46497 161.7875 
1 1 1   18   12   16 o  1766.04   79.246   49.317   4.3822   50.324   6.1967   48.310   6.1980  1771.85  112.271  1734.99  114.736 36.86584 160.5274 
1 1 1   18   12   18 o  455.931  127.831   3.4351   1.8986   4.2682   2.5594   2.4157   2.8311  508.384  150.296  428.912  158.832 79.47260 218.6700 
1 1 1   18   12   20 o  1650.70  119.275   43.888   6.1235   0.0000   0.0000   43.888   6.1235  ?   ?   1650.70  119.275 0.000000 119.2749 
1 1 1   18   12   22 o  1341.14  105.671   28.903   4.4017   28.617   6.1896   29.195   6.2608  1316.34  153.023  1329.65  153.176 -13.30139 216.5149 
1 1 1   18   12   24 o  688.711  116.615   7.8215   2.4251   10.306   3.6591   5.8758   3.2384  780.475  155.191  587.920  167.697 192.5543 228.4875 
1 1 1   18   12   26 o  755.099  105.982   9.3096   2.4368   8.0447   3.0908   11.387   3.9614  688.624  147.767  817.892  160.411 -129.2678 218.0986 
1 1 1   18   12   28 o  1199.36  121.759   23.527   4.5092   0.0000   0.0000   23.527   4.5092  ?   ?   1199.36  121.759 0.000000 121.7586 
1 1 1   18   12   30 o  2080.45  127.760   71.076   8.2826   0.0000   0.0000   71.076   8.2826  ?   ?   2080.45  127.760 0.000000 127.7604 
1 1 1   18   12   32 o  255.204  117.428  -1.4148   2.1599   1.0961   6.9621  -1.6822   2.2719  516.758  226.115  256.757  118.954 260.0008 255.4959 
1 1 1   18   12   34 o  947.780  103.880   14.969   3.0324   10.250   4.7254   18.274   3.9539  724.666  201.137  1035.23  124.469 -310.5661 236.5348 
1 1 1   18   12   36 o  389.384  153.083   2.1349   2.7335   3.5508   3.0354  -3.9397   6.2872  451.620  164.920  392.116  186.630 59.50443 249.0569 
1 1 1   18   12   38 o  540.433  134.131   5.4546   2.2591   0.6051   3.5697   8.6948   2.9178  363.432  160.370  680.707  141.509 -317.2748 213.8770 
1 1 1   18   12   40 o  237.582  107.650  -0.5117   1.7263  -3.0004   2.6409   1.3449   2.2810  241.368  116.445  329.959  136.184 -88.59088 179.1800 
1 1 1   18   12   42 f  424.244  142.465   3.6823   2.2340   1.2477   3.5812   5.2331   2.8583  356.732  158.850  486.503  161.094 -129.7705 226.2408 
1 1 1   18   12   44 o  155.732   79.117  -6.9029   2.0662  -7.1511   2.1359  -3.2828   8.1576  157.900   80.239  364.978  181.589 -207.0789 198.5264 
1 1 1   18   13    1 o  1577.45  108.540   39.755   5.3286   39.755   5.3286   0.0000   0.0000  1577.45  108.540  ?   ?  0.000000 108.5404 
1 1 1   18   13    3 o  698.073  197.776   8.2786   4.5201   8.2786   4.5201   0.0000   0.0000  698.073  197.776  ?   ?  0.000000 197.7758 
1 1 1   18   13    5 o  744.628  106.193   8.9916   2.4059   5.4135   3.7926   11.401   3.1122  577.434  185.187  835.995  122.527 -258.5609 222.0523 
1 1 1   18   13    7 o  488.003  127.966   3.9584   1.9795   2.1967   2.4308   7.4263   3.4105  404.459  147.601  662.677  164.997 -258.2183 221.3820 
1 1 1   18   13    9 o  449.016  129.141   3.3128   1.9129   1.6581   2.3158   6.8663   3.3937  375.463  142.666  637.281  167.770 -261.8184 220.2277 
1 1 1   18   13   11 o  806.947   91.240   10.447   2.2649   11.970   3.1369   8.7883   3.2736  857.474  120.128  725.004  149.179 132.4702 191.5330 
1 1 1   18   13   13 o  725.979   98.011   8.5097   2.1711   8.0404   2.9129   9.0963   3.2565  695.640  138.594  739.091  145.891 -43.45032 201.2271 
1 1 1   18   13   15 o  268.185  114.973  -0.0599   1.7271  -0.2605   2.6110   0.0961   2.3028  323.011  139.936  314.539  133.747 8.472046 193.5728 
1 1 1   18   13   17 o  1265.25   92.801   25.505   3.6509   25.815   6.0170   25.325   4.5931  1253.40  156.737  1253.99  118.376 -0.5887451 196.4166 
1 1 1   18   13   19 o  1496.52   91.717   35.642   4.2771   32.171   7.1042   37.615   5.3567  1395.93  165.772  1531.39  112.498 -135.4647 200.3406 
1 1 1   18   13   21 o  1144.73   86.805   20.888   3.0883   17.748   4.3517   24.075   4.3835  1040.49  136.891  1221.27  116.023 -180.7863 179.4451 
1 1 1   18   13   23 o  382.589  136.514   2.0667   2.0650   2.1504   2.8653   1.9762   2.9788  418.459  158.766  416.429  160.903 2.030426 226.0450 
1 1 1   18   13   25 o  891.836  106.052   12.894   2.9035   13.020   3.7879   12.714   4.5210  884.987  141.457  862.685  173.382 22.30212 223.7662 
1 1 1   18   13   27 o  1057.46   99.187   18.023   3.2459   20.734   5.1248   16.206   4.1945  1115.46  150.574  988.573  139.371 126.8867 205.1746 
1 1 1   18   13   29 o  1637.90  105.965   43.354   5.4055   30.511   10.463   48.030   6.3132  1266.91  271.890  1717.92  118.080 -451.0065 296.4242 
1 1 1   18   13   31 o  431.193  154.090   2.8223   2.6320  -0.0000   7.5138   3.2170   2.8100  518.447  230.523  453.230  159.508 65.21713 280.3276 
1 1 1   18   13   33 o  2091.73  135.381   74.374   8.8196   63.626   14.101   81.281   11.304  1755.75  264.706  2139.28  170.151 -383.5331 314.6754 
1 1 1   18   13   35 o  674.923  163.328   8.5355   3.4144   8.5355   3.4144   0.0000   0.0000  674.923  163.328  ?   ?  0.000000 163.3276 
1 1 1   18   13   37 o  955.416   96.435   15.418   2.8455   13.540   4.2276   16.974   3.8475  837.550  167.060  976.190  129.034 -138.6409 211.0894 
1 1 1   18   13   39 o  843.570  114.986   12.665   2.9581   9.4197   4.6402   14.888   3.8395  637.412  204.881  888.337  142.876 -250.9252 249.7793 
1 1 1   18   13   41 o  334.318  133.333   1.6709   2.1014  -0.0008   3.1398   3.0274   2.8284  321.283  145.414  402.661  156.451 -81.37805 213.5933 
1 1 1   18   13   43 f  407.292  144.122   3.4458   2.2970   3.9449   3.5304   3.0794   3.0249  422.557  171.306  392.799  158.804 29.75726 233.5904 
1 1 1   18   14    0 o  1149.69  113.831   21.242   4.0440   21.242   4.0440   0.0000   0.0000  1149.69  113.831  ?   ?  0.000000 113.8310 
1 1 1   18   14    2 f  1373.34  171.318   31.096   7.2069   0.0000   0.0000   31.096   7.2069  ?   ?   1373.34  171.318 0.000000 171.3177 
1 1 1   18   14    4 o  430.292  138.346   2.9111   2.1156   5.0461   2.4125  -4.1992   4.4025  550.094  139.774  344.787  161.664 205.3076 213.7097 
1 1 1   18   14    6 o  611.232  127.134   6.1874   2.3540   8.6647   2.7103  -1.4204   4.7495  727.047  123.466  411.427  183.090 315.6194 220.8302 
1 1 1   18   14    8 o  424.993  139.890   2.7906   2.1565   2.8978   2.4904   2.4692   4.3117  440.025  150.407  488.462  192.188 -48.43765 244.0461 
1 1 1   18   14   10 o  1833.82   96.723   53.423   5.5343   58.866   6.7420   42.177   9.6906  1920.39  112.612  1591.18  198.837 329.2125 228.5119 
1 1 1   18   14   12 o  813.763  161.885   11.052   3.9798   11.052   3.9798   0.0000   0.0000  813.763  161.885  ?   ?  0.000000 161.8855 
1 1 1   18   14   14 o  891.541  132.206   12.973   3.5789   11.886   4.5664   14.703   5.7622  839.884  179.104  928.789  203.736 -88.90527 271.2683 
1 1 1   18   14   16 o  609.008  157.007   6.2150   3.0132   5.9667   3.6754   6.7241   5.2621  600.556  180.700  649.652  218.646 -49.09644 283.6526 
1 1 1   18   14   18 o  1429.64  120.663   32.866   5.3511   40.274   7.0703   22.931   8.1871  1574.88  145.004  1149.20  235.434 425.6797 276.5050 
1 1 1   18   14   20 o  727.441  117.328   8.6570   2.5816   8.4477   3.9453   8.8138   3.4139  704.472  178.606  724.383  155.183 -19.91180 236.6047 
1 1 1   18   14   22 o  1361.74   98.081   29.634   4.1541   29.615   6.6928   29.646   5.2982  1337.96  163.130  1353.01  126.527 -15.04504 206.4475 
1 1 1   18   14   24 o  695.966  118.395   7.9699   2.4877   4.8222   3.6883   10.597   3.3696  549.086  183.053  798.557  139.853 -249.4710 230.3633 
1 1 1   18   14   26 o  810.376  111.729   10.711   2.7597   9.9488   4.2348   11.274   3.6384  759.451  180.699  820.646  146.991 -61.19507 232.9349 
1 1 1   18   14   28 o  500.422  160.642   4.1096   2.8534   2.2647   3.1885   11.528   6.3937  432.723  166.674  796.594  238.028 -363.8709 290.5813 
1 1 1   18   14   30 o  326.690  135.999   0.5768   2.3031  -0.3282   2.4668   6.7247   6.4293  307.113  134.482  639.017  238.816 -331.9048 274.0771 
1 1 1   18   14   34 o  523.847  217.071   3.9005   5.8288   0.0000   0.0000   3.9005   5.8288  ?   ?   523.847  217.071 0.000000 217.0706 
1 1 1   18   14   36 o  391.891  148.568   2.3572   2.5078   0.3540   2.8140   10.087   5.5279  333.948  144.975  677.472  224.015 -343.5244 266.8344 
1 1 1   18   14   38 o  289.151  130.837  -0.6124   2.5399  -0.2495   2.7937  -2.3415   6.0987  311.413  139.365  394.603  186.634 -83.19031 232.9263 
1 1 1   18   14   40 o  336.324  161.717  -3.5189   4.9895   2.0811   10.049  -5.3512   5.7481  485.559  232.425  340.063  165.855 145.4957 285.5336 
1 1 1   18   14   42 o  390.355  159.770   2.7005   3.1070   3.6899   3.3185  -4.3272   8.8442  425.146  168.182  396.736  195.912 28.41052 258.1992 
1 1 1   18   15    1 o  796.456  114.365   10.282   2.7703   13.277   3.2527   2.3713   5.2865  906.272  117.380  522.103  210.338 384.1692 240.8734 
1 1 1   18   15    3 o  577.822  152.347   5.5627   2.7957   5.5627   2.7957   0.0000   0.0000  577.822  152.347  ?   ?  0.000000 152.3470 
1 1 1   18   15    5 o  577.747  173.672   5.4771   3.3962   4.2735   4.8299   6.6542   4.7765  562.420  207.619  642.108  208.024 -79.68793 293.9042 
1 1 1   18   15    7 o  1718.77   94.634   46.852   5.0735   48.646   6.1674   43.095   8.9232  1746.67  113.378  1621.65  178.697 125.0227 211.6298 
1 1 1   18   15    9 o  1557.22   95.388   38.483   4.6287   43.100   5.6245   28.793   8.1476  1644.84  109.837  1312.87  204.885 331.9691 232.4695 
1 1 1   18   15   11 o  778.817  116.654   9.8408   2.7572   9.0255   3.1849   12.280   5.5086  739.212  142.767  849.401  208.628 -110.1888 252.8001 
1 1 1   18   15   13 o  1118.46  104.953   19.995   3.6326   22.820   4.2871   12.802   6.8404  1192.89  116.253  862.813  242.897 330.0775 269.2839 
1 1 1   18   15   15 o  983.234  124.931   15.646   3.7595   13.819   4.6976   18.902   6.2699  910.377  171.073  1060.13  196.103 -149.7551 260.2353 
1 1 1   18   15   17 f  410.225  155.648   1.9912   2.7540   2.9449   3.1324  -1.2563   5.7802  463.022  167.769  460.944  203.701 2.078552 263.8949 
1 1 1   18   15   19 o  554.417  167.017   5.0587   3.1384   5.5798   3.7252   3.7839   5.8258  584.198  183.087  573.921  224.109 10.27667 289.3883 
1 1 1   18   15   21 o  679.351  162.612   7.7906   3.4131   7.7906   3.4131   0.0000   0.0000  679.351  162.612  ?   ?  0.000000 162.6122 
1 1 1   18   15   23 o  895.903  125.048   13.102   3.4123   11.936   3.8725   17.154   7.2172  846.456  151.678  986.445  236.684 -139.9898 281.1147 
1 1 1   18   15   25 o  644.577  151.950   7.0223   3.0168   10.466   3.4155  -5.2010   6.4344  792.671  142.861  421.901  197.052 370.7698 243.3905 
1 1 1   18   15   27 o  773.003  254.508   10.615   7.1380   0.0000   0.0000   10.615   7.1380  ?   ?   773.003  254.508 0.000000 254.5080 
1 1 1   18   15   29 o  813.127  149.018   11.267   3.6543   10.042   4.2297   14.876   7.2570  753.735  181.407  884.544  250.595 -130.8092 309.3645 
1 1 1   18   15   31 o  470.863  161.185   3.6459   2.8602   2.4695   3.1340   9.5097   6.9969  430.072  165.352  705.162  251.318 -275.0892 300.8359 
1 1 1   18   15   33 o  347.357  171.827 -12.3222   6.9089   0.0000   0.0000 -12.3222   6.9089  ?   ?   347.357  171.827 0.000000 171.8268 
1 1 1   18   15   35 o  972.225  199.755   18.624   5.8777   12.624   10.209   21.600   7.1886  710.614  290.090  1012.47  231.753 -301.8550 371.2974 
1 1 1   18   15   37 o  327.818  157.974  -4.8307   4.8269   7.4798   9.4868  -9.1309   5.6069  593.072  261.585  314.340  155.365 278.7323 304.2448 
1 1 1   18   15   39 o  452.744  161.263   3.9036   2.8805   4.1811   3.2131   2.7673   6.5012  465.231  169.710  471.360  211.654 -6.129272 271.2912 
1 1 1   18   15   41 o  358.558  176.771  -6.8201   7.0983 -29.5387   11.893   5.7508   8.8468  ?   ?   505.477  234.378 0.000000 234.3781 
1 1 1   18   16    0 o  1180.07  100.131   22.177   3.6650   23.904   4.3917   18.215   6.6520  1222.03  116.170  1038.35  211.771 183.6804 241.5423 
1 1 1   18   16    2 o  493.403  148.807   3.9320   2.4903   0.6416   2.9508   12.078   4.6426  372.664  154.437  849.791  180.073 -477.1263 237.2281 
1 1 1   18   16    4 o  2513.02  101.660   99.860   7.9995  111.764   9.7882   75.919   13.882  2654.09  117.779  2148.36  209.002 505.7368 239.9035 
1 1 1   18   16    6 f  1368.20  116.528   29.894   4.9447   29.894   4.9447   0.0000   0.0000  1368.20  116.528  ?   ?  0.000000 116.5277 
1 1 1   18   16    8 o  547.533  174.989   4.7527   3.3886   4.7527   3.3886   0.0000   0.0000  547.533  174.989  ?   ?  0.000000 174.9889 
1 1 1   18   16   10 o  1272.08   99.106   25.728   3.9165   26.304   4.6353   24.290   7.3220  1282.61  116.692  1207.88  200.634 74.73376 232.1011 
1 1 1   18   16   12 o  661.200  155.583   7.2845   3.1674   10.353   3.7760   0.0000   5.8183  789.999  158.165  489.721  210.517 300.2787 263.3127 
1 1 1   18   16   14 o  280.942  123.798  -0.5732   2.1199  -0.0001   2.3229  -3.4290   5.1850  313.610  133.863  397.870  182.656 -84.25974 226.4563 
1 1 1   18   16   16 o  406.572  148.114   2.1967   2.4462   1.6352   2.7153   4.6149   5.6352  394.979  153.341  594.448  223.301 -199.4689 270.8817 
1 1 1   18   16   18 o  427.476  150.860   2.6051   2.5152   3.7568   2.7869  -2.4525   5.8403  488.952  158.935  442.665  199.521 46.28745 255.0864 
1 1 1   18   16   20 o  652.777  148.124   7.1218   2.9582   7.1767   3.2874   6.8883   6.7824  653.440  161.577  680.868  246.844 -27.42798 295.0234 
1 1 1   18   16   22 o  1685.76  122.184   45.644   6.4057   50.667   8.4374   38.809   9.8420  1763.69  154.335  1514.93  213.392 248.7633 263.3541 
1 1 1   18   16   24 o  1081.67  165.549   19.492   5.4287   19.492   5.4287   0.0000   0.0000  1081.67  165.549  ?   ?  0.000000 165.5487 
1 1 1   18   16   26 o  1270.80  122.578   26.240   4.8171   24.782   6.0072   28.865   8.0624  1218.71  161.387  1293.46  205.972 -74.75256 261.6681 
1 1 1   18   16   28 o  729.291  185.096   9.3858   4.2340   9.3858   4.2340   0.0000   0.0000  729.291  185.096  ?   ?  0.000000 185.0956 
1 1 1   18   16   30 o  856.219  137.459   12.452   3.5606   11.103   3.9901   17.728   7.8898  794.050  165.829  943.499  259.127 -149.4489 307.6464 
1 1 1   18   16   32 o  525.508  163.626   4.8941   2.9808   2.8483   3.2414   16.107   7.5883  443.777  168.744  875.380  258.794 -431.6025 308.9480 
1 1 1   18   16   34 o  427.379  157.286   2.8851   2.7686   2.3136   2.9644   6.7865   7.7450  410.353  159.967  612.062  251.583 -201.7093 298.1334 
1 1 1   18   16   36 o  547.917  219.145   5.5442   5.6933   4.8605   11.113   5.7875   6.6293  588.649  269.195  561.825  232.045 26.82379 355.4025 
1 1 1   18   16   38 o  481.335  209.689   3.1316   5.9288   1.4392   10.665   3.8884   7.1324  522.611  247.064  511.812  226.224 10.79938 334.9894 
1 1 1   18   16   40 o  390.956  193.625  -9.0347   8.8705   0.0000   0.0000  -9.0347   8.8705  ?   ?   390.956  193.625 0.000000 193.6253 
1 1 1   18   17    1 o  430.470  167.312   1.9072   3.2355   3.4116   4.6163   0.4546   4.5362  532.578  201.651  447.000  188.774 85.57770 276.2217 
1 1 1   18   17    3 o  474.452  150.280   3.5413   2.5035   1.7177   2.9665   8.0544   4.6667  411.445  160.126  697.438  202.034 -285.9930 257.7942 
1 1 1   18   17    5 o  1065.50  105.649   18.111   3.4783   16.834   4.1876   20.954   6.2466  1020.88  134.258  1127.90  183.154 -107.0126 227.0918 
1 1 1   18   17    7 o  450.205  155.339   2.9541   2.6585   2.9541   2.6585   0.0000   0.0000  450.205  155.339  ?   ?  0.000000 155.3385 
1 1 1   18   17    9 o  925.674  114.948   13.772   3.2601   15.695   3.7796   8.1834   6.4431  986.917  125.115  720.960  241.945 265.9566 272.3806 
1 1 1   18   17   11 o  1110.50  113.456   19.734   3.8897   21.219   4.5748   15.860   7.3895  1148.32  129.492  962.039  244.723 186.2841 276.8709 
1 1 1   18   17   13 o  361.276  140.989   1.2939   2.3047   0.3338   2.5222   6.1505   5.6727  337.761  141.600  643.531  226.617 -305.7697 267.2189 
1 1 1   18   17   15 o  534.063  159.478   4.6460   2.8708   4.3542   3.2575   5.6608   6.0748  527.133  171.853  636.925  233.199 -109.7924 289.6812 
1 1 1   18   17   17 o  349.592  144.313   0.6210   2.5621   0.6210   2.5621   0.0000   0.0000  349.592  144.313  ?   ?  0.000000 144.3127 
1 1 1   18   17   19 o  860.676  148.315   12.204   3.8528   15.275   4.5858   4.8342   7.1037  962.556  157.607  638.338  247.965 324.2184 293.8142 
1 1 1   18   17   21 o  1257.66  118.862   25.418   4.6253   23.522   5.6684   29.194   8.0012  1198.74  154.620  1320.03  199.828 -121.2904 252.6628 
1 1 1   18   17   23 o  530.713  163.691   4.6020   2.9912   4.1392   3.3545   6.3979   6.6080  516.841  174.570  660.975  243.034 -144.1336 299.2329 
1 1 1   18   17   25 o  333.383  144.413  -0.2115   2.7801  -0.2115   2.7801   0.0000   0.0000  333.383  144.413  ?   ?  0.000000 144.4133 
1 1 1   18   17   27 o  601.410  169.273   6.2363   3.3224   6.2363   3.3224   0.0000   0.0000  601.410  169.273  ?   ?  0.000000 169.2726 
1 1 1   18   17   29 o  718.758  163.627   9.0545   3.6000   8.8740   3.9660   9.8993   8.5798  705.563  179.178  736.314  275.741 -30.75134 328.8435 
1 1 1   18   17   31 o  914.688  157.682   14.639   4.3531   14.639   4.3531   0.0000   0.0000  914.688  157.682  ?   ?  0.000000 157.6815 
1 1 1   18   17   33 o  609.072  162.768   6.7567   3.1636   8.3956   3.4179  -3.0431   8.3577  679.582  162.768  480.766  224.557 198.8156 277.3429 
1 1 1   18   17   35 o  503.061  174.371   4.5553   3.3518   4.5553   3.3518   0.0000   0.0000  503.061  174.371  ?   ?  0.000000 174.3706 
1 1 1   18   17   37 o  337.757  146.248   0.4380   2.8488   0.4380   2.8488   0.0000   0.0000  337.757  146.248  ?   ?  0.000000 146.2478 
1 1 1   18   17   39 o  513.497  246.522   0.3811   11.491   0.3811   11.491   0.0000   0.0000  513.497  246.522  ?   ?  0.000000 246.5224 
1 1 1   18   18    0 o  1238.06  192.660   25.185   7.2259   25.185   7.2259   0.0000   0.0000  1238.06  192.660  ?   ?  0.000000 192.6599 
1 1 1   18   18    2 o  431.568  171.217   1.6440   3.4486   1.8604   4.9966   1.4471   4.7656  503.001  203.840  482.946  197.793 20.05435 284.0296 
1 1 1   18   18    4 f  941.230  223.334   14.939   6.4831   14.939   6.4831   0.0000   0.0000  941.230  223.334  ?   ?  0.000000 223.3340 
1 1 1   18   18    8 o  1263.34  108.315   25.405   4.2433   25.521   5.0402   25.122   7.8634  1261.89  129.388  1228.92  212.007 32.97156 248.3712 
1 1 1   18   18   10 o  1488.32  120.561   35.327   5.5703   34.625   7.2443   36.344   8.7123  1463.01  160.789  1489.74  191.182 -26.72595 249.8071 
1 1 1   18   18   12 f  758.348  162.305   9.5478   3.7376   15.864   4.4425  -5.7563   6.9151  986.754  148.373  442.574  205.892 544.1801 253.7833 
1 1 1   18   18   14 o  378.635  146.704   1.4871   2.4816   2.0705   2.7067  -1.5881   6.2145  413.076  154.840  476.539  210.873 -63.46335 261.6154 
1 1 1   18   18   16 o  321.741  137.343  -0.0067   2.4456   2.3631   2.6680 -12.4682   6.1181  423.619  154.629  335.870  165.299 87.74911 226.3489 
1 1 1   18   18   18 o  271.372  123.281  -1.3346   2.2823  -0.1633   2.4252 -10.4010   6.7474  315.163  135.702  381.509  184.569 -66.34631 229.0864 
1 1 1   18   18   20 o  383.556  146.304   1.6761   2.4414   2.2926   2.6029  -2.8345   7.0407  417.051  152.655  486.149  219.099 -69.09811 267.0355 
1 1 1   18   18   22 o  683.390  151.363   7.8206   3.1536   8.2432   3.4508   5.6796   7.7674  699.990  160.818  669.391  259.496 30.59937 305.2878 
1 1 1   18   18   24 o  477.471  156.686   3.6139   2.7062   3.5420   2.9355   4.0211   6.9855  479.432  163.297  605.156  242.494 -125.7241 292.3511 
1 1 1   18   18   26 o  620.583  177.643   6.6414   3.6273   6.6414   3.6273   0.0000   0.0000  620.583  177.643  ?   ?  0.000000 177.6426 
1 1 1   18   18   28 o  593.979  172.727   6.1512   3.4052   8.2865   3.7356  -4.3412   8.2808  685.996  173.727  487.303  226.236 198.6925 285.2435 
1 1 1   18   18   30 o  1095.26  155.521   20.639   5.1838   20.639   5.1838   0.0000   0.0000  1095.26  155.521  ?   ?  0.000000 155.5213 
1 1 1   18   18   32 o  269.071  125.712  -2.1465   2.6221  -2.1465   2.6221   0.0000   0.0000  269.071  125.712  ?   ?  0.000000 125.7116 
1 1 1   18   18   34 o  1138.28  143.576   22.592   5.0035   22.592   5.0035   0.0000   0.0000  1138.28  143.576  ?   ?  0.000000 143.5760 
1 1 1   18   18   36 o  447.683  217.900  -8.5879   9.7789   0.0000   0.0000  -8.5879   9.7789  ?   ?   447.683  217.900 0.000000 217.9000 
1 1 1   18   18   38 o  667.242  265.703   11.421   8.3335   20.286   12.983   5.2104   10.868  762.805  320.602  574.106  263.886 188.7000 415.2367 
1 1 1   18   19    1 o  479.508  168.541   3.2534   3.1366   3.2534   3.1366   0.0000   0.0000  479.508  168.541  ?   ?  0.000000 168.5412 
1 1 1   18   19    3 o  292.530  135.485  -2.4567   2.9439  -1.5022   3.4867  -4.8266   5.4943  347.058  155.478  393.723  183.286 -46.66470 240.3478 
1 1 1   18   19    5 o  519.701  212.529   1.7526   5.4919   0.0000   0.0000   1.7526   5.4919  ?   ?   519.701  212.529 0.000000 212.5286 
1 1 1   18   19    7 o  1083.18  231.956   19.761   7.6300   0.0000   0.0000   19.761   7.6300  ?   ?   1083.18  231.956 0.000000 231.9562 
1 1 1   18   19    9 o  725.214  249.352   8.0246   6.8474   0.0000   0.0000   8.0246   6.8474  ?   ?   725.214  249.352 0.000000 249.3522 
1 1 1   18   19   11 o  657.997  164.689   7.1897   3.3852   7.1897   3.3852   0.0000   0.0000  657.997  164.689  ?   ?  0.000000 164.6886 
1 1 1   18   19   13 o  554.219  157.150   5.0348   2.8526   4.5987   3.1403   7.0937   6.8228  537.362  168.049  697.255  248.207 -159.8933 299.7455 
1 1 1   18   19   15 o  332.640  140.099   0.2325   2.4876  -0.1234   2.6910   2.3244   6.5239  333.984  143.357  567.852  231.863 -233.8672 272.6015 
1 1 1   18   19   17 o  582.471  156.308   5.6213   2.9102   5.6987   3.2090   5.2628   6.9069  587.735  166.687  647.918  246.335 -60.18274 297.4315 
1 1 1   18   19   19 o  296.029  130.582  -0.6519   2.3647  -1.1455   2.5286   2.7877   6.6752  293.694  131.930  579.529  235.341 -285.8345 269.7980 
1 1 1   18   19   21 o  837.495  135.065   11.511   3.4215   11.052   3.8274   13.340   7.6343  814.576  155.731  873.896  259.865 -59.32001 302.9555 
1 1 1   18   19   23 o  389.971  154.542   1.4532   2.8067   1.4532   2.8067   0.0000   0.0000  389.971  154.542  ?   ?  0.000000 154.5420 
1 1 1   18   19   25 o  722.775  155.401   8.8896   3.4124   8.8896   3.4124   0.0000   0.0000  722.775  155.401  ?   ?  0.000000 155.4011 
1 1 1   18   19   27 f  418.536  162.698   2.0567   3.0599   2.0567   3.0599   0.0000   0.0000  418.536  162.698  ?   ?  0.000000 162.6984 
1 1 1   18   19   29 o  661.548  179.433   7.7941   3.8110   7.7941   3.8110   0.0000   0.0000  661.548  179.433  ?   ?  0.000000 179.4332 
1 1 1   18   19   31 o  444.665  170.969   2.6797   3.3506   3.1726   3.6691   0.2051   8.2212  471.178  179.445  534.246  239.081 -63.06818 298.9323 
1 1 1   18   19   33 o  354.334  150.568   0.5767   2.9149   0.8188   3.0794  -1.5092   9.0401  369.402  155.744  520.284  239.713 -150.8819 285.8644 
1 1 1   18   19   35 o  358.645  150.738   0.8951   2.8701  -0.5880   3.0055   16.251   9.6708  324.080  144.827  814.264  294.825 -490.1839 328.4762 
1 1 1   18   19   37 o  918.103  281.010   20.996   8.8346   12.583   12.826   28.590   12.186  691.962  304.735  977.821  332.716 -285.8587 451.1798 
1 1 1   18   20    0 o  921.604  246.675   14.284   7.2592   0.0000   0.0000   14.284   7.2592  ?   ?   921.604  246.675 0.000000 246.6751 
1 1 1   18   20    2 o  716.304  240.260   7.9138   6.3536   0.0000   0.0000   7.9138   6.3536  ?   ?   716.304  240.260 0.000000 240.2605 
1 1 1   18   20    4 o  415.983  181.584  -0.7896   4.4660  -1.8102   6.2349   0.2858   6.4001  476.527  211.026  522.947  222.682 -46.42007 306.7882 
1 1 1   18   20    6 o  643.850  178.772   6.8255   3.7322   9.7531   4.3729  -1.0278   7.1620  765.786  184.539  527.272  230.063 238.5139 294.9299 
1 1 1   18   20    8 f  818.718  197.146   11.187   4.9936   16.140   7.0929   6.3199   7.0315  978.526  234.546  683.691  250.805 294.8351 343.3877 
1 1 1   18   20   10 o  530.469  204.838   3.0589   4.8253  -4.9912   6.7048   11.708   6.9497  445.929  205.803  838.831  247.573 -392.9016 321.9436 
1 1 1   18   20   12 o  914.674  199.445   13.972   5.5512   22.593   8.4465   7.4173   7.3653  1157.35  240.909  718.600  257.665 438.7497 352.7441 
1 1 1   18   20   14 o  1257.28  129.543   25.333   5.0269   25.604   6.1703   24.799   8.6688  1256.46  160.501  1213.21  236.694 43.24365 285.9798 
1 1 1   18   20   16 o  1287.57  131.058   26.615   5.2102   28.419   6.3660   22.954   9.0678  1324.18  156.562  1156.60  257.050 167.5844 300.9756 
1 1 1   18   20   18 o  1052.55  147.559   18.066   4.7296   18.066   4.7296   0.0000   0.0000  1052.55  147.559  ?   ?  0.000000 147.5589 
1 1 1   18   20   20 o  1187.54  159.465   23.180   5.7798   23.180   5.7798   0.0000   0.0000  1187.54  159.465  ?   ?  0.000000 159.4648 
1 1 1   18   20   22 f  757.067  168.214   9.7210   3.8840   9.7210   3.8840   0.0000   0.0000  757.067  168.214  ?   ?  0.000000 168.2137 
1 1 1   18   20   24 o  900.934  155.149   13.633   4.2189   13.633   4.2189   0.0000   0.0000  900.934  155.149  ?   ?  0.000000 155.1494 
1 1 1   18   20   26 o  869.955  138.285   12.641   3.6409   11.930   3.9830   16.254   8.9792  837.146  157.733  920.678  283.553 -83.53156 324.4717 
1 1 1   18   20   28 o  685.246  178.669   8.2880   3.8732   8.2880   3.8732   0.0000   0.0000  685.246  178.669  ?   ?  0.000000 178.6690 
1 1 1   18   20   30 o  638.264  169.055   7.2184   3.4323   9.3414   3.7208  -4.9018   8.8905  727.502  166.886  493.273  230.791 234.2287 284.8072 
1 1 1   18   20   32 o  622.020  174.768   6.9875   3.5449   5.2674   3.8079   18.163   9.7059  549.990  185.994  908.827  296.659 -358.8363 350.1430 
1 1 1   18   20   34 o  328.810  145.125  -0.3234   2.9249   1.4601   3.0736 -17.4266   9.5180  388.367  158.927  395.494  196.670 -7.126923 252.8572 
1 1 1   18   20   36 o  581.392  253.180   4.7697   8.6357  -7.5804   12.705   15.376   11.774  518.804  251.555  765.269  311.863 -246.4655 400.6729 
1 1 1   18   21    1 o  465.566  197.389   0.2836   4.9910   0.1439   6.8446   0.4423   7.2933  538.192  229.756  560.399  238.150 -22.20697 330.9128 
1 1 1   18   21    3 o  637.949  219.381   6.0253   5.3004   3.3533   7.1848   9.2160   7.8513  617.144  246.410  779.290  267.052 -162.1456 363.3659 
1 1 1   18   21    5 o  683.905  224.841   7.2699   5.5716   6.5139   7.8609   8.0331   7.8982  709.792  264.303  748.752  266.998 -38.95947 375.6919 
1 1 1   18   21    7 o  756.449  265.603   8.4261   7.7887   8.4261   7.7887   0.0000   0.0000  756.449  265.603  ?   ?  0.000000 265.6035 
1 1 1   18   21    9 o  1117.97  184.744   20.483   6.2413   18.972   9.5311   21.618   8.2582  1055.83  282.673  1134.72  239.926 -78.88806 370.7672 
1 1 1   18   21   11 o  821.335  170.251   11.152   4.2347   8.6069   4.9574   18.022   8.1452  722.179  207.950  1030.72  254.010 -308.5461 328.2750 
1 1 1   18   21   15 o  661.478  264.710   4.2002   8.3119   4.2002   8.3119   0.0000   0.0000  661.478  264.710  ?   ?  0.000000 264.7095 
1 1 1   18   21   17 o  276.990  128.719  -2.3351   2.6909  -2.3351   2.6909   0.0000   0.0000  276.990  128.719  ?   ?  0.000000 128.7186 
1 1 1   18   21   19 o  785.265  167.601   10.355   3.9956   10.355   3.9956   0.0000   0.0000  785.265  167.601  ?   ?  0.000000 167.6007 
1 1 1   18   21   21 o  295.148  135.559  -1.9614   2.8603  -1.9614   2.8603   0.0000   0.0000  295.148  135.559  ?   ?  0.000000 135.5589 
1 1 1   18   21   23 o  995.913  134.545   16.299   4.0883   19.926   4.5895   2.3579   8.9973  1102.30  135.841  623.264  264.680 479.0400 297.5035 
1 1 1   18   21   25 o  813.226  151.292   11.157   3.7107   10.562   4.0489   14.281   9.2746  784.277  169.796  875.669  290.196 -91.39160 336.2201 
1 1 1   18   21   27 o  627.746  243.696   5.6515   6.8578   3.3473   10.070   7.6444   9.3652  648.735  277.858  712.998  282.380 -64.26300 396.1611 
1 1 1   18   21   29 o  547.429  167.451   5.1450   3.1376   4.9070   3.3231   7.1000   9.5232  538.304  173.420  693.380  281.264 -155.0757 330.4303 
1 1 1   18   21   31 o  376.410  150.049   1.4696   2.6603   1.2767   2.7609   3.9714   9.9441  374.013  151.538  634.039  273.887 -260.0264 313.0144 
1 1 1   18   21   33 o  273.245  125.723  -1.5390   2.4753  -1.6351   2.5410   0.2490   10.960  275.318  126.935  588.098  268.315 -312.7796 296.8255 
1 1 1   18   22    0 o  783.556  242.809   9.9024   6.5727   17.204   8.9248   1.2487   9.7160  1011.94  274.640  655.790  276.575 356.1508 389.7702 
1 1 1   18   22    2 o  1474.86  169.351   34.995   7.6790   34.836   10.393   35.185   11.395  1453.61  236.471  1454.04  259.821 -0.4323730 351.3194 
1 1 1   18   22    4 o  1002.54  231.809   16.808   7.1317   2.9437   10.177   30.184   9.9967  697.515  287.747  1347.58  245.974 -650.0630 378.5522 
1 1 1   18   22    6 o  847.560  290.694   11.003   9.3034   11.003   9.3034   0.0000   0.0000  847.560  290.694  ?   ?  0.000000 290.6944 
1 1 1   18   22    8 o  772.332  292.370   7.4987   9.7030   7.4987   9.7030   0.0000   0.0000  772.332  292.370  ?   ?  0.000000 292.3697 
1 1 1   18   22   10 o  875.624  288.864   12.315   9.1935   12.315   9.1935   0.0000   0.0000  875.624  288.864  ?   ?  0.000000 288.8637 
1 1 1   18   22   14 o  1409.29  166.340   32.278   7.1988   44.556   10.594   21.746   9.8122  1642.47  210.860  1118.41  280.642 524.0518 351.0301 
1 1 1   18   22   16 o  758.197  233.130   9.6051   6.0725   18.435   9.0020   2.2320   8.2261  1026.25  274.699  616.002  256.781 410.2524 376.0268 
1 1 1   18   22   18 o  872.387  228.979   13.149   6.3340   8.3590   9.4641   17.036   8.5247  766.030  289.046  982.503  269.149 -216.4727 394.9538 
1 1 1   18   22   20 o  457.521  166.375   2.8756   3.0845   2.0888   3.3361   7.5093   8.0963  437.412  169.925  717.346  268.011 -279.9342 317.3398 
1 1 1   18   22   22 o  728.611  181.740   9.0946   4.1325   12.154   4.6747  -1.8451   8.8402  843.476  182.312  555.855  248.395 287.6213 308.1197 
1 1 1   18   22   24 o  445.703  165.941   2.6368   3.0984   2.0558   3.3301   6.3815   8.4546  433.101  169.350  686.467  269.433 -253.3661 318.2349 
1 1 1   18   22   26 o  619.444  170.679   6.6016   3.4165   5.2846   3.6943   14.383   8.9800  563.982  182.971  875.746  285.325 -311.7642 338.9529 
1 1 1   18   22   28 o  457.171  167.684   2.9892   3.1430   3.1179   3.3586   2.0823   8.9149  468.554  173.099  601.266  259.529 -132.7124 311.9595 
1 1 1   18   22   30 o  375.067  155.823   0.8935   3.0148   1.3691   3.1418  -4.6339   10.711  396.208  161.241  549.844  255.945 -153.6364 302.5000 
1 1 1   18   22   32 o  269.526  125.751  -2.1582   2.6095  -2.1767   2.6794  -1.8184   11.492  273.721  127.614  586.247  270.165 -312.5259 298.7886 
1 1 1   18   23    1 o  598.339  265.029  -2.7246   9.8397  -2.7246   9.8397   0.0000   0.0000  598.339  265.029  ?   ?  0.000000 265.0286 
1 1 1   18   23    5 o  1440.45  261.069   34.669   11.342   34.669   11.342   0.0000   0.0000  1440.45  261.069  ?   ?  0.000000 261.0694 
1 1 1   18   23    7 o  413.479  191.622  -4.8187   5.9023  -6.9923   9.0221  -3.1924   7.8041  512.281  237.234  517.116  232.068 -4.835327 331.8670 
1 1 1   18   23    9 o  675.977  238.430   6.6549   6.2820   2.7017   9.4577   9.7759   8.4035  668.564  276.729  799.063  276.151 -130.4995 390.9451 
1 1 1   18   23   11 o  1292.54  182.864   27.337   7.1944   18.174   10.674   34.965   9.7390  1028.68  307.592  1451.78  221.232 -423.1000 378.8882 
1 1 1   18   23   13 o  964.849  232.669   15.866   6.9477   27.676   9.9742   4.7351   9.6832  1271.17  259.371  706.681  284.680 564.4885 385.1178 
1 1 1   18   23   15 o  644.771  270.963   2.1257   9.2723   2.1257   9.2723   0.0000   0.0000  644.771  270.963  ?   ?  0.000000 270.9627 
1 1 1   18   23   17 f  883.698  233.384   13.475   6.5538   35.787   9.7666  -4.8018   8.8395  1456.85  221.037  523.981  239.790 932.8703 326.1243 
1 1 1   18   23   19 o  405.195  189.328  -5.1579   5.9496   4.0595   8.8932 -12.6258   8.0049  663.066  270.722  408.846  198.569 254.2199 335.7380 
1 1 1   18   23   21 o  400.159  189.148  -6.4335   6.2471 -14.3395   9.3265  -0.0000   8.4133  440.176  213.912  573.518  249.821 -133.3420 328.8901 
1 1 1   18   23   23 o  1021.20  289.765   19.316   9.6950   0.0000   0.0000   19.316   9.6950  ?   ?   1021.20  289.765 0.000000 289.7653 
1 1 1   18   23   25 o  608.748  185.427   6.2769   3.8528   7.0184   4.2178   2.5397   9.4687  640.859  193.744  635.086  270.654 5.773254 332.8518 
1 1 1   18   23   27 o  329.890  146.961  -0.9270   3.0688  -1.4714   3.2166   4.5917   10.242  325.733  147.327  678.686  284.974 -352.9531 320.8047 
1 1 1   18   23   29 o  876.628  168.400   13.265   4.4545   13.265   4.4545   0.0000   0.0000  876.628  168.400  ?   ?  0.000000 168.3996 
1 1 1   18   24    0 o  1612.83  264.393   43.238   12.889   43.238   12.889   0.0000   0.0000  1612.83  264.393  ?   ?  0.000000 264.3934 
1 1 1   18   24    2 o  561.063  231.029   1.7889   6.5455  -3.9099   9.5668   6.8043   8.9750  571.377  256.645  742.299  281.142 -170.9214 380.6672 
1 1 1   18   24    4 o  1274.69  201.576   26.657   7.7780   40.391   11.965   16.608   10.236  1557.93  254.037  995.759  301.992 562.1672 394.6312 
1 1 1   18   24    6 o  1048.88  211.776   18.328   6.7157   16.866   10.520   19.333   8.7252  1001.37  306.663  1066.68  262.914 -65.30511 403.9382 
1 1 1   18   24    8 o  451.476  213.891  -9.0988   8.0747   0.0000   0.0000  -9.0988   8.0747  ?   ?   451.476  213.891 0.000000 213.8913 
1 1 1   18   24   10 o  1018.34  224.200   17.499   6.9555   19.083   10.507   16.264   9.2797  1051.09  302.772  975.784  285.537 75.31146 416.1759 
1 1 1   18   24   12 o  562.831  229.435   2.3430   6.3748   5.7939   9.7890  -0.1982   8.4003  730.294  288.867  581.518  251.464 148.7755 382.9861 
1 1 1   18   24   14 o  852.263  250.036   12.350   7.1075   11.963   11.172   12.612   9.2119  878.681  317.082  872.490  289.216 6.190613 429.1703 
1 1 1   18   24   16 o  818.930  251.837   11.352   7.0859  -0.5629   10.254   22.243   9.8031  628.593  274.750  1123.90  279.681 -495.3054 392.0570 
1 1 1   18   24   18 o  978.106  251.397   16.719   7.7416   9.9501   11.643   22.083   10.365  834.424  319.208  1110.15  293.644 -275.7241 433.7284 
1 1 1   18   24   20 o  692.864  253.027   7.1354   7.1451   7.4286   11.276   6.9387   9.2361  775.497  308.989  727.886  282.746 47.61041 418.8308 
1 1 1   18   24   22 o  280.903  132.170  -3.0763   2.9867  -3.5451   3.1668   0.6957   8.9836  284.021  134.380  601.454  260.067 -317.4329 292.7329 
1 1 1   18   24   24 o  826.858  310.339   11.104   10.880   0.0000   0.0000   11.104   10.880  ?   ?   826.858  310.339 0.000000 310.3394 
1 1 1   18   24   26 o  875.501  261.778   14.007   7.7314   22.961   11.278   6.0702   10.619  1088.28  313.741  718.675  294.900 369.6001 430.5806 
1 1 1   18   24   28 o  542.774  191.541   4.6038   4.0546   5.2757   4.3252  -0.2676   11.646  572.065  198.091  637.055  284.863 -64.99060 346.9684 
1 1 1   18   25    1 o  731.375  251.737   8.0464   6.9799  -7.1313   10.521   19.978   9.3284  563.131  259.138  1084.43  274.475 -521.2985 377.4772 
1 1 1   18   25    3 o  592.659  255.967  -0.3831   8.6824   0.0000   0.0000  -0.3831   8.6824  ?   ?   592.659  255.967 0.000000 255.9671 
1 1 1   18   25    5 o  467.853  210.807  -2.9972   6.5136 -25.2696   10.331   11.696   8.3914  409.891  204.002  850.531  275.742 -440.6409 343.0019 
1 1 1   18   25    7 o  1128.46  279.632   21.853   9.8305   0.0000   0.0000   21.853   9.8305  ?   ?   1128.46  279.632 0.000000 279.6322 
1 1 1   18   25    9 o  527.022  226.575  -0.0736   6.7410   6.8798   10.423  -5.0724   8.8379  769.249  299.938  526.873  240.601 242.3759 384.5149 
1 1 1   18   25   11 o  420.175  197.387  -6.5434   6.6163   6.0329   10.376 -15.1611   8.5890  749.703  297.129  414.219  202.180 335.4840 359.3922 
1 1 1   18   25   13 o  529.630  247.982  -9.0077   10.297  -9.0077   10.297   0.0000   0.0000  529.630  247.982  ?   ?  0.000000 247.9825 
1 1 1   18   25   15 o  1155.15  219.489   22.532   7.6488   33.925   11.631   13.851   10.153  1399.64  275.205  910.257  303.719 489.3846 409.8574 
1 1 1   18   25   17 o  837.863  323.741   9.5357   12.059   9.5357   12.059   0.0000   0.0000  837.863  323.741  ?   ?  0.000000 323.7406 
1 1 1   18   25   19 o  522.963  230.180  -1.1188   7.3089 -13.1813   11.832   6.3242   9.2941  533.815  254.609  720.271  282.559 -186.4567 380.3492 
1 1 1   18   25   21 o  709.956  294.013   4.3683   10.684   0.0000   0.0000   4.3683   10.684  ?   ?   709.956  294.013 0.000000 294.0128 
1 1 1   18   25   23 o  353.225  175.234 -16.5415   7.3813 -25.0703   11.530 -10.6190   9.6082  439.226  218.088  481.404  229.564 -42.17862 316.6415 
1 1 1   18   25   25 o  739.021  197.363   9.4554   4.6533   16.490   5.0759 -27.5823   11.647  989.510  169.947  426.992  213.168 562.5173 272.6214 
1 1 1   18   26    0 o  998.640  251.877   16.837   7.8751   26.010   12.561   10.897   10.109  1227.55  322.569  855.021  302.360 372.5272 442.1227 
1 1 1   18   26    2 o  481.404  218.263  -3.7429   7.1090   24.135   11.032 -23.5377   9.2963  1186.21  297.540  385.114  191.967 801.0925 354.0919 
1 1 1   18   26    4 o  512.085  225.745  -1.6670   7.0562  -2.6635   11.261  -1.0229   9.0539  640.250  283.564  594.240  258.993 46.01013 384.0388 
1 1 1   18   26    6 o  460.929  211.794  -4.7848   6.9926 -33.0046   11.521   11.674   8.7986  408.266  204.987  853.914  282.635 -445.6479 349.1450 
1 1 1   18   26    8 o  495.402  222.561  -2.9759   7.1981  -9.8971   11.667   1.2774   9.1462  568.370  265.423  633.482  267.818 -65.11115 377.0617 
1 1 1   18   26   10 o  648.536  288.976  -3.1445   11.872  -3.1445   11.872   0.0000   0.0000  648.536  288.976  ?   ?  0.000000 288.9759 
1 1 1   18   26   12 o  834.218  264.357   11.499   7.7463   10.578   12.280   12.107   9.9830  872.762  329.268  873.054  301.027 -0.2921143 446.1331 
1 1 1   18   26   14 o  668.631  260.312   5.1166   7.8422   11.764   11.746  -0.2306   10.534  885.264  324.243  646.060  280.482 239.2042 428.7236 
1 1 1   18   26   16 o  1092.41  254.554   20.603   8.5459   17.139   13.698   22.810   10.935  1010.35  352.375  1135.78  302.184 -125.4318 464.2020 
1 1 1   18   26   18 o  565.781  256.475  -4.1714   9.8113   0.0000   0.0000  -4.1714   9.8113  ?   ?   565.781  256.475 0.000000 256.4747 
1 1 1   18   26   20 f  821.377  316.098   9.4139   11.460   0.0000   0.0000   9.4139   11.460  ?   ?   821.377  316.098 0.000000 316.0979 
1 1 1   18   26   22 o  767.620  303.878   7.4317   10.841   0.0000   0.0000   7.4317   10.841  ?   ?   767.620  303.878 0.000000 303.8783 
1 1 1   18   27    1 o  648.905  259.750   3.7133   8.0059   7.7152   13.377   1.4800   9.9931  852.320  337.510  665.267  280.527 187.0535 438.8716 
1 1 1   18   27    3 o  750.612  271.848   7.9044   8.2229   6.9764   14.075   8.3853   10.132  853.386  343.420  799.369  299.586 54.01709 455.7290 
1 1 1   18   27    5 o  566.524  244.145  -0.2570   7.8641  -0.8031   13.902  -0.0000   9.5366  737.340  321.155  626.142  269.349 111.1980 419.1538 
1 1 1   18   27    7 o  640.340  261.456   2.9626   8.2954  -4.6634   15.468   6.0415   9.8283  730.791  327.424  742.404  290.757 -11.61310 437.8885 
1 1 1   18   27    9 f  643.797  260.346   3.4105   8.1322  -7.9988   14.029   9.1840   9.9799  657.022  301.194  810.495  298.573 -153.4733 424.1035 
1 1 1   18   27   11 o  663.422  298.815  -4.7862   13.073  -4.7862   13.073   0.0000   0.0000  663.422  298.815  ?   ?  0.000000 298.8152 
1 1 1   18   27   13 o  614.406  273.745  -2.9048   10.651   0.0000   0.0000  -2.9048   10.651  ?   ?   614.406  273.745 0.000000 273.7448 
1 1 1   18   27   15 o  599.485  266.534  -2.4932   10.043   0.0000   0.0000  -2.4932   10.043  ?   ?   599.485  266.534 0.000000 266.5335 
1 1 1   18   27   17 o  908.341  316.061   13.390   11.017   0.0000   0.0000   13.390   11.017  ?   ?   908.341  316.061 0.000000 316.0614 
1 1 1   18   27   19 f  912.899  285.492   14.334   9.0632  -4.9188   13.677   29.408   12.102  667.806  302.761  1283.88  305.461 -616.0687 430.0822 
1 1 1   18   28    0 o  888.496  313.642   11.796   10.872   0.0000   0.0000   11.796   10.872  ?   ?   888.496  313.642 0.000000 313.6419 
1 1 1   18   28    2 o  1177.79  309.930   23.760   11.585   0.0000   0.0000   23.760   11.585  ?   ?   1177.79  309.930 0.000000 309.9299 
1 1 1   18   28    4 o  770.166  282.091   8.1372   8.8903   10.932   16.133   6.9183   10.654  955.015  372.931  781.214  303.614 173.8014 480.8942 
1 1 1   18   28    6 o  374.827  185.800 -19.0028   8.2341 -54.9315   15.532  -4.9574   9.7111  435.995  221.028  561.566  254.798 -125.5714 337.3063 
1 1 1   18   28    8 o  543.489  251.723  -7.7305   10.163   0.0000   0.0000  -7.7305   10.163  ?   ?   543.489  251.723 0.000000 251.7233 
1 1 1   18   28   10 o  741.689  297.263   5.2014   10.500   0.0000   0.0000   5.2014   10.500  ?   ?   741.689  297.263 0.000000 297.2628 
1 1 1   18   28   12 f  770.615  304.732   6.3614   10.891   0.0000   0.0000   6.3614   10.891  ?   ?   770.615  304.732 0.000000 304.7319 
1 1 1   18   28   14 o  712.597  296.391   3.1437   10.925   0.0000   0.0000   3.1437   10.925  ?   ?   712.597  296.391 0.000000 296.3911 
1 1 1   18   29    1 f  938.288  322.978   13.600   11.490   0.0000   0.0000   13.600   11.490  ?   ?   938.288  322.978 0.000000 322.9783 
1 1 1   18   29    3 o  728.694  305.992   2.1931   11.810   0.0000   0.0000   2.1931   11.810  ?   ?   728.694  305.992 0.000000 305.9919 
1 1 1   18   29    5 o  581.641  264.597  -5.7226   10.560   0.0000   0.0000  -5.7226   10.560  ?   ?   581.641  264.597 0.000000 264.5970 
1 1 1   18   29    7 o  532.065  253.188 -13.7433   11.559   0.0000   0.0000 -13.7433   11.559  ?   ?   532.065  253.188 0.000000 253.1879 
1 1 1   18   29    9 o  690.083  273.776   4.6348   8.8172   3.1779   14.568   5.4769   11.076  807.103  339.436  762.467  305.414 44.63611 456.6118 
1 1 1   18   30    0 o  1055.09  328.370   18.437   12.006   0.0000   0.0000   18.437   12.006  ?   ?   1055.09  328.370 0.000000 328.3695 
1 1 1   18   30    2 f  677.070  275.183   3.3880   9.1361  -6.0172   15.405   8.4905   11.347  721.674  324.776  829.952  315.689 -108.2782 452.9224 
1 1 1   19    0    1 o  676.614  118.492   7.8452   2.2801   7.8452   2.2801   7.8452   2.2801  676.614  118.492  676.614  118.492 -0.000000 0.000000 
1 1 1   19    0    3 o  1400.53  101.484   31.397   4.3968   31.397   4.3968   31.397   4.3968  1400.53  101.484  1400.53  101.484 -0.000000 0.000000 
1 1 1   19    0    5 o  841.846  168.481   12.520   3.9401   12.520   3.9401   12.520   3.9401  841.846  168.481  841.846  168.481 -0.000000 0.000000 
1 1 1   19    0    7 o  3388.93  138.426  183.370   14.633  183.370   14.633  183.370   14.633  3388.93  138.426  3388.93  138.426 -0.000000 0.000000 
1 1 1   19    0    9 o  1078.07  103.345   18.844   3.4150   18.844   3.4150   18.844   3.4150  1078.07  103.345  1078.07  103.345 -0.000000 0.000000 
1 1 1   19    0   11 o  1161.39  101.754   21.776   3.6350   21.776   3.6350   21.776   3.6350  1161.39  101.754  1161.39  101.754 -0.000000 0.000000 
1 1 1   19    0   13 o  743.481  183.788   10.279   3.7038   10.279   3.7038   10.279   3.7038  743.481  183.788  743.481  183.788 -0.000000 0.000000 
1 1 1   19    0   15 o  1993.32  109.618   63.465   6.7946   63.465   6.7946   63.465   6.7946  1993.32  109.618  1993.32  109.618 -0.000000 0.000000 
1 1 1   19    0   17 o  1788.60  108.311   51.238   6.0151   51.238   6.0151   51.238   6.0151  1788.60  108.311  1788.60  108.311 -0.000000 0.000000 
1 1 1   19    0   19 o  2111.30  112.627   71.352   7.3974   71.352   7.3974   71.352   7.3974  2111.30  112.627  2111.30  112.627 -0.000000 0.000000 
1 1 1   19    0   21 o  453.531  163.630   4.3472   2.1297   4.3472   2.1297   4.3472   2.1297  453.531  163.630  453.531  163.630 -0.000000 0.000000 
1 1 1   19    0   23 o  251.503  146.234   1.2418   1.8946   1.2418   1.8946   1.2418   1.8946  251.503  146.234  251.503  146.234 -0.000000 0.000000 
1 1 1   19    0   25 o  1801.70  158.510   53.081   8.7833   53.081   8.7833   53.081   8.7833  1801.70  158.510  1801.70  158.510 -0.000000 0.000000 
1 1 1   19    0   27 o  178.136  118.509  -0.5047   1.7752  -0.5047   1.7752  -0.5047   1.7752  178.136  118.509  178.136  118.509 -0.000000 0.000000 
1 1 1   19    0   29 o  267.632  155.303   1.4187   2.1304   1.4187   2.1304   1.4187   2.1304  267.632  155.303  267.632  155.303 -0.000000 0.000000 
1 1 1   19    0   31 o  1829.55  112.692   53.592   6.3997   53.592   6.3997   53.592   6.3997  1829.55  112.692  1829.55  112.692 -0.000000 0.000000 
1 1 1   19    0   33 o  880.952  203.384   14.269   4.8826   14.269   4.8826   14.269   4.8826  880.952  203.384  880.952  203.384 -0.000000 0.000000 
1 1 1   19    0   35 o  354.773  204.215   2.6543   3.6377   2.6543   3.6377   2.6543   3.6377  354.773  204.215  354.773  204.215 -0.000000 0.000000 
1 1 1   19    0   37 o  908.520  217.392   15.469   5.3650   15.469   5.3650   15.469   5.3650  908.520  217.392  908.520  217.392 -0.000000 0.000000 
1 1 1   19    0   39 o  2364.44  122.908   90.176   9.0435   90.176   9.0435   90.176   9.0435  2364.44  122.908  2364.44  122.908 -0.000000 0.000000 
1 1 1   19    0   41 o  586.995  215.691   7.5929   3.6649   7.5929   3.6649   7.5929   3.6649  586.995  215.691  586.995  215.691 -0.000000 0.000000 
1 1 1   19    0   43 o  543.878  226.933   7.0100   3.8649   7.0100   3.8649   7.0100   3.8649  543.878  226.933  543.878  226.933 -0.000000 0.000000 
1 1 1   19    0   45 o  961.998  176.657   16.700   4.7918   16.700   4.7918   16.700   4.7918  961.998  176.657  961.998  176.657 -0.000000 0.000000 
1 1 1   19    0   47 o  665.579  241.719   10.065   4.6307   10.065   4.6307   10.065   4.6307  665.579  241.719  665.579  241.719 -0.000000 0.000000 
1 1 1   19    0   49 o  249.578  177.837  -7.2664   6.1176  -7.2664   6.1176  -7.2664   6.1176  249.578  177.837  249.578  177.837 -0.000000 0.000000 
1 1 1   19    1    0 o  2046.47   76.911   66.032   4.9285   66.223   6.9732   65.841   6.9667  2039.25  109.607  2033.27  109.831 5.975464 155.1664 
1 1 1   19    1    2 o  629.663   77.680   6.3484   1.4991   5.8175   2.1044   6.8954   2.1361  594.367  117.235  650.287  108.744 -55.92084 159.9044 
1 1 1   19    1    4 o  2462.90   82.389   95.891   6.3538   93.762   8.9806   98.024   8.9908  2423.05  118.365  2478.53  115.847 -55.47656 165.6228 
1 1 1   19    1    6 o  2675.50   98.829  113.798   8.2796  107.841   14.305  116.798   10.153  2554.72  179.976  2700.81  120.055 -146.0994 216.3438 
1 1 1   19    1    8 o  2560.88   83.892  103.911   6.7271  103.447   9.5082  104.376   9.5190  2539.64  119.566  2551.22  119.158 -11.58569 168.8038 
1 1 1   19    1   10 o  947.544   70.933   14.262   2.0893   12.759   2.9285   15.821   2.9817  887.400  107.591  992.266   97.215 -104.8658 145.0059 
1 1 1   19    1   12 o  1672.94   84.603   44.541   4.4174   41.218   7.6279   46.217   5.4186  1578.57  156.377  1697.88  102.399 -119.3083 186.9209 
1 1 1   19    1   14 o  1962.31   76.446   61.054   4.6972   57.523   6.6467   64.578   6.6390  1887.65  112.971  2003.89  106.185 -116.2395 155.0409 
1 1 1   19    1   16 o  275.064  108.338   0.7279   1.3714  -0.0964   1.6129   2.8791   2.6056  255.998  110.445  436.809  153.609 -180.8102 189.1930 
1 1 1   19    1   18 o  868.050   75.647   12.079   2.0356   13.040   2.8873   11.129   2.8703  892.820  105.307  820.552  114.860 72.26801 155.8279 
1 1 1   19    1   20 o  611.833   88.476   6.1179   1.6458   6.2188   2.3335   6.0181   2.3216  604.948  127.222  594.528  128.462 10.42017 180.7976 
1 1 1   19    1   22 o  1051.49   73.593   17.681   2.4078   18.600   3.3988   16.756   3.4114  1068.19  102.888  1010.69  109.549 57.49475 150.2900 
1 1 1   19    1   24 o  500.460  100.740   4.1729   1.5240   3.9845   2.1202   4.3744   2.1922  483.990  134.871  506.053  135.601 -22.06308 191.2534 
1 1 1   19    1   26 o  533.454  113.746   4.7924   1.8420   5.3882   2.2240   3.4913   3.2868  562.110  129.079  477.483  172.029 84.62671 215.0707 
1 1 1   19    1   28 o  926.083   95.314   13.970   2.7244   15.526   4.7025   13.184   3.3425  942.990  165.286  887.905  123.575 55.08466 206.3742 
1 1 1   19    1   30 o  740.711  105.691   9.1081   2.3818   7.2228   2.9529   12.619   4.0296  641.035  149.806  848.444  157.476 -207.4092 217.3492 
1 1 1   19    1   32 o  1275.72   91.638   26.499   3.6362   29.631   4.4929   20.554   6.1904  1339.54  108.036  1054.97  194.565 284.5653 222.5472 
1 1 1   19    1   34 o  2265.90   96.958   83.961   6.8793   87.022   8.4671   78.016   11.800  2279.91  119.017  2068.09  184.143 211.8220 219.2564 
1 1 1   19    1   36 o  462.290  157.285   3.7786   2.7233   3.3594   4.2161   4.0787   3.5673  472.088  188.666  484.412  178.500 -12.32452 259.7252 
1 1 1   19    1   38 o  458.491  169.111   3.9580   3.2031   0.0000   0.0000   3.9580   3.2031  ?   ?   458.491  169.111 0.000000 169.1112 
1 1 1   19    1   40 f  816.167  150.992   13.423   3.7167   12.178   5.3689   14.568   5.1502  668.082  220.764  765.366  209.010 -97.28473 304.0101 
1 1 1   19    1   42 o  764.042  128.557   11.626   2.9664   18.235   4.2074   5.0947   4.1830  924.803  150.465  441.941  183.572 482.8623 237.3576 
1 1 1   19    1   44 o  245.864  119.556  -2.4246   2.9254  -5.6077   3.4333   6.0088   5.5885  230.166  115.030  413.979  189.895 -183.8127 222.0179 
1 1 1   19    1   46 o  543.968  166.288   8.5427   3.0947   5.8066   4.5340   10.929   4.2345  386.994  174.986  534.922  194.873 -147.9279 261.9077 
1 1 1   19    1   48 f  628.293  164.942   11.999   3.2862   12.646   4.8546   11.452   4.4647  468.305  196.394  468.077  191.545 0.2277832 274.3358 
1 1 1   19    2    1 o  2020.43   76.610   64.386   4.8467   61.676   6.8460   67.109   6.8626  1966.32  111.651  2052.83  107.134 -86.51575 154.7372 
1 1 1   19    2    3 o  838.288   73.558   11.167   1.9113   12.037   2.6843   10.272   2.7221  865.162  100.988  795.704  112.379 69.45740 151.0886 
1 1 1   19    2    5 o  1329.39   71.118   27.959   2.9497   28.126   4.1574   27.790   4.1856  1326.47  100.849  1318.11  102.212 8.359985 143.5890 
1 1 1   19    2    7 o  4626.55  140.623  346.051   20.372  364.262   35.293  336.951   24.948  4594.62  246.208  4524.93  176.076 69.69238 302.6900 
1 1 1   19    2    9 o  2122.37   77.798   71.271   5.1702   75.093   7.3265   67.479   7.2971  2168.04  107.923  2049.82  114.141 118.2222 157.0844 
1 1 1   19    2   11 o  1298.33   83.112   26.838   3.3611   25.302   5.8334   27.601   4.1123  1235.82  154.094  1311.63  100.903 -75.80811 184.1912 
1 1 1   19    2   13 o  1301.24   71.049   26.862   2.8839   22.242   4.0611   31.562   4.0961  1171.94  112.032  1404.25   93.695 -232.3102 146.0476 
1 1 1   19    2   15 o  356.745  103.489   2.0863   1.2237   2.1538   1.7246   2.0179   1.7367  373.555  125.175  366.075  125.593 7.479706 177.3197 
1 1 1   19    2   17 o  2452.92   83.070   95.966   6.3804   92.611   9.0069   99.345   9.0396  2382.40  121.136  2473.67  116.706 -91.26245 168.2091 
1 1 1   19    2   19 o  1685.69   74.392   45.232   3.9267   47.294   5.5422   43.153   5.5641  1707.41  104.162  1627.52  109.825 79.88293 151.3648 
1 1 1   19    2   21 o  451.972  104.367   3.4306   1.4472   6.3884   2.0235   0.3335   2.0706  619.582  108.240  303.460  127.813 316.1221 167.4877 
1 1 1   19    2   23 o  673.216   83.880   7.3472   1.7299   8.1067   2.4791   6.6266   2.4149  696.992  117.789  625.547  127.613 71.44507 173.6643 
1 1 1   19    2   25 o  1436.21   75.156   32.918   3.3681   37.508   4.7606   28.319   4.7659  1522.26  100.438  1313.99  117.060 208.2695 154.2431 
1 1 1   19    2   27 o  1271.34   74.882   25.839   2.9678   21.140   4.1734   30.647   4.2212  1131.19  119.641  1374.81   98.713 -243.6112 155.1075 
1 1 1   19    2   29 o  1552.36   87.371   38.868   4.2297   39.409   5.1798   37.785   7.3272  1551.77  107.262  1480.62  160.621 71.15125 193.1430 
1 1 1   19    2   31 f  385.027  131.297   2.3536   1.8978   5.7835   3.1175   0.3344   2.3920  569.097  165.207  320.433  136.284 248.6644 214.1651 
1 1 1   19    2   33 o  1077.88   99.352   19.114   3.3155   25.502   5.6447   15.749   4.0966  1209.66  152.409  954.505  141.338 255.1523 207.8580 
1 1 1   19    2   35 o  1562.03   93.820   40.080   4.5676   37.449   5.6726   44.931   7.7024  1484.97  123.107  1590.23  156.723 -105.2546 199.2918 
1 1 1   19    2   37 o  1646.83   81.904   44.487   4.2235   44.570   5.9945   44.405   5.9516  1603.60  120.259  1601.54  119.541 2.057251 169.5651 
1 1 1   19    2   39 o  1094.96  128.117   22.071   4.3096   26.701   6.4536   18.345   5.7896  1110.80  192.521  888.254  211.244 222.5440 285.8117 
1 1 1   19    2   41 o  237.130  115.269  -3.1601   2.7130   0.0000   0.0000  -3.1601   2.7130  ?   ?   237.130  115.269 0.000000 115.2688 
1 1 1   19    2   43 o  607.791  203.097   11.351   4.5399   13.685   6.0793   8.4067   6.8263  583.359  228.617  458.472  210.146 124.8869 310.5273 
1 1 1   19    2   45 o  482.495  186.824   8.1546   4.0224   0.0000   0.0000   8.1546   4.0224  ?   ?   482.495  186.824 0.000000 186.8235 
1 1 1   19    2   47 f  303.363  140.952   1.8149   3.2247   5.0846   6.5596   0.7729   3.7030  342.955  169.238  291.158  139.824 51.79706 219.5272 
1 1 1   19    3    0 o  1549.39   71.520   37.825   3.4698   40.192   4.9286   35.499   4.8858  1589.41   99.533  1491.91  105.261 97.50098 144.8684 
1 1 1   19    3    2 f  940.921   71.460   14.035   2.0897   14.808   2.9341   13.240   2.9769  961.346   98.881  906.665  106.913 54.68066 145.6291 
1 1 1   19    3    4 o  1988.02   75.594   62.397   4.7057   63.745   6.6709   61.061   6.6389  1998.34  106.998  1955.02  108.881 43.32703 152.6557 
1 1 1   19    3    6 o  2058.19   76.731   66.944   4.9451   58.948   6.9768   75.017   7.0101  1916.34  116.827  2170.64  103.138 -254.2977 155.8397 
1 1 1   19    3    8 o  1275.58   82.237   25.870   3.2672   27.545   5.6648   25.035   3.9994  1297.59  141.728  1249.27  103.162 48.31140 175.2970 
1 1 1   19    3   10 o  1225.13   84.129   23.906   3.2078   20.110   5.6432   25.718   3.8990  1094.29  170.225  1266.86   99.078 -172.5695 196.9590 
1 1 1   19    3   12 o  924.730   72.767   13.608   2.0900   14.966   2.9708   12.276   2.9409  963.490   99.923  868.683  110.629 94.80731 149.0748 
1 1 1   19    3   14 o  1400.07   72.172   31.118   3.1532   29.812   4.4611   32.423   4.4576  1359.63  105.614  1420.01  100.910 -60.37537 146.0724 
1 1 1   19    3   16 o  826.042   75.131   10.921   1.9220   11.986   2.7006   9.8275   2.7361  858.018  102.551  771.266  116.964 86.75171 155.5550 
1 1 1   19    3   18 o  1010.97   85.803   16.449   2.6905   16.427   3.3300   16.492   4.5660  1002.53  107.772  984.426  153.104 18.09875 187.2315 
1 1 1   19    3   20 o  975.647   74.165   15.234   2.2488   14.596   3.2160   15.844   3.1456  942.343  111.129  985.242  103.512 -42.89893 151.8699 
1 1 1   19    3   22 o  1314.90   72.725   27.570   2.9827   27.295   4.2479   27.838   4.1889  1295.39  105.647  1309.47  102.994 -14.08044 147.5431 
1 1 1   19    3   24 o  666.669   86.384   7.2169   1.7609   7.4472   2.4690   6.9785   2.5120  666.102  122.905  642.181  129.398 23.92139 178.4639 
1 1 1   19    3   26 o  747.535   99.210   9.1481   2.2648   9.1651   2.7834   9.1149   3.8961  739.355  124.664  717.728  174.952 21.62628 214.8242 
1 1 1   19    3   28 o  960.252   91.246   14.958   2.7106   15.267   3.3384   14.360   4.6435  961.508  113.043  903.843  170.320 57.66571 204.4202 
1 1 1   19    3   30 o  981.112   93.346   15.685   2.8331   15.721   3.4857   15.615   4.8632  971.740  116.903  937.865  171.936 33.87408 207.9145 
1 1 1   19    3   32 o  1107.90  116.575   20.473   3.9834   0.0000   0.0000   20.473   3.9834  ?   ?   1107.90  116.575 0.000000 116.5751 
1 1 1   19    3   34 o  1238.47   95.574   25.171   3.6777   25.013   6.1945   25.257   4.5703  1176.49  173.346  1224.19  120.804 -47.69434 211.2875 
1 1 1   19    3   36 o  671.237  135.063   8.0305   2.7404   10.906   4.5669   6.4125   3.4258  740.683  194.442  579.137  174.502 161.5466 261.2635 
1 1 1   19    3   38 o  438.592  172.624   3.3459   3.4796   0.0000   0.0000   3.3459   3.4796  ?   ?   438.592  172.624 0.000000 172.6235 
1 1 1   19    3   40 o  1095.97  111.534   21.758   3.7742   15.543   6.6820   24.670   4.5737  705.603  246.108  1140.20  130.454 -434.5959 278.5453 
1 1 1   19    3   42 o  854.631  192.763   18.314   5.0355   7.1371   6.6940   32.883   7.6427  464.125  210.955  1054.12  237.270 -589.9977 317.4887 
1 1 1   19    3   44 o  680.492  163.106   11.336   3.4302   5.7844   6.3923   13.581   4.0650  406.785  191.991  712.496  181.654 -305.7111 264.3082 
1 1 1   19    3   46 o  612.174  200.142   13.509   4.4170   0.0000   0.0000   13.509   4.4170  ?   ?   612.174  200.142 0.000000 200.1419 
1 1 1   19    3   48 o  588.389  185.268   12.793   3.8095   11.379   7.1700   13.349   4.4966  365.656  179.761  523.023  198.781 -157.3669 268.0078 
1 1 1   19    4    1 o  1871.15   74.462   55.222   4.3627   53.030   6.1801   57.398   6.1596  1822.98  108.762  1898.32  104.021 -75.34778 150.4980 
1 1 1   19    4    3 o  1644.76   84.545   42.899   4.3395   41.339   5.3162   46.014   7.5121  1608.61  106.141  1683.85  143.856 -75.24072 178.7748 
1 1 1   19    4    5 o  939.856   71.362   14.017   2.0844   17.949   3.0023   10.357   2.8963  1060.13   91.334  796.308  119.873 263.8179 150.7031 
1 1 1   19    4    7 o  1026.07   71.396   16.699   2.2796   14.916   3.2848   18.356   3.1660  960.334  111.301  1070.78   95.428 -110.4454 146.6099 
1 1 1   19    4    9 f  1384.91  149.440   31.502   6.3777   0.0000   0.0000   31.502   6.3777  ?   ?   1384.91  149.440 0.000000 149.4401 
1 1 1   19    4   11 o  1592.04   72.738   40.074   3.6260   37.722   5.1323   42.418   5.1237  1532.21  107.657  1627.62  101.033 -95.41248 147.6399 
1 1 1   19    4   13 o  1612.77   73.581   41.178   3.7158   40.904   5.2647   41.450   5.2453  1594.66  106.041  1605.76  104.898 -11.09778 149.1587 
1 1 1   19    4   15 o  985.165   85.031   15.563   2.5973   12.824   3.1834   21.017   4.4923  883.634  118.001  1130.07  129.281 -246.4338 175.0361 
1 1 1   19    4   17 o  1549.27   72.490   38.115   3.5166   34.458   4.9677   41.788   4.9788  1456.19  109.754  1609.53   99.273 -153.3368 147.9901 
1 1 1   19    4   19 o  1018.53  102.744   16.893   3.2320   16.992   4.5247   16.791   4.6183  1001.25  148.850  992.900  153.498 8.346497 213.8171 
1 1 1   19    4   21 o  673.011   81.735   7.3270   1.6871   9.5111   2.4587   5.3836   2.3193  760.592  106.127  561.523  133.808 199.0687 170.7849 
1 1 1   19    4   23 o  746.462  114.019   9.2190   2.5805   7.7905   3.6589   10.633   3.6399  665.945  173.665  787.637  153.103 -121.6920 231.5167 
1 1 1   19    4   25 o  266.757  111.545   0.2824   1.5592   1.2445   2.2945  -0.5429   2.1252  352.286  139.692  278.401  123.249 73.88492 186.2908 
1 1 1   19    4   27 o  683.918  120.330   7.8451   2.4828   6.5307   3.5741   9.0709   3.4515  608.290  176.979  722.061  157.124 -113.7709 236.6627 
1 1 1   19    4   29 o  468.292  145.013   3.7180   2.3448   0.0000   0.0000   3.7180   2.3448  ?   ?   468.292  145.013 0.000000 145.0126 
1 1 1   19    4   31 o  1093.05  110.856   19.759   3.7417   21.474   5.3121   18.071   5.2712  1111.86  156.945  1008.06  173.239 103.8002 233.7595 
1 1 1   19    4   33 o  1635.13   93.331   43.542   4.7587   50.841   7.9877   39.527   5.9249  1716.53  150.122  1534.94  124.343 181.5924 194.9305 
1 1 1   19    4   35 o  1777.86  113.130   52.979   6.2651   60.647   8.8833   45.390   8.8374  1851.21  154.667  1564.28  183.936 286.9340 240.3210 
1 1 1   19    4   37 o  933.848  140.512   15.812   3.9814   0.0000   0.0000   15.812   3.9814  ?   ?   933.848  140.512 0.000000 140.5121 
1 1 1   19    4   39 o  858.188  107.210   13.034   2.8181   18.208   4.2964   9.1268   3.7334  972.397  145.582  649.274  178.223 323.1231 230.1257 
1 1 1   19    4   41 o  1045.77  132.949   21.428   4.2551   20.345   5.0657   24.022   7.8420  951.620  176.501  825.719  266.444 125.9008 319.6016 
1 1 1   19    4   43 o  382.779  155.876   3.2920   2.9386   4.3017   7.5494   3.1117   3.1902  408.678  197.092  377.406  158.788 31.27124 253.0990 
1 1 1   19    4   45 o  313.183  137.976   1.6771   2.6319   7.0298   4.4088  -1.2867   3.2807  438.096  185.618  270.076  130.170 168.0201 226.7120 
1 1 1   19    4   47 o  246.937  119.344  -1.0225   2.8041   5.1365   5.5617  -3.1217   3.2470  350.441  169.046  234.148  116.171 116.2931 205.1150 
1 1 1   19    5    0 o  1558.14   71.712   38.273   3.4988   40.716   4.9737   35.879   4.9228  1598.99   99.837  1499.12  105.545 99.86682 145.2833 
1 1 1   19    5    2 o  2507.36   96.431   99.731   7.5710  103.138   9.2977   93.026   13.043  2542.09  116.807  2379.87  176.281 162.2241 211.4679 
1 1 1   19    5    4 o  1733.64   73.947   47.443   4.0142   49.451   5.7257   45.502   5.6293  1759.89  104.368  1687.03  107.121 72.85596 149.5579 
1 1 1   19    5    6 o  1870.16   75.184   55.248   4.4027   56.975   6.2573   53.555   6.1959  1888.00  106.277  1829.44  108.648 58.55615 151.9838 
1 1 1   19    5    8 o  928.556   73.093   13.701   2.1080   13.351   3.0310   14.029   2.9338  908.472  108.711  933.297  102.052 -24.82428 149.1060 
1 1 1   19    5   10 o  640.132  118.009   6.7682   2.2782   0.0000   0.0000   6.7682   2.2782  ?   ?   640.132  118.009 0.000000 118.0088 
1 1 1   19    5   12 o  1552.62   84.946   38.385   4.1141   37.714   5.0792   39.664   7.0152  1531.63  106.572  1553.57  145.919 -21.93738 180.6926 
1 1 1   19    5   14 o  1638.93   84.965   42.837   4.3453   37.935   7.4622   45.352   5.3450  1506.98  160.616  1679.76  102.106 -172.7711 190.3237 
1 1 1   19    5   16 o  527.107  156.083   4.7167   2.7585   4.7167   2.7585   0.0000   0.0000  527.107  156.083  ?   ?  0.000000 156.0828 
1 1 1   19    5   18 o  732.666   91.494   8.7222   2.0533   10.040   3.4977   8.0293   2.5363  765.502  151.285  693.204  121.263 72.29828 193.8858 
1 1 1   19    5   20 o  385.099  115.139   2.4432   1.4957   3.7912   2.6238   1.7942   1.8205  478.891  154.076  355.665  128.040 123.2262 200.3341 
1 1 1   19    5   22 o  697.053  117.260   8.0750   2.4685   8.9336   3.4661   7.1913   3.5164  719.462  158.167  641.572  171.668 77.88916 233.4239 
1 1 1   19    5   24 o  1617.03  105.603   42.323   5.3177   45.018   7.5387   39.655   7.5020  1642.55  148.171  1534.19  158.446 108.3536 216.9326 
1 1 1   19    5   26 o  368.332  119.296   2.1648   1.5709   3.4581   2.5930   1.4150   1.9745  461.728  153.464  343.511  131.444 118.2169 202.0610 
1 1 1   19    5   28 o  872.031  131.581   12.798   3.4811   12.798   3.4811   0.0000   0.0000  872.031  131.581  ?   ?  0.000000 131.5812 
1 1 1   19    5   30 o  589.049  107.795   5.8139   1.9150   7.8780   2.8503   4.1157   2.5854  675.680  139.348  490.245  152.345 185.4343 206.4628 
1 1 1   19    5   32 o  949.006   88.140   14.644   2.5892   17.511   3.7755   12.098   3.5577  1023.10  120.138  838.259  140.513 184.8442 184.8706 
1 1 1   19    5   34 o  425.808  148.910   2.9471   2.4470   0.0000   0.0000   2.9471   2.4470  ?   ?   425.808  148.910 0.000000 148.9099 
1 1 1   19    5   36 o  1379.65   97.985   31.711   4.2055   45.527   8.5162   27.255   4.8363  1554.10  178.229  1255.64  124.655 298.4587 217.4953 
1 1 1   19    5   38 o  427.316  149.414   3.3875   2.4635   5.5744   6.5441   3.0264   2.6592  520.819  223.556  413.145  153.747 107.6745 271.3211 
1 1 1   19    5   40 o  373.716  146.920   2.4602   2.5178  -3.3710   6.2203   3.6028   2.7534  360.036  174.904  421.955  156.561 -61.91895 234.7400 
1 1 1   19    5   42 o  608.229  162.646   8.4941   3.1577   11.419   6.2509   7.4922   3.6588  554.658  226.773  536.027  182.310 18.63104 290.9690 
1 1 1   19    5   44 f  340.598  147.555   2.2106   2.9030   3.4292   6.4687   1.9033   3.2486  382.361  183.921  336.985  150.583 45.37607 237.7018 
1 1 1   19    5   46 o  254.515  122.927  -1.3003   2.9635   0.0000   0.0000  -1.3003   2.9635  ?   ?   254.515  122.927 0.000000 122.9272 
1 1 1   19    5   48 o  312.445  148.897   2.8478   4.0285   0.0000   0.0000   2.8478   4.0285  ?   ?   312.445  148.897 0.000000 148.8973 
1 1 1   19    6    1 o  1478.42  102.536   34.886   4.7173   34.374   6.6548   35.404   6.6880  1452.49  148.404  1474.91  146.765 -22.41650 208.7189 
1 1 1   19    6    3 o  1903.28   87.099   57.349   5.1908   53.378   8.9707   59.348   6.3645  1806.27  160.274  1928.36  105.809 -122.0916 192.0506 
1 1 1   19    6    5 o  1533.88   83.470   37.335   3.9939   35.547   6.8686   38.248   4.9092  1474.48  150.894  1547.58  101.877 -73.09802 182.0654 
1 1 1   19    6    7 o  1385.44   82.678   30.485   3.5704   32.990   6.2408   29.266   4.3531  1422.42  142.016  1351.87  103.626 70.55481 175.8036 
1 1 1   19    6    9 o  613.078  118.481   6.2174   2.1922   7.4558   3.1064   4.9890   3.0940  664.518  152.522  548.269  165.980 116.2482 225.4160 
1 1 1   19    6   11 o  1571.03  105.516   39.613   5.1605   0.0000   0.0000   39.613   5.1605  ?   ?   1571.03  105.516 0.000000 105.5159 
1 1 1   19    6   13 o  517.942  106.497   4.4490   1.6695   6.8357   2.7395   3.0390   2.1056  635.990  141.242  434.126  137.855 201.8645 197.3659 
1 1 1   19    6   15 o  594.815  100.368   5.8174   1.8028   6.8119   3.0236   5.2687   2.2457  629.881  154.478  558.146  130.782 71.73517 202.4041 
1 1 1   19    6   17 o  846.445  106.705   11.715   2.7653   8.1480   3.7813   15.816   4.0544  681.694  175.953  973.484  136.783 -291.7892 222.8656 
1 1 1   19    6   19 o  1060.95  106.682   18.320   3.4960   15.212   4.9987   21.295   4.8913  935.309  177.165  1129.31  141.426 -193.9988 226.6911 
1 1 1   19    6   21 o  1414.56   85.984   32.027   3.7905   32.346   4.7174   31.447   6.3676  1413.05  107.420  1371.38  150.775 41.67358 185.1276 
1 1 1   19    6   23 o  549.678  115.727   5.0605   1.9289   3.5945   2.5330   7.0839   2.9759  469.087  151.436  642.568  150.540 -173.4810 213.5308 
1 1 1   19    6   25 o  604.203   97.641   5.9979   1.7843   4.3045   2.6538   7.3949   2.4104  505.189  153.894  665.402  120.108 -160.2135 195.2163 
1 1 1   19    6   27 o  468.643  130.044   3.7250   1.9756   3.1147   4.9638   3.8399   2.1535  511.621  204.625  475.785  137.072 35.83624 246.2929 
1 1 1   19    6   29 o  459.460  140.236   3.5656   2.2021   2.1441   5.2159   3.8740   2.4292  490.912  204.540  477.980  147.530 12.93149 252.1941 
1 1 1   19    6   31 o  586.732  136.621   5.9607   2.4631   15.227   5.7449   3.8735   2.7265  903.904  207.380  479.600  157.265 424.3043 260.2668 
1 1 1   19    6   33 o  569.874  147.519   5.7444   2.6529   8.2048   5.4845   4.9930   3.0310  656.424  223.208  530.995  164.944 125.4294 277.5401 
1 1 1   19    6   35 o  490.676  138.648   4.2897   2.2245   12.630   4.7391   1.9329   2.5192  810.710  190.002  380.378  147.692 430.3320 240.6525 
1 1 1   19    6   37 o  415.133  145.342   3.0389   2.3314  -4.0205   5.7451   4.4307   2.5509  368.039  176.058  484.489  151.453 -116.4507 232.2380 
1 1 1   19    6   39 o  418.520  159.673   3.2976   2.9083   0.0000   0.0000   3.2976   2.9083  ?   ?   418.520  159.673 0.000000 159.6726 
1 1 1   19    6   41 o  303.674  132.648   0.7115   2.3868   11.163   6.2465  -1.0753   2.5827  576.557  229.898  267.374  124.867 309.1836 261.6202 
1 1 1   19    6   43 o  597.732  165.750   8.6420   3.2105   20.845   6.8155   5.1621   3.6396  735.917  248.829  439.130  175.365 296.7865 304.4158 
1 1 1   19    6   45 o  426.791  204.671   10.201   7.8727   10.201   7.8727   0.0000   0.0000  426.791  204.671  ?   ?  0.000000 204.6712 
1 1 1   19    6   47 o  643.002  189.798   13.932   4.0843   10.589   8.6920   14.879   4.6270  372.677  185.744  609.773  205.029 -237.0955 276.6544 
1 1 1   19    7    0 o  2276.07  114.655   82.795   8.1452   82.848   11.535   82.741   11.503  2252.72  164.676  2251.47  164.295 1.247314 232.6182 
1 1 1   19    7    2 o  2168.58   90.796   74.498   6.1654   80.275   10.693   71.621   7.5461  2221.74  154.668  2116.18  114.305 105.5667 192.3226 
1 1 1   19    7    4 f  219.589   92.756   0.0699   1.0956  -0.0000   1.7530   0.1147   1.4035  272.351  116.271  249.200  105.108 23.15181 156.7382 
1 1 1   19    7    6 o  1032.61   82.485   16.973   2.6448   20.287   4.5388   15.270   3.2543  1116.12  132.458  973.044  108.665 143.0718 171.3277 
1 1 1   19    7    8 o  1088.96  104.985   19.067   3.5354   0.0000   0.0000   19.067   3.5354  ?   ?   1088.96  104.985 0.000000 104.9853 
1 1 1   19    7   10 o  807.530   85.994   10.457   2.1410   13.372   3.7173   9.0097   2.6190  900.278  136.117  741.292  116.687 158.9860 179.2866 
1 1 1   19    7   12 o  508.147   97.832   4.2523   1.5002   5.7488   2.2656   3.0839   2.0019  585.920  127.143  435.104  133.865 150.8163 184.6214 
1 1 1   19    7   14 o  1049.66   75.181   17.557   2.4546   17.432   3.5369   17.674   3.4093  1035.44  110.811  1044.36  105.713 -8.922119 153.1474 
1 1 1   19    7   16 o  294.074  108.055   1.1325   1.3059  -2.4142   1.9285   4.1364   1.7748  216.235  103.040  496.305  116.243 -280.0706 155.3378 
1 1 1   19    7   18 o  346.392  122.501   1.7322   1.6593   2.8151   2.2024   0.3105   2.5235  422.763  141.456  331.948  140.525 90.81516 199.3920 
1 1 1   19    7   20 o  216.181  100.418  -1.3810   1.6349   0.0002   3.3160  -1.8246   1.8792  366.791  158.301  225.507  105.699 141.2833 190.3461 
1 1 1   19    7   22 o  640.260   96.727   6.6968   1.8787   1.8697   2.8045   10.626   2.5304  402.277  155.932  807.943  102.316 -405.6661 186.5028 
1 1 1   19    7   24 o  995.092   83.598   15.877   2.5807   16.611   3.6659   15.157   3.6335  1006.37  118.614  958.758  123.934 47.60938 171.5486 
1 1 1   19    7   26 o  553.619  143.568   5.2550   2.5097   10.975   4.7669   3.0616   2.9520  782.873  195.148  453.241  163.059 329.6323 254.3048 
1 1 1   19    7   28 o  1133.08   98.691   20.841   3.4665   26.421   6.5289   18.650   4.0908  1234.69  173.675  1059.78  125.727 174.9138 214.4069 
1 1 1   19    7   30 o  1872.02   91.150   56.399   5.3430   65.946   9.6749   52.210   6.4089  1966.22  158.490  1783.43  115.383 182.7852 196.0418 
1 1 1   19    7   32 o  1088.87  156.322   20.558   5.1770   0.0000   0.0000   20.558   5.1770  ?   ?   1088.87  156.322 0.000000 156.3216 
1 1 1   19    7   34 o  1142.02  121.111   22.017   4.2648   24.124   7.1594   20.857   5.3097  1119.39  212.018  1082.10  161.662 37.29578 266.6203 
1 1 1   19    7   36 o  795.554  142.442   11.445   3.4180   12.139   6.3230   11.158   4.0628  728.419  239.524  760.312  174.368 -31.89288 296.2700 
1 1 1   19    7   38 o  849.214  144.728   13.641   3.7105   13.626   7.0807   13.647   4.3565  696.550  252.263  816.611  175.594 -120.0611 307.3598 
1 1 1   19    7   40 o  626.520  164.398   8.4393   3.2656   1.5383   6.6225   10.656   3.7537  422.476  198.151  697.566  172.756 -275.0894 262.8849 
1 1 1   19    7   42 o  684.734  129.688   9.3543   2.6788   5.7485   4.2372   11.755   3.4575  463.065  187.691  736.201  154.890 -273.1353 243.3496 
1 1 1   19    7   44 o  371.878  166.466   3.0571   3.9885   3.9598   4.8950   1.2738   6.8801  390.908  178.725  367.593  179.749 23.31482 253.4805 
1 1 1   19    7   46 o  664.541  158.006   11.250   3.2397   14.239   8.7591   10.776   3.4870  426.865  207.411  615.103  173.515 -188.2381 270.4196 
1 1 1   19    8    1 o  618.612   85.469   6.1629   1.6113   6.7375   2.3054   5.6142   2.2531  639.894  119.453  581.474  127.276 58.42096 174.5514 
1 1 1   19    8    3 o  268.695   99.378   0.8994   1.1076   2.0986   1.5498  -0.3526   1.5836  367.118  118.448  245.608  107.646 121.5107 160.0545 
1 1 1   19    8    5 o  581.155   98.509   5.5064   1.7286   6.8059   2.9209   4.8059   2.1444  636.630  149.138  536.953  129.127 99.67657 197.2713 
1 1 1   19    8    7 o  1062.54   82.924   17.974   2.7371   22.579   5.1099   16.121   3.2413  1174.63  141.799  1000.80  104.996 173.8239 176.4399 
1 1 1   19    8    9 o  1657.19   74.399   43.407   3.8606   40.127   5.4988   46.595   5.4214  1580.27  111.849  1707.05  101.891 -126.7751 151.3012 
1 1 1   19    8   11 o  654.286   97.189   6.9636   1.9306   7.6168   3.1541   6.5723   2.4414  669.997  153.622  627.352  128.603 42.64532 200.3458 
1 1 1   19    8   13 o  1014.51   86.321   16.485   2.7161   14.895   3.3311   19.637   4.6915  956.086  113.483  1089.06  140.877 -132.9789 180.9002 
1 1 1   19    8   15 o  777.278   82.727   9.7111   1.9825   5.0096   2.8666   14.022   2.7448  543.566  158.597  932.068   95.391 -388.5017 185.0743 
1 1 1   19    8   17 o  631.217   96.846   6.5110   1.8530   6.1221   2.5980   6.9137   2.6438  600.334  140.666  639.754  136.158 -39.42004 195.7701 
1 1 1   19    8   19 o  663.168  129.240   7.3635   2.5873   5.1857   3.6411   9.5847   3.6771  558.982  181.663  748.027  161.704 -189.0452 243.2069 
1 1 1   19    8   21 o  865.378   86.466   12.030   2.3116   11.533   3.1845   12.584   3.3609  835.572  125.599  873.149  126.620 -37.57703 178.3471 
1 1 1   19    8   23 o  452.882  126.101   3.4293   1.8542   5.2519   2.4151   0.8123   2.8939  556.359  139.026  369.364  152.996 186.9949 206.7265 
1 1 1   19    8   25 o  669.676  106.642   7.3854   2.1612   6.4514   2.7777   8.8184   3.4403  613.895  146.534  715.829  157.742 -101.9344 215.3013 
1 1 1   19    8   27 o  476.352  148.455   3.7894   2.4531   4.0112   4.3021   3.6826   2.9860  522.786  195.358  480.242  164.689 42.54395 255.5140 
1 1 1   19    8   29 o  718.019  138.452   8.7905   3.0000   10.510   5.2999   7.9799   3.6391  754.312  214.313  671.436  172.248 82.87634 274.9532 
1 1 1   19    8   31 o  488.183  150.379   4.0670   2.5254   6.9581   4.8389   2.9847   2.9605  623.852  209.671  446.486  162.900 177.3664 265.5153 
1 1 1   19    8   33 o  630.243  153.341   7.0677   2.9973   6.1163   5.7361   7.4250   3.5154  594.701  224.875  638.676  171.960 -43.97443 283.0879 
1 1 1   19    8   35 o  1144.43  130.383   22.697   4.5889   15.995   7.6900   26.403   5.7187  830.624  263.413  1213.17  154.011 -382.5454 305.1323 
1 1 1   19    8   37 f  407.033  130.670   2.9799   1.8879   2.8266   2.8674   3.0972   2.5084  412.961  158.307  418.356  150.331 -5.394562 218.3128 
1 1 1   19    8   39 o  597.748  163.206   7.4563   3.1406   9.3783   3.5097  -0.2660   7.0350  668.643  167.878  419.942  199.154 248.7007 260.4712 
1 1 1   19    8   41 o  959.259  102.496   16.565   3.0310   19.264   4.4712   14.270   4.1229  964.467  153.173  807.009  168.594 157.4577 227.7846 
1 1 1   19    8   43 o  840.626  108.360   13.354   2.7858   16.027   4.3640   11.515   3.6192  817.121  175.778  699.069  167.530 118.0523 242.8254 
1 1 1   19    8   45 o  642.803  157.992   10.101   3.1575   27.883   9.1867   7.7193   3.3623  618.567  265.176  517.862  174.774 100.7042 317.5916 
1 1 1   19    8   47 o  594.499  155.255   9.4018   2.9215   9.7662   5.8270   9.2794   3.3766  415.124  191.682  538.927  174.931 -123.8037 259.5045 
1 1 1   19    9    0 o  1811.16   75.228   51.750   4.2663   48.651   6.0301   54.857   6.0368  1744.96  110.939  1855.42  104.331 -110.4592 152.2907 
1 1 1   19    9    2 o  1295.07   72.472   26.531   2.9271   26.742   4.1848   26.330   4.0957  1293.19  104.231  1283.48  102.772 9.711548 146.3772 
1 1 1   19    9    4 o  480.555   97.884   3.7950   1.4229   3.0894   2.1217   4.3717   1.9182  439.758  138.230  512.955  121.325 -73.19754 183.9219 
1 1 1   19    9    6 o  340.452  116.664   1.7064   1.4984  -0.6706   3.2409   2.3526   1.6898  349.028  153.458  386.637  123.572 -37.60922 197.0270 
1 1 1   19    9    8 o  161.405   76.139  -1.1234   1.0029  -1.6323   1.3443  -0.4845   1.5061  183.194   86.930  233.805  103.618 -50.61064 135.2539 
1 1 1   19    9   10 o  612.421   94.383   6.1009   1.7518   6.7209   2.3116   5.2644   2.6849  636.944  120.312  558.605  150.232 78.33905 192.4696 
1 1 1   19    9   12 o  445.833  123.933   3.3064   1.7926   2.0856   2.3347   5.0595   2.7978  393.351  144.487  547.419  155.777 -154.0681 212.4686 
1 1 1   19    9   14 o  1583.93  105.597   40.383   5.2072   40.692   7.2563   40.056   7.4770  1568.87  149.520  1552.99  155.861 15.87756 215.9838 
1 1 1   19    9   16 o  225.186   98.879  -0.3076   1.3417  -1.5100   1.6354   2.1677   2.3465  213.070   99.458  397.153  145.006 -184.0824 175.8366 
1 1 1   19    9   18 o  489.379  122.118   4.0120   1.8653   3.6625   2.3064   4.6728   3.1713  471.418  143.438  532.297  169.195 -60.87924 221.8138 
1 1 1   19    9   20 o  801.790  100.215   10.420   2.4610   10.728   3.0870   9.8811   4.0769  806.014  126.476  757.216  175.390 48.79767 216.2356 
1 1 1   19    9   22 o  1348.46   88.575   29.061   3.7192   29.065   4.6880   29.053   6.1091  1340.18  112.762  1323.71  150.041 16.47095 187.6899 
1 1 1   19    9   24 o  222.261  100.714  -0.8110   1.5112   1.6641   2.0905  -3.5204   2.1872  362.365  136.030  215.791  104.569 146.5743 171.5772 
1 1 1   19    9   26 o  616.740  142.308   6.4938   2.6923   8.3258   4.6426   5.5655   3.3047  684.679  202.427  569.622  171.336 115.0573 265.2036 
1 1 1   19    9   28 o  617.303  136.133   6.4972   2.5606   3.5440   5.2569   7.4158   2.9320  533.030  211.419  657.094  146.263 -124.0637 257.0811 
1 1 1   19    9   30 o  873.571  114.053   12.611   3.0453   14.331   6.1195   12.045   3.5109  875.869  222.649  843.649  137.652 32.22034 261.7650 
1 1 1   19    9   32 o  865.726  141.813   12.861   3.7111   0.0000   0.0000   12.861   3.7111  ?   ?   865.726  141.813 0.000000 141.8129 
1 1 1   19    9   34 o  560.047  149.111   5.6493   2.6613   5.4227   6.1747   5.7010   2.9493  569.633  228.083  559.146  160.219 10.48633 278.7330 
1 1 1   19    9   36 o  425.231  132.339   3.2341   1.9501   2.9734   2.9401   3.4389   2.6058  425.398  160.963  439.904  153.675 -14.50562 222.5424 
1 1 1   19    9   38 o  934.791  146.495   16.598   4.1471   13.371   4.9029   24.713   7.7747  774.997  200.512  980.512  251.890 -205.5154 321.9530 
1 1 1   19    9   40 o  339.761  131.897   1.8811   2.0089   3.3737   3.4742   1.1314   2.4623  418.783  169.881  325.181  138.287 93.60138 219.0502 
1 1 1   19    9   42 o  434.373  141.206   4.0009   2.1998   3.9039   3.5945   4.0590   2.7816  417.263  171.438  426.686  157.550 -9.423553 232.8368 
1 1 1   19    9   44 o  316.217  135.346   1.5422   2.3864   0.0000   0.0000   1.5422   2.3864  ?   ?   316.217  135.346 0.000000 135.3464 
1 1 1   19    9   46 o  614.020  163.979   9.9634   3.2122   5.1893   9.2355   10.620   3.4261  370.465  185.663  621.498  170.786 -251.0337 252.2669 
1 1 1   19   10    1 o  917.066   80.651   13.384   2.2924   13.246   3.1731   13.533   3.3155  904.955  114.543  913.805  118.675 -8.850342 164.9355 
1 1 1   19   10    3 o  1774.03   76.889   49.688   4.2711   44.468   6.0082   55.020   6.0728  1665.64  115.921  1857.33  104.848 -191.6906 156.3036 
1 1 1   19   10    5 o  877.129   95.518   12.349   2.5810   8.8286   4.6258   13.940   3.1101  718.141  198.894  929.317  108.948 -211.1760 226.7783 
1 1 1   19   10    7 f  1067.08   79.540   18.108   2.6386   16.100   3.7625   20.052   3.7013  994.706  123.453  1116.41  107.197 -121.7015 163.4989 
1 1 1   19   10    9 f  330.979  122.952   1.3848   1.6991   2.4432   2.1782  -0.2599   2.7154  405.790  140.574  328.228  142.452 77.56198 200.1340 
1 1 1   19   10   11 o  799.830   97.341   10.339   2.3876   10.484   2.8935   10.029   4.2266  799.483  119.230  762.907  179.864 36.57642 215.7933 
1 1 1   19   10   13 o  1161.61  104.358   21.742   3.7553   20.236   5.1591   23.439   5.4766  1102.39  153.636  1189.09  150.457 -86.69653 215.0380 
1 1 1   19   10   15 o  770.463   97.077   9.6045   2.2900   8.8388   2.8043   11.137   3.9674  730.308  127.258  810.286  162.030 -79.97748 206.0300 
1 1 1   19   10   17 o  1589.76   89.865   40.288   4.4551   39.656   5.5470   41.436   7.4778  1568.84  113.688  1586.41  152.413 -17.56091 190.1440 
1 1 1   19   10   19 o  1611.80   88.731   41.391   4.4610   35.056   5.4892   53.711   7.6555  1472.16  120.127  1816.74  135.550 -344.5868 181.1198 
1 1 1   19   10   21 o  1951.96   80.240   60.403   4.9043   58.111   6.9406   62.688   6.9308  1897.86  117.369  1973.73  112.612 -75.86719 162.6556 
1 1 1   19   10   23 o  704.467   97.679   8.0688   2.0967   6.2854   2.9349   9.9277   2.9964  606.976  154.133  773.645  128.179 -166.6690 200.4668 
1 1 1   19   10   25 o  1094.70   83.879   19.179   2.8533   17.047   4.0003   21.386   4.0710  1016.79  128.513  1145.84  115.018 -129.0483 172.4663 
1 1 1   19   10   27 o  309.092  131.977   0.1135   2.2592   0.0000   0.0000   0.1135   2.2592  ?   ?   309.092  131.977 0.000000 131.9766 
1 1 1   19   10   29 o  883.750  112.694   12.844   3.0475   16.131   5.8679   11.630   3.5662  946.960  203.924  828.703  142.574 118.2578 248.8221 
1 1 1   19   10   31 o  1382.27   96.079   30.970   4.1327   42.386   7.9633   26.762   4.8347  1569.73  164.456  1270.64  123.055 299.0845 205.3984 
1 1 1   19   10   33 o  270.659  120.179  -0.4801   2.0353  -2.5578   5.8922  -0.1986   2.1688  415.264  192.099  288.368  126.190 126.8961 229.8392 
1 1 1   19   10   35 o  881.926  108.734   13.217   2.9391   7.8525   4.5996   16.918   3.8210  621.303  204.290  986.072  126.682 -364.7690 240.3799 
1 1 1   19   10   37 o  760.246  159.441   11.179   3.6743   8.5597   4.2092   19.564   7.5315  630.888  194.112  871.661  257.860 -240.7731 322.7556 
1 1 1   19   10   39 o  346.416  131.424   1.9595   1.9633  -2.9068   3.0283   5.4881   2.5787  264.008  126.695  522.487  149.844 -258.4796 196.2265 
1 1 1   19   10   41 o  411.184  160.690   3.4415   2.9970   0.0000   0.0000   3.4415   2.9970  ?   ?   411.184  160.690 0.000000 160.6899 
1 1 1   19   10   43 o  412.738  153.482   3.8409   2.6490  -0.1666   8.5115   4.2707   2.7875  390.236  192.608  428.693  157.815 -38.45740 249.0047 
1 1 1   19   10   45 o  206.568   98.640  -1.4056   1.7867  -0.9330   3.7702  -1.5425   2.0290  294.296  141.266  218.017  104.380 76.27878 175.6453 
1 1 1   19   11    0 o  942.799   92.654   14.209   2.6999   13.041   3.2456   16.833   4.8651  896.849  118.474  1008.68  159.326 -111.8338 198.5473 
1 1 1   19   11    2 o  1732.58   87.375   47.620   4.7249   44.787   5.7579   53.461   8.2677  1673.53  110.500  1815.13  146.719 -141.6069 183.6755 
1 1 1   19   11    4 o  1609.21  109.348   41.447   5.4772   38.308   7.7824   44.528   7.7099  1525.42  165.591  1652.47  150.660 -127.0511 223.8726 
1 1 1   19   11    6 o  868.553   92.579   12.103   2.4790   10.752   3.0533   14.717   4.2467  810.044  124.349  942.655  148.810 -132.6113 193.9251 
1 1 1   19   11    8 o  970.411   93.374   15.095   2.8022   11.241   3.4707   22.313   4.7495  823.418  139.597  1169.73  131.978 -346.3169 192.1080 
1 1 1   19   11   10 o  1072.99   87.264   18.386   2.9065   16.340   3.5813   22.333   4.9748  1003.39  116.133  1167.08  138.857 -163.6871 181.0198 
1 1 1   19   11   12 o  314.597  118.542   1.1878   1.5905   2.0423   1.9476  -0.5229   2.7557  376.803  132.773  323.227  141.824 53.57596 194.2755 
1 1 1   19   11   14 o  597.183  126.468   5.9434   2.2912   2.9876   3.0256   9.9180   3.5084  458.297  165.057  768.628  151.160 -310.3313 223.8150 
1 1 1   19   11   16 o  1033.92   83.147   17.037   2.6691   15.334   3.6990   18.886   3.8551  969.705  124.712  1080.41  115.757 -110.7052 170.1552 
1 1 1   19   11   18 o  759.629   94.898   9.3078   2.2080   6.5451   3.0558   12.326   3.1939  621.895  156.924  868.945  120.639 -247.0500 197.9367 
1 1 1   19   11   20 o  2174.53   95.296   75.234   6.4887   69.979   8.0021   85.325   11.088  2082.70  123.253  2280.60  156.206 -197.9004 198.9764 
1 1 1   19   11   22 o  1018.65   86.001   16.592   2.7175   19.790   3.8269   13.340   3.8595  1105.53  112.102  895.778  142.360 209.7467 181.1996 
1 1 1   19   11   24 o  1197.43  102.946   23.115   3.8224   19.399   7.1573   24.598   4.5211  1041.44  225.976  1229.74  118.896 -188.2946 255.3460 
1 1 1   19   11   26 o  708.139  102.336   8.1950   2.2033   14.051   3.0004   1.3417   3.2460  930.060  104.858  403.244  163.974 526.8163 194.6348 
1 1 1   19   11   28 o  601.455  117.001   6.0429   2.1242   7.3599   3.0003   4.7193   3.0078  655.315  149.519  529.169  164.299 126.1458 222.1488 
1 1 1   19   11   30 o  1790.91  102.777   51.964   5.7394   44.199   10.265   55.495   6.9226  1566.40  214.944  1839.26  120.875 -272.8619 246.6004 
1 1 1   19   11   32 o  301.565  131.509  -0.1556   2.3373   0.0000   0.0000  -0.1556   2.3373  ?   ?   301.565  131.509 0.000000 131.5086 
1 1 1   19   11   34 o  1006.82  117.349   17.239   3.6301   16.136   7.7894   17.545   4.1029  838.912  265.011  1004.35  133.793 -165.4364 296.8694 
1 1 1   19   11   36 o  400.401  156.800   2.4061   2.8581   1.0448   3.1196   9.5193   7.1313  364.335  155.313  631.310  247.554 -266.9753 292.2415 
1 1 1   19   11   38 o  354.323  133.100   2.0268   2.0021   5.4336   3.1543  -0.2715   2.5908  514.804  169.172  297.827  133.681 216.9773 215.6152 
1 1 1   19   11   40 o  298.447  124.559   0.9345   1.9390  -2.4409   3.2621   2.7785   2.4111  279.983  133.582  387.896  145.996 -107.9128 197.8860 
1 1 1   19   11   42 o  596.711  130.328   7.0692   2.3669   10.331   3.7253   4.8611   3.0651  665.026  176.111  459.425  166.037 205.6009 242.0402 
1 1 1   19   11   44 o  526.187  146.922   6.2484   2.5134   6.9257   4.3346   5.9054   3.0850  475.296  190.821  480.268  167.241 -4.971222 253.7365 
1 1 1   19   12    1 o  1687.99  110.683   45.569   5.8178   45.569   5.8178   0.0000   0.0000  1687.99  110.683  ?   ?  0.000000 110.6834 
1 1 1   19   12    3 o  595.169  188.294   5.8123   3.9312   5.8123   3.9312   0.0000   0.0000  595.169  188.294  ?   ?  0.000000 188.2944 
1 1 1   19   12    5 o  1328.59  105.674   28.283   4.3599   24.664   5.9210   32.569   6.4437  1222.57  158.392  1411.57  147.986 -189.0024 216.7665 
1 1 1   19   12    7 o  1156.38   89.158   21.324   3.2034   17.048   3.9154   29.981   5.5714  1023.82  124.709  1358.87  132.629 -335.0462 182.0512 
1 1 1   19   12    9 o  212.930   97.326  -0.9534   1.4503  -1.8777   1.6810   1.7382   2.8686  208.405   98.389  403.725  157.367 -195.3206 185.5929 
1 1 1   19   12   11 o  507.634  125.481   4.2957   1.9832   5.1852   2.9197   3.5338   2.7022  556.945  159.357  474.462  156.612 82.48312 223.4324 
1 1 1   19   12   13 o  1312.97   77.768   27.334   3.1830   24.673   4.4084   30.232   4.6005  1237.79  115.059  1373.32  107.850 -135.5380 157.7030 
1 1 1   19   12   15 o  448.072  145.033   3.1675   2.3222   3.7615   2.6408   1.1420   4.8766  484.617  154.435  472.451  197.389 12.16583 250.6246 
1 1 1   19   12   17 o  1551.40   90.656   38.285   4.3848   35.424   5.4753   43.400   7.3213  1483.66  118.856  1633.00  144.679 -149.3319 187.2399 
1 1 1   19   12   19 o  976.270  111.858   15.413   3.3577   12.823   4.7392   18.022   4.7579  867.975  180.268  1044.51  149.761 -176.5308 234.3606 
1 1 1   19   12   21 o  493.375  141.094   4.0481   2.2894   5.6519   3.0478   1.9713   3.4683  578.619  161.867  436.655  172.189 141.9637 236.3264 
1 1 1   19   12   23 o  635.137  114.138   6.6582   2.1865   6.0706   3.0168   7.3085   3.1735  597.545  158.598  655.321  156.763 -57.77612 222.9974 
1 1 1   19   12   25 o  175.806   84.850  -2.1800   1.4058  -1.6042   1.9585  -2.7921   2.0191  237.711  110.241  216.308  103.711 21.40321 151.3568 
1 1 1   19   12   27 o  384.531  131.750   2.2409   1.9110   2.0425   2.6655   2.4508   2.7411  403.706  153.139  423.439  156.390 -19.73300 218.8819 
1 1 1   19   12   29 o  1378.77   93.806   30.605   4.0258   27.602   5.0940   35.602   6.5705  1294.12  127.358  1460.44  145.622 -166.3258 193.4574 
1 1 1   19   12   31 o  357.612  144.189   1.2031   2.4865   0.0000   0.0000   1.2031   2.4865  ?   ?   357.612  144.189 0.000000 144.1890 
1 1 1   19   12   33 o  1251.18  116.981   26.325   4.5298   14.309   8.7050   30.786   5.3046  790.613  280.477  1345.33  127.443 -554.7152 308.0730 
1 1 1   19   12   35 f  636.336  250.169   9.0785   7.3002   0.0000   0.0000   9.0785   7.3002  ?   ?   636.336  250.169 0.000000 250.1691 
1 1 1   19   12   37 o  457.893  146.013   3.9363   2.3603   2.9416   3.4743   4.7889   3.2166  428.099  171.203  494.173  170.846 -66.07458 241.8650 
1 1 1   19   12   39 o  779.775  117.070   10.981   2.7702   7.0453   4.4134   13.540   3.5585  549.813  199.153  845.133  139.325 -295.3196 243.0504 
1 1 1   19   12   41 o  857.111  109.604   13.339   2.8742   10.112   4.5060   15.553   3.7320  630.325  201.823  892.763  137.950 -262.4378 244.4641 
1 1 1   19   12   43 o  345.218  134.893   2.1986   2.1118   3.1404   3.5453   1.6807   2.6290  392.124  166.313  336.015  142.893 56.10892 219.2684 
1 1 1   19   13    0 o  1040.49   93.320   17.289   3.0081   17.560   3.6662   16.731   5.2621  1043.72  114.035  999.885  174.414 43.83282 208.3850 
1 1 1   19   13    2 o  404.777  143.335   2.3274   2.2724   2.5722   2.7815   1.8360   3.9406  434.514  157.994  454.109  182.074 -19.59525 241.0661 
1 1 1   19   13    4 o  864.231  122.294   12.167   3.2170   12.167   3.2170   0.0000   0.0000  864.231  122.294  ?   ?  0.000000 122.2938 
1 1 1   19   13    6 o  1052.95   94.489   17.720   3.0822   16.162   3.6321   21.727   5.8258  999.311  118.377  1144.27  167.562 -144.9598 205.1589 
1 1 1   19   13    8 o  627.808  119.053   6.4935   2.2547   8.9984   3.3282   4.3687   3.0653  733.943  149.887  521.303  166.413 212.6400 223.9636 
1 1 1   19   13   10 o  1979.66   91.342   62.073   5.6621   55.090   6.9414   75.958   9.7881  1853.53  120.249  2166.57  145.120 -313.0336 188.4664 
1 1 1   19   13   12 o  917.499   86.301   13.426   2.4502   12.470   3.4111   14.445   3.5219  874.109  128.458  943.719  122.042 -69.60950 177.1881 
1 1 1   19   13   14 o  965.962   90.800   14.898   2.7142   18.997   3.8570   10.876   3.8201  1086.06  115.176  807.467  156.740 278.5929 194.5067 
1 1 1   19   13   16 o  1423.81   82.228   32.143   3.6504   32.254   5.2181   32.037   5.1085  1416.71  118.723  1412.58  116.535 4.132446 166.3600 
1 1 1   19   13   18 o  982.820   88.267   15.418   2.6874   10.509   3.7748   20.463   3.8269  791.916  157.770  1128.10  109.727 -336.1810 192.1749 
1 1 1   19   13   20 o  227.555  103.393  -0.9363   1.6062  -0.9690   2.1155  -0.8917   2.4681  267.690  120.422  294.950  131.567 -27.26016 178.3574 
1 1 1   19   13   22 o  2109.09  113.687   71.421   7.4803   64.037   10.517   78.981   10.641  1965.05  172.682  2194.71  155.856 -229.6550 232.6162 
1 1 1   19   13   24 o  746.381  106.385   9.0750   2.4160   10.390   3.3451   7.6412   3.4931  789.419  140.477  668.471  167.283 120.9482 218.4432 
1 1 1   19   13   26 o  950.039  103.367   14.603   3.0253   14.406   4.5908   14.753   4.0223  921.676  165.137  942.548  140.587 -20.87219 216.8753 
1 1 1   19   13   28 f  968.440   93.855   15.133   2.8104   15.302   3.8834   14.948   4.0723  960.111  132.722  945.002  142.014 15.10913 194.3785 
1 1 1   19   13   30 o  634.591  165.885   7.1091   3.3332   0.0000   0.0000   7.1091   3.3332  ?   ?   634.591  165.885 0.000000 165.8849 
1 1 1   19   13   32 o  828.652  158.936   12.223   3.9739   0.0000   0.0000   12.223   3.9739  ?   ?   828.652  158.936 0.000000 158.9364 
1 1 1   19   13   34 o  516.807  168.148   4.9218   3.1191   0.0000   0.0000   4.9218   3.1191  ?   ?   516.807  168.148 0.000000 168.1482 
1 1 1   19   13   36 o  333.504  143.643   0.5580   2.7191   0.0000   0.0000   0.5580   2.7191  ?   ?   333.504  143.643 0.000000 143.6426 
1 1 1   19   13   38 o  395.666  138.887   2.7967   2.1296   0.0865   3.2834   4.7648   2.7980  338.755  151.380  491.060  159.227 -152.3047 219.7030 
1 1 1   19   13   40 o  415.748  142.488   3.3359   2.2351  -1.6697   3.4985   6.7883   2.9054  304.850  143.313  573.544  157.134 -268.6931 212.6734 
1 1 1   19   13   42 o  319.854  140.147   0.8647   2.6826   0.0000   0.0000   0.8647   2.6826  ?   ?   319.854  140.147 0.000000 140.1469 
1 1 1   19   14    1 f  1397.96   93.239   31.079   4.0580   33.883   4.8906   24.880   7.2707  1456.18  108.028  1216.60  197.641 239.5803 225.2375 
1 1 1   19   14    3 f  595.209  124.890   5.8619   2.2534   5.7375   2.5706   6.2750   4.6828  586.377  141.602  625.283  206.156 -38.90674 250.1025 
1 1 1   19   14    5 o  774.626  209.762   10.258   5.2131   0.0000   0.0000   10.258   5.2131  ?   ?   774.626  209.762 0.000000 209.7622 
1 1 1   19   14    7 o  991.424  103.355   15.754   3.1614   16.975   3.7149   12.549   6.0198  1026.12  117.752  853.698  222.818 172.4194 252.0186 
1 1 1   19   14    9 o  1499.72   94.389   35.727   4.4099   34.704   5.2786   38.089   8.0237  1472.78  115.387  1524.65  171.016 -51.87280 206.3023 
1 1 1   19   14   11 o  211.476   97.751  -1.2341   1.5213  -1.8392   1.9376  -0.2614   2.4565  231.597  108.157  313.709  135.820 -82.11171 173.6234 
1 1 1   19   14   13 f  207.630   97.594  -1.7114   1.6213  -0.3850   2.3336  -2.9493   2.2543  301.580  131.462  232.731  111.040 68.84885 172.0818 
1 1 1   19   14   15 o  606.985  118.057   6.0627   2.1630   4.5387   3.0189   7.6706   3.1007  529.486  164.635  677.694  150.080 -148.2076 222.7751 
1 1 1   19   14   17 o  390.009  133.101   2.2615   1.9503   2.8381   2.7259   1.6568   2.7915  444.433  157.028  398.365  155.249 46.06827 220.8161 
1 1 1   19   14   19 o  966.586   94.198   14.954   2.8148   15.676   3.9326   14.195   4.0306  980.166  131.444  928.370  143.265 51.79602 194.4286 
1 1 1   19   14   21 o  1045.64   95.140   17.500   3.0809   18.867   4.3754   16.156   4.3390  1075.39  132.756  990.344  144.154 85.04822 195.9703 
1 1 1   19   14   23 o  716.600  120.859   8.4473   2.6154   8.2698   3.3467   8.7259   4.1920  699.500  156.686  712.829  185.884 -13.32916 243.1120 
1 1 1   19   14   25 o  243.214  114.638  -2.4129   2.2652   3.4574   6.5365  -3.2141   2.4148  578.243  233.559  238.581  114.133 339.6619 259.9539 
1 1 1   19   14   27 o  415.747  136.611   2.7332   2.0569   4.4263   2.8807   0.9720   2.9381  515.964  160.887  377.045  154.964 138.9189 223.3801 
1 1 1   19   14   29 o  398.369  138.790   2.4168   2.1247   0.2207   3.0215   4.5653   2.9885  355.071  152.143  519.097  164.166 -164.0267 223.8261 
1 1 1   19   14   31 o  239.577  109.286  -1.0105   1.8172  -0.6359   2.4356  -1.4808   2.7292  293.635  130.859  290.789  133.135 2.845886 186.6788 
1 1 1   19   14   33 o  856.733  111.433   12.389   2.9186   12.813   4.3453   12.040   3.9395  832.469  172.374  814.840  160.113 17.62909 235.2632 
1 1 1   19   14   35 o  663.632  168.434   8.4253   3.5060   0.0000   0.0000   8.4253   3.5060  ?   ?   663.632  168.434 0.000000 168.4336 
1 1 1   19   14   37 o  328.542  142.613   0.4594   2.7226   0.0000   0.0000   0.4594   2.7226  ?   ?   328.542  142.613 0.000000 142.6133 
1 1 1   19   14   39 o  421.850  145.666   3.3446   2.3380   2.5401   3.4436   4.0325   3.1844  406.545  167.507  454.516  168.423 -47.97104 237.5398 
1 1 1   19   14   41 o  288.647  144.269  -9.3824   5.4059 -13.0600   10.571  -8.0802   6.2906  379.887  191.448  323.952  160.891 55.93497 250.0765 
1 1 1   19   15    0 o  1316.55   94.544   27.549   3.8716   26.197   4.6583   30.569   6.9619  1278.38  117.693  1367.02  166.053 -88.63501 203.5321 
1 1 1   19   15    2 o  826.060  141.412   11.207   3.5262   10.657   4.6432   11.956   5.4202  794.173  189.382  838.081  207.615 -43.90796 281.0147 
1 1 1   19   15    4 o  1428.39   96.297   32.405   4.2819   31.314   5.1214   34.939   7.8051  1399.02  118.011  1460.88  174.052 -61.86426 210.2872 
1 1 1   19   15    6 o  743.729  118.579   8.9965   2.6687   10.330   3.0594   4.7539   5.4580  796.137  126.990  595.195  220.510 200.9421 254.4622 
1 1 1   19   15    8 o  803.479  115.989   10.452   2.8337   8.8897   3.3548   14.342   5.2935  731.954  151.373  924.369  189.255 -192.4150 242.3453 
1 1 1   19   15   10 o  907.720  110.753   13.254   3.0826   13.073   3.5677   13.788   6.1233  896.742  130.918  898.639  219.499 -1.896545 255.5762 
1 1 1   19   15   12 o  544.382  147.190   4.9095   2.5692   4.2608   2.9450   6.9751   5.2555  516.473  162.930  660.991  218.420 -144.5176 272.4950 
1 1 1   19   15   14 o  1137.38  163.308   21.263   5.6492   21.263   5.6492   0.0000   0.0000  1137.38  163.308  ?   ?  0.000000 163.3080 
1 1 1   19   15   16 o  338.629  146.718  -0.2937   2.8708  -0.2937   2.8708   0.0000   0.0000  338.629  146.718  ?   ?  0.000000 146.7180 
1 1 1   19   15   18 o  843.613  148.328   11.776   3.7751   14.799   4.6044   5.5773   6.5941  944.000  161.579  641.289  241.426 302.7103 290.5064 
1 1 1   19   15   20 o  628.638  153.880   6.6402   3.0045   7.9962   3.4067   1.8929   6.3742  688.982  160.837  545.129  226.536 143.8525 277.8257 
1 1 1   19   15   22 o  1300.33  127.436   27.364   5.1221   31.901   6.4517   19.629   8.4239  1396.63  149.871  1048.72  258.243 347.9105 298.5813 
1 1 1   19   15   24 o  550.238  179.696   4.8928   3.5611   4.8928   3.5611   0.0000   0.0000  550.238  179.696  ?   ?  0.000000 179.6964 
1 1 1   19   15   26 o  1118.36  126.968   20.467   4.3674   16.926   5.1950   29.004   8.0656  997.628  172.546  1293.45  206.058 -295.8205 268.7601 
1 1 1   19   15   28 f  681.029  257.431   7.6229   7.5155   0.0000   0.0000   7.6229   7.5155  ?   ?   681.029  257.431 0.000000 257.4305 
1 1 1   19   15   30 o  1236.60  131.105   25.658   4.9991   27.817   6.1072   21.274   8.7028  1270.51  156.842  1020.34  268.685 250.1714 311.1130 
1 1 1   19   15   32 o  374.504  148.574   1.6310   2.5967   1.7173   2.7696   1.0045   7.4651  384.632  153.173  513.826  229.034 -129.1941 275.5334 
1 1 1   19   15   34 o  315.898  136.564   0.2099   2.4761  -0.8322   2.6693   6.6346   6.6279  297.897  134.522  592.111  236.581 -294.2142 272.1516 
1 1 1   19   15   38 o  476.861  205.824   3.5084   5.6067   15.692   10.819  -0.9645   6.5555  682.821  290.115  422.429  197.815 260.3924 351.1369 
1 1 1   19   15   40 o  591.495  248.525   10.581   7.7977   0.0000   0.0000   10.581   7.7977  ?   ?   591.495  248.525 0.000000 248.5251 
1 1 1   19   16    1 o  1496.97  121.564   35.792   5.6490   35.584   7.9127   36.007   8.0672  1477.43  174.403  1485.45  176.920 -8.014282 248.4294 
1 1 1   19   16    3 o  727.858  134.835   8.6906   2.9599   8.2678   3.4890   9.7761   5.5903  704.689  161.570  763.798  221.084 -59.10925 273.8300 
1 1 1   19   16    5 o  1336.92   98.438   28.382   4.0918   31.856   4.9538   20.925   7.2591  1413.78  112.843  1115.44  215.638 298.3446 243.3791 
1 1 1   19   16    7 o  767.904  115.589   9.5473   2.6932   9.0450   3.0756   11.199   5.5769  742.305  137.380  813.700  215.476 -71.39551 255.5450 
1 1 1   19   16    9 o  495.991  156.849   3.8971   2.7280   3.8971   2.7280   0.0000   0.0000  495.991  156.849  ?   ?  0.000000 156.8491 
1 1 1   19   16   11 o  676.252  128.380   7.5090   2.6190   7.6161   3.0014   7.1673   5.3622  677.823  145.745  670.507  220.581 7.315613 264.3817 
1 1 1   19   16   13 o  562.671  142.806   5.2570   2.5203   8.3826   2.7914  -8.5331   5.8632  714.877  129.467  361.781  174.284 353.0959 217.1098 
1 1 1   19   16   15 o  846.537  121.253   11.625   3.1223   12.664   3.5540   8.1098   6.5360  881.398  132.904  715.122  243.666 166.2762 277.5546 
1 1 1   19   16   17 o  480.882  165.585   3.4452   3.0201   4.0841   3.4522   1.3620   6.2342  518.898  177.086  531.844  222.774 -12.94531 284.5831 
1 1 1   19   16   19 o  380.188  153.446   1.1103   2.8191   1.0315   3.1656   1.4125   6.1968  395.104  161.441  530.695  222.184 -135.5909 274.6432 
1 1 1   19   16   21 o  763.318  155.849   9.7408   3.5990   9.5706   4.1952   10.215   7.0043  750.948  180.619  777.601  251.904 -26.65265 309.9665 
1 1 1   19   16   23 o  317.596  137.870  -0.2836   2.5448  -1.6516   2.7710   7.0819   6.4298  296.230  135.061  674.905  240.879 -378.6749 276.1596 
1 1 1   19   16   25 o  348.782  147.251   0.3513   2.7588  -0.9315   3.0520   6.0821   6.4507  329.888  146.788  640.806  239.265 -310.9179 280.7038 
1 1 1   19   16   27 f  575.312  172.951   5.6823   3.3680   4.2496   3.7740   11.287   7.4647  521.617  184.716  781.984  260.402 -260.3671 319.2638 
1 1 1   19   16   29 o  1069.95  123.880   19.043   4.0735   19.671   4.6230   16.862   8.6148  1079.12  140.124  908.420  277.397 170.7037 310.7788 
1 1 1   19   16   33 o  579.710  166.793   6.1988   3.1904   5.4604   3.4653   10.306   8.1732  545.461  177.223  693.767  266.955 -148.3062 320.4260 
1 1 1   19   16   35 o  715.505  156.431   9.4677   3.4070   7.9823   3.9023   14.230   6.9872  637.636  184.758  786.411  251.268 -148.7746 311.8830 
1 1 1   19   16   37 o  579.927  160.414   6.4900   3.0111   3.1390   3.3424   20.923   6.9366  437.424  170.043  967.750  231.936 -530.3256 287.5911 
1 1 1   19   17    0 o  377.624  161.669  -0.0640   3.4064 -10.7852   4.7528   11.261   4.8847  287.275  142.179  819.880  193.404 -532.6049 240.0410 
1 1 1   19   17    2 o  652.802  179.003   7.0649   3.7685   9.6574   5.4074   4.6166   5.2548  760.673  216.599  588.943  216.699 171.7299 306.3883 
1 1 1   19   17    4 o  765.664  231.104   9.7068   6.0048   0.0000   0.0000   9.7068   6.0048  ?   ?   765.664  231.104 0.000000 231.1037 
1 1 1   19   17    6 o  939.483  179.307   14.633   5.0823   14.633   5.0823   0.0000   0.0000  939.483  179.307  ?   ?  0.000000 179.3074 
1 1 1   19   17    8 o  1037.41  112.583   17.231   3.5984   20.191   4.3352   10.671   6.4525  1121.16  125.648  799.066  239.201 322.0967 270.1938 
1 1 1   19   17   10 o  999.651  112.972   16.023   3.4742   14.755   4.0964   19.274   6.5572  952.208  141.707  1073.55  202.489 -121.3454 247.1488 
1 1 1   19   17   12 o  336.864  162.914  -8.2061   5.2461   0.0000   0.0000  -8.2061   5.2461  ?   ?   336.864  162.914 0.000000 162.9137 
1 1 1   19   17   14 o  556.238  161.041   5.0823   2.9658   3.3044   3.3554   11.433   6.3416  486.285  173.961  820.520  234.887 -334.2343 292.2912 
1 1 1   19   17   16 o  453.690  156.659   3.0236   2.7042   0.8003   2.9946   12.848   6.2950  379.776  156.309  866.341  228.695 -486.5644 277.0092 
1 1 1   19   17   18 o  619.149  160.310   6.4037   3.1324   6.3831   3.5160   6.4833   6.8965  619.083  174.094  675.757  248.312 -56.67346 303.2614 
1 1 1   19   17   20 o  436.443  161.063   2.4851   2.9062   1.5402   3.2167   6.6826   6.7800  414.467  165.068  676.378  246.558 -261.9114 296.7124 
1 1 1   19   17   22 o  1186.87  113.990   22.668   4.1842   20.511   4.7622   29.969   8.7628  1121.17  138.601  1323.87  219.047 -202.7032 259.2137 
1 1 1   19   17   24 o  555.492  167.697   5.1528   3.1616   3.6572   3.4698   12.467   7.6735  497.402  177.011  834.453  262.972 -337.0508 316.9972 
1 1 1   19   17   26 o  388.103  153.998   1.5105   2.7902   1.3151   3.0151   2.6758   7.3626  391.570  158.463  575.599  241.650 -184.0296 288.9730 
1 1 1   19   17   28 o  1131.55  124.938   21.211   4.3529   20.675   4.9567   23.018   9.1006  1105.83  146.775  1080.41  269.815 25.41833 307.1532 
1 1 1   19   17   30 f  1117.05  146.114   21.354   4.9882   23.565   5.8736   15.634   9.4476  1160.23  166.444  852.453  292.906 307.7744 336.8940 
1 1 1   19   17   32 o  334.815  145.242   0.0947   2.8202   0.6511   3.0001  -4.1314   8.2687  359.988  152.855  468.120  220.151 -108.1322 268.0132 
1 1 1   19   17   34 o  618.867  276.589   5.5020   10.965   5.5020   10.965   0.0000   0.0000  618.867  276.589  ?   ?  0.000000 276.5886 
1 1 1   19   17   36 f  439.876  165.616   3.1814   3.1033   3.1814   3.1033   0.0000   0.0000  439.876  165.616  ?   ?  0.000000 165.6163 
1 1 1   19   17   38 o  575.182  264.860   6.4897   11.016   6.4897   11.016   0.0000   0.0000  575.182  264.860  ?   ?  0.000000 264.8600 
1 1 1   19   18    1 o  1078.92  135.280   18.749   4.4698   22.803   5.7813   12.725   7.0474  1185.59  159.803  869.811  247.135 315.7764 294.3004 
1 1 1   19   18    3 o  620.554  192.718   6.1911   4.1380   4.9567   5.7635   7.5043   5.9447  613.477  226.734  694.565  232.403 -81.08777 324.6831 
1 1 1   19   18    5 o  1051.23  221.503   18.581   7.0611   0.0000   0.0000   18.581   7.0611  ?   ?   1051.23  221.503 0.000000 221.5035 
1 1 1   19   18    7 o  537.632  220.798   1.8265   5.9591   0.0000   0.0000   1.8265   5.9591  ?   ?   537.632  220.798 0.000000 220.7981 
1 1 1   19   18    9 o  1279.50  164.347   26.607   6.4323   26.607   6.4323   0.0000   0.0000  1279.50  164.347  ?   ?  0.000000 164.3470 
1 1 1   19   18   11 o  602.156  165.055   5.9965   3.2048   4.0308   3.6605   12.450   6.6324  524.762  182.205  857.323  238.412 -332.5613 300.0654 
1 1 1   19   18   13 o  460.050  156.157   3.1558   2.6843   3.2181   2.9885   2.8959   6.1069  472.000  164.591  566.778  226.868 -94.77756 280.2842 
1 1 1   19   18   15 o  539.501  159.452   4.7443   2.8810   6.7053   3.1478  -5.3752   7.1508  634.690  158.786  456.620  211.369 178.0695 264.3669 
1 1 1   19   18   17 o  742.337  153.644   9.1443   3.4537   9.1443   3.4537   0.0000   0.0000  742.337  153.644  ?   ?  0.000000 153.6441 
1 1 1   19   18   19 o  516.295  165.813   4.2271   3.0398   6.6148   3.3485  -6.9574   7.2474  628.751  167.190  438.331  206.130 190.4201 265.4094 
1 1 1   19   18   21 o  476.947  160.391   3.4956   2.8316   3.2984   3.0809   4.5680   7.1855  475.106  167.035  629.559  247.975 -154.4531 298.9859 
1 1 1   19   18   23 o  315.671  137.116  -0.2744   2.5200  -0.7217   2.7034   2.6908   6.9606  314.588  139.151  575.034  237.659 -260.4460 275.3994 
1 1 1   19   18   25 o  539.891  187.755   4.6019   3.8876   4.6019   3.8876   0.0000   0.0000  539.891  187.755  ?   ?  0.000000 187.7554 
1 1 1   19   18   27 o  556.344  186.793   5.1776   3.8405   5.1776   3.8405   0.0000   0.0000  556.344  186.793  ?   ?  0.000000 186.7932 
1 1 1   19   18   29 o  496.799  179.373   3.8751   3.5761   3.8751   3.5761   0.0000   0.0000  496.799  179.373  ?   ?  0.000000 179.3731 
1 1 1   19   18   31 o  387.690  162.035   1.0665   3.2878   1.0665   3.2878   0.0000   0.0000  387.690  162.035  ?   ?  0.000000 162.0351 
1 1 1   19   18   33 o  340.254  147.358   0.1855   2.8934   0.1855   2.8934   0.0000   0.0000  340.254  147.358  ?   ?  0.000000 147.3578 
1 1 1   19   18   35 o  362.258  152.538   0.9656   2.9479  -1.0257   3.1423   15.583   8.5135  319.236  144.882  802.382  277.915 -483.1456 313.4127 
1 1 1   19   18   37 o  392.948  186.098  -3.3431   6.1023  -5.8193   11.999  -2.4792   7.0872  496.506  241.598  430.959  203.023 65.54712 315.5752 
1 1 1   19   19    0 o  602.253  202.386   5.5173   4.5085   5.5173   4.5085   0.0000   0.0000  602.253  202.386  ?   ?  0.000000 202.3863 
1 1 1   19   19    2 o  335.069  148.994  -1.1254   3.1393   1.7436   3.7079  -8.3875   5.8992  446.677  177.436  367.257  176.399 79.41983 250.1999 
1 1 1   19   19    4 o  455.957  174.250   2.3279   3.4673   2.2917   4.1580   2.4108   6.2819  482.458  189.072  563.883  228.543 -81.42490 296.6143 
1 1 1   19   19    6 o  1363.95  133.585   29.776   5.6320   40.252   7.2336   13.650   8.9748  1584.38  147.503  906.709  284.185 677.6663 320.1849 
1 1 1   19   19    8 o  1183.33  235.100   23.548   8.4042   0.0000   0.0000   23.548   8.4042  ?   ?   1183.33  235.100 0.000000 235.1002 
1 1 1   19   19   10 o  1186.83  237.163   23.736   8.5053   0.0000   0.0000   23.736   8.5053  ?   ?   1186.83  237.163 0.000000 237.1628 
1 1 1   19   19   12 o  810.041  163.571   10.851   4.0060   15.141   4.6564  -1.3665   7.8585  961.426  160.320  545.070  239.323 416.3563 288.0588 
1 1 1   19   19   14 o  1587.89  110.920   40.080   5.4804   40.805   6.4583   38.215   10.359  1597.75  130.223  1515.46  225.135 82.28503 260.0841 
1 1 1   19   19   16 o  712.261  166.404   8.4661   3.6443   8.4661   3.6443   0.0000   0.0000  712.261  166.404  ?   ?  0.000000 166.4043 
1 1 1   19   19   18 o  1072.96  123.988   18.561   4.0889   15.608   4.6636   28.375   8.5027  973.562  158.430  1298.10  216.833 -324.5369 268.5456 
1 1 1   19   19   20 o  855.821  150.121   12.133   3.8762   12.834   4.4305   9.8435   8.0035  875.540  167.713  777.091  269.444 98.44958 317.3769 
1 1 1   19   19   22 o  226.188  107.936  -2.7661   2.1319  -2.7661   2.1319   0.0000   0.0000  226.188  107.936  ?   ?  0.000000 107.9364 
1 1 1   19   19   24 o  1143.01  160.048   21.898   5.5712   21.898   5.5712   0.0000   0.0000  1143.01  160.048  ?   ?  0.000000 160.0484 
1 1 1   19   19   26 o  467.760  177.443   2.9102   3.5788   2.9102   3.5788   0.0000   0.0000  467.760  177.443  ?   ?  0.000000 177.4432 
1 1 1   19   19   28 o  478.310  177.090   3.3472   3.5191   7.0044   3.8302 -16.4582   8.9133  628.730  183.293  396.691  196.035 232.0392 268.3772 
1 1 1   19   19   30 o  607.625  179.785   6.6191   3.6609   6.6191   3.6609   0.0000   0.0000  607.625  179.785  ?   ?  0.000000 179.7854 
1 1 1   19   19   32 o  508.150  175.767   4.4024   3.4048   2.0134   3.6554   20.058   9.3573  429.455  174.239  950.867  288.827 -521.4125 337.3127 
1 1 1   19   19   34 o  346.654  149.489   0.3363   2.9522   0.5681   3.1103  -1.7702   9.3773  360.746  154.464  515.074  239.667 -154.3286 285.1305 
1 1 1   19   19   36 o  506.614  179.212   4.6727   3.5515   2.8287   3.7894   17.993   10.185  446.317  178.687  816.372  301.464 -370.0551 350.4424 
1 1 1   19   20    1 o  355.413  152.900  -0.2124   3.0735  -2.8119   3.4700   9.2531   6.6213  319.040  147.527  761.226  244.748 -442.1859 285.7718 
1 1 1   19   20    3 o  1484.73  109.505   34.963   5.0550   33.848   5.9523   37.847   9.5746  1456.49  131.946  1521.48  206.292 -64.98840 244.8802 
1 1 1   19   20    5 o  355.261  153.314  -0.2929   3.1098   0.3926   3.5627  -2.4869   6.3738  399.469  167.922  470.653  210.576 -71.18430 269.3324 
1 1 1   19   20    7 o  1272.75  114.598   25.784   4.5181   26.380   5.2067   23.970   9.0905  1284.24  131.326  1191.98  251.467 92.25427 283.6936 
1 1 1   19   20    9 o  927.442  153.946   14.033   4.3139   14.286   5.0295   13.328   8.3909  930.161  179.182  895.355  273.833 34.80609 327.2471 
1 1 1   19   20   11 o  526.220  208.984   2.5216   5.1426   4.7666   6.9711  -0.1590   7.6173  641.302  246.600  558.202  240.422 83.09991 344.4044 
1 1 1   19   20   13 o  1089.03  186.733   19.579   6.1385   29.522   8.5740   9.1234   8.7923  1334.55  212.289  785.966  281.552 548.5836 352.6164 
1 1 1   19   20   15 o  623.948  175.218   6.4447   3.5641   6.4447   3.5641   0.0000   0.0000  623.948  175.218  ?   ?  0.000000 175.2180 
1 1 1   19   20   17 o  1092.02  146.007   19.418   4.8675   19.418   4.8675   0.0000   0.0000  1092.02  146.007  ?   ?  0.000000 146.0070 
1 1 1   19   20   19 o  478.878  175.250   3.1101   3.4302   3.1101   3.4302   0.0000   0.0000  478.878  175.250  ?   ?  0.000000 175.2500 
1 1 1   19   20   21 o  499.556  175.240   3.7256   3.3901   3.7256   3.3901   0.0000   0.0000  499.556  175.240  ?   ?  0.000000 175.2402 
1 1 1   19   20   23 o  446.702  161.689   2.8271   2.9084   2.8271   2.9084   0.0000   0.0000  446.702  161.689  ?   ?  0.000000 161.6894 
1 1 1   19   20   25 o  779.940  160.417   10.404   3.7869   14.042   4.2044  -5.2342   8.7167  912.547  152.523  497.784  231.438 414.7625 277.1770 
1 1 1   19   20   27 o  426.681  161.918   2.3694   2.9806   2.3694   2.9806   0.0000   0.0000  426.681  161.918  ?   ?  0.000000 161.9180 
1 1 1   19   20   29 o  1137.72  130.911   21.591   4.5787   23.083   5.0950   15.329   10.438  1170.74  141.883  860.484  306.928 310.2537 338.1358 
1 1 1   19   20   31 o  268.301  126.499  -2.6947   2.7619  -2.6947   2.7619   0.0000   0.0000  268.301  126.499  ?   ?  0.000000 126.4995 
1 1 1   19   20   33 o  360.927  152.462   0.7221   2.9601   1.5785   3.1051  -7.8084   9.8001  394.372  160.373  474.100  227.623 -79.72824 278.4452 
1 1 1   19   21    0 o  481.234  204.428   0.2467   5.3703   0.8923   7.1563  -0.5856   8.1251  564.330  237.648  571.642  247.252 -7.311890 342.9435 
1 1 1   19   21    2 o  573.731  250.346  -1.2052   8.4815   0.0000   0.0000  -1.2052   8.4815  ?   ?   573.731  250.346 0.000000 250.3464 
1 1 1   19   21    4 o  633.089  228.896   5.4783   5.8262  -1.6742   7.7622   14.707   8.8172  539.998  237.456  939.615  279.242 -399.6170 366.5529 
1 1 1   19   21    6 o  606.086  183.344   5.9167   3.7763   7.2431   4.1496  -0.4765   9.1102  664.653  189.912  606.013  261.966 58.63995 323.5619 
1 1 1   19   21    8 o  198.390   98.493  -5.7037   2.3486  -5.3266   2.4515  -9.9159   8.1933  210.473  103.787  448.469  213.337 -237.9965 237.2435 
1 1 1   19   21   10 o  385.534  156.091   1.0279   2.9270   1.0279   2.9270   0.0000   0.0000  385.534  156.091  ?   ?  0.000000 156.0908 
1 1 1   19   21   12 o  1546.89  129.583   38.213   6.2188   38.213   6.2188   0.0000   0.0000  1546.89  129.583  ?   ?  0.000000 129.5829 
1 1 1   19   21   14 o  945.988  285.313   15.329   9.1548   15.329   9.1548   0.0000   0.0000  945.988  285.313  ?   ?  0.000000 285.3128 
1 1 1   19   21   16 o  465.091  203.936  -0.9288   5.6896   4.9314   8.3137  -6.0915   7.8033  672.163  266.104  471.345  219.089 200.8180 344.6906 
1 1 1   19   21   18 o  649.203  173.820   7.0969   3.6038   6.6411   4.0098   9.0119   8.2186  631.426  188.462  759.863  272.211 -128.4368 331.0841 
1 1 1   19   21   20 o  677.939  160.949   7.7668   3.3656   11.169   3.6829  -9.4569   8.2872  819.097  149.089  446.739  213.079 372.3582 260.0580 
1 1 1   19   21   22 o  264.094  122.393  -1.9425   2.4081  -1.6286   2.5078  -5.6560   8.6263  278.419  127.527  496.938  230.775 -218.5183 263.6667 
1 1 1   19   21   24 o  833.306  157.309   11.753   3.9542   11.753   3.9542   0.0000   0.0000  833.306  157.309  ?   ?  0.000000 157.3095 
1 1 1   19   21   26 o  382.581  183.642  -7.8279   6.3710 -10.1362   10.086  -6.2954   8.2181  488.433  233.548  467.824  219.840 20.60892 320.7400 
1 1 1   19   21   28 f  408.763  160.356   1.8914   2.9934   1.8914   2.9934   0.0000   0.0000  408.763  160.356  ?   ?  0.000000 160.3561 
1 1 1   19   21   30 o  332.545  143.482   0.0445   2.7226  -0.3567   2.8356   4.7821   9.7443  327.562  143.792  646.339  274.986 -318.7766 310.3113 
1 1 1   19   21   32 o  394.698  161.967   1.3796   3.2034   1.3217   3.3736   1.9099   10.214  399.938  165.386  598.368  267.223 -198.4297 314.2626 
1 1 1   19   22    1 o  827.625  318.202   8.1442   11.606   0.0000   0.0000   8.1442   11.606  ?   ?   827.625  318.202 0.000000 318.2021 
1 1 1   19   22    3 o  1045.84  291.822   18.477   9.9193   18.477   9.9193   0.0000   0.0000  1045.84  291.822  ?   ?  0.000000 291.8217 
1 1 1   19   22    5 o  496.833  228.153  -5.4945   8.0978  -5.4945   8.0978   0.0000   0.0000  496.833  228.153  ?   ?  0.000000 228.1533 
1 1 1   19   22    7 o  1040.26  279.931   18.393   9.3188   18.393   9.3188   0.0000   0.0000  1040.26  279.931  ?   ?  0.000000 279.9307 
1 1 1   19   22    9 o  894.208  190.071   13.300   5.1580   13.300   5.1580   0.0000   0.0000  894.208  190.071  ?   ?  0.000000 190.0713 
1 1 1   19   22   11 o  1057.85  135.797   18.059   4.3943   21.386   4.9912   6.5937   9.2662  1151.23  141.435  737.301  284.094 413.9247 317.3534 
1 1 1   19   22   13 o  361.538  156.236  -0.2898   3.2384   0.1997   3.5271  -2.9181   8.1730  390.621  165.792  530.190  237.744 -139.5698 289.8434 
1 1 1   19   22   15 o  839.937  145.566   11.601   3.6897   11.816   4.1752   10.837   7.8839  843.073  164.064  810.157  267.511 32.91620 313.8138 
1 1 1   19   22   17 o  652.296  264.545   4.0250   8.4228   0.0000   0.0000   4.0250   8.4228  ?   ?   652.296  264.545 0.000000 264.5452 
1 1 1   19   22   19 o  456.098  217.725 -10.0992   8.6905 -10.0992   8.6905   0.0000   0.0000  456.098  217.725  ?   ?  0.000000 217.7253 
1 1 1   19   22   21 o  977.398  285.176   17.476   9.2682   0.0000   0.0000   17.476   9.2682  ?   ?   977.398  285.176 0.000000 285.1755 
1 1 1   19   22   23 o  253.398  120.875  -3.3828   2.6683  -2.8488   2.8060  -8.4280   8.6248  272.462  128.171  465.229  220.596 -192.7673 255.1284 
1 1 1   19   22   25 o  358.729  151.891   0.3608   2.9491   1.7008   3.1225 -10.7072   8.9739  410.832  162.943  451.822  217.161 -40.98984 271.4952 
1 1 1   19   22   27 o  694.567  250.794   8.1599   6.9909   26.749   10.221  -8.1787   9.5827  1178.74  280.918  490.897  232.696 687.8383 364.7772 
1 1 1   19   22   29 f  312.932  139.194  -0.7435   2.7420  -0.6186   2.8627  -2.1316   9.5425  323.468  143.130  550.439  250.837 -226.9713 288.7997 
1 1 1   19   22   31 o  273.985  125.368  -1.3975   2.4151  -0.2282   2.4904 -19.8790   9.9007  310.438  135.552  402.280  200.132 -91.84259 241.7168 
1 1 1   19   23    0 o  2124.66  235.114   73.582   15.380   73.582   15.380   0.0000   0.0000  2124.66  235.114  ?   ?  0.000000 235.1138 
1 1 1   19   23    2 o  577.539  257.123  -3.0040   9.3780  -3.0040   9.3780   0.0000   0.0000  577.539  257.123  ?   ?  0.000000 257.1233 
1 1 1   19   23    4 o  515.027  223.766  -0.7843   6.7148  -6.2579   9.5561   4.5542   9.4375  540.427  248.052  705.405  282.143 -164.9777 375.6788 
1 1 1   19   23    6 o  430.182  198.067  -4.4443   6.1579  -6.0064   8.6734  -2.8565   8.7443  510.791  235.139  555.835  247.811 -45.04355 341.6148 
1 1 1   19   23    8 o  626.272  236.711   4.8379   6.3540  -9.4089   9.2597   17.516   8.7352  492.446  232.011  1012.66  270.396 -520.2112 356.2909 
1 1 1   19   23   10 o  434.293  196.596  -2.9034   5.7418 -18.4117   9.0257   7.6396   7.4419  406.241  200.094  723.670  259.052 -317.4291 327.3311 
1 1 1   19   23   12 o  380.917  180.290  -6.3841   5.7102 -17.0966   9.0269   0.7620   7.3727  414.650  203.411  563.250  239.404 -148.6002 314.1499 
1 1 1   19   23   14 o  427.430  174.028   1.2673   3.6621   3.5401   4.0348  -9.3584   8.7239  515.987  189.880  469.384  222.360 46.60217 292.4011 
1 1 1   19   23   16 f  309.619  140.045  -1.5065   2.9069  -1.6324   3.1020  -0.5998   8.3270  319.009  144.447  567.142  247.747 -248.1331 286.7815 
1 1 1   19   23   18 o  758.684  167.518   9.6860   3.8732   8.3355   4.2778   15.830   9.1237  701.083  190.086  944.844  284.797 -243.7617 342.4062 
1 1 1   19   23   20 o  695.224  249.444   7.4786   6.9039   11.071   10.923   5.0887   8.9092  836.029  311.505  679.671  273.324 156.3578 414.4165 
1 1 1   19   23   24 o  599.062  267.928  -1.4257   10.308  -1.4257   10.308   0.0000   0.0000  599.062  267.928  ?   ?  0.000000 267.9280 
1 1 1   19   23   26 o  347.577  152.235  -0.4511   3.1626  -0.4511   3.1626   0.0000   0.0000  347.577  152.235  ?   ?  0.000000 152.2348 
1 1 1   19   23   28 o  692.995  174.132   8.3886   3.7739   6.5736   4.0061   22.701   11.250  615.953  189.347  1055.30  315.827 -439.3490 368.2379 
1 1 1   19   24    1 o  677.476  249.174   6.1145   6.9468   14.352   9.5668  -3.0733   10.104  933.558  293.540  599.695  266.944 333.8632 396.7679 
1 1 1   19   24    3 o  1282.24  198.628   26.973   7.7170   42.517   10.815   10.847   11.015  1609.08  220.441  866.655  314.518 742.4301 384.0775 
1 1 1   19   24    5 o  662.258  274.137   2.6249   9.2822   0.0000   0.0000   2.6249   9.2822  ?   ?   662.258  274.137 0.000000 274.1367 
1 1 1   19   24    7 o  435.494  200.772  -4.6203   6.3556  -7.6401   9.4246  -2.1016   8.6073  517.191  240.525  560.662  248.131 -43.47101 345.5738 
1 1 1   19   24    9 o  430.085  207.267 -12.0845   8.3119   0.0000   0.0000 -12.0845   8.3119  ?   ?   430.085  207.267 0.000000 207.2672 
1 1 1   19   24   11 o  1021.78  290.110   18.115   9.7150   0.0000   0.0000   18.115   9.7150  ?   ?   1021.78  290.110 0.000000 290.1104 
1 1 1   19   24   13 o  541.517  229.145   0.8839   6.7052  -1.1425   10.167   2.4440   8.9203  620.100  272.239  641.629  267.425 -21.52875 381.6149 
1 1 1   19   24   15 o  848.891  320.152   10.448   11.607   10.448   11.607   0.0000   0.0000  848.891  320.152  ?   ?  0.000000 320.1517 
1 1 1   19   24   17 o  1281.32  148.071   26.708   5.8314   26.708   5.8314   0.0000   0.0000  1281.32  148.071  ?   ?  0.000000 148.0711 
1 1 1   19   24   19 o  405.493  167.098   0.9682   3.4274   2.7965   3.6971 -10.2100   9.1417  476.517  180.452  471.978  224.751 4.538818 288.2293 
1 1 1   19   24   21 o  208.118  103.941  -7.3666   2.7818  -8.2048   2.9270   0.4588   8.9435  209.004  104.712  597.061  258.825 -388.0571 279.2038 
1 1 1   19   24   23 o  677.294  179.588   7.8424   3.8706   5.0155   4.1519   26.613   10.699  565.732  194.185  1201.40  288.119 -635.6657 347.4482 
1 1 1   19   24   25 f  523.955  231.566  -0.7811   7.4713 -12.2974   11.139   8.6372   10.073  508.283  243.673  759.500  295.211 -251.2162 382.7873 
1 1 1   19   25    0 o  889.049  251.003   13.245   7.2937   26.278   10.311   0.1899   10.319  1243.91  272.269  653.140  280.550 590.7700 390.9459 
1 1 1   19   25    2 o  475.192  214.944  -3.4233   6.8482  -0.0000   9.9018  -6.5623   9.4816  636.969  274.231  533.050  245.558 103.9190 368.1052 
1 1 1   19   25    4 o  947.339  312.897   14.649   10.786   14.649   10.786   0.0000   0.0000  947.339  312.897  ?   ?  0.000000 312.8974 
1 1 1   19   25    6 o  391.354  188.038  -9.5005   6.7159 -26.4208   10.351   2.8022   8.8260  403.599  201.402  651.320  268.242 -247.7210 335.4352 
1 1 1   19   25    8 o  444.065  206.051  -5.5203   6.8555  -6.3516   10.467  -4.8958   9.0720  566.625  259.905  537.252  244.729 29.37311 356.9919 
1 1 1   19   25   10 o  509.327  224.967  -1.6455   7.0412  -6.4406   10.822   1.8741   9.2720  575.780  264.167  644.837  270.973 -69.05756 378.4320 
1 1 1   19   25   12 o  565.442  237.124   1.3803   7.0767   2.1763   11.204   0.8520   9.1277  700.604  296.322  621.453  265.312 79.15204 397.7402 
1 1 1   19   25   14 o  565.589  252.500  -2.6213   9.1112   0.0000   0.0000  -2.6213   9.1112  ?   ?   565.589  252.500 0.000000 252.5003 
1 1 1   19   25   16 o  1108.89  235.911   21.098   7.9395   24.347   12.106   18.645   10.517  1162.14  321.718  1026.74  304.941 135.4026 443.2737 
1 1 1   19   25   18 o  528.712  249.303 -10.0076   10.732 -10.0076   10.732   0.0000   0.0000  528.712  249.303  ?   ?  0.000000 249.3032 
1 1 1   19   25   20 o  544.085  186.564   4.5286   3.8319   3.6218   4.1467   9.8283   10.025  519.564  192.261  803.666  298.632 -284.1022 355.1700 
1 1 1   19   25   22 o  755.304  207.431   9.8247   5.0559   9.8247   5.0559   0.0000   0.0000  755.304  207.431  ?   ?  0.000000 207.4311 
1 1 1   19   25   24 o  907.026  184.592   14.056   5.0643   16.489   5.6504   4.1234   11.419  981.782  190.674  710.589  299.767 271.1940 355.2704 
1 1 1   19   26    1 o  1072.45  332.401   19.484   12.317   19.484   12.317   0.0000   0.0000  1072.45  332.401  ?   ?  0.000000 332.4012 
1 1 1   19   26    3 o  574.076  243.785   0.6343   7.6324   4.1315   11.567  -2.0627   10.158  749.365  307.670  614.050  270.765 135.3148 409.8470 
1 1 1   19   26    5 o  472.375  225.527 -11.7486   9.3313   0.0000   0.0000 -11.7486   9.3313  ?   ?   472.375  225.527 0.000000 225.5272 
1 1 1   19   26    7 o  474.249  218.096  -5.0835   7.4359   0.6031   12.085  -8.5478   9.4328  705.757  303.394  507.662  237.587 198.0954 385.3512 
1 1 1   19   26    9 o  700.711  263.892   6.3321   7.8799   16.286   12.637   0.0000   10.079  995.898  338.817  639.372  275.968 356.5260 436.9844 
1 1 1   19   26   11 o  880.270  272.640   12.988   8.2881   28.436   14.018   4.6850   10.277  1263.07  344.774  722.043  292.431 541.0270 452.0897 
1 1 1   19   26   13 o  456.259  225.432 -24.6813   11.768 -24.6813   11.768   0.0000   0.0000  456.259  225.432  ?   ?  0.000000 225.4321 
1 1 1   19   26   15 o  561.170  241.705   0.0886   7.6991 -14.2441   12.352   9.1958   9.8459  545.134  260.045  799.284  296.159 -254.1503 394.1239 
1 1 1   19   26   17 o  1022.82  312.005   18.462   10.903   0.0000   0.0000   18.462   10.903  ?   ?   1022.82  312.005 0.000000 312.0046 
1 1 1   19   26   19 o  630.694  275.275  -0.2508   10.261   0.0000   0.0000  -0.2508   10.261  ?   ?   630.694  275.275 0.000000 275.2750 
1 1 1   19   26   21 o  671.435  287.476   1.8167   10.772   0.0000   0.0000   1.8167   10.772  ?   ?   671.435  287.476 0.000000 287.4764 
1 1 1   19   27    0 o  427.345  205.401 -11.4143   8.0293 -36.6266   13.255   3.2001   10.092  443.425  222.257  697.123  286.936 -253.6978 362.9468 
1 1 1   19   27    2 o  538.846  242.917  -3.8766   8.6617 -11.7581   15.381  -0.2165   10.482  661.068  307.382  651.934  281.406 9.133789 416.7409 
1 1 1   19   27    4 o  632.549  275.238  -0.8803   10.189   0.0000   0.0000  -0.8803   10.189  ?   ?   632.549  275.238 0.000000 275.2379 
1 1 1   19   27    6 o  822.084  309.174   8.9659   10.809   0.0000   0.0000   8.9659   10.809  ?   ?   822.084  309.174 0.000000 309.1745 
1 1 1   19   27    8 o  895.277  352.746   9.3520   14.544   9.3520   14.544   0.0000   0.0000  895.277  352.746  ?   ?  0.000000 352.7459 
1 1 1   19   27   10 o  648.906  280.082   0.0000   10.382   0.0000   0.0000   0.0000   10.382  ?   ?   648.906  280.082 0.000000 280.0825 
1 1 1   19   27   12 o  739.796  297.205   5.2922   10.523   0.0000   0.0000   5.2922   10.523  ?   ?   739.796  297.205 0.000000 297.2047 
1 1 1   19   27   14 o  903.230  324.747   12.607   11.707   0.0000   0.0000   12.607   11.707  ?   ?   903.230  324.747 0.000000 324.7466 
1 1 1   19   27   16 o  798.003  308.697   8.1454   10.974   0.0000   0.0000   8.1454   10.974  ?   ?   798.003  308.697 0.000000 308.6973 
1 1 1   19   28    1 o  930.112  334.824   12.740   12.449   0.0000   0.0000   12.740   12.449  ?   ?   930.112  334.824 0.000000 334.8245 
1 1 1   19   28    3 o  370.237  184.578 -21.9402   8.6075 -38.1676   15.570 -14.7974   10.330  499.959  249.088  482.036  232.000 17.92264 340.3950 
1 1 1   19   28    7 o  942.303  331.391   13.698   12.127   0.0000   0.0000   13.698   12.127  ?   ?   942.303  331.391 0.000000 331.3907 
1 1 1   19   28    9 o  783.598  316.102   5.6671   11.957   0.0000   0.0000   5.6671   11.957  ?   ?   783.598  316.102 0.000000 316.1015 
1 1 1   19   28   11 o  526.332  255.994 -21.8069   13.431 -21.8069   13.431   0.0000   0.0000  526.332  255.994  ?   ?  0.000000 255.9941 
1 1 1   19   28   13 f  625.333  261.535   1.8881   8.5736 -25.1418   13.599   19.719   11.045  509.287  249.802  1067.11  311.305 -557.8262 399.1388 
1 1 1   19   29    0 o  933.294  336.675   12.687   12.594   0.0000   0.0000   12.687   12.594  ?   ?   933.294  336.675 0.000000 336.6750 
1 1 1   19   29    4 o  819.277  324.461   6.9367   12.364   0.0000   0.0000   6.9367   12.364  ?   ?   819.277  324.461 0.000000 324.4614 
1 1 1   19   29    6 o  1230.92  266.467   25.615   9.9727   40.858   17.242   17.952   12.225  1526.57  365.550  1039.58  332.382 486.9873 494.0688 
1 1 1   20    0    0 o  1299.79  101.338   27.116   4.0668   27.116   4.0668   27.116   4.0668  1299.79  101.338  1299.79  101.338 -0.000000 0.000000 
1 1 1   20    0    2 o  1991.31  109.685   63.194   6.7918   63.194   6.7918   63.194   6.7918  1991.31  109.685  1991.31  109.685 -0.000000 0.000000 
1 1 1   20    0    4 o  1302.55  101.137   27.247   4.0678   27.247   4.0678   27.247   4.0678  1302.55  101.137  1302.55  101.137 -0.000000 0.000000 
1 1 1   20    0    6 o  3119.90  130.405  155.272   12.689  155.272   12.689  155.272   12.689  3119.90  130.405  3119.90  130.405 -0.000000 0.000000 
1 1 1   20    0    8 o  652.342  128.400   7.4587   2.3333   7.4587   2.3333   7.4587   2.3333  652.342  128.400  652.342  128.400 -0.000000 0.000000 
1 1 1   20    0   10 o  2874.97  126.929  131.938   11.376  131.938   11.376  131.938   11.376  2874.97  126.929  2874.97  126.929 -0.000000 0.000000 
1 1 1   20    0   12 o  851.143  170.767   12.856   4.0361   12.856   4.0361   12.856   4.0361  851.143  170.767  851.143  170.767 -0.000000 0.000000 
1 1 1   20    0   14 o  385.603  153.468   3.2665   1.7909   3.2665   1.7909   3.2665   1.7909  385.603  153.468  385.603  153.468 -0.000000 0.000000 
1 1 1   20    0   16 o  216.959  132.267   0.6831   1.6941   0.6831   1.6941   0.6831   1.6941  216.959  132.267  216.959  132.267 -0.000000 0.000000 
1 1 1   20    0   18 o  483.879  161.332   4.7927   2.1781   4.7927   2.1781   4.7927   2.1781  483.879  161.332  483.879  161.332 -0.000000 0.000000 
1 1 1   20    0   20 o  217.187  134.200   0.5792   1.7981   0.5792   1.7981   0.5792   1.7981  217.187  134.200  217.187  134.200 -0.000000 0.000000 
1 1 1   20    0   22 o  554.102  161.703   5.9730   2.4362   5.9730   2.4362   5.9730   2.4362  554.102  161.703  554.102  161.703 -0.000000 0.000000 
1 1 1   20    0   24 o  486.672  171.459   4.9474   2.3722   4.9474   2.3722   4.9474   2.3722  486.672  171.459  486.672  171.459 -0.000000 0.000000 
1 1 1   20    0   26 o  1250.55  163.064   26.220   6.0850   26.220   6.0850   26.220   6.0850  1250.55  163.064  1250.55  163.064 -0.000000 0.000000 
1 1 1   20    0   28 o  541.581  175.319   5.9310   2.6280   5.9310   2.6280   5.9310   2.6280  541.581  175.319  541.581  175.319 -0.000000 0.000000 
1 1 1   20    0   30 o  732.881  222.011   10.713   4.4456   10.713   4.4456   10.713   4.4456  732.881  222.011  732.881  222.011 -0.000000 0.000000 
1 1 1   20    0   32 o  311.121  176.402   2.0727   2.6573   2.0727   2.6573   2.0727   2.6573  311.121  176.402  311.121  176.402 -0.000000 0.000000 
1 1 1   20    0   34 o  1476.89  115.959   35.211   5.2865   35.211   5.2865   35.211   5.2865  1476.89  115.959  1476.89  115.959 -0.000000 0.000000 
1 1 1   20    0   36 o  415.863  227.579   4.1079   4.2373   4.1079   4.2373   4.1079   4.2373  415.863  227.579  415.863  227.579 -0.000000 0.000000 
1 1 1   20    0   38 o  321.282  197.294   1.6181   3.8316   1.6181   3.8316   1.6181   3.8316  321.282  197.294  321.282  197.294 -0.000000 0.000000 
1 1 1   20    0   40 o  546.838  213.856   6.7756   3.5013   6.7756   3.5013   6.7756   3.5013  546.838  213.856  546.838  213.856 -0.000000 0.000000 
1 1 1   20    0   44 o  301.572  205.329  -2.2091   5.9425  -2.2091   5.9425  -2.2091   5.9425  301.572  205.329  301.572  205.329 -0.000000 0.000000 
1 1 1   20    0   46 o  678.293  233.542   10.155   4.4636   10.155   4.4636   10.155   4.4636  678.293  233.542  678.293  233.542 -0.000000 0.000000 
1 1 1   20    0   48 o  346.523  211.015   2.4431   4.3008   2.4431   4.3008   2.4431   4.3008  346.523  211.015  346.523  211.015 -0.000000 0.000000 
1 1 1   20    1    1 o  1349.20   70.647   28.784   2.9742   29.249   4.2004   28.316   4.2120  1353.52   99.811  1331.11  101.828 22.41284 142.5877 
1 1 1   20    1    3 o  2634.51   84.517  109.868   6.9721  112.800   9.8663  106.944   9.8537  2655.33  118.664  2584.01  121.783 71.32031 170.0357 
1 1 1   20    1    5 o  3549.43  116.477  201.653   12.945  191.866   22.394  206.565   15.865  3371.45  213.230  3573.64  141.775 -202.1880 256.0614 
1 1 1   20    1    7 o  2799.04   87.634  124.286   7.6807  119.765   10.848  128.830   10.876  2728.11  126.994  2832.05  122.645 -103.9377 176.5480 
1 1 1   20    1    9 o  1559.07   71.620   38.413   3.4964   34.043   4.9034   42.934   4.9868  1455.23  108.386  1638.99   97.612 -183.7535 145.8618 
1 1 1   20    1   11 f  498.732  104.249   4.1199   1.5756   4.4014   2.6950   3.9737   1.9420  514.331  154.731  487.116  126.276 27.21500 199.7187 
1 1 1   20    1   13 o  1542.83   84.289   37.962   4.0566   36.755   4.9704   40.370   7.0202  1510.11  105.783  1563.91  145.007 -53.80054 179.4910 
1 1 1   20    1   15 o  1410.50   72.439   31.647   3.1886   32.825   4.5142   30.474   4.5045  1425.82  101.779  1371.92  105.671 53.90479 146.7148 
1 1 1   20    1   17 o  1669.48   74.604   44.334   3.9000   44.090   5.5099   44.579   5.5209  1647.92  107.366  1657.31  106.959 -9.386963 151.5505 
1 1 1   20    1   19 o  1236.62   73.761   24.413   2.8432   24.035   3.9876   24.803   4.0549  1214.71  105.898  1234.08  105.962 -19.37341 149.8079 
1 1 1   20    1   21 o  541.367   95.852   4.8390   1.5654   5.2204   2.2329   4.4704   2.1951  553.480  130.893  511.789  135.025 41.69141 188.0551 
1 1 1   20    1   23 o  427.643  112.800   3.0717   1.5322   3.7599   2.1712   2.3889   2.1626  472.099  138.106  398.639  139.956 73.46057 196.6241 
1 1 1   20    1   25 o  881.110   79.873   12.478   2.1797   8.1983   3.0528   16.930   3.1133  690.996  145.683  1021.02   98.606 -330.0262 175.9167 
1 1 1   20    1   27 o  931.816   80.649   13.979   2.3299   15.307   3.2464   12.569   3.3459  964.652  109.413  865.699  127.226 98.95282 167.8021 
1 1 1   20    1   29 o  905.862   83.125   13.272   2.3315   13.122   3.2581   13.430   3.3379  885.509  120.645  895.217  122.274 -9.708252 171.7733 
1 1 1   20    1   31 o  1403.71   78.008   31.693   3.4152   33.447   4.8285   29.937   4.8311  1424.39  109.089  1342.76  116.043 81.62549 159.2685 
1 1 1   20    1   33 o  1151.22   97.396   21.777   3.4779   19.864   4.2844   25.473   5.9557  1080.21  129.232  1198.28  162.955 -118.0712 207.9787 
1 1 1   20    1   35 o  1890.57   82.706   58.169   4.8961   60.662   6.9033   55.646   6.9451  1892.16  117.090  1804.15  123.686 88.01917 170.3183 
1 1 1   20    1   37 o  483.404  155.731   4.4928   2.6798   9.2993   4.5411   1.9247   3.3193  650.771  201.851  392.447  163.313 258.3236 259.6440 
1 1 1   20    1   39 o  1343.63  102.633   31.812   4.2853   31.722   7.2156   31.861   5.3265  1172.05  204.023  1297.55  132.977 -125.4932 243.5331 
1 1 1   20    1   41 o  527.543  164.977   6.5157   3.0265   12.744   5.1010   3.1319   3.7598  657.210  215.091  395.738  169.647 261.4716 273.9417 
1 1 1   20    1   43 o  389.862  173.209   3.8640   4.2338   0.2711   5.7655   8.0689   6.2373  348.587  169.122  448.994  203.906 -100.4077 264.9149 
1 1 1   20    1   45 o  343.782  158.842   2.8226   4.0109   0.0000   0.0000   2.8226   4.0109  ?   ?   343.782  158.842 0.000000 158.8419 
1 1 1   20    1   47 o  293.714  138.867   1.5165   3.3710   12.030   6.7209  -2.0174   3.8966  393.261  188.729  257.192  127.546 136.0690 227.7861 
1 1 1   20    2    0 o  1706.96   73.398   45.968   3.9231   47.300   5.5416   44.629   5.5546  1722.17  103.240  1671.63  106.676 50.53772 148.4531 
1 1 1   20    2    2 o  3142.63   93.058  156.648   9.1572  154.923   12.943  158.377   12.958  3104.33  133.150  3139.56  131.808 -35.23804 187.3563 
1 1 1   20    2    4 o  1717.79   85.048   46.734   4.5746   49.235   5.6064   41.751   7.9128  1755.81  102.418  1593.26  160.809 162.5498 190.6540 
1 1 1   20    2    6 o  1875.28   87.134   55.760   5.1165   62.172   8.8512   52.542   6.2702  1953.36  145.760  1810.05  111.168 143.3140 183.3151 
1 1 1   20    2    8 o  738.901   88.381   8.7838   2.0043   8.5353   2.4393   9.3002   3.5165  722.623  111.381  742.158  156.262 -19.53540 191.8944 
1 1 1   20    2   10 o  1466.59   83.544   34.228   3.8207   35.091   6.6430   33.802   4.6704  1460.81  147.235  1451.19  103.459 9.626221 179.9502 
1 1 1   20    2   12 o  122.536   60.339  -1.7389   0.8189  -2.0982   1.1311  -1.3431   1.1871  150.023   73.258  174.776   82.564 -24.75282 110.3796 
1 1 1   20    2   14 o  1618.93   85.603   41.862   4.3240   40.071   5.2879   45.477   7.5122  1574.69  107.893  1657.03  146.286 -82.33923 181.7701 
1 1 1   20    2   16 o  1488.24   73.326   35.186   3.4170   34.489   4.8358   35.881   4.8291  1458.20  106.648  1488.59  104.260 -30.39685 149.1445 
1 1 1   20    2   18 o  381.987  110.823   2.4202   1.4032   0.7963   1.9608   4.1249   2.0090  315.221  127.710  492.464  128.814 -177.2435 181.3913 
1 1 1   20    2   20 o  378.176  110.708   2.3662   1.3947   0.1976   1.8807   5.0163   2.0791  286.257  121.256  543.786  124.752 -257.5289 173.9716 
1 1 1   20    2   22 o  525.657  100.806   4.5858   1.5989   4.9571   2.1768   4.1508   2.3561  539.850  130.266  494.730  143.624 45.11969 193.8999 
1 1 1   20    2   24 o  374.587  115.590   2.2878   1.4913   3.1608   2.0368   1.2790   2.1895  436.978  135.127  348.400  136.995 88.57776 192.4241 
1 1 1   20    2   26 o  253.248  104.967   0.3225   1.3635  -0.5865   1.8244   1.4724   2.0520  254.432  113.332  349.361  133.923 -94.92874 175.4410 
1 1 1   20    2   28 o  250.813  109.226  -0.1821   1.6074  -3.9514   2.6581   1.9910   2.0182  240.311  116.155  371.578  134.662 -131.2669 177.8369 
1 1 1   20    2   30 o  420.534  132.919   2.9537   1.9593   4.2539   2.3764   0.1933   3.4625  495.383  144.361  372.336  161.226 123.0479 216.4115 
1 1 1   20    2   32 o  600.304  126.822   6.2140   2.3092   6.1684   2.9000   6.2929   3.8172  587.914  155.236  587.679  185.505 0.2348633 241.8888 
1 1 1   20    2   34 o  425.729  171.718   2.2056   3.5280   0.0000   0.0000   2.2056   3.5280  ?   ?   425.729  171.718 0.000000 171.7184 
1 1 1   20    2   36 o  1905.96  120.309   62.726   7.1432   64.311   10.238   61.222   9.9710  1826.64  181.403  1782.54  181.159 44.09106 256.3703 
1 1 1   20    2   38 o  425.991  154.036   3.4336   2.6386   3.8279   4.8545   3.2682   3.1434  460.558  194.935  424.088  164.891 36.47012 255.3206 
1 1 1   20    2   40 o  876.380  220.577   20.264   6.0485   0.0000   0.0000   20.264   6.0485  ?   ?   876.380  220.577 0.000000 220.5774 
1 1 1   20    2   42 o  1326.75  156.153   38.951   6.3630   43.754   8.7172   33.473   9.3092  1192.89  241.660  840.013  290.631 352.8774 377.9760 
1 1 1   20    2   44 o  255.697  123.175  -1.6186   2.9280  -5.1821   5.7752  -0.3857   3.3969  293.605  147.096  289.807  137.716 3.797516 201.5013 
1 1 1   20    2   46 o  375.931  160.771   4.6643   3.3622   2.6950   6.3605   5.4279   3.9608  333.633  165.007  382.118  168.756 -48.48541 236.0215 
1 1 1   20    3    1 o  3291.63   96.134  171.961   9.9085  169.251   14.026  174.661   14.000  3242.30  138.150  3295.32  135.678 -53.02148 193.6333 
1 1 1   20    3    3 o  3452.69  112.983  190.364   12.215  198.288   14.990  174.703   21.074  3508.10  136.459  3225.88  209.769 282.2229 250.2477 
1 1 1   20    3    5 o  1558.89   73.458   38.382   3.5857   38.915   5.1078   37.864   5.0348  1559.17  105.238  1537.90  105.184 21.26855 148.7912 
1 1 1   20    3    7 o  248.087   99.589   0.4734   1.1805   1.1741   1.9361   0.0587   1.4894  333.639  129.495  253.508  107.673 80.13107 168.4111 
1 1 1   20    3    9 o  363.443  105.837   2.1530   1.2777   3.2739   1.8972   1.2225   1.7284  445.438  128.752  324.099  123.226 121.3387 178.2187 
1 1 1   20    3   11 o  951.903   74.227   14.426   2.1949   14.450   3.1672   14.404   3.0446  943.711  109.200  943.478  104.831 0.2331543 151.3742 
1 1 1   20    3   13 o  701.831   81.558   7.9268   1.7589   7.8219   2.5171   8.0269   2.4588  686.297  121.581  696.859  116.820 -10.56226 168.6089 
1 1 1   20    3   15 o  436.639  102.302   3.1834   1.3742   1.9961   1.9179   4.4361   1.9700  370.818  131.642  512.414  124.097 -141.5953 180.9137 
1 1 1   20    3   17 o  1527.15   73.105   37.063   3.4958   39.069   5.0127   35.163   4.8776  1553.21  103.664  1471.81  106.559 81.39636 148.6640 
1 1 1   20    3   19 o  908.176   87.151   13.306   2.4479   15.143   3.0310   9.8626   4.1510  964.321  101.925  746.375  179.757 217.9454 206.6429 
1 1 1   20    3   21 o  610.028   87.068   6.0588   1.6159   7.1765   2.2777   4.9262   2.2929  656.632  114.969  537.320  136.124 119.3113 178.1781 
1 1 1   20    3   23 o  1103.30  105.941   19.803   3.6149   19.674   5.1038   19.933   5.1208  1077.02  155.874  1084.56  155.215 -7.541138 219.9737 
1 1 1   20    3   25 o  326.939  131.315   0.9449   2.0537   0.0000   0.0000   0.9449   2.0537  ?   ?   326.939  131.315 0.000000 131.3151 
1 1 1   20    3   27 o  624.202  118.939   6.5628   2.2398   11.546   3.6163   3.4615   2.8529  821.072  146.007  465.324  160.896 355.7480 217.2687 
1 1 1   20    3   29 o  998.658  164.507   17.437   4.9651   17.437   4.9651   0.0000   0.0000  998.658  164.507  ?   ?  0.000000 164.5073 
1 1 1   20    3   31 o  508.251  147.291   4.5086   2.4799   4.0930   3.4563   4.9495   3.5603  498.555  176.747  534.157  179.848 -35.60205 252.1607 
1 1 1   20    3   33 f  1603.79  112.257   42.733   5.6018   49.214   7.9192   36.242   7.9252  1682.60  151.947  1411.24  183.701 271.3673 238.3990 
1 1 1   20    3   35 o  1858.37   94.630   57.019   5.4883   59.340   9.3935   55.816   6.7627  1798.89  168.738  1810.59  119.963 -11.70801 207.0350 
1 1 1   20    3   37 o  543.337  150.594   5.6979   2.6509   9.5396   4.6867   3.8907   3.2145  653.862  205.431  456.951  169.239 196.9112 266.1649 
1 1 1   20    3   39 o  966.697  115.872   17.029   3.4375   19.188   4.4222   13.733   5.4643  986.244  147.746  723.553  220.921 262.6912 265.7723 
1 1 1   20    3   41 o  333.914  154.852   0.1671   3.8640  -2.7471   4.8837   5.0451   6.3183  320.030  155.355  442.173  202.491 -122.1435 255.2215 
1 1 1   20    3   43 o  582.737  173.686   8.9050   3.4075   12.154   6.8676   7.8441   3.9246  504.190  222.463  508.237  187.234 -4.046661 290.7686 
1 1 1   20    3   45 o  303.254  137.513   1.3327   2.8231   6.3498   4.5146  -1.8891   3.6178  409.800  180.616  268.129  130.949 141.6710 223.0915 
1 1 1   20    3   47 o  240.572  117.328  -1.3672   2.8758  -4.2600   4.7564   0.2997   3.6105  256.107  128.986  279.050  135.003 -22.94232 186.7169 
1 1 1   20    4    0 o  2559.00   83.475  103.573   6.6887  111.820   9.5177   95.525   9.4019  2646.99  114.832  2440.04  123.457 206.9509 168.6064 
1 1 1   20    4    2 o  2972.57  104.347  140.647   9.7125  146.229   11.921  129.628   16.750  3019.61  126.083  2793.62  192.656 225.9941 230.2458 
1 1 1   20    4    4 o  291.585  101.868   1.2085   1.1450  -0.4551   1.7822   2.3779   1.4942  257.968  113.600  383.570  115.172 -125.6017 161.7700 
1 1 1   20    4    6 o  820.804   76.148   10.738   1.9348   11.221   2.8221   10.309   2.6578  831.227  111.215  796.602  109.444 34.62537 156.0340 
1 1 1   20    4    8 o  1886.58   87.386   56.471   5.1622   55.814   8.9058   56.803   6.3350  1843.53  155.736  1882.70  107.910 -39.16846 189.4683 
1 1 1   20    4   10 o  2141.77   90.139   72.929   6.0451   63.333   10.380   77.853   7.4362  1951.04  171.655  2205.75  107.666 -254.7096 202.6266 
1 1 1   20    4   12 o  244.778   99.781   0.3829   1.2057  -3.2165   2.0678   2.2369   1.4841  212.214  102.543  372.719  115.358 -160.5043 154.3457 
1 1 1   20    4   14 f  1309.17   84.035   27.399   3.4267   27.742   5.8626   27.222   4.2232  1290.37  147.762  1297.52  104.842 -7.154907 181.1783 
1 1 1   20    4   16 o  982.977  105.107   15.736   3.1850   16.017   4.4134   15.431   4.6010  973.411  149.583  950.053  160.372 23.35809 219.3046 
1 1 1   20    4   18 o  684.019   94.178   7.6348   1.9636   7.6676   3.2283   7.6156   2.4739  665.034  157.465  674.551  121.598 -9.517212 198.9509 
1 1 1   20    4   20 o  317.690  122.064   1.1600   1.7072   2.2604   2.4983   0.1961   2.3383  404.663  149.334  316.433  134.667 88.22995 201.0870 
1 1 1   20    4   22 o  659.933   99.926   7.1407   2.0003   7.8739   3.3734   6.7431   2.4841  673.899  161.889  631.997  129.869 41.90167 207.5425 
1 1 1   20    4   24 o  1374.54   84.660   30.265   3.6260   26.957   6.2482   31.945   4.4525  1259.76  162.165  1405.31  101.877 -145.5540 191.5108 
1 1 1   20    4   26 o  553.166  116.169   5.1541   1.9481   3.6540   3.1766   6.0584   2.4664  481.908  169.595  595.071  135.411 -113.1622 217.0224 
1 1 1   20    4   28 o  476.100  136.599   3.8727   2.1426   4.0685   3.1318   3.7003   2.9376  496.228  168.670  476.792  163.352 19.43558 234.8052 
1 1 1   20    4   30 o  329.275  119.993   1.5190   1.6057   1.7038   2.3433   1.3554   2.2046  370.552  142.841  349.579  137.463 20.97311 198.2408 
1 1 1   20    4   32 o  1438.99   89.497   33.602   4.0126   37.057   5.0187   27.478   6.6808  1499.92  107.572  1239.65  177.149 260.2621 207.2520 
1 1 1   20    4   34 o  340.734  130.070   1.5333   1.9306   2.8727   2.6689   0.0633   2.7960  425.445  154.754  330.569  144.005 94.87582 211.3905 
1 1 1   20    4   36 o  426.259  141.024   3.2410   2.1906   1.1864   3.1832   5.0894   3.0193  371.761  157.630  515.703  165.215 -143.9417 228.3485 
1 1 1   20    4   38 o  411.928  164.217   2.9286   3.1865  -6.1176   6.4535   5.8451   3.6643  353.318  173.048  519.128  182.186 -165.8099 251.2709 
1 1 1   20    4   40 o  315.412  134.946   1.0516   2.3706   1.8780   3.7701   0.5112   3.0487  375.283  165.246  323.948  145.236 51.33481 219.9996 
1 1 1   20    4   42 o  364.159  145.331   2.6891   2.4982  -3.0295   4.0108   6.3141   3.1933  285.177  138.967  499.058  170.315 -213.8804 219.8160 
1 1 1   20    4   44 f  329.712  149.111   1.7745   3.2939   0.0000   0.0000   1.7745   3.2939  ?   ?   329.712  149.111 0.000000 149.1112 
1 1 1   20    4   46 o  460.385  220.057   21.417   8.9376   0.0000   0.0000   21.417   8.9376  ?   ?   460.385  220.057 0.000000 220.0567 
1 1 1   20    5    1 o  925.021  106.479   13.794   3.0278   16.321   4.3501   11.420   4.2171  996.445  143.564  822.858  169.317 173.5869 221.9882 
1 1 1   20    5    3 o  2784.55  101.037  123.309   8.8095  133.384   15.308  118.320   10.772  2849.64  172.372  2715.60  126.682 134.0369 213.9165 
1 1 1   20    5    5 o  1668.13   85.330   44.185   4.4422   46.822   7.7312   42.886   5.4275  1694.45  147.176  1636.97  106.466 57.47791 181.6472 
1 1 1   20    5    7 o  1126.62   82.347   20.203   2.8848   20.465   5.0101   20.074   3.5285  1114.51  147.164  1118.15  101.897 -3.643066 178.9982 
1 1 1   20    5    9 o  295.155  107.954   1.1369   1.3013  -0.4081   2.2383   1.9258   1.5995  292.783  128.158  357.108  120.543 -64.32455 175.9410 
1 1 1   20    5   11 o  1290.25   81.757   26.516   3.2860   26.550   5.7029   26.499   4.0204  1267.87  146.338  1284.19  100.793 -16.31641 177.6908 
1 1 1   20    5   13 o  872.967  109.023   12.429   2.9151   0.0000   0.0000   12.429   2.9151  ?   ?   872.967  109.023 0.000000 109.0228 
1 1 1   20    5   15 o  450.698  130.078   3.3984   1.9377   1.4169   2.6398   5.7134   2.8533  376.937  149.720  576.582  154.788 -199.6449 215.3500 
1 1 1   20    5   17 o  1177.99   83.746   22.236   3.0689   21.250   5.2153   22.759   3.7956  1122.55  152.307  1184.81  103.344 -62.26050 184.0582 
1 1 1   20    5   19 o  1252.52   84.804   25.132   3.3064   28.284   5.7909   23.607   4.0274  1302.34  144.438  1205.35  107.847 96.98669 180.2588 
1 1 1   20    5   21 o  830.748   81.625   11.085   2.0959   12.023   2.9953   10.186   2.9337  855.460  114.712  783.284  123.720 72.17645 168.7170 
1 1 1   20    5   23 o  460.894  121.051   3.5751   1.7695   2.1864   2.2312   5.9293   2.9049  392.016  141.662  586.839  155.569 -194.8231 210.4037 
1 1 1   20    5   25 o  1547.03   87.722   38.389   4.2319   38.571   5.2451   38.048   7.1631  1540.58  109.443  1503.45  154.348 37.12451 189.2115 
1 1 1   20    5   27 o  1291.63   88.317   26.869   3.5505   27.624   4.4221   25.499   5.9560  1300.08  109.650  1220.84  159.626 79.23535 193.6588 
1 1 1   20    5   29 f  1296.57   86.848   27.113   3.5055   31.998   4.4262   18.892   5.7417  1401.71  101.535  1028.86  185.029 372.8503 211.0570 
1 1 1   20    5   31 o  691.006  115.441   8.0284   2.4097   7.8835   3.2866   8.1969   3.5436  666.355  159.616  676.106  168.098 -9.750732 231.8062 
1 1 1   20    5   33 o  1288.44   92.015   27.101   3.6879   28.038   4.7647   25.700   5.8243  1293.22  118.999  1208.69  157.645 84.53186 197.5163 
1 1 1   20    5   35 o  925.188  102.109   14.385   2.9088   17.546   3.9672   10.710   4.2777  1003.27  129.292  741.010  184.947 262.2568 225.6584 
1 1 1   20    5   37 o  542.984  166.247   5.9315   3.0918   2.5862   7.1661   6.6967   3.4272  480.430  218.328  570.078  175.113 -89.64786 279.8783 
1 1 1   20    5   39 o  562.808  144.197   6.3611   2.5526   7.6705   4.4833   5.7330   3.1051  553.960  200.714  512.706  167.815 41.25415 261.6253 
1 1 1   20    5   41 o  239.611  112.512  -1.2029   2.1456  -1.7440   3.7666  -0.9431   2.6105  300.428  143.393  269.030  125.606 31.39841 190.6264 
1 1 1   20    5   43 f  295.061  133.971   0.5068   2.6907  -2.0940   4.3126   2.1647   3.4431  298.723  145.237  350.311  155.892 -51.58798 213.0634 
1 1 1   20    5   45 o  361.941  160.478   3.5543   3.6165   4.3613   8.4154   3.3715   4.0052  366.698  182.764  357.182  162.667 9.516571 244.6701 
1 1 1   20    5   47 o  286.061  137.292   0.7558   3.5580   0.0000   0.0000   0.7558   3.5580  ?   ?   286.061  137.292 0.000000 137.2917 
1 1 1   20    6    0 f  906.315  105.662   13.238   2.9423   15.681   4.1294   10.720   4.1934  978.192  138.702  795.963  173.175 182.2287 221.8738 
1 1 1   20    6    2 o  2462.70   95.602   96.257   7.3722   89.028   12.745   99.892   9.0377  2325.18  176.359  2501.04  115.404 -175.8618 210.7617 
1 1 1   20    6    4 o  1012.92   83.072   16.341   2.6116   16.158   4.4298   16.438   3.2333  989.635  147.454  1011.26  103.571 -21.62158 180.1937 
1 1 1   20    6    6 o  1736.48   85.801   47.778   4.6653   50.002   8.1255   46.684   5.6981  1749.59  149.761  1707.66  107.107 41.92749 184.1205 
1 1 1   20    6    8 o  1049.42  102.919   17.720   3.3384   0.0000   0.0000   17.720   3.3384  ?   ?   1049.42  102.919 0.000000 102.9186 
1 1 1   20    6   10 o  1063.52  101.974   18.218   3.3542   20.396   4.8638   16.242   4.6318  1111.65  143.051  985.649  155.210 125.9953 211.0776 
1 1 1   20    6   12 o  924.459   86.970   13.714   2.4879   13.018   4.2322   14.081   3.0754  876.080  160.182  931.046  107.465 -54.96606 192.8911 
1 1 1   20    6   14 o  523.101   98.773   4.5196   1.5586   5.7918   2.2640   3.3736   2.1488  586.457  126.968  452.059  138.626 134.3976 187.9839 
1 1 1   20    6   16 o  725.858   98.595   8.5935   2.1829   8.2037   2.7071   9.3182   3.6910  699.679  128.291  733.826  164.679 -34.14697 208.7528 
1 1 1   20    6   18 o  1432.02   73.761   32.624   3.2962   29.320   4.6848   35.863   4.6387  1343.24  112.417  1491.97   99.870 -148.7279 150.3714 
1 1 1   20    6   20 o  688.753   88.104   7.6801   1.8565   10.161   2.7592   5.6282   2.5096  785.589  115.629  575.203  140.535 210.3856 181.9891 
1 1 1   20    6   22 f  539.092  103.608   4.8142   1.6854   5.4289   2.4293   4.2438   2.3402  565.147  138.385  501.384  142.397 63.76300 198.5630 
1 1 1   20    6   24 o  1056.29   78.950   17.845   2.5924   17.708   3.7025   17.976   3.6310  1039.89  115.667  1049.13  112.272 -9.243774 161.1951 
1 1 1   20    6   26 o  264.210  110.621   0.2658   1.5362   0.3140   2.2129   0.2209   2.1341  312.224  131.853  303.943  128.981 8.281372 184.4489 
1 1 1   20    6   28 o  877.752   96.498   12.555   2.6084   16.001   3.4388   7.8854   4.0029  985.213  113.548  662.888  185.526 322.3244 217.5156 
1 1 1   20    6   30 o  637.567  115.544   6.8369   2.2218   13.130   3.6421   3.1072   2.8039  879.246  136.731  447.180  159.124 432.0666 209.7998 
1 1 1   20    6   32 o  1254.74  114.856   26.139   4.4625   31.541   6.1050   19.940   6.5392  1356.41  146.041  1028.96  210.065 327.4526 255.8423 
1 1 1   20    6   34 o  681.365  112.380   7.9082   2.3140   13.747   4.1234   5.2242   2.7958  874.162  156.385  535.900  156.704 338.2628 221.3874 
1 1 1   20    6   36 o  1024.94  102.333   17.857   3.2403   19.895   4.3644   15.354   4.8369  1052.62  135.566  880.121  181.541 172.4976 226.5733 
1 1 1   20    6   38 o  820.378  117.490   12.151   2.9319   13.648   4.0630   10.525   4.2350  822.256  163.562  686.940  190.327 135.3156 250.9519 
1 1 1   20    6   40 o  495.900  184.662   5.9880   3.8373   5.9880   3.8373   0.0000   0.0000  495.900  184.662  ?   ?  0.000000 184.6623 
1 1 1   20    6   42 o  293.879  130.958   0.5613   2.4388   0.4491   6.2219   0.5817   2.6509  371.436  179.082  301.766  135.352 69.67001 224.4778 
1 1 1   20    6   44 o  287.117  132.341   0.2941   2.7594   0.0000   0.0000   0.2941   2.7594  ?   ?   287.117  132.341 0.000000 132.3407 
1 1 1   20    6   46 o  274.595  128.166   0.3986   2.7149   0.0000   0.0000   0.3986   2.7149  ?   ?   274.595  128.166 0.000000 128.1663 
1 1 1   20    7    1 o  1331.58   72.255   28.052   3.0014   29.054   4.2858   27.088   4.2045  1348.29  102.278  1301.13  104.070 47.15625 145.9158 
1 1 1   20    7    3 o  478.531   94.649   3.7569   1.3680   4.4268   1.9361   3.0890   1.9331  515.942  121.798  436.032  131.016 79.91010 178.8858 
1 1 1   20    7    5 o  964.391   75.620   14.781   2.2652   13.573   3.2375   15.939   3.1706  914.679  115.621  995.547  103.209 -80.86896 154.9852 
1 1 1   20    7    7 o  1055.21   86.939   17.771   2.8470   17.908   5.2220   17.713   3.3962  1034.10  166.958  1049.01  104.795 -14.90527 197.1219 
1 1 1   20    7    9 o  1843.74   76.273   53.796   4.4034   54.934   6.2852   52.699   6.1710  1849.90  108.988  1811.62  109.298 38.28027 154.3513 
1 1 1   20    7   11 o  903.335   87.651   13.095   2.4481   12.357   4.2250   13.468   3.0037  852.432  164.247  910.821  107.382 -58.38885 196.2343 
1 1 1   20    7   13 o  377.152  113.106   2.3210   1.4417   1.7777   2.1753   2.7467   1.9253  371.628  138.907  413.346  131.880 -41.71811 191.5394 
1 1 1   20    7   15 o  1532.75   74.481   37.268   3.5746   39.647   5.1041   34.978   5.0079  1567.81  104.570  1470.07  109.580 97.74182 151.4678 
1 1 1   20    7   17 o  579.507  108.183   5.5632   1.8909   4.9879   2.3461   6.6297   3.1943  542.253  137.867  620.431  162.494 -78.17841 213.0997 
1 1 1   20    7   19 o  463.896  117.909   3.6055   1.7164   6.0810   2.3801   0.9232   2.4775  601.092  130.219  351.490  143.128 249.6013 193.5009 
1 1 1   20    7   21 o  1166.19   86.993   21.771   3.1538   23.955   4.0018   18.192   5.1236  1217.26  106.051  1036.84  163.210 180.4244 194.6388 
1 1 1   20    7   23 o  512.311  124.211   4.4242   1.9719   7.4975   2.6524   0.6266   2.9485  667.785  131.529  365.757  153.205 302.0284 201.9196 
1 1 1   20    7   25 o  411.335  134.289   2.7098   1.9888   2.9541   2.8134   2.4659   2.8118  445.241  159.291  424.705  158.089 20.53571 224.4227 
1 1 1   20    7   27 o  424.931  130.215   2.9940   1.8963   1.9014   2.5910   4.2543   2.7829  392.013  150.436  502.415  158.370 -110.4012 218.4303 
1 1 1   20    7   29 f  614.237  122.531   6.3837   2.2741   3.8380   3.1138   9.2934   3.3290  486.898  168.106  733.067  150.080 -246.1690 225.3527 
1 1 1   20    7   31 o  1196.45   97.803   23.329   3.6320   20.382   4.7239   27.591   5.6803  1095.00  141.055  1273.30  145.058 -178.2963 202.3324 
1 1 1   20    7   33 o  854.225  116.952   12.317   3.0461   15.695   4.4421   9.3188   4.1850  941.543  156.143  704.154  186.750 237.3887 243.4265 
1 1 1   20    7   35 o  1326.83  117.277   30.169   4.8223   34.557   7.7182   27.359   6.1761  1334.24  190.120  1212.10  167.176 122.1361 253.1662 
1 1 1   20    7   37 o  351.513  146.990   1.3409   2.7076   0.0000   0.0000   1.3409   2.7076  ?   ?   351.513  146.990 0.000000 146.9904 
1 1 1   20    7   39 o  383.552  172.512   1.2650   4.3392   5.2073   6.1708  -2.5909   6.1028  480.385  211.469  369.227  177.856 111.1574 276.3186 
1 1 1   20    7   41 o  1244.83  108.541   28.545   4.1885   49.560   8.6991   22.203   4.7789  1412.51  202.472  1026.64  153.360 385.8740 253.9965 
1 1 1   20    7   43 o  550.101  162.473   7.4035   2.9922   16.547   7.4258   5.6312   3.2693  576.479  242.387  459.908  170.608 116.5710 296.4093 
1 1 1   20    7   45 o  395.357  160.651   4.4446   3.1129  -8.5344   8.4235   6.4974   3.3501  ?   ?   459.260  172.240 0.000000 172.2397 
1 1 1   20    8    0 o  905.847   77.016   13.047   2.1638   10.638   3.0650   15.440   3.0552  806.399  125.462  981.018  100.896 -174.6180 160.9988 
1 1 1   20    8    2 o  1065.30   73.557   17.993   2.4386   14.944   3.4258   21.124   3.4721  960.918  116.218  1149.61   97.370 -188.6954 151.6166 
1 1 1   20    8    4 o  1461.11   73.034   33.699   3.3414   33.607   4.7661   33.787   4.6857  1449.01  105.775  1453.53  103.632 -4.519287 148.0809 
1 1 1   20    8    6 o  164.529   79.085  -1.7528   1.1907  -1.1922   2.8517  -1.8712   1.3104  312.189  140.180  173.891   83.420 138.2976 163.1238 
1 1 1   20    8    8 o  328.724  111.818   1.6082   1.3764   2.2692   1.9099   0.8940   1.9853  387.689  131.718  323.791  129.443 63.89835 184.6752 
1 1 1   20    8   10 o  398.164  110.860   2.6182   1.4331   1.8745   1.8838   3.6401   2.2081  364.846  130.364  469.289  139.804 -104.4426 191.1543 
1 1 1   20    8   12 o  483.439  111.134   3.8998   1.6471   4.3637   2.2504   3.3647   2.4172  508.981  137.814  457.270  147.969 51.71198 202.2066 
1 1 1   20    8   14 o  609.607  100.565   6.0948   1.8527   5.0975   2.5574   7.1962   2.6876  548.005  146.298  653.630  135.751 -105.6259 199.5788 
1 1 1   20    8   16 o  296.210  116.464   0.8561   1.5823   0.1037   1.9752   2.2038   2.6435  290.860  123.778  410.052  153.156 -119.1913 196.9205 
1 1 1   20    8   18 o  144.590   71.670  -2.8750   1.2247  -5.4482   1.6707   0.1134   1.8004  149.340   75.365  278.997  118.436 -129.6570 140.3816 
1 1 1   20    8   20 o  707.969  108.016   8.2091   2.3187   7.3726   3.0074   9.4352   3.6409  658.809  149.245  743.360  161.073 -84.55133 219.5878 
1 1 1   20    8   22 o  930.461  110.152   14.098   3.1470   12.495   4.4325   15.727   4.4688  852.659  171.953  967.550  152.556 -114.8915 229.8723 
1 1 1   20    8   24 f  407.826  132.167   2.6600   1.9280  -0.1843   2.5966   6.1552   2.8784  320.986  139.303  598.798  152.961 -277.8122 206.8877 
1 1 1   20    8   26 f  405.648  132.483   2.6329   1.9356   1.4717   2.6536   3.9532   2.8296  378.958  150.240  490.209  160.186 -111.2518 219.6169 
1 1 1   20    8   28 o  843.472  102.940   11.640   2.6624   8.8703   3.4642   15.636   4.1612  714.206  158.992  962.440  142.377 -248.2338 213.4237 
1 1 1   20    8   30 o  921.140   98.696   13.851   2.8024   14.292   3.5936   13.167   4.4766  923.643  127.667  864.308  171.465 59.33527 213.7737 
1 1 1   20    8   32 o  1563.13  109.177   40.271   5.3102   38.756   7.5516   41.752   7.4685  1487.22  164.938  1552.86  155.695 -65.63574 226.8160 
1 1 1   20    8   34 o  1113.81  111.062   20.922   3.8218   18.583   7.4680   21.753   4.4484  917.791  252.119  1122.37  128.916 -204.5781 283.1669 
1 1 1   20    8   36 o  644.804  145.506   7.7918   2.8680   8.7094   6.4531   7.5660   3.2016  608.217  236.318  622.603  162.495 -14.38562 286.7938 
1 1 1   20    8   38 o  1070.99  177.984   23.854   5.7593   13.067   8.1723   34.497   8.1176  635.382  259.479  1212.44  222.003 -577.0605 341.4891 
1 1 1   20    8   40 o  709.735  146.214   10.213   3.1412   8.2967   7.3686   10.639   3.4726  513.356  228.270  707.554  160.436 -194.1982 279.0107 
1 1 1   20    8   42 o  241.339  112.269  -0.8265   2.0557  -2.0928   7.1923  -0.7138   2.1452  363.996  179.157  248.891  115.408 115.1042 213.1108 
1 1 1   20    8   44 o  323.707  140.586   1.7607   2.6484   0.3375   7.8632   1.9428   2.8128  362.483  180.003  331.470  144.415 31.01254 230.7745 
1 1 1   20    8   46 o  705.996  135.329   11.415   2.8828   15.253   4.9175   9.4057   3.5583  619.948  211.352  540.221  179.783 79.72797 277.4740 
1 1 1   20    9    1 o  328.862  114.004   1.5612   1.4327   1.4293   1.9720   1.7087   2.0851  348.258  131.813  367.137  136.239 -18.87952 189.5669 
1 1 1   20    9    3 o  409.947  115.343   2.7584   1.5429   2.7234   2.0579   2.8033   2.3317  417.961  136.609  429.826  145.541 -11.86426 199.6102 
1 1 1   20    9    5 o  577.062  113.004   5.4952   1.9688   10.472   3.7956   3.6633   2.3029  789.064  159.114  473.448  143.165 315.6151 214.0415 
1 1 1   20    9    7 o  565.797   99.158   5.2399   1.6927   6.6976   2.4267   3.8587   2.3622  634.741  126.537  484.021  144.694 150.7199 192.2184 
1 1 1   20    9    9 o  690.890   85.908   7.6896   1.8184   8.1193   2.5825   7.2671   2.5608  700.909  122.105  660.551  128.433 40.35803 177.2138 
1 1 1   20    9   11 o  357.888  130.172   1.7389   1.8883   3.0673   2.4378  -0.2539   2.9858  443.503  148.823  343.510  149.230 99.99377 210.7551 
1 1 1   20    9   13 o  1450.12   86.538   33.544   3.9115   32.923   4.7851   34.794   6.7903  1429.37  107.705  1449.95  151.813 -20.57861 186.1383 
1 1 1   20    9   15 o  238.360  102.577  -0.0808   1.3842   0.1283   1.6372  -0.6048   2.5921  267.596  113.231  309.953  136.721 -42.35721 177.5218 
1 1 1   20    9   17 o  2457.83   97.772   96.328   7.5246   90.711   9.2272  107.479   13.001  2368.59  124.854  2550.36  163.662 -181.7712 205.8487 
1 1 1   20    9   19 o  885.674   99.031   12.662   2.6994   10.128   3.3506   17.348   4.5566  778.025  142.798  1022.43  146.515 -244.4109 204.5918 
1 1 1   20    9   21 o  996.339   97.455   15.987   3.0014   13.683   3.8221   19.694   4.8478  907.848  138.869  1089.64  145.735 -181.7917 201.3036 
1 1 1   20    9   23 o  887.058   97.759   12.728   2.6703   12.953   3.4762   12.403   4.1706  884.754  129.294  853.043  162.064 31.71088 207.3199 
1 1 1   20    9   25 o  1201.11   82.985   23.077   3.1019   26.026   4.3081   19.902   4.4699  1266.15  109.748  1096.72  132.875 169.4321 172.3387 
1 1 1   20    9   27 o  661.621  116.225   7.2893   2.3200   9.9609   3.6612   5.4969   2.9989  759.842  158.988  564.711  161.478 195.1315 226.6104 
1 1 1   20    9   29 o  1197.95   82.590   23.029   3.0791   18.964   4.4879   26.644   4.2323  1063.32  138.050  1278.93  106.657 -215.6138 174.4519 
1 1 1   20    9   31 o  234.206  104.821  -0.5820   1.5807  -4.7317   2.3964   2.6142   2.1032  210.826  103.700  405.459  138.221 -194.6323 172.7962 
1 1 1   20    9   33 o  781.923  131.205   10.587   3.0986   4.2523   6.3641   12.556   3.5475  547.034  226.761  848.647  138.260 -301.6137 265.5871 
1 1 1   20    9   35 o  506.978  150.851   4.7906   2.5720   2.5713   6.4376   5.2121   2.8056  490.047  215.848  525.353  157.835 -35.30566 267.3987 
1 1 1   20    9   37 o  455.010  191.735   3.3931   4.6630   1.7878   6.2678   5.3830   6.9783  450.138  204.417  518.556  226.654 -68.41742 305.2185 
1 1 1   20    9   39 o  431.529  152.872   3.7250   2.5851   5.2922   7.0706   3.4832   2.7774  486.679  219.430  421.152  157.049 65.52725 269.8406 
1 1 1   20    9   41 f  891.177  135.318   15.745   3.6573   23.602   8.3792   13.896   4.0650  766.344  274.823  790.329  169.357 -23.98511 322.8153 
1 1 1   20    9   43 o  610.099  148.080   8.2555   2.8003   10.739   4.2117   6.2877   3.7490  613.849  194.970  473.689  181.152 140.1599 266.1377 
1 1 1   20    9   45 o  310.399  130.821   1.7742   2.1714   4.4672   3.9391   0.5986   2.6026  388.194  169.965  285.913  130.565 102.2805 214.3257 
1 1 1   20   10    0 o  655.940  111.254   7.0354   2.2034   5.2209   2.6411   11.190   3.9965  558.798  148.431  817.150  161.915 -258.3517 219.6546 
1 1 1   20   10    2 o  1629.20  110.173   42.494   5.5874   42.494   5.5874   0.0000   0.0000  1629.20  110.173  ?   ?  0.000000 110.1734 
1 1 1   20   10    4 o  824.731  130.826   11.184   3.2657   5.0012   4.6304   17.304   4.6066  576.229  204.545  1024.18  147.930 -447.9523 252.4320 
1 1 1   20   10    6 o  943.550   91.581   14.265   2.6717   15.021   3.2657   12.736   4.6457  963.658  110.211  864.977  177.475 98.68018 208.9112 
1 1 1   20   10    8 o  333.555  115.389   1.6249   1.4674   1.7018   1.8847   1.5066   2.3384  356.415  129.984  368.901  142.555 -12.48685 192.9187 
1 1 1   20   10   10 o  328.739  120.650   1.4157   1.6274   1.7090   1.9794   0.8039   2.8590  360.850  132.965  369.071  152.406 -8.221069 202.2555 
1 1 1   20   10   12 o  1266.00  104.715   25.775   4.1138   23.404   5.6607   28.429   5.9888  1186.95  156.092  1313.31  148.225 -126.3651 215.2564 
1 1 1   20   10   14 o  488.246  121.327   3.9797   1.8467   3.1753   2.2523   5.6300   3.2260  445.595  142.688  577.991  168.134 -132.3963 220.5195 
1 1 1   20   10   16 o  871.953   89.510   12.193   2.4092   10.719   3.3471   13.778   3.4706  803.786  137.955  918.136  123.883 -114.3510 185.4147 
1 1 1   20   10   18 o  518.828  119.113   4.4869   1.8942   8.1854   2.5697   0.0861   2.8031  704.737  120.796  343.702  146.887 361.0354 190.1780 
1 1 1   20   10   20 o  1209.41   79.211   23.268   2.9831   23.491   4.1476   23.029   4.2937  1206.12  111.070  1192.32  116.494 13.79382 160.9579 
1 1 1   20   10   22 o  1021.25   96.515   16.784   3.0498   15.462   4.8844   17.629   3.9044  953.629  169.800  1038.57  122.411 -84.93945 209.3243 
1 1 1   20   10   24 o  575.420  117.980   5.5287   2.0544   5.7765   2.8622   5.2654   2.9505  581.414  154.558  556.465  160.483 24.94946 222.8066 
1 1 1   20   10   26 o  835.369   95.113   11.303   2.4436   9.4449   3.4100   13.265   3.5033  744.086  151.507  894.297  128.824 -150.2118 198.8713 
1 1 1   20   10   28 o  794.797  100.607   10.309   2.4477   8.8266   3.4373   11.834   3.4865  714.704  157.810  838.819  137.508 -124.1156 209.3145 
1 1 1   20   10   30 o  1486.74   82.638   35.479   3.8319   40.743   5.4431   30.306   5.3955  1578.43  110.831  1349.85  129.233 228.5842 170.2491 
1 1 1   20   10   32 o  246.029  113.623  -1.4051   2.0488  -8.1020   5.4328  -0.2948   2.2121  330.098  161.049  288.340  126.778 41.75873 204.9627 
1 1 1   20   10   34 o  794.299  132.863   11.125   3.1878   14.958   7.0899   10.153   3.5689  808.282  252.464  740.977  158.608 67.30566 298.1514 
1 1 1   20   10   36 o  516.570  228.374   4.2733   7.2723   0.0000   0.0000   4.2733   7.2723  ?   ?   516.570  228.374 0.000000 228.3738 
1 1 1   20   10   38 o  362.278  143.484   2.0154   2.4181  -5.5175   6.6722   3.1544   2.5945  364.029  177.796  412.598  152.196 -48.56903 234.0409 
1 1 1   20   10   40 o  454.150  158.298   4.3865   2.7642   14.820   8.2696   3.0741   2.9329  619.283  257.746  400.857  158.257 218.4262 302.4535 
1 1 1   20   10   42 o  241.561  111.693  -0.7084   1.9885  -5.6676   3.6679   1.3559   2.3665  248.167  123.185  319.013  135.615 -70.84628 183.2102 
1 1 1   20   10   44 o  230.492  107.272  -0.6762   1.8802  -5.9871   3.6515   1.2400   2.1933  237.029  118.485  299.748  129.058 -62.71855 175.1984 
1 1 1   20   11    1 o  500.602  145.571   4.1364   2.4186   4.1364   2.4186   0.0000   0.0000  500.602  145.571  ?   ?  0.000000 145.5710 
1 1 1   20   11    3 o  864.655  120.449   12.185   3.1725   12.185   3.1725   0.0000   0.0000  864.655  120.449  ?   ?  0.000000 120.4490 
1 1 1   20   11    5 o  606.562  116.653   6.0762   2.1351   4.1494   2.5712   10.356   3.8321  502.176  151.148  783.548  161.556 -281.3712 221.2378 
1 1 1   20   11    7 o  504.436  121.343   4.2423   1.8933   4.2719   2.2770   4.1761   3.4077  505.986  139.307  517.754  175.943 -11.76785 224.4158 
1 1 1   20   11    9 o  961.981   95.975   14.857   2.8524   14.249   3.5321   15.997   4.8362  934.258  123.789  976.963  163.895 -42.70544 205.3904 
1 1 1   20   11   11 o  603.522  113.959   6.0081   2.0746   2.6958   2.5434   12.595   3.5865  430.407  151.722  874.141  135.408 -443.7340 203.3591 
1 1 1   20   11   13 o  1105.74  161.722   20.318   5.4338   0.0000   0.0000   20.318   5.4338  ?   ?   1105.74  161.722 0.000000 161.7224 
1 1 1   20   11   15 o  539.366  121.394   4.8394   2.0007   4.6236   2.7358   5.0875   2.9334  528.009  155.190  552.288  160.233 -24.27942 223.0664 
1 1 1   20   11   17 o  1580.28   92.645   39.779   4.5643   32.815   5.6227   53.233   7.8156  1423.65  127.481  1810.67  138.908 -387.0187 188.5391 
1 1 1   20   11   19 o  575.330  117.725   5.4902   2.0494   1.7477   2.8161   9.7036   2.9880  401.152  156.042  766.622  129.059 -365.4706 202.4983 
1 1 1   20   11   21 f  377.297  125.329   2.1949   1.7295   2.9218   2.3163   1.2791   2.6000  433.624  145.069  372.434  148.380 61.19006 207.5134 
1 1 1   20   11   23 o  1244.08   84.578   24.700   3.2752   23.344   4.6021   26.091   4.6620  1196.06  124.717  1267.39  118.864 -71.33008 172.2872 
1 1 1   20   11   25 o  507.961  122.202   4.3350   1.9200   6.0112   2.5571   2.1685   2.9071  595.495  139.570  418.600  159.654 176.8953 212.0594 
1 1 1   20   11   27 o  737.186  104.185   8.8929   2.3379   6.3383   3.2564   11.610   3.3585  605.707  166.525  834.136  133.058 -228.4289 213.1546 
1 1 1   20   11   29 o  949.244   95.743   14.622   2.8069   11.090   3.8880   18.466   4.0565  799.897  160.806  1055.63  125.160 -255.7289 203.7737 
1 1 1   20   11   31 o  795.963  103.375   10.480   2.5156   11.334   3.5833   9.6497   3.5326  807.747  147.092  738.796  157.516 68.95099 215.5164 
1 1 1   20   11   33 o  455.819  153.278   3.6015   2.5860   14.920   6.1813   1.2003   2.8471  848.446  227.850  366.732  151.818 481.7136 273.7963 
1 1 1   20   11   35 o  694.816  168.776   9.3538   3.6356   0.0000   0.0000   9.3538   3.6356  ?   ?   694.816  168.776 0.000000 168.7762 
1 1 1   20   11   37 o  718.261  169.044   10.388   3.7386   0.0000   0.0000   10.388   3.7386  ?   ?   718.261  169.044 0.000000 169.0444 
1 1 1   20   11   39 o  500.518  167.552   5.3520   3.0899   0.0000   0.0000   5.3520   3.0899  ?   ?   500.518  167.552 0.000000 167.5520 
1 1 1   20   11   41 o  334.893  132.673   1.8397   2.0679  -0.0757   3.3568   3.0112   2.6253  320.419  147.050  391.339  151.096 -70.91980 210.8407 
1 1 1   20   11   43 o  329.626  134.274   1.8873   2.1814   0.0705   3.5407   2.9989   2.7695  316.820  147.369  377.290  152.156 -60.46991 211.8230 
1 1 1   20   12    0 o  550.847  113.753   5.0128   1.8971   6.0456   2.5508   3.7345   2.8378  601.396  138.338  487.506  160.472 113.8902 211.8693 
1 1 1   20   12    2 o  1306.67   90.869   27.193   3.6948   28.761   4.4480   23.704   6.6362  1339.69  106.923  1188.30  184.323 151.3964 213.0908 
1 1 1   20   12    4 o  544.109  130.239   4.9414   2.1894   5.1526   2.5779   4.3946   4.1473  554.560  146.330  544.532  193.550 10.02771 242.6401 
1 1 1   20   12    6 o  1394.74   89.796   30.963   3.9008   29.199   4.6562   35.114   7.1439  1348.33  111.279  1461.56  158.647 -113.2238 193.7827 
1 1 1   20   12    8 o  848.195   84.937   11.499   2.2255   11.548   3.1178   11.449   3.1779  841.083  121.938  836.532  125.168 4.551392 174.7452 
1 1 1   20   12   10 o  1313.73   87.046   27.443   3.5604   27.348   4.4394   27.615   5.9607  1305.60  109.606  1298.92  149.267 6.681519 185.1871 
1 1 1   20   12   12 o  458.781  131.291   3.4613   1.9816   2.9262   2.4033   4.5980   3.5025  438.270  147.762  539.150  178.317 -100.8800 231.5824 
1 1 1   20   12   14 o  1349.24  111.414   29.201   4.6649   26.284   6.1369   33.193   7.1794  1264.08  158.532  1420.08  164.505 -155.9996 228.4610 
1 1 1   20   12   16 o  1240.59   93.892   24.548   3.6203   20.101   4.5237   32.469   6.0378  1111.31  132.619  1413.85  138.148 -302.5466 191.5011 
1 1 1   20   12   18 o  224.127  101.489  -0.8363   1.5315   2.7849   2.0693  -5.2218   2.2773  421.270  136.953  198.260   98.175 223.0105 168.5069 
1 1 1   20   12   20 o  818.379  108.524   10.875   2.7124   11.018   3.5211   10.667   4.2538  813.603  143.454  790.119  176.401 23.48352 227.3682 
1 1 1   20   12   22 o  1686.02   81.486   45.064   4.3019   47.819   6.1202   42.373   6.0482  1723.10  114.077  1619.11  120.155 103.9952 165.6826 
1 1 1   20   12   24 f  1074.68   99.650   18.594   3.3152   16.100   5.1636   20.343   4.3241  971.407  176.252  1115.67  125.984 -144.2601 216.6485 
1 1 1   20   12   26 o  837.891  105.761   11.430   2.7130   10.940   4.1157   11.806   3.6077  797.323  170.041  839.468  142.336 -42.14423 221.7506 
1 1 1   20   12   28 o  845.743   94.648   11.598   2.4635   9.5885   3.3221   14.053   3.6720  750.183  146.682  918.495  131.422 -168.3124 196.9449 
1 1 1   20   12   30 o  573.544  143.646   5.7247   2.5741   6.6105   3.7596   4.9431   3.5318  607.446  182.757  536.966  179.132 70.48090 255.9071 
1 1 1   20   12   32 o  668.497  127.771   7.7402   2.5770   8.1250   4.0923   7.4874   3.3174  654.545  189.071  639.508  164.676 15.03656 250.7304 
1 1 1   20   12   34 o  343.735  144.555   0.8850   2.6420   0.0000   0.0000   0.8850   2.6420  ?   ?   343.735  144.555 0.000000 144.5550 
1 1 1   20   12   36 o  254.837  117.983  -1.2977   2.2294   0.0000   0.0000  -1.2977   2.2294  ?   ?   254.837  117.983 0.000000 117.9830 
1 1 1   20   12   38 o  554.726  172.304   6.4779   3.3076   0.0000   0.0000   6.4779   3.3076  ?   ?   554.726  172.304 0.000000 172.3041 
1 1 1   20   12   40 o  334.613  143.559   1.1628   2.6963   0.0000   0.0000   1.1628   2.6963  ?   ?   334.613  143.559 0.000000 143.5592 
1 1 1   20   12   42 o  653.347  192.911   10.938   4.2188   0.0000   0.0000   10.938   4.2188  ?   ?   653.347  192.911 0.000000 192.9106 
1 1 1   20   13    1 o  1628.08   78.433   41.861   3.9985   41.359   5.5906   42.387   5.7211  1607.48  111.764  1627.03  112.997 -19.55212 158.9322 
1 1 1   20   13    3 o  607.948  108.067   6.0494   1.9818   2.3800   2.5985   11.152   3.0641  419.540  152.684  827.039  121.984 -407.4987 195.4289 
1 1 1   20   13    5 o  199.795   99.186  -5.7094   2.3808 -10.4189   3.4531  -1.4420   3.2870  220.663  110.974  333.779  150.134 -113.1162 186.6957 
1 1 1   20   13    7 f  217.382  101.263  -1.5357   1.6816  -0.5375   1.8494  -6.2986   4.0398  260.983  115.285  295.551  142.941 -34.56793 183.6373 
1 1 1   20   13    9 o  1308.09  116.596   27.468   4.7257   27.468   4.7257   0.0000   0.0000  1308.09  116.596  ?   ?  0.000000 116.5959 
1 1 1   20   13   11 o  809.766  112.476   10.623   2.7749   8.9875   3.7913   12.509   4.0724  730.460  169.097  868.405  155.473 -137.9451 229.7080 
1 1 1   20   13   13 o  1037.54   87.235   17.138   2.8078   14.882   4.0116   19.305   3.9313  953.942  138.335  1094.90  116.456 -140.9606 180.8271 
1 1 1   20   13   15 o  1481.51   91.050   34.880   4.2033   29.431   6.9894   37.966   5.2610  1335.03  171.138  1540.88  109.756 -205.8527 203.3088 
1 1 1   20   13   17 o  400.494  133.996   2.4445   1.9762   2.1614   2.7516   2.7462   2.8401  416.017  156.083  443.694  159.906 -27.67700 223.4542 
1 1 1   20   13   19 o  1547.97   83.891   38.043   4.0511   30.759   5.6780   45.595   5.7815  1376.40  133.421  1686.96  110.052 -310.5630 172.9530 
1 1 1   20   13   21 o  617.700  131.803   6.3700   2.4716   6.5126   3.1151   6.1278   4.0606  620.052  159.528  606.967  191.298 13.08514 249.0870 
1 1 1   20   13   23 f  525.113  131.965   4.6237   2.1673   6.4092   2.9492   2.5273   3.1956  614.988  153.603  445.487  167.992 169.5010 227.6296 
1 1 1   20   13   25 f  486.125  134.709   3.9546   2.1214   4.2745   2.9463   3.6101   3.0569  511.175  163.147  483.664  166.588 27.51089 233.1706 
1 1 1   20   13   27 o  445.293  139.617   3.2473   2.1660   5.6919   3.0920   0.8919   3.0351  575.976  163.714  378.424  156.710 197.5514 226.6286 
1 1 1   20   13   29 o  685.785  212.872   8.6132   5.0494   8.7538   6.8104   8.4414   7.5249  694.076  247.885  691.009  258.340 3.066711 358.0313 
1 1 1   20   13   31 o  403.848  137.936   2.6357   2.0946   3.2507   2.9534   2.0133   2.9710  452.078  163.043  404.503  159.413 47.57510 228.0254 
1 1 1   20   13   33 o  552.041  142.604   5.5026   2.4825  -2.2913   3.8696   10.954   3.2362  330.499  153.841  788.640  135.959 -458.1413 205.3095 
1 1 1   20   13   35 o  264.603  123.281  -1.6816   2.4940   0.0000   0.0000  -1.6816   2.4940  ?   ?   264.603  123.281 0.000000 123.2809 
1 1 1   20   13   37 o  330.740  144.576   0.4351   2.8400   0.0000   0.0000   0.4351   2.8400  ?   ?   330.740  144.576 0.000000 144.5762 
1 1 1   20   13   39 o  360.560  152.027   1.5821   2.9345   0.0000   0.0000   1.5821   2.9345  ?   ?   360.560  152.027 0.000000 152.0272 
1 1 1   20   13   41 o  508.851  180.423   6.1330   3.6017   0.0000   0.0000   6.1330   3.6017  ?   ?   508.851  180.423 0.000000 180.4227 
1 1 1   20   14    0 o  699.015  108.223   7.9364   2.2922   6.6755   3.2127   9.2438   3.2715  630.855  161.843  746.625  145.164 -115.7702 217.4071 
1 1 1   20   14    2 o  1691.86   94.216   45.438   4.9714   41.224   8.6949   47.485   6.0596  1583.19  178.511  1724.60  112.833 -141.4111 211.1812 
1 1 1   20   14    4 o  792.318   97.531   10.084   2.3686   10.168   3.1925   9.9822   3.5327  787.128  134.350  775.619  150.890 11.50885 202.0340 
1 1 1   20   14    6 o  1102.53   85.123   19.303   2.9160   18.788   3.9868   19.895   4.2759  1080.18  119.896  1110.58  125.138 -30.40405 173.3052 
1 1 1   20   14    8 o  358.832  136.527   1.4698   2.1226   2.4460   2.3720  -2.4537   4.7554  415.274  146.507  393.366  178.412 21.90833 230.8573 
1 1 1   20   14   10 o  863.941  111.297   12.039   2.9408   13.396   3.3919   7.9322   5.9018  909.487  122.196  700.536  231.459 208.9506 261.7350 
1 1 1   20   14   12 o  310.864  128.141   0.4940   2.0163  -0.1299   2.2351   3.2208   4.6728  303.060  130.383  524.816  201.875 -221.7560 240.3194 
1 1 1   20   14   14 o  291.479  125.240  -0.1019   2.0575  -2.7571   2.5867   4.4722   3.3951  260.685  122.761  533.333  175.521 -272.6478 214.1908 
1 1 1   20   14   16 o  675.193  136.256   7.5626   2.7814   5.8859   3.9469   9.2167   3.9202  599.704  188.539  738.576  172.613 -138.8726 255.6212 
1 1 1   20   14   18 o  1243.43   87.236   24.588   3.3750   25.215   4.7175   23.930   4.8304  1250.15  122.072  1215.52  128.878 34.62524 177.5134 
1 1 1   20   14   20 o  402.063  137.432   2.4166   2.0793   1.5936   2.8718   3.3233   3.0144  398.900  156.881  473.363  165.291 -74.46292 227.8876 
1 1 1   20   14   22 o  644.949  132.100   6.9269   2.5780   6.9857   3.4067   6.8481   3.9437  641.566  167.702  636.082  186.148 5.483948 250.5497 
1 1 1   20   14   24 o  735.315  111.906   8.8428   2.4953   5.9999   3.5122   11.740   3.5458  595.910  176.033  840.979  139.543 -245.0693 224.6326 
1 1 1   20   14   26 o  494.494  137.745   4.1119   2.2120  -1.3398   3.0249   10.378   3.2430  317.418  143.281  788.031  136.363 -470.6129 197.7986 
1 1 1   20   14   28 o  677.695  129.311   7.7612   2.6439   5.1779   3.8368   10.097   3.6483  554.806  186.703  763.676  157.790 -208.8697 244.4494 
1 1 1   20   14   30 o  963.075  105.379   15.307   3.1260   12.479   4.5782   17.776   4.2786  828.447  181.505  1021.49  137.238 -193.0484 227.5481 
1 1 1   20   14   32 o  423.166  141.410   3.0185   2.2009   1.6270   3.0529   4.5242   3.1759  390.652  158.958  504.916  169.862 -114.2636 232.6384 
1 1 1   20   14   34 o  267.375  121.499  -0.9020   2.2188  -0.6259   2.3194  -3.8783   7.6148  281.154  126.322  435.004  206.560 -153.8495 242.1241 
1 1 1   20   14   36 o  578.491  146.270   6.2921   2.6511   6.5617   3.6677   5.9970   3.8365  568.943  182.074  544.470  186.677 24.47345 260.7665 
1 1 1   20   14   38 o  403.116  158.596   2.6748   2.9359  -7.9195   11.481   3.4161   3.0369  444.162  220.030  432.423  163.598 11.73889 274.1854 
1 1 1   20   14   40 o  279.174  129.207  -1.0166   2.6704   0.0000   0.0000  -1.0166   2.6704  ?   ?   279.174  129.207 0.000000 129.2069 
1 1 1   20   15    1 o  1980.17  118.323   62.492   7.3029   63.052   10.327   61.932   10.329  1971.25  168.937  1952.87  170.627 18.38074 240.1113 
1 1 1   20   15    3 o  1438.99   95.679   32.862   4.2865   34.973   5.1378   28.028   7.7755  1481.16  111.599  1299.52  197.286 181.6427 226.6625 
1 1 1   20   15    5 o  908.025  162.117   13.620   4.4403   13.620   4.4403   0.0000   0.0000  908.025  162.117  ?   ?  0.000000 162.1166 
1 1 1   20   15    7 o  849.596  119.830   11.681   3.0993   15.332   3.6022   1.2747   6.0814  975.352  120.511  526.834  220.297 448.5172 251.1048 
1 1 1   20   15    9 o  1244.24   95.776   24.610   3.7028   22.115   4.3665   30.997   6.9862  1173.76  120.517  1378.65  165.119 -204.8884 204.4231 
1 1 1   20   15   11 o  407.681  144.480   2.3301   2.3093   2.1495   2.5653   3.1020   5.3034  409.644  151.292  543.296  213.344 -133.6522 261.5439 
1 1 1   20   15   13 o  788.012  128.523   10.148   3.0619   14.285   3.5518  -1.8219   6.0418  939.261  123.782  462.788  206.183 476.4729 240.4857 
1 1 1   20   15   15 o  346.865  147.483   0.1265   2.7998   0.1265   2.7998   0.0000   0.0000  346.865  147.483  ?   ?  0.000000 147.4828 
1 1 1   20   15   17 o  1053.86   92.554   17.712   3.0233   18.190   4.2044   17.201   4.3504  1059.03  129.485  1026.78  138.874 32.25134 189.8745 
1 1 1   20   15   19 o  527.374  168.946   4.4589   3.1572   6.7592   3.6478  -2.4098   6.3033  633.838  177.004  461.234  207.642 172.6032 272.8475 
1 1 1   20   15   21 o  708.855  124.955   8.2701   2.6722   9.9213   3.9632   6.8938   3.6183  765.967  169.707  638.708  175.509 127.2589 244.1386 
1 1 1   20   15   23 o  655.318  144.766   7.2152   2.8913   6.2393   3.9695   8.3180   4.2198  610.769  188.601  696.193  188.807 -85.42413 266.8677 
1 1 1   20   15   25 o  826.652  117.338   11.202   2.9520   11.697   4.4373   10.809   3.9539  824.114  177.220  796.121  164.066 27.99329 241.5046 
1 1 1   20   15   27 f  507.688  146.193   4.3831   2.4501   3.6673   3.6063   4.9967   3.3391  494.507  179.886  543.484  173.705 -48.97684 250.0648 
1 1 1   20   15   29 f  1392.42   92.405   31.404   4.0060   29.269   5.6325   33.590   5.6987  1317.05  138.660  1417.84  129.802 -100.7828 189.9352 
1 1 1   20   15   31 o  735.546  125.216   9.2644   2.7806   8.4371   3.9122   10.109   3.9529  673.314  181.458  742.682  173.167 -69.36755 250.8261 
1 1 1   20   15   33 o  478.006  163.113   4.0269   2.9289   1.9733   3.1454   17.423   8.0337  403.067  162.293  868.402  268.333 -465.3353 313.5948 
1 1 1   20   15   35 o  444.538  162.272   3.4008   2.9383   3.8578   3.1516   0.3632   8.1256  465.892  168.363  490.660  226.488 -24.76852 282.2105 
1 1 1   20   15   37 o  462.222  164.579   4.0026   2.9999   4.0410   3.2670   3.7957   7.5752  465.401  170.923  511.488  229.154 -46.08716 285.8776 
1 1 1   20   15   39 o  770.234  243.755   15.894   6.5877   7.8300   12.241   19.181   7.8161  550.580  261.572  805.878  266.371 -255.2983 373.3275 
1 1 1   20   16    0 o  534.629  176.333   4.4220   3.4259   4.1639   4.5525   4.7589   5.2020  554.065  202.026  590.799  215.876 -36.73370 295.6638 
1 1 1   20   16    2 o  824.946  218.005   11.504   5.7162   11.504   5.7162   0.0000   0.0000  824.946  218.005  ?   ?  0.000000 218.0048 
1 1 1   20   16    4 o  1143.58  106.919   20.861   3.7841   26.126   4.4908   7.9679   7.0277  1279.55  113.255  723.549  252.393 556.0039 276.6385 
1 1 1   20   16    6 o  561.803  154.175   5.2096   2.7943   6.1928   3.2300   2.2848   5.5707  610.991  164.970  533.233  215.532 77.75800 271.4208 
1 1 1   20   16    8 o  672.388  132.001   7.4352   2.6800   6.4301   3.0753   10.608   5.4636  621.713  157.725  792.424  214.809 -170.7109 266.4965 
1 1 1   20   16   10 o  399.370  144.796   2.1263   2.3338   2.4142   2.5651   0.7430   5.6230  421.677  151.969  498.004  210.236 -76.32697 259.4109 
1 1 1   20   16   12 o  518.155  154.169   4.3719   2.6864   3.4732   3.0268   7.7074   5.8312  483.180  165.803  694.156  230.107 -210.9759 283.6187 
1 1 1   20   16   14 o  430.615  163.374   2.1882   3.0340   2.7504   3.5452   0.6492   5.8652  471.214  177.095  504.088  213.864 -32.87457 277.6696 
1 1 1   20   16   16 o  685.972  168.372   7.9025   3.5897   9.0082   4.2742   5.2556   6.6132  730.138  186.332  636.401  241.260 93.73682 304.8376 
1 1 1   20   16   18 o  421.366  161.255   2.0320   2.9720   2.4601   3.4174   0.7034   6.0202  455.194  173.223  509.627  216.467 -54.43292 277.2436 
1 1 1   20   16   20 o  632.102  172.643   6.7200   3.5136   9.5282   4.0213  -2.3424   7.2239  750.698  174.403  498.377  223.493 252.3214 283.4883 
1 1 1   20   16   22 o  416.963  163.677   1.7881   3.1205   2.1614   3.4908   0.3033   6.9620  445.393  173.600  531.005  229.275 -85.61182 287.5825 
1 1 1   20   16   24 o  246.311  117.524  -3.2175   2.5258  -3.2175   2.5258   0.0000   0.0000  246.311  117.524  ?   ?  0.000000 117.5243 
1 1 1   20   16   26 o  414.402  161.672   1.9704   3.0298   2.9850   3.3498  -2.5908   7.1023  463.256  172.529  475.442  216.560 -12.18594 276.8835 
1 1 1   20   16   28 o  785.214  151.949   10.661   3.6009   11.272   3.9771   7.8845   8.4816  802.214  163.868  685.935  269.659 116.2796 315.5448 
1 1 1   20   16   30 o  341.260  147.967   0.0681   2.9242  -0.3791   3.1427   2.9525   7.9811  340.754  150.414  566.512  245.042 -225.7578 287.5236 
1 1 1   20   16   32 o  617.773  168.271   7.0417   3.3432   5.7893   3.6296   14.052   8.5869  560.648  181.307  785.156  278.565 -224.5072 332.3707 
1 1 1   20   16   34 o  444.740  164.337   3.2574   3.0275   3.5253   3.2757   1.6880   7.9290  459.750  170.730  515.930  232.517 -56.18060 288.4665 
1 1 1   20   16   36 o  318.181  139.106   0.1563   2.6300   0.1563   2.6300   0.0000   0.0000  318.181  139.106  ?   ?  0.000000 139.1063 
1 1 1   20   16   38 o  848.380  334.405   29.510   13.076   29.510   13.076   0.0000   0.0000  848.380  334.405  ?   ?  0.000000 334.4045 
1 1 1   20   17    1 o  462.721  157.486   3.1734   2.7302   1.5654   3.1361   8.2074   5.5489  414.038  163.589  711.237  223.543 -297.1994 277.0070 
1 1 1   20   17    3 o  574.348  189.703   5.1089   3.9646   4.5623   5.5339   5.6853   5.6825  594.923  221.715  632.018  226.355 -37.09485 316.8500 
1 1 1   20   17    5 o  541.297  190.680   4.2109   4.0165   10.299   5.5226  -2.6259   5.8521  783.325  217.453  443.756  199.895 339.5697 295.3708 
1 1 1   20   17    7 o  642.329  153.123   6.8503   3.0363   8.6129   3.4924   1.3938   6.1448  720.196  159.107  533.643  222.147 186.5529 273.2479 
1 1 1   20   17    9 o  962.673  141.478   15.071   4.1374   14.992   5.1509   15.213   6.9462  950.183  179.707  944.159  235.689 6.023682 296.3849 
1 1 1   20   17   11 o  535.412  169.890   4.5541   3.1984   4.5541   3.1984   0.0000   0.0000  535.412  169.890  ?   ?  0.000000 169.8898 
1 1 1   20   17   13 o  475.458  161.977   3.3772   2.8882   4.5979   3.2388  -1.3638   6.3828  537.779  170.991  486.566  214.589 51.21274 274.3834 
1 1 1   20   17   15 o  665.445  163.295   7.4000   3.3771   9.8004   3.8524  -0.5677   7.0185  766.429  165.377  524.601  228.349 241.8286 281.9451 
1 1 1   20   17   17 o  970.211  149.855   15.429   4.4059   18.344   5.3116   8.9995   7.8881  1054.73  166.343  759.983  267.268 294.7507 314.8052 
1 1 1   20   17   19 o  944.579  130.916   14.519   3.7680   11.266   4.2699   25.968   8.0103  819.147  171.950  1238.10  214.386 -418.9521 274.8236 
1 1 1   20   17   21 o  460.034  172.424   2.6997   3.3562   4.0128   3.7919  -2.0491   7.2113  522.414  185.139  500.921  224.060 21.49277 290.6533 
1 1 1   20   17   23 o  516.517  175.516   4.1849   3.3912   4.9311   3.8047   1.3011   7.4796  554.496  185.922  561.455  239.945 -6.958618 303.5464 
1 1 1   20   17   25 o  417.176  161.388   2.0555   2.9996   0.9375   3.2465   8.5775   7.8412  390.277  161.886  716.344  264.519 -326.0678 310.1245 
1 1 1   20   17   27 o  515.263  174.703   4.3736   3.3597   4.4812   3.6734   3.8232   8.3090  524.797  182.510  608.434  256.140 -83.63678 314.5113 
1 1 1   20   17   29 o  584.223  175.792   6.0831   3.4784   5.8359   3.7978   7.3700   8.6653  574.300  185.432  668.423  269.291 -94.12299 326.9592 
1 1 1   20   17   31 o  732.973  184.028   9.9810   4.2175   9.9810   4.2175   0.0000   0.0000  732.973  184.028  ?   ?  0.000000 184.0278 
1 1 1   20   17   33 o  347.652  148.856   0.5078   2.8885   0.5078   2.8885   0.0000   0.0000  347.652  148.856  ?   ?  0.000000 148.8559 
1 1 1   20   17   35 o  497.876  180.088   4.4753   3.6070   4.4753   3.6070   0.0000   0.0000  497.876  180.088  ?   ?  0.000000 180.0879 
1 1 1   20   17   37 o  715.415  161.037   9.8135   3.5204   11.014   3.9445   5.1158   7.8045  749.763  171.712  542.956  238.444 206.8076 293.8379 
1 1 1   20   18    0 o  287.363  130.762  -1.5782   2.5813  -2.3694   2.8797   1.6571   5.8230  289.920  134.179  529.365  217.932 -239.4451 255.9268 
1 1 1   20   18    2 o  1575.13  121.476   39.507   5.9451   44.078   8.0770   34.103   8.7825  1655.15  157.755  1441.59  199.946 213.5529 254.6863 
1 1 1   20   18    4 o  462.144  169.337   2.7807   3.2041   3.1969   3.9269   1.9517   5.5419  502.995  186.904  525.633  214.057 -22.63843 284.1714 
1 1 1   20   18    6 o  917.163  234.925   14.262   6.7766   0.0000   0.0000   14.262   6.7766  ?   ?   917.163  234.925 0.000000 234.9250 
1 1 1   20   18    8 o  641.961  243.280   5.1221   6.7228   0.0000   0.0000   5.1221   6.7228  ?   ?   641.961  243.280 0.000000 243.2800 
1 1 1   20   18   10 f  1625.27  122.644   42.116   6.1955   48.646   8.1176   33.005   9.5885  1739.81  150.490  1406.44  225.334 333.3647 270.9663 
1 1 1   20   18   12 o  605.589  160.512   6.0806   3.0928   7.0822   3.4301   1.7262   7.1520  652.285  167.172  575.662  239.653 76.62286 292.1985 
1 1 1   20   18   14 o  1702.74  120.020   46.221   6.3581   43.875   8.0967   49.995   10.269  1647.64  158.910  1748.27  190.680 -100.6295 248.2162 
1 1 1   20   18   16 o  546.741  158.855   4.9031   2.8813   3.4069   3.1238   13.433   7.4588  483.363  168.291  885.213  255.126 -401.8499 305.6329 
1 1 1   20   18   18 o  462.412  163.488   3.0559   2.9552   5.5115   3.2006 -11.1429   7.6962  577.345  167.334  411.807  198.699 165.5383 259.7728 
1 1 1   20   18   20 o  1052.09  142.679   18.126   4.5791   19.724   5.4119   14.098   8.5914  1091.22  163.414  893.968  277.698 197.2501 322.2122 
1 1 1   20   18   22 o  360.168  151.955   0.3837   2.9347   0.3313   3.1874   0.6756   7.5201  372.154  157.761  552.561  238.435 -180.4072 285.9015 
1 1 1   20   18   24 o  881.755  169.272   13.312   4.5037   13.312   4.5037   0.0000   0.0000  881.755  169.272  ?   ?  0.000000 169.2719 
1 1 1   20   18   26 o  403.637  163.081   1.4989   3.1879   1.4989   3.1879   0.0000   0.0000  403.637  163.081  ?   ?  0.000000 163.0815 
1 1 1   20   18   28 o  664.512  179.874   7.9092   3.8343   7.9092   3.8343   0.0000   0.0000  664.512  179.874  ?   ?  0.000000 179.8745 
1 1 1   20   18   30 o  385.472  163.954   0.7008   3.4622   0.7008   3.4622   0.0000   0.0000  385.472  163.954  ?   ?  0.000000 163.9537 
1 1 1   20   18   32 o  486.285  174.975   3.9279   3.3993   3.2573   3.6660   8.0400   9.0781  467.344  179.038  662.073  272.285 -194.7291 325.8736 
1 1 1   20   18   34 o  489.612  181.251   4.0642   3.6861   4.0642   3.6861   0.0000   0.0000  489.612  181.251  ?   ?  0.000000 181.2509 
1 1 1   20   18   36 o  400.136  157.569   2.2631   2.9005   1.2727   3.1434   7.9382   7.5247  375.533  157.790  610.219  249.069 -234.6857 294.8444 
1 1 1   20   19    1 o  444.698  171.182   2.1323   3.3617   4.8643   3.9781  -4.6929   6.2876  566.364  190.111  432.037  199.359 134.3271 275.4740 
1 1 1   20   19    3 o  1215.69  112.855   23.543   4.2470   26.523   5.0450   16.292   7.8684  1288.26  126.705  979.764  254.269 308.4933 284.0898 
1 1 1   20   19    5 o  1102.20  121.560   19.448   4.1256   20.189   4.7775   17.276   8.1812  1119.50  139.301  1007.59  258.146 111.9084 293.3332 
1 1 1   20   19    7 o  859.416  147.952   12.068   3.8378   12.391   4.4067   11.054   7.8088  866.508  168.483  825.067  265.844 41.44086 314.7374 
1 1 1   20   19    9 o  960.514  195.081   15.362   5.6670   9.3963   8.4038   20.336   7.6745  787.718  275.932  1098.91  230.399 -311.1881 359.4748 
1 1 1   20   19   11 o  489.348  203.063   1.1598   5.1112   4.2543   6.9764  -2.4258   7.5097  627.843  245.221  515.295  229.701 112.5483 335.9996 
1 1 1   20   19   13 o  1078.94  190.419   19.297   6.1980   23.732   8.6278   14.568   8.9096  1182.86  241.121  926.652  281.912 256.2078 370.9630 
1 1 1   20   19   15 o  536.905  159.170   4.6964   2.8674   4.2011   3.1172   7.4207   7.3105  517.986  168.075  712.284  256.567 -194.2983 306.7176 
1 1 1   20   19   17 o  228.754  108.103  -2.3245   2.0385  -2.3245   2.0385   0.0000   0.0000  228.754  108.103  ?   ?  0.000000 108.1031 
1 1 1   20   19   19 o  788.098  182.645   10.553   4.4191   10.553   4.4191   0.0000   0.0000  788.098  182.645  ?   ?  0.000000 182.6447 
1 1 1   20   19   21 o  751.568  160.931   9.5559   3.6730   9.5559   3.6730   0.0000   0.0000  751.568  160.931  ?   ?  0.000000 160.9311 
1 1 1   20   19   23 o  520.526  172.508   4.3731   3.2774   4.3731   3.2774   0.0000   0.0000  520.526  172.508  ?   ?  0.000000 172.5077 
1 1 1   20   19   25 o  932.411  167.640   14.915   4.7145   14.915   4.7145   0.0000   0.0000  932.411  167.640  ?   ?  0.000000 167.6401 
1 1 1   20   19   27 o  365.718  157.553   0.1365   3.2727  -1.5548   3.5269   10.617   8.7793  338.523  153.580  758.556  279.937 -420.0328 319.2984 
1 1 1   20   19   29 o  622.565  176.430   6.9331   3.5966   8.9647   3.8906  -5.0040   9.4307  706.785  176.366  504.413  236.542 202.3715 295.0544 
1 1 1   20   19   31 o  291.180  133.511  -1.5363   2.7585  -0.5929   2.9153  -9.6053   8.5263  323.053  143.619  427.112  206.843 -104.0595 251.8146 
1 1 1   20   19   33 o  549.141  182.421   5.4808   3.6641   4.4890   3.9623   11.336   9.6273  514.304  188.332  722.425  286.244 -208.1210 342.6436 
1 1 1   20   19   35 o  587.180  177.153   6.5694   3.5290   6.3411   3.7658   8.2156   10.112  575.425  184.529  642.691  276.909 -67.26569 332.7607 
1 1 1   20   20    0 o  580.268  170.378   5.4635   3.2990   8.8666   3.7359  -6.5847   7.0295  731.993  166.723  439.230  205.414 292.7625 264.5594 
1 1 1   20   20    2 o  887.059  146.486   12.804   3.9268   16.073   4.4372   0.9960   8.4326  996.246  146.627  608.357  257.175 387.8890 296.0375 
1 1 1   20   20    4 o  601.955  173.318   5.9153   3.4438   8.9465   3.8582  -5.9645   7.6381  734.730  170.924  471.963  218.464 262.7664 277.3835 
1 1 1   20   20    6 o  755.654  166.749   9.4487   3.8398   6.4481   4.3000   21.257   8.5303  633.959  196.385  1121.94  249.290 -487.9833 317.3519 
1 1 1   20   20    8 o  285.069  132.525  -2.5370   2.8569  -3.4182   3.1052   2.3206   7.2906  284.663  134.189  595.892  244.415 -311.2292 278.8289 
1 1 1   20   20   10 o  953.907  137.018   14.726   3.9751   12.970   4.4282   22.016   9.0213  887.679  165.399  1136.91  259.173 -249.2306 307.4529 
1 1 1   20   20   12 o  1015.65  275.491   17.738   8.9832   17.738   8.9832   0.0000   0.0000  1015.65  275.491  ?   ?  0.000000 275.4910 
1 1 1   20   20   14 o  449.313  209.642  -6.2630   7.2536  -6.2630   7.2536   0.0000   0.0000  449.313  209.642  ?   ?  0.000000 209.6418 
1 1 1   20   20   16 o  657.026  261.499   4.5550   8.0679   4.5550   8.0679   0.0000   0.0000  657.026  261.499  ?   ?  0.000000 261.4987 
1 1 1   20   20   18 o  641.590  173.500   6.9369   3.5694   6.9369   3.5694   0.0000   0.0000  641.590  173.500  ?   ?  0.000000 173.5001 
1 1 1   20   20   20 o  732.402  168.396   9.1125   3.7812   10.304   4.2151   4.2041   8.5561  777.179  177.149  650.350  265.537 126.8289 319.2048 
1 1 1   20   20   22 o  360.806  150.138   0.6461   2.8052   0.9924   2.9912  -1.8811   8.0805  381.807  156.575  526.634  236.255 -144.8275 283.4292 
1 1 1   20   20   24 o  629.380  171.027   6.8357   3.4584   7.2740   3.7225   4.0709   9.3494  647.811  178.020  650.977  272.751 -3.165833 325.7058 
1 1 1   20   20   26 o  642.225  190.331   7.2475   4.1005   7.2475   4.1005   0.0000   0.0000  642.225  190.331  ?   ?  0.000000 190.3307 
1 1 1   20   20   28 o  498.477  181.966   3.7868   3.6948   3.7868   3.6948   0.0000   0.0000  498.477  181.966  ?   ?  0.000000 181.9656 
1 1 1   20   20   30 o  502.266  185.773   3.8971   3.8707   3.8971   3.8707   0.0000   0.0000  502.266  185.773  ?   ?  0.000000 185.7731 
1 1 1   20   20   32 o  295.951  136.487  -1.7987   2.9410  -4.2176   3.0808   23.047   9.8738  261.297  125.988  1016.54  293.700 -755.2395 319.5819 
1 1 1   20   21    1 o  518.207  184.449   3.7136   3.7677   2.1811   4.1475   10.950   9.0122  479.812  188.587  841.860  286.126 -362.0485 342.6855 
1 1 1   20   21    3 o  412.283  171.912   0.6060   3.6886   1.9110   3.9631  -7.8488   10.087  463.741  183.684  540.790  250.582 -77.04895 310.6945 
1 1 1   20   21    5 o  702.429  196.841   8.1364   4.5030   8.1364   4.5030   0.0000   0.0000  702.429  196.841  ?   ?  0.000000 196.8412 
1 1 1   20   21    7 o  844.614  163.730   11.737   4.1738   11.737   4.1738   0.0000   0.0000  844.614  163.730  ?   ?  0.000000 163.7301 
1 1 1   20   21    9 o  858.714  166.546   12.158   4.3166   12.158   4.3166   0.0000   0.0000  858.714  166.546  ?   ?  0.000000 166.5465 
1 1 1   20   21   11 o  878.902  167.774   12.762   4.4488   12.762   4.4488   0.0000   0.0000  878.902  167.774  ?   ?  0.000000 167.7740 
1 1 1   20   21   13 o  1088.06  128.890   19.081   4.3059   21.845   4.8167   8.0836   9.6084  1163.74  134.671  771.610  291.219 392.1302 320.8498 
1 1 1   20   21   15 o  746.298  237.600   9.2335   6.2520   9.4570   8.8126   9.0071   8.8709  784.479  281.787  774.622  282.078 9.856079 398.7126 
1 1 1   20   21   17 o  913.303  238.554   14.551   6.8967   3.2244   10.318   23.698   9.2720  683.196  286.409  1158.89  261.701 -475.6976 387.9659 
1 1 1   20   21   19 o  529.139  220.687   1.6938   6.0805   11.185   8.7848  -7.0349   8.4247  814.098  282.289  477.412  223.781 336.6859 360.2293 
1 1 1   20   21   21 o  381.264  156.317   0.9692   2.9805   1.5157   3.1927  -2.7366   8.3144  409.587  164.005  524.479  237.074 -114.8917 288.2742 
1 1 1   20   21   23 o  482.437  170.542   3.4884   3.2156   4.2015   3.4511  -1.2085   8.8570  517.021  177.054  558.569  249.190 -41.54791 305.6857 
1 1 1   20   21   25 o  507.703  165.494   4.2207   3.0209   2.7142   3.2145   15.609   8.8383  449.943  168.725  903.778  281.812 -453.8350 328.4602 
1 1 1   20   21   27 o  284.871  128.273  -1.0094   2.4070  -1.0094   2.4070   0.0000   0.0000  284.871  128.273  ?   ?  0.000000 128.2727 
1 1 1   20   21   29 o  450.461  170.165   2.8022   3.2825  -0.8282   3.4752   32.839   9.9959  350.987  156.372  1310.84  252.694 -959.8508 297.1642 
1 1 1   20   21   31 o  399.640  165.090   1.3118   3.3565   0.1628   3.5451   11.254   10.428  375.949  162.964  755.983  298.430 -380.0336 340.0262 
1 1 1   20   22    0 o  1299.05  279.298   28.525   11.023   28.525   11.023   0.0000   0.0000  1299.05  279.298  ?   ?  0.000000 279.2976 
1 1 1   20   22    2 o  693.075  276.337   4.4422   9.0242   4.4422   9.0242   0.0000   0.0000  693.075  276.337  ?   ?  0.000000 276.3368 
1 1 1   20   22    4 o  664.979  220.726   6.8233   5.3648   6.8233   5.3648   0.0000   0.0000  664.979  220.726  ?   ?  0.000000 220.7256 
1 1 1   20   22    6 o  290.859  136.939  -3.4703   3.2154  -3.4703   3.2154   0.0000   0.0000  290.859  136.939  ?   ?  0.000000 136.9394 
1 1 1   20   22    8 o  617.871  180.393   6.2457   3.7075   7.0103   4.0354   2.1058   9.3896  652.682  187.526  654.763  273.758 -2.081604 331.8277 
1 1 1   20   22   10 o  305.754  139.440  -1.8577   2.9560  -5.5181   3.1419   26.367   8.7244  253.936  123.578  1252.10  231.038 -998.1651 262.0119 
1 1 1   20   22   12 o  840.218  161.047   11.686   4.0828   14.442   4.5321  -0.1834   9.4054  936.581  160.302  611.972  265.356 324.6089 310.0172 
1 1 1   20   22   14 o  873.127  146.813   12.530   3.8714   10.560   4.2545   22.018   9.3349  793.070  175.929  1120.91  269.322 -327.8384 321.6911 
1 1 1   20   22   16 o  494.738  173.665   3.5815   3.3297   4.6642   3.5899  -3.0858   8.9086  545.052  180.540  547.602  246.657 -2.549927 305.6703 
1 1 1   20   22   18 o  734.682  288.638   6.9257   9.7118   0.0000   0.0000   6.9257   9.7118  ?   ?   734.682  288.638 0.000000 288.6384 
1 1 1   20   22   20 o  586.183  233.597   3.7332   6.4456   8.9298   9.5528  -0.6100   8.7331  767.884  290.239  571.504  251.577 196.3801 384.0956 
1 1 1   20   22   22 o  625.068  271.144   1.1928   9.8281   1.1928   9.8281   0.0000   0.0000  625.068  271.144  ?   ?  0.000000 271.1443 
1 1 1   20   22   24 o  339.414  147.048  -0.1792   2.8834  -0.1792   2.8834   0.0000   0.0000  339.414  147.048  ?   ?  0.000000 147.0480 
1 1 1   20   22   26 o  703.494  173.941   8.6138   3.8100   9.2229   4.1336   5.1737   9.8232  725.634  182.190  676.317  281.152 49.31738 335.0216 
1 1 1   20   22   28 o  381.387  154.805   1.2465   2.8868   1.2465   2.8868   0.0000   0.0000  381.387  154.805  ?   ?  0.000000 154.8054 
1 1 1   20   23    1 o  1146.13  230.378   21.936   7.9810   21.356   10.768   22.643   11.889  1117.58  300.979  1148.50  319.142 -30.91931 438.6795 
1 1 1   20   23    3 o  1196.39  222.494   23.815   8.0282   25.077   11.476   22.606   11.235  1206.64  303.909  1146.16  306.918 60.48035 431.9250 
1 1 1   20   23    5 o  286.978  144.609 -18.9588   6.0217 -15.1815   8.7607 -22.3416   8.2906  421.678  205.461  355.696  177.912 65.98181 271.7851 
1 1 1   20   23    7 o  350.394  150.955  -0.2240   3.0045  -1.5425   3.2119   9.0041   8.4977  329.304  148.238  778.697  277.023 -449.3932 314.1915 
1 1 1   20   23    9 o  1011.24  144.434   16.609   4.4435   17.481   5.0647   13.693   9.2601  1033.47  161.817  905.044  289.274 128.4302 331.4577 
1 1 1   20   23   11 o  784.315  166.003   10.239   3.9497   10.809   4.3399   7.4874   9.5308  803.975  177.172  757.371  289.027 46.60425 339.0083 
1 1 1   20   23   13 o  869.641  159.312   12.514   4.1783   11.252   4.6288   18.065   9.7099  817.612  185.108  1013.92  290.762 -196.3115 344.6846 
1 1 1   20   23   15 o  935.578  165.520   14.528   4.6715   15.900   5.3129   9.8512   9.8080  975.089  180.661  806.489  296.157 168.5997 346.9115 
1 1 1   20   23   17 o  423.446  166.528   1.7891   3.2358   0.3015   3.4644   11.955   9.0563  388.107  164.496  843.109  286.825 -455.0017 330.6473 
1 1 1   20   23   19 o  591.116  182.965   5.7684   3.7333   6.5970   4.0627   1.2706   9.4651  628.227  190.198  625.336  268.651 2.890991 329.1633 
1 1 1   20   23   21 o  574.413  182.705   5.4168   3.6975   4.7344   4.0201   9.1630   9.4195  553.034  191.007  770.170  288.821 -217.1362 346.2680 
1 1 1   20   23   23 o  664.723  278.205   3.8329   9.7110   0.0000   0.0000   3.8329   9.7110  ?   ?   664.723  278.205 0.000000 278.2047 
1 1 1   20   23   25 o  622.193  281.709  -2.1535   11.796  -2.1535   11.796   0.0000   0.0000  622.193  281.709  ?   ?  0.000000 281.7090 
1 1 1   20   23   27 o  452.307  167.736   2.8387   3.1597   3.2041   3.2990  -1.2155   10.988  470.705  171.926  606.144  273.396 -135.4388 322.9609 
1 1 1   20   24    0 o  853.893  261.850   12.027   7.6668   13.359   10.627   10.581   11.072  917.170  310.705  861.457  314.917 55.71313 442.3913 
1 1 1   20   24    2 o  743.739  259.079   8.2933   7.4037   0.1826   11.456   14.111   9.7023  684.276  294.779  925.389  296.134 -241.1133 417.8400 
1 1 1   20   24    4 o  926.614  305.140   14.039   10.260   14.039   10.260   0.0000   0.0000  926.614  305.140  ?   ?  0.000000 305.1397 
1 1 1   20   24    6 o  750.789  255.047   8.7682   7.1607   5.9959   9.9551   11.740   10.307  741.144  291.895  870.595  305.555 -129.4504 422.5713 
1 1 1   20   24    8 o  544.631  230.845   0.7270   6.8231  -0.9514   9.7176   2.3590   9.5825  612.529  267.603  662.166  276.679 -49.63721 384.9194 
1 1 1   20   24   10 o  449.326  207.126  -4.7539   6.7615   4.6411   9.7547 -13.4424   9.3807  706.360  285.315  456.326  219.981 250.0339 360.2724 
1 1 1   20   24   12 o  777.548  181.069   10.148   4.3263   10.309   4.7863   9.4300   10.114  781.654  195.931  808.372  300.034 -26.71802 358.3429 
1 1 1   20   24   14 f  695.886  179.982   8.1404   3.9512   9.7873   4.3146  -0.4194   9.8364  762.118  183.088  618.459  269.740 143.6585 326.0074 
1 1 1   20   24   16 o  549.436  188.085   4.5989   3.8945   4.3345   4.1978   6.2332   10.436  547.060  194.695  742.818  296.844 -195.7586 354.9967 
1 1 1   20   24   18 f  409.858  173.102   0.4595   3.8147   0.4595   3.8147   0.0000   0.0000  409.858  173.102  ?   ?  0.000000 173.1017 
1 1 1   20   24   20 o  452.711  173.600   2.4043   3.4488   2.2949   3.6823   3.1851   9.8419  457.973  178.355  666.816  279.638 -208.8428 331.6745 
1 1 1   20   24   22 o  541.029  190.862   4.4082   4.0256   4.3957   4.3801   4.4763   10.215  549.071  198.474  692.588  287.212 -143.5162 349.1170 
1 1 1   20   24   24 o  1118.76  145.528   20.676   4.9773   23.269   5.5141   9.2711   11.565  1185.05  152.113  793.673  313.966 391.3741 348.8734 
1 1 1   20   25    1 o  873.692  317.893   11.095   11.263   11.095   11.263   0.0000   0.0000  873.692  317.893  ?   ?  0.000000 317.8929 
1 1 1   20   25    3 f  857.688  323.802   9.8681   11.881   9.8681   11.881   0.0000   0.0000  857.688  323.802  ?   ?  0.000000 323.8023 
1 1 1   20   25    5 o  411.116  196.381  -9.1380   7.0943  -7.2531   10.194 -10.9086   9.8795  547.863  253.167  498.999  236.459 48.86441 346.4196 
1 1 1   20   25    7 o  824.988  304.508   9.6697   10.389   0.0000   0.0000   9.6697   10.389  ?   ?   824.988  304.508 0.000000 304.5075 
1 1 1   20   25    9 o  971.532  257.295   16.177   7.9512   25.008   13.008   10.909   10.047  1187.96  335.138  845.263  301.160 342.7000 450.5715 
1 1 1   20   25   11 o  644.436  253.895   4.4178   7.5343   2.0479   11.481   6.2104   9.9852  705.446  299.250  741.724  292.268 -36.27856 418.2962 
1 1 1   20   25   13 o  713.569  262.090   7.2290   7.6819  -6.8683   11.901   17.299   10.058  600.492  276.061  996.394  298.729 -395.9030 406.7540 
1 1 1   20   25   15 o  680.322  187.926   7.7622   4.1358   6.2375   4.5052   15.932   10.429  623.762  202.024  959.213  307.029 -335.4512 367.5331 
1 1 1   20   25   17 o  253.852  124.038  -6.0235   3.2579  -7.7603   3.4592   7.6079   9.6909  245.858  121.612  755.609  290.705 -509.7507 315.1171 
1 1 1   20   25   19 o  366.300  160.298  -0.5988   3.4998   0.2216   3.6864  -8.0938   11.142  397.206  169.068  558.072  260.200 -160.8659 310.3030 
1 1 1   20   25   21 o  636.211  192.903   6.7759   4.1768   7.6066   4.5231   1.9668   10.883  670.958  200.140  672.509  288.471 -1.550476 351.1002 
1 1 1   20   26    0 o  1149.72  260.646   22.439   9.1670   38.161   13.935   10.447   12.171  1489.85  308.857  876.191  328.360 613.6620 450.7915 
1 1 1   20   26    2 o  952.623  271.619   15.351   8.4975   27.800   12.353   4.1667   11.708  1266.07  313.293  752.662  309.343 513.4045 440.2788 
1 1 1   20   26    4 o  631.926  254.290   3.4253   7.7170   6.7738   11.992   1.0587   10.082  802.640  319.016  657.851  279.791 144.7885 424.3275 
1 1 1   20   26    6 o  540.300  238.679  -1.8615   7.9283  -0.2078   12.364  -3.0164   10.332  701.485  304.206  604.586  269.474 96.89893 406.3954 
1 1 1   20   26    8 o  446.594  211.554  -8.8237   7.8946 -11.5789   12.558  -7.0234   10.151  578.345  271.771  548.363  253.132 29.98236 371.3966 
1 1 1   20   26   12 f  656.036  262.928   4.0901   8.2140   3.6830   13.161   4.3498   10.513  770.662  323.293  719.808  294.167 50.85382 437.0950 
1 1 1   20   26   14 o  916.938  314.086   13.841   10.860   0.0000   0.0000   13.841   10.860  ?   ?   916.938  314.086 0.000000 314.0863 
1 1 1   20   26   16 o  1083.99  319.811   20.973   11.599   0.0000   0.0000   20.973   11.599  ?   ?   1083.99  319.811 0.000000 319.8110 
1 1 1   20   26   18 o  517.830  196.149   3.3138   4.3690   3.3138   4.3690   0.0000   0.0000  517.830  196.149  ?   ?  0.000000 196.1488 
1 1 1   20   27    1 o  577.836  254.171  -1.7542   8.8993   1.9175   13.792  -4.3737   11.649  770.557  327.474  630.277  283.144 140.2797 432.9088 
1 1 1   20   27    3 o  635.024  265.860   1.7601   8.8723   10.327   14.162  -3.7751   11.383  907.803  350.813  629.251  281.482 278.5513 449.7800 
1 1 1   20   27    5 o  561.852  249.406  -2.4456   8.7598  -8.6984   14.247   1.3546   11.107  656.803  301.989  692.098  294.000 -35.29443 421.4658 
1 1 1   20   27    7 o  557.373  258.632  -8.2740   10.802   0.0000   0.0000  -8.2740   10.802  ?   ?   557.373  258.632 0.000000 258.6317 
1 1 1   20   27    9 o  658.002  285.744  -0.4689   10.939   0.0000   0.0000  -0.4689   10.939  ?   ?   658.002  285.744 0.000000 285.7441 
1 1 1   20   27   11 o  564.009  259.065  -6.4711   10.449   0.0000   0.0000  -6.4711   10.449  ?   ?   564.009  259.065 0.000000 259.0645 
1 1 1   20   27   13 o  1267.80  306.894   28.250   12.052   0.0000   0.0000   28.250   12.052  ?   ?   1267.80  306.894 0.000000 306.8938 
1 1 1   20   27   15 o  795.649  279.036   9.8433   8.5951   11.162   13.128   8.8538   11.371  890.618  339.374  818.985  314.944 71.63379 462.9947 
1 1 1   20   28    0 f  548.847  259.524 -12.6334   11.780   0.0000   0.0000 -12.6334   11.780  ?   ?   548.847  259.524 0.000000 259.5239 
1 1 1   20   28    2 o  518.980  248.231 -14.6808   11.412   0.0000   0.0000 -14.6808   11.412  ?   ?   518.980  248.231 0.000000 248.2309 
1 1 1   20   28    4 o  507.952  242.678 -13.7318   10.843   0.0000   0.0000 -13.7318   10.843  ?   ?   507.952  242.678 0.000000 242.6775 
1 1 1   20   28    6 o  458.317  224.256 -19.7620   10.760   0.0000   0.0000 -19.7620   10.760  ?   ?   458.317  224.256 0.000000 224.2564 
1 1 1   20   28    8 o  511.274  243.455 -12.7827   10.724   0.0000   0.0000 -12.7827   10.724  ?   ?   511.274  243.455 0.000000 243.4546 
1 1 1   20   28   10 o  528.671  242.400  -5.6841   9.0926 -10.3664   13.993  -2.2620   11.962  632.186  293.695  663.335  293.097 -31.14893 414.9250 
1 1 1   20   29    1 o  899.491  331.813   11.259   12.332   0.0000   0.0000   11.259   12.332  ?   ?   899.491  331.813 0.000000 331.8131 
1 1 1   20   29    3 o  759.038  288.716   7.0730   9.4907   16.726   15.467   1.2432   12.020  1045.12  373.529  718.460  305.533 326.6599 482.5706 
1 1 1   21    0    1 o  339.919  168.298   2.7193   2.1566   2.7193   2.1566   2.7193   2.1566  339.919  168.298  339.919  168.298 -0.000000 0.000000 
1 1 1   21    0    3 o  1122.16  105.839   20.408   3.6429   20.408   3.6429   20.408   3.6429  1122.16  105.839  1122.16  105.839 -0.000000 0.000000 
1 1 1   21    0    5 o  468.893  190.982   4.9016   2.7547   4.9016   2.7547   4.9016   2.7547  468.893  190.982  468.893  190.982 -0.000000 0.000000 
1 1 1   21    0    7 o  1185.26  104.440   22.700   3.8069   22.700   3.8069   22.700   3.8069  1185.26  104.440  1185.26  104.440 -0.000000 0.000000 
1 1 1   21    0    9 o  2864.12  127.208  131.032   11.357  131.032   11.357  131.032   11.357  2864.12  127.208  2864.12  127.208 -0.000000 0.000000 
1 1 1   21    0   11 o  472.302  200.317   5.0882   3.0032   5.0882   3.0032   5.0882   3.0032  472.302  200.317  472.302  200.317 -0.000000 0.000000 
1 1 1   21    0   13 o  273.354  146.891   1.7121   1.7347   1.7121   1.7347   1.7121   1.7347  273.354  146.891  273.354  146.891 -0.000000 0.000000 
1 1 1   21    0   15 o  1900.59  109.549   57.855   6.4699   57.855   6.4699   57.855   6.4699  1900.59  109.549  1900.59  109.549 -0.000000 0.000000 
1 1 1   21    0   17 o  752.843  126.703   9.7235   2.7327   9.7235   2.7327   9.7235   2.7327  752.843  126.703  752.843  126.703 -0.000000 0.000000 
1 1 1   21    0   19 o  1230.09  107.307   24.491   4.0608   24.491   4.0608   24.491   4.0608  1230.09  107.307  1230.09  107.307 -0.000000 0.000000 
1 1 1   21    0   21 o  390.748  172.019   3.5056   2.2059   3.5056   2.2059   3.5056   2.2059  390.748  172.019  390.748  172.019 -0.000000 0.000000 
1 1 1   21    0   23 o  239.101  142.085   1.0076   1.8566   1.0076   1.8566   1.0076   1.8566  239.101  142.085  239.101  142.085 -0.000000 0.000000 
1 1 1   21    0   25 o  639.936  157.073   7.5635   2.7257   7.5635   2.7257   7.5635   2.7257  639.936  157.073  639.936  157.073 -0.000000 0.000000 
1 1 1   21    0   27 f  829.003  132.639   11.699   3.1788   11.699   3.1788   11.699   3.1788  829.003  132.639  829.003  132.639 -0.000000 0.000000 
1 1 1   21    0   29 o  682.688  159.399   8.5117   2.9622   8.5117   2.9622   8.5117   2.9622  682.688  159.399  682.688  159.399 -0.000000 0.000000 
1 1 1   21    0   31 f  547.697  236.994   6.9625   4.1898   6.9625   4.1898   6.9625   4.1898  547.697  236.994  547.697  236.994 -0.000000 0.000000 
1 1 1   21    0   33 o  1169.49  122.507   22.413   4.3735   22.413   4.3735   22.413   4.3735  1169.49  122.507  1169.49  122.507 -0.000000 0.000000 
1 1 1   21    0   35 o  1951.94  169.887   63.017   10.203   63.017   10.203   63.017   10.203  1951.94  169.887  1951.94  169.887 -0.000000 0.000000 
1 1 1   21    0   37 o  1462.67  178.157   36.470   7.8364   36.470   7.8364   36.470   7.8364  1462.67  178.157  1462.67  178.157 -0.000000 0.000000 
1 1 1   21    0   39 o  736.905  250.701   11.794   5.1862   11.794   5.1862   11.794   5.1862  736.905  250.701  736.905  250.701 -0.000000 0.000000 
1 1 1   21    0   41 o  330.450  206.652   1.5723   4.3947   1.5723   4.3947   1.5723   4.3947  330.450  206.652  330.450  206.652 -0.000000 0.000000 
1 1 1   21    0   43 f  422.550  257.567   3.9033   6.4222   3.9033   6.4222   3.9033   6.4222  422.550  257.567  422.550  257.567 -0.000000 0.000000 
1 1 1   21    0   47 o  528.425  299.799   8.2490   7.6815   8.2490   7.6815   8.2490   7.6815  528.425  299.799  528.425  299.799 -0.000000 0.000000 
1 1 1   21    1    0 o  1775.42   73.057   49.764   4.0614   48.524   5.7244   51.021   5.7632  1742.32  105.423  1787.42  103.414 -45.10669 147.6767 
1 1 1   21    1    2 o  2467.89   81.878   96.391   6.3272  102.303   8.9966   90.606   8.9001  2529.89  113.568  2375.22  120.057 154.6719 165.2616 
1 1 1   21    1    4 o  2183.51   91.098   75.682   6.2284   77.805   7.6603   71.540   10.699  2203.85  111.366  2084.86  165.244 118.9878 199.2690 
1 1 1   21    1    6 o  1280.70   70.580   25.980   2.8195   28.228   4.0349   23.835   3.9415  1328.29   97.697  1218.07  104.349 110.2185 142.9450 
1 1 1   21    1    8 o  1561.33   72.651   38.543   3.5518   38.658   5.0701   38.433   4.9773  1552.11  104.939  1548.16  103.266 3.946045 147.2279 
1 1 1   21    1   10 o  2762.85  102.170  122.063   8.8389  121.523   15.446  122.325   10.778  2688.82  184.570  2751.49  125.102 -62.66284 222.9715 
1 1 1   21    1   12 o  741.047   96.998   8.9220   2.1967   8.5246   2.7977   9.5608   3.5472  714.262  129.877  748.374  156.412 -34.11224 203.3046 
1 1 1   21    1   14 o  1234.45   74.451   24.287   2.8643   22.821   4.1323   25.642   3.9739  1182.97  112.929  1259.16  101.658 -76.18274 151.9449 
1 1 1   21    1   16 o  554.498   96.180   5.0693   1.6094   5.8475   2.2895   4.3090   2.2629  587.343  128.095  503.006  139.033 84.33704 189.0460 
1 1 1   21    1   18 o  571.951   96.840   5.3899   1.6724   4.7896   2.3414   6.0153   2.3897  529.204  139.368  594.800  131.779 -65.59662 191.8050 
1 1 1   21    1   20 o  844.223   93.805   11.551   2.4378   6.4921   4.2381   14.053   2.9801  612.208  195.701  928.642  104.291 -316.4341 221.7549 
1 1 1   21    1   22 o  186.284   86.558  -1.0460   1.2163  -2.2454   1.7802   0.0041   1.6657  207.371   98.867  263.680  112.973 -56.30891 150.1251 
1 1 1   21    1   24 o  456.034  125.205   3.5109   1.8424   5.5355   2.2598  -0.5018   3.1814  570.684  129.440  344.539  151.748 226.1451 199.4547 
1 1 1   21    1   26 o  770.826   89.236   9.6534   2.1140   9.0402   3.0105   10.250   2.9692  728.462  137.012  781.511  125.589 -53.04907 185.8623 
1 1 1   21    1   28 o  622.776  123.467   6.5895   2.3226   10.919   4.0361   4.4456   2.8400  784.381  169.293  508.693  159.932 275.6880 232.8908 
1 1 1   21    1   30 o  606.498  110.878   6.1929   2.0281   6.4672   2.8098   5.8945   2.9302  606.191  149.070  576.556  157.739 29.63428 217.0339 
1 1 1   21    1   32 o  601.259  134.044   6.3094   2.4592   4.9274   3.0776   8.7507   4.0905  526.577  166.602  684.606  185.985 -158.0296 249.6930 
1 1 1   21    1   34 o  1089.33  104.606   19.867   3.5242   18.185   6.1379   20.694   4.3044  953.482  211.154  1094.96  127.957 -141.4825 246.8986 
1 1 1   21    1   36 o  1798.11  122.998   56.925   6.8836   58.427   9.8513   55.491   9.6226  1703.76  187.777  1658.73  188.622 45.03247 266.1544 
1 1 1   21    1   38 o  326.302  151.631  -0.9430   3.7338   0.0000   0.0000  -0.9430   3.7338  ?   ?   326.302  151.631 0.000000 151.6310 
1 1 1   21    1   40 o  600.865  188.984   9.1808   3.9651   8.5414   6.6241   9.5378   4.9498  505.577  220.908  568.562  210.121 -62.98511 304.8787 
1 1 1   21    1   42 o  1054.91  291.530   46.689   9.9503   0.0000   0.0000   46.689   9.9503  ?   ?   1054.91  291.530 0.000000 291.5296 
1 1 1   21    1   44 o  353.620  159.793   3.0265   3.7739   5.5799   6.5066   1.7320   4.6328  385.183  185.075  336.786  160.271 48.39624 244.8254 
1 1 1   21    1   46 o  405.745  171.783   6.5633   3.7715   10.526   7.2807   5.1097   4.4092  381.954  186.369  359.273  166.190 22.68033 249.7047 
1 1 1   21    2    1 o  2577.69   84.566  105.214   6.8256  104.416   9.6590  106.010   9.6468  2552.95  120.830  2572.87  119.743 -19.92627 170.1123 
1 1 1   21    2    3 o  2461.00   94.121   96.199   7.2529   96.836   8.9065   94.945   12.497  2460.19  115.617  2403.19  167.108 57.00415 203.2056 
1 1 1   21    2    5 o  1572.00   73.020   39.041   3.5943   39.665   5.1598   38.453   5.0097  1573.56  105.330  1549.73  103.839 23.82837 147.9085 
1 1 1   21    2    7 o  1059.23   73.223   17.818   2.4137   17.530   3.5311   18.070   3.3069  1041.44  109.946  1060.12  100.834 -18.68359 149.1831 
1 1 1   21    2    9 o  1770.92   75.714   49.650   4.1985   49.349   5.9878   49.942   5.8886  1751.72  109.718  1763.33  107.159 -11.60852 153.3660 
1 1 1   21    2   11 o  2097.60   77.848   69.791   5.1131   60.502   7.2421   79.024   7.2201  1932.34  120.289  2220.85  103.826 -288.5146 158.9003 
1 1 1   21    2   13 o  804.045   91.805   10.457   2.2699   10.319   2.8059   10.716   3.8614  791.061  116.790  789.946  161.558 1.114502 199.3512 
1 1 1   21    2   15 o  1542.36   74.426   37.803   3.5944   39.864   5.1503   35.846   5.0188  1569.00  105.445  1485.98  108.615 83.01648 151.3796 
1 1 1   21    2   17 o  585.309   92.828   5.6170   1.6445   6.3516   2.3421   4.9026   2.3097  613.300  126.169  535.686  137.117 77.61383 186.3320 
1 1 1   21    2   19 o  280.350  107.461   0.8913   1.3212   0.4243   1.8377   1.3909   1.9007  292.636  121.624  339.191  129.160 -46.55429 177.4111 
1 1 1   21    2   21 o  752.227   84.671   9.1326   1.9597   5.7227   2.7233   12.795   2.8221  577.193  149.489  886.066  103.678 -308.8730 181.9232 
1 1 1   21    2   23 o  637.712  109.280   6.7395   2.1036   3.6655   3.4520   8.5554   2.6532  490.776  176.354  715.820  122.792 -225.0439 214.8918 
1 1 1   21    2   25 o  1354.59   88.956   29.522   3.7522   28.652   6.4031   29.976   4.6305  1295.95  161.280  1355.50  110.047 -59.54480 195.2477 
1 1 1   21    2   27 o  1642.45   88.078   43.435   4.5133   41.008   7.7073   44.702   5.5677  1546.67  161.527  1654.89  108.038 -108.2244 194.3276 
1 1 1   21    2   29 o  665.912  141.678   7.6862   2.8634   7.9435   4.0227   7.4220   4.0768  660.256  186.407  638.461  189.908 21.79492 266.1064 
1 1 1   21    2   31 o  1221.65  112.737   24.736   4.2638   25.617   6.0294   23.854   6.0306  1208.30  163.564  1159.71  171.221 48.59680 236.7909 
1 1 1   21    2   33 o  2122.57  119.697   75.686   7.9229   78.866   11.243   72.549   11.166  2091.36  173.252  1994.06  180.803 97.29358 250.4117 
1 1 1   21    2   35 o  1241.72  129.442   27.055   4.9589   0.0000   0.0000   27.055   4.9589  ?   ?   1241.72  129.442 0.000000 129.4417 
1 1 1   21    2   37 o  544.581  174.928   6.2565   3.3830   9.9308   5.1412   3.4506   4.4928  638.578  216.115  449.703  188.780 188.8754 286.9558 
1 1 1   21    2   39 o  576.141  163.533   7.2583   3.0874   8.5472   5.6801   6.7178   3.6782  541.916  218.130  530.322  182.731 11.59399 284.5550 
1 1 1   21    2   41 o  473.515  166.512   5.4857   3.0617   13.256   5.2859   1.5626   3.7559  646.648  219.134  353.474  159.599 293.1741 271.0930 
1 1 1   21    2   43 o  395.391  162.600   4.1018   3.2371  -0.5599   6.3869   5.7133   3.7552  342.203  168.508  435.518  176.635 -93.31528 244.1205 
1 1 1   21    2   45 o  231.592  114.644  -3.3725   3.0961 -15.0380   6.3712   0.2340   3.5425  ?   ?   291.109  138.977 0.000000 138.9775 
1 1 1   21    3    0 o  1951.44   88.137   60.347   5.3855   57.172   9.2080   61.998   6.6396  1868.34  158.904  1969.19  108.095 -100.8450 192.1843 
1 1 1   21    3    2 o  2268.21  114.708   82.444   8.1204   87.253   11.503   77.667   11.465  2308.86  160.103  2171.79  169.946 137.0691 233.4835 
1 1 1   21    3    4 o  1103.20   83.824   19.384   2.8739   16.953   4.9015   20.657   3.5478  1008.35  160.627  1134.85  100.891 -126.5026 189.6842 
1 1 1   21    3    6 o  294.574  108.419   1.1122   1.3155   2.8204   2.1592   0.1038   1.6589  424.962  139.982  268.739  113.862 156.2234 180.4427 
1 1 1   21    3    8 o  345.164  123.114   1.6670   1.6794   1.2214   2.2467   2.2312   2.5281  352.100  138.669  408.163  150.289 -56.06308 204.4894 
1 1 1   21    3   10 o  1569.92   84.954   39.269   4.1606   37.357   7.1949   40.230   5.0998  1501.07  155.323  1582.48  103.490 -81.40552 186.6422 
1 1 1   21    3   12 o  1464.21   84.131   34.225   3.8410   30.649   6.6027   36.055   4.7223  1352.33  158.960  1496.54  101.372 -144.2070 188.5332 
1 1 1   21    3   14 o  306.468  118.554   1.0324   1.6186   1.1726   2.1422   0.8460   2.4709  342.212  135.205  347.126  142.324 -4.913452 196.3073 
1 1 1   21    3   16 o  918.718   86.218   13.593   2.4513   13.018   4.1183   13.908   3.0505  872.381  156.513  922.417  107.638 -50.03625 189.9533 
1 1 1   21    3   18 o  348.654  117.286   1.8701   1.5141   3.0797   2.5550   1.2153   1.8798  443.847  152.332  329.844  127.716 114.0031 198.7872 
1 1 1   21    3   20 o  614.270  125.998   6.3508   2.3422   4.7647   3.3327   7.8987   3.2923  534.623  173.804  676.432  158.251 -141.8094 235.0555 
1 1 1   21    3   22 o  441.069  120.314   3.2642   1.7077   6.8625   2.9530   1.4563   2.0932  631.698  151.290  352.043  135.186 279.6557 202.8889 
1 1 1   21    3   24 o  424.965  135.056   2.9503   2.0207   4.0112   2.9266   1.9837   2.7934  493.934  162.981  404.161  155.913 89.77267 225.5472 
1 1 1   21    3   26 o  439.451  131.611   3.2397   1.9530   3.5195   3.0369   3.0423   2.5504  472.457  165.853  439.889  152.126 32.56830 225.0539 
1 1 1   21    3   28 o  926.052  102.550   14.061   2.9237   16.273   4.8006   12.756   3.6862  965.575  164.685  864.667  141.010 100.9078 216.8067 
1 1 1   21    3   30 o  368.612  133.927   1.9671   1.9981   0.3506   3.2201   2.9792   2.5479  365.224  156.795  433.771  151.935 -68.54712 218.3318 
1 1 1   21    3   32 o  1518.73   92.765   37.595   4.3903   36.293   5.4071   40.112   7.5213  1474.30  118.119  1511.06  161.463 -36.75513 200.0559 
1 1 1   21    3   34 o  607.611  127.895   6.5072   2.3563   12.449   3.2190  -0.3521   3.4585  848.024  124.973  349.739  155.894 498.2847 199.8024 
1 1 1   21    3   36 o  1367.45   97.620   31.667   4.1525   31.341   5.1770   32.257   6.9533  1327.89  126.019  1275.45  179.034 52.43201 218.9383 
1 1 1   21    3   38 o  767.792  121.573   10.876   2.8254   9.9810   4.1258   11.667   3.8773  659.449  189.656  743.143  170.275 -83.69403 254.8787 
1 1 1   21    3   40 o  231.814  111.750  -2.4633   2.4208  -2.1193   3.3938  -2.8198   3.4541  282.996  135.360  275.194  132.864 7.802795 189.6718 
1 1 1   21    3   42 o  981.530  131.673   19.836   3.9448   21.708   6.8756   18.917   4.8164  744.328  249.933  867.699  183.030 -123.3714 309.7845 
1 1 1   21    3   44 o  243.214  118.106  -2.0672   2.8289   2.2147   5.8151  -3.3947   3.2379  351.172  170.255  241.511  119.127 109.6609 207.7930 
1 1 1   21    3   46 o  855.010  136.256   17.348   3.5255   20.551   5.2117   14.646   4.7869  722.779  214.661  575.443  207.566 147.3364 298.6021 
1 1 1   21    4    1 o  1736.79  106.521   48.238   5.7650   50.315   8.1900   46.198   8.1163  1756.00  150.402  1679.53  156.118 76.47107 216.7799 
1 1 1   21    4    3 o  1223.59   83.027   23.807   3.1623   26.578   5.5121   22.447   3.8608  1275.83  140.294  1182.38  105.385 93.44299 175.4662 
1 1 1   21    4    5 o  2193.80   90.449   76.394   6.2132   76.476   10.787   76.353   7.6006  2158.21  160.778  2182.79  111.576 -24.57788 195.7010 
1 1 1   21    4    7 o  2189.62   91.801   76.205   6.2941   78.667   10.899   74.973   7.7094  2186.38  160.324  2160.13  114.386 26.24854 196.9469 
1 1 1   21    4    9 o  2031.35  111.084   66.352   7.0389   0.0000   0.0000   66.352   7.0389  ?   ?   2031.35  111.084 0.000000 111.0844 
1 1 1   21    4   11 o  1248.45   83.841   24.886   3.2585   24.095   5.5465   25.303   4.0266  1202.98  150.542  1252.58  103.594 -49.59839 182.7417 
1 1 1   21    4   13 o  269.687  106.670   0.6741   1.3348   1.2848   2.2165   0.3266   1.6719  351.191  137.918  277.582  115.743 73.60818 180.0492 
1 1 1   21    4   15 o  547.320  105.981   4.9794   1.7507   5.8191   2.9200   4.5082   2.1874  581.039  156.841  515.104  134.254 65.93439 206.4537 
1 1 1   21    4   17 o  1291.88  103.045   27.013   4.1337   28.330   5.8192   25.671   5.8729  1302.95  145.097  1234.13  155.424 68.82031 212.6256 
1 1 1   21    4   19 o  1316.27   85.277   27.729   3.4958   26.496   6.0427   28.349   4.2858  1254.66  157.268  1323.95  104.226 -69.28650 188.6695 
1 1 1   21    4   21 o  431.001  122.681   3.0983   1.7350   1.2386   2.1658   6.4303   2.8990  346.518  136.251  611.923  151.984 -265.4048 204.1160 
1 1 1   21    4   23 o  364.548  114.696   2.1398   1.4604   1.1779   2.1428   2.9742   1.9956  342.340  135.233  426.444  134.062 -84.10495 190.4225 
1 1 1   21    4   25 o  1389.99   77.938   30.876   3.3785   33.014   4.7755   28.733   4.7802  1424.52  107.863  1324.28  116.464 100.2386 158.7392 
1 1 1   21    4   27 o  1138.81   86.953   20.911   3.0772   24.705   3.8833   14.506   5.0449  1232.09  101.561  901.581  184.908 330.5051 210.9634 
1 1 1   21    4   29 o  1739.77  110.165   49.587   5.9704   50.287   8.5118   48.909   8.3767  1710.35  160.824  1686.90  160.522 23.45667 227.2258 
1 1 1   21    4   31 o  451.613  134.703   3.4920   2.0490   3.8405   2.7402   3.0500   3.0859  476.397  157.730  449.224  165.930 27.17276 228.9361 
1 1 1   21    4   33 o  387.672  134.969   2.4088   2.0092   4.8030   2.8098  -0.0962   2.8741  516.894  158.523  330.708  144.979 186.1855 214.8221 
1 1 1   21    4   35 o  1814.25   85.820   54.176   4.8753   58.732   6.8323   49.450   6.9589  1845.42  118.869  1672.25  134.025 173.1686 179.1440 
1 1 1   21    4   37 o  219.134  103.290  -1.5623   1.8391   2.5173   2.7918  -4.6898   2.4444  391.861  154.500  207.081  102.395 184.7801 185.3509 
1 1 1   21    4   39 o  470.436  169.919   4.9389   3.2095   5.0560   5.5026   4.8785   3.9512  465.029  202.304  462.025  183.280 3.003998 272.9807 
1 1 1   21    4   41 o  666.279  140.129   9.2632   2.8308   14.808   4.4250   5.4221   3.6831  775.647  184.819  457.318  178.298 318.3296 256.8036 
1 1 1   21    4   43 o  355.635  152.097   2.7169   3.0094   1.2563   5.5677   3.3198   3.5769  353.080  170.029  373.363  162.756 -20.28375 235.3711 
1 1 1   21    4   45 o  454.112  175.353   7.0337   3.5361   4.2504   5.4371   9.0740   4.6552  359.270  171.700  459.063  192.408 -99.79370 257.8793 
1 1 1   21    5    0 o  306.030  119.982   0.9091   1.6749   1.7483   2.4543   0.1776   2.2915  385.699  146.793  316.239  133.895 69.45999 198.6861 
1 1 1   21    5    2 o  629.509  104.479   6.4702   1.9872   4.9587   3.3081   7.3236   2.4857  550.382  172.541  665.943  123.761 -115.5609 212.3373 
1 1 1   21    5    4 o  2004.43   89.103   63.725   5.5924   68.995   9.7247   61.121   6.8359  2055.45  152.177  1952.65  112.275 102.8044 189.1124 
1 1 1   21    5    6 o  707.396   92.701   8.0809   2.0039   7.0738   3.4869   8.5776   2.4487  644.464  170.247  724.508  111.516 -80.04376 203.5186 
1 1 1   21    5    8 o  767.885  114.573   9.6506   2.6705   0.0000   0.0000   9.6506   2.6705  ?   ?   767.885  114.573 0.000000 114.5733 
1 1 1   21    5   10 o  807.099   78.365   10.423   1.9555   11.798   2.8286   9.1644   2.7064  851.267  108.593  745.352  120.036 105.9150 161.8675 
1 1 1   21    5   12 o  1199.18   74.431   22.890   2.7810   21.627   3.9695   24.109   3.8974  1153.83  111.248  1221.87  102.823 -68.04138 151.4879 
1 1 1   21    5   14 o  985.121   78.117   15.518   2.3899   14.282   3.4374   16.675   3.3250  931.365  120.706  1012.64  106.455 -81.27875 160.9428 
1 1 1   21    5   16 o  283.291  107.404   0.9487   1.3107  -0.2638   1.8227   2.2471   1.8861  266.032  116.070  383.364  130.893 -117.3314 174.9431 
1 1 1   21    5   18 o  917.123   77.281   13.450   2.1986   12.408   3.1992   14.383   3.0266  867.483  121.079  940.737  104.515 -73.25409 159.9484 
1 1 1   21    5   20 o  1320.56   74.104   27.743   3.0518   30.506   4.3879   25.155   4.2473  1375.19  102.640  1245.26  110.061 129.9281 150.4942 
1 1 1   21    5   22 o  434.708  114.414   3.1641   1.5786   1.5203   2.3299   4.5591   2.1463  366.659  142.127  518.788  131.848 -152.1292 193.8653 
1 1 1   21    5   24 o  547.901  108.990   5.0081   1.8040   5.5904   2.6974   4.5368   2.4266  570.119  149.323  515.908  144.473 54.21106 207.7735 
1 1 1   21    5   26 o  527.614  123.682   4.7285   2.0078   5.2596   2.5894   3.9278   3.1794  552.026  147.134  493.352  169.895 58.67462 224.7505 
1 1 1   21    5   28 o  755.147  101.985   9.3814   2.3498   10.327   3.0650   8.0337   3.6598  782.052  129.708  671.561  172.985 110.4912 216.2123 
1 1 1   21    5   30 o  920.242   87.301   13.736   2.4855   18.869   3.5439   8.7672   3.4868  1071.08  107.103  703.556  161.668 367.5253 193.9265 
1 1 1   21    5   32 o  1284.15   81.980   26.676   3.2792   26.085   4.6397   27.266   4.6353  1247.13  120.305  1277.36  117.198 -30.23853 167.9538 
1 1 1   21    5   34 o  351.212  128.568   1.8604   1.8463   4.5724   2.9604   0.1339   2.3620  499.862  163.870  306.530  132.947 193.3318 211.0174 
1 1 1   21    5   36 o  619.890  120.336   6.9019   2.2515   4.5600   3.7328   8.2411   2.8229  484.717  181.807  664.438  140.093 -179.7210 229.5213 
1 1 1   21    5   38 o  724.701  128.834   9.8852   2.8164   16.331   4.0089   3.6036   3.9576  916.187  144.531  435.283  179.487 480.9040 230.4453 
1 1 1   21    5   40 o  504.117  193.103   6.7652   4.2643   6.7652   4.2643   0.0000   0.0000  504.117  193.103  ?   ?  0.000000 193.1032 
1 1 1   21    5   42 o  258.629  121.689  -0.9792   2.5318   4.7407   4.2359  -4.1582   3.1579  419.392  179.936  238.437  117.618 180.9552 214.9668 
1 1 1   21    5   44 o  238.251  116.005  -2.3233   2.7788   0.1764   5.3919  -3.2272   3.2425  329.141  160.552  244.402  120.293 84.73885 200.6173 
1 1 1   21    5   46 o  373.277  171.124   5.8025   4.5290   0.0000   0.0000   5.8025   4.5290  ?   ?   373.277  171.124 0.000000 171.1235 
1 1 1   21    6    1 o  528.319  100.296   4.5789   1.5985   3.3961   2.1567   6.0207   2.3812  456.984  138.629  601.285  130.241 -144.3007 190.2119 
1 1 1   21    6    3 o  368.339  112.488   2.1772   1.4166   5.4005   1.9227  -1.6499   2.0951  572.350  111.291  248.126  114.699 324.2241 159.8175 
1 1 1   21    6    5 o  1232.86   73.847   24.100   2.8377   24.498   4.0878   23.730   3.9422  1234.69  106.787  1215.68  104.581 19.00159 149.4678 
1 1 1   21    6    7 o  945.067   89.259   14.307   2.6101   11.227   4.8496   15.562   3.0969  804.538  194.622  982.709  102.137 -178.1710 219.7949 
1 1 1   21    6    9 o  1226.02   84.859   23.983   3.2377   23.783   5.5708   24.086   3.9786  1196.74  152.097  1222.63  104.942 -25.89038 184.7874 
1 1 1   21    6   11 o  1163.39   86.580   21.657   3.1314   21.151   3.8535   22.641   5.3730  1142.46  109.044  1165.21  150.800 -22.74731 186.0945 
1 1 1   21    6   13 o  675.398   89.365   7.3959   1.8435   7.5573   2.6214   7.2380   2.5930  671.315  129.400  656.241  130.782 15.07410 183.9794 
1 1 1   21    6   15 o  1200.30   88.232   23.095   3.2929   22.814   4.0492   23.645   5.6583  1185.20  110.379  1186.28  156.121 -1.071777 191.1994 
1 1 1   21    6   17 o  410.143  111.028   2.7996   1.4608   3.6448   2.0931   1.9971   2.0397  467.071  135.307  376.351  135.525 90.71954 191.5069 
1 1 1   21    6   19 o  271.169  109.699   0.5422   1.4444   0.2403   2.0631   0.8325   2.0229  301.629  127.342  322.195  130.003 -20.56680 181.9796 
1 1 1   21    6   21 o  674.586  108.025   7.4846   2.2048   5.2127   2.8134   11.101   3.5495  553.255  155.785  811.860  144.943 -258.6042 212.7847 
1 1 1   21    6   23 o  806.311   98.669   10.571   2.4392   12.085   3.0488   7.8789   4.0656  856.962  116.651  669.413  186.841 187.5494 220.2661 
1 1 1   21    6   25 o  424.503  126.014   2.9994   1.7963   3.0810   2.3344   2.8810   2.8128  438.232  145.606  441.372  159.126 -3.139832 215.6903 
1 1 1   21    6   27 o  749.092   96.351   9.1696   2.2076   7.3207   3.1198   11.024   3.1243  648.196  155.669  810.937  127.226 -162.7405 201.0453 
1 1 1   21    6   29 o  595.806  125.620   6.0442   2.2698   5.0246   3.0427   7.3234   3.4081  538.165  164.948  642.581  167.627 -104.4157 235.1737 
1 1 1   21    6   31 o  1314.03   94.806   28.115   3.8747   30.126   4.9926   25.069   6.1441  1345.39  119.764  1192.31  169.327 153.0786 207.4005 
1 1 1   21    6   33 o  557.547  135.202   5.5111   2.3360   3.5306   3.3494   7.3870   3.2597  466.272  172.742  633.195  163.333 -166.9224 237.7343 
1 1 1   21    6   35 o  657.480  131.139   7.7947   2.6051   5.3010   3.6365   10.424   3.7338  521.133  181.571  735.571  166.046 -214.4382 246.0475 
1 1 1   21    6   37 o  396.482  145.314   2.8232   2.3596   4.8385   3.8769   1.6374   2.9739  483.283  184.361  366.025  153.619 117.2579 239.9741 
1 1 1   21    6   39 o  347.031  156.354   0.6701   3.5823   0.6701   3.5823   0.0000   0.0000  347.031  156.354  ?   ?  0.000000 156.3540 
1 1 1   21    6   41 o  843.630  115.315   13.559   2.9664   13.683   4.6559   13.474   3.8487  715.679  200.013  774.784  163.767 -59.10474 258.5052 
1 1 1   21    6   43 o  223.032  106.330  -1.4355   2.0588  -9.5723   4.3512   0.9115   2.3369  234.469  118.663  292.983  129.496 -58.51454 175.6422 
1 1 1   21    6   45 o  305.917  136.732   1.6061   2.6801   7.3593   8.8571   1.0262   2.8119  376.046  187.436  294.174  134.851 81.87198 230.9047 
1 1 1   21    7    0 o  534.769   99.424   4.6844   1.6036   4.8546   2.2355   4.5040   2.3015  539.229  133.185  519.747  138.798 19.48285 192.3625 
1 1 1   21    7    2 f  1057.02   75.543   17.736   2.4838   16.765   3.4747   18.751   3.5519  1019.45  110.627  1079.89  106.426 -60.43689 153.5080 
1 1 1   21    7    4 o  1003.03   75.363   15.986   2.3497   13.586   3.2519   18.608   3.3988  914.581  116.173  1076.41  102.060 -161.8242 154.6362 
1 1 1   21    7    6 o  1251.60   85.900   24.958   3.3461   23.999   6.0642   25.378   4.0122  1199.57  165.886  1257.49  102.795 -57.92236 195.1542 
1 1 1   21    7    8 o  1102.13   86.667   19.409   2.9668   18.532   3.6893   21.014   4.9912  1069.66  111.801  1127.74  144.682 -58.08618 182.8445 
1 1 1   21    7   10 o  1226.50  103.574   24.248   3.9406   18.637   5.4927   30.198   5.6564  1046.68  173.683  1356.89  134.921 -310.2108 219.9305 
1 1 1   21    7   12 o  573.884  101.257   5.4203   1.7530   7.8936   2.4493   2.8227   2.5101  690.690  117.458  432.667  150.847 258.0226 191.1831 
1 1 1   21    7   14 o  470.276  113.775   3.7016   1.6572   4.3843   2.2851   2.9442   2.4069  509.634  139.242  435.534  147.869 74.09982 203.1094 
1 1 1   21    7   16 o  883.739   95.961   12.611   2.6128   12.632   3.2377   12.571   4.4240  876.800  121.167  856.138  171.013 20.66199 209.5878 
1 1 1   21    7   18 o  321.288  118.839   1.3309   1.5840  -1.0599   2.2368   3.7359   2.2434  273.012  123.226  474.331  140.827 -201.3191 187.1274 
1 1 1   21    7   20 o  809.322  103.964   10.655   2.5737   9.6103   3.3105   12.250   4.0920  755.036  145.301  849.397  159.716 -94.36194 215.9204 
1 1 1   21    7   22 o  1578.49   88.748   39.848   4.3687   40.720   5.4231   38.235   7.3735  1586.99  109.809  1512.36  158.038 74.62939 192.4426 
1 1 1   21    7   24 o  704.794  110.495   8.1954   2.3583   8.8965   3.1112   7.2484   3.6158  724.081  142.294  644.119  174.808 79.96204 225.4012 
1 1 1   21    7   26 o  398.164  131.258   2.5235   1.8983   0.3208   2.7049   4.6612   2.6648  341.406  145.058  522.250  153.068 -180.8440 210.8827 
1 1 1   21    7   28 o  684.260  128.912   7.9213   2.6607   6.7396   3.8571   8.9943   3.6752  616.877  185.000  715.049  167.144 -98.17175 249.3238 
1 1 1   21    7   30 o  247.388  110.111  -0.5256   1.7187  -0.0075   2.5582  -0.9518   2.3203  320.599  138.704  278.599  125.649 42.00031 187.1533 
1 1 1   21    7   32 o  2167.14   91.690   76.309   6.2219   85.050   7.8484   61.524   10.208  2269.32  110.450  1849.30  178.502 420.0278 209.9099 
1 1 1   21    7   34 f  1324.50   96.553   29.203   3.9768   32.980   5.1896   23.831   6.1896  1385.20  120.859  1114.88  183.701 270.3176 219.8933 
1 1 1   21    7   36 f  631.703  126.365   7.2711   2.4122   9.4703   3.7399   5.7044   3.1566  681.437  174.512  531.646  168.783 149.7906 242.7801 
1 1 1   21    7   38 o  1111.34  152.443   24.420   5.1650   32.690   6.5732   11.073   8.3508  1253.05  172.071  578.638  250.470 674.4095 303.8811 
1 1 1   21    7   40 o  700.163  129.134   9.5725   2.7268   10.407   4.1819   8.9552   3.5965  642.664  192.612  616.494  177.007 26.16986 261.5925 
1 1 1   21    7   42 o  500.643  146.579   5.6313   2.4448   8.5103   3.9525   3.8472   3.1115  547.761  189.383  404.095  161.870 143.6665 249.1336 
1 1 1   21    7   44 o  393.951  194.540   6.4387   8.7218   0.0000   0.0000   6.4387   8.7218  ?   ?   393.951  194.540 0.000000 194.5397 
1 1 1   21    8    1 o  906.646   92.840   13.171   2.5985   14.167   3.2177   11.303   4.4058  935.973  112.017  815.701  177.537 120.2723 209.9222 
1 1 1   21    8    3 o  1803.98   75.840   51.425   4.2840   46.997   6.0133   55.989   6.1046  1711.54  112.837  1871.81  104.573 -160.2642 153.8431 
1 1 1   21    8    5 o  1510.90  106.740   36.615   5.0174   27.114   7.0051   46.624   7.1898  1269.81  181.329  1693.51  136.752 -423.6917 227.1157 
1 1 1   21    8    7 f  736.307   83.347   8.7043   1.8878   8.0059   2.7048   9.3676   2.6359  694.016  129.222  756.235  114.935 -62.21991 172.9404 
1 1 1   21    8    9 o  829.898   78.119   11.009   2.0061   10.909   2.8318   11.110   2.8424  816.852  113.805  824.728  113.043 -7.875854 160.4063 
1 1 1   21    8   11 o  1307.57   76.123   27.184   3.1033   26.816   4.3542   27.565   4.4240  1288.42  108.948  1306.32  109.155 -17.90735 154.2226 
1 1 1   21    8   13 o  1784.00   90.316   50.811   5.0288   46.863   6.1901   58.476   8.6240  1702.00  116.858  1884.87  147.291 -182.8654 188.0174 
1 1 1   21    8   15 o  1479.51   89.483   34.951   4.1260   30.782   5.1193   42.680   6.9699  1377.36  119.894  1614.17  139.262 -236.8079 183.7623 
1 1 1   21    8   17 o  2259.94   96.348   81.437   6.8180   74.099   8.3807   95.799   11.725  2138.84  125.689  2411.61  156.102 -272.7717 200.4135 
1 1 1   21    8   19 o  888.519  131.424   13.036   3.5461   13.036   3.5461   0.0000   0.0000  888.519  131.424  ?   ?  0.000000 131.4236 
1 1 1   21    8   21 o  761.210  104.414   9.4458   2.4232   11.239   3.1705   6.9273   3.7575  824.419  126.888  633.738  180.592 190.6803 220.7129 
1 1 1   21    8   23 o  1174.04   94.139   22.170   3.4316   20.536   4.3732   24.787   5.5361  1117.48  127.249  1219.17  148.056 -101.6884 195.2249 
1 1 1   21    8   25 o  1385.38   89.686   30.801   3.8697   34.472   4.9659   25.125   6.1746  1457.34  109.625  1214.58  166.756 242.7651 199.5621 
1 1 1   21    8   27 o  739.634  102.687   8.9724   2.3140   10.436   3.3538   7.6428   3.1969  784.152  141.811  663.860  156.370 120.2922 211.0966 
1 1 1   21    8   29 o  1026.77   84.713   16.991   2.6993   19.558   4.0214   14.887   3.6415  1087.13  120.142  944.227  126.332 142.9053 174.3380 
1 1 1   21    8   31 o  1380.82   97.961   31.130   4.2080   26.501   5.4409   38.019   6.6382  1245.81  142.014  1492.79  143.794 -246.9739 202.1011 
1 1 1   21    8   33 o  676.455  108.444   7.7787   2.2194   6.2545   3.3173   9.0138   2.9861  577.414  171.208  712.714  138.798 -135.3011 220.4018 
1 1 1   21    8   35 o  416.913  137.099   3.1115   2.0715   5.5743   3.0188   0.9196   2.8479  535.104  164.345  348.879  148.551 186.2245 221.5325 
1 1 1   21    8   37 o  731.991  174.139   11.150   3.9333   13.989   4.6923   4.4417   7.2134  804.450  189.416  494.258  222.354 310.1925 292.0953 
1 1 1   21    8   39 o  584.797  144.954   6.9379   2.6410   6.7904   4.5234   7.0142   3.2530  517.994  198.772  560.551  170.301 -42.55713 261.7494 
1 1 1   21    8   41 o  837.606  144.984   14.566   3.6649   5.6545   8.3065   16.720   4.0839  447.880  213.542  886.888  152.558 -439.0078 262.4382 
1 1 1   21    8   43 o  271.057  123.723   0.0551   2.3335  -1.2221   7.6834   0.1849   2.4492  357.834  177.735  278.733  127.042 79.10144 218.4709 
1 1 1   21    9    0 o  394.073  126.105   2.4444   1.7594   1.9930   2.1269   3.4227   3.1311  382.419  138.295  480.894  168.428 -98.47455 217.9302 
1 1 1   21    9    2 o  459.822  140.262   3.4388   2.2034   3.4388   2.2034   0.0000   0.0000  459.822  140.262  ?   ?  0.000000 140.2615 
1 1 1   21    9    4 o  411.609  146.135   2.4251   2.3635   5.4860   3.6168   0.1436   3.1225  575.877  180.391  363.671  155.216 212.2057 237.9770 
1 1 1   21    9    6 o  1571.55   87.990   39.331   4.3125   34.435   5.2389   49.622   7.5952  1461.15  115.447  1744.22  140.252 -283.0621 181.6550 
1 1 1   21    9    8 o  968.788   86.414   15.018   2.5939   11.303   3.1779   22.432   4.4897  828.444  126.518  1173.82  124.031 -345.3748 177.1740 
1 1 1   21    9   10 o  497.991  118.851   4.1448   1.8275   3.8331   2.2155   4.8084   3.2327  480.134  139.240  539.777  170.747 -59.64334 220.3233 
1 1 1   21    9   12 o  728.250  102.046   8.6252   2.2631   7.7859   2.8053   10.189   3.8297  681.946  136.142  773.884  163.181 -91.93793 212.5152 
1 1 1   21    9   14 o  390.849  124.752   2.4232   1.7227   3.3092   2.0840   0.5115   3.0611  449.699  136.241  370.507  155.696 79.19144 206.8882 
1 1 1   21    9   16 o  910.918   94.206   13.336   2.6482   11.018   3.2661   17.786   4.5246  816.450  132.282  1037.93  143.018 -221.4745 194.8143 
1 1 1   21    9   18 f  704.305  107.045   8.1008   2.2864   9.5984   2.9012   5.6460   3.7144  762.533  125.900  582.101  182.884 180.4320 222.0305 
1 1 1   21    9   20 o  994.929   85.472   15.836   2.6369   16.925   3.7033   14.715   3.7556  1019.27  118.229  945.555  130.307 73.71204 175.9491 
1 1 1   21    9   22 o  779.518  100.321   9.8729   2.3919   11.527   3.4438   8.3312   3.3246  831.398  137.064  698.451  155.956 132.9471 207.6270 
1 1 1   21    9   24 o  1104.15   86.250   19.540   2.9583   23.533   4.2445   15.768   4.1253  1202.42  114.100  972.622  139.446 229.7990 180.1775 
1 1 1   21    9   26 o  415.770  133.964   2.7876   1.9829  -0.3921   2.7765   6.0978   2.8329  325.370  142.571  595.369  151.568 -269.9993 208.0851 
1 1 1   21    9   28 o  633.643  118.239   6.7280   2.2597   3.1397   3.2371   10.138   3.1558  463.449  170.149  774.899  134.964 -311.4495 217.1772 
1 1 1   21    9   30 o  907.341  110.049   13.614   3.0626   13.568   3.7519   13.706   5.3020  892.407  138.776  862.011  200.254 30.39539 243.6402 
1 1 1   21    9   32 o  387.102  140.332   2.2893   2.1920   4.0991   3.2971   0.8558   2.9344  489.570  172.728  361.715  152.243 127.8543 230.2455 
1 1 1   21    9   34 o  920.000   98.221   14.228   2.7858   15.226   4.0813   13.357   3.8118  915.498  147.374  856.445  147.460 59.05328 208.4794 
1 1 1   21    9   36 o  419.596  158.392   3.0883   2.8427   3.1886   3.1458   2.6415   6.6375  428.008  165.358  473.215  213.052 -45.20688 269.6931 
1 1 1   21    9   38 o  283.021  121.833   0.4575   1.9539  -5.3025   3.1303   4.1343   2.5010  236.405  116.705  453.946  150.707 -217.5406 190.6111 
1 1 1   21    9   40 o  255.538  119.172  -1.0834   2.3394  -3.5393   7.3556  -0.8070   2.4676  372.329  182.845  268.364  124.204 103.9654 221.0404 
1 1 1   21    9   42 o  228.991  109.527  -1.8039   2.2217 -13.4190   7.8386  -0.7893   2.3168  306.517  155.559  254.927  118.788 51.59038 195.7275 
1 1 1   21    9   44 o  144.921   73.169  -4.4781   1.5855  -6.6695   8.1720  -4.3923   1.6162  322.371  163.092  148.029   74.632 174.3422 179.3574 
1 1 1   21   10    1 o  702.446  131.455   8.1765   2.7851   8.1765   2.7851   0.0000   0.0000  702.446  131.455  ?   ?  0.000000 131.4552 
1 1 1   21   10    3 o  563.114  139.092   5.3218   2.4381   5.3218   2.4381   0.0000   0.0000  563.114  139.092  ?   ?  0.000000 139.0916 
1 1 1   21   10    5 o  642.045  138.173   6.9072   2.6955   6.9072   2.6955   0.0000   0.0000  642.045  138.173  ?   ?  0.000000 138.1732 
1 1 1   21   10    7 o  274.097  112.063   0.4610   1.5264  -1.6544   1.8204   5.4700   2.8013  225.638  105.193  569.310  153.597 -343.6723 186.1657 
1 1 1   21   10    9 o  929.477   81.486   13.789   2.3477   10.645   3.2306   17.308   3.4175  802.089  133.308  1035.60  106.928 -233.5161 170.8935 
1 1 1   21   10   11 o  1399.71   89.188   31.226   3.8886   28.672   6.4049   32.716   4.8938  1316.12  158.612  1426.26  110.440 -110.1423 193.2742 
1 1 1   21   10   13 o  953.309   89.588   14.544   2.6429   10.352   3.1983   23.568   4.6927  791.256  133.864  1204.67  126.282 -413.4115 184.0292 
1 1 1   21   10   15 o  310.530  119.414   1.0560   1.6347   1.1801   2.2778   0.9241   2.3475  352.683  139.393  346.347  139.941 6.336060 197.5198 
1 1 1   21   10   17 o  1412.17  105.395   31.989   4.6268   22.395   6.4795   41.971   6.6090  1149.83  186.344  1608.08  132.431 -458.2572 228.6088 
1 1 1   21   10   19 o  344.306  132.511   1.3242   2.0141   0.1168   2.7939   2.6306   2.9062  343.854  146.792  439.067  161.215 -95.21326 218.0323 
1 1 1   21   10   21 o  523.016  130.424   4.5989   2.1286   4.6379   2.6702   4.5310   3.5258  525.743  152.975  532.114  178.975 -6.370361 235.4432 
1 1 1   21   10   23 o  1811.47   81.658   52.131   4.6318   55.685   6.4995   48.462   6.6023  1857.16  112.295  1726.90  122.901 130.2570 166.4777 
1 1 1   21   10   25 o  229.283  108.376  -2.2617   2.0507  -3.6417   4.3909  -1.8767   2.3192  347.925  162.595  258.008  119.763 89.91696 201.9416 
1 1 1   21   10   27 o  1005.59  114.232   16.564   3.5331   14.171   5.1285   18.726   4.8742  896.458  188.672  1053.03  152.245 -156.5728 242.4364 
1 1 1   21   10   29 o  1004.20   95.853   16.387   2.9774   15.180   4.1631   17.651   4.2599  944.399  145.449  1024.42  136.176 -80.02502 199.2472 
1 1 1   21   10   31 o  1022.21   92.270   17.081   2.9215   20.054   4.1560   14.177   4.1077  1090.65  123.894  899.454  151.215 191.1932 195.4884 
1 1 1   21   10   33 o  314.483  126.424   1.0284   1.9054   2.4536   2.9028  -0.0504   2.5256  410.507  158.775  310.237  135.958 100.2697 209.0314 
1 1 1   21   10   35 o  413.424  156.171   2.8447   2.7648   3.4124   3.0562   0.2868   6.4869  440.823  164.672  444.754  204.225 -3.931305 262.3451 
1 1 1   21   10   37 o  920.212  108.414   14.886   3.0639   12.948   4.4270   16.667   4.2448  780.875  184.064  930.172  150.909 -149.2971 238.0193 
1 1 1   21   10   39 o  420.025  156.195   3.5192   2.7435  -1.7065   7.7970   4.2577   2.9310  406.779  197.198  450.219  162.416 -43.44000 255.4721 
1 1 1   21   10   41 o  816.315  152.898   14.074   3.7646   9.8167   9.0176   14.973   4.1428  497.142  232.548  822.485  166.573 -325.3430 286.0511 
1 1 1   21   10   43 o  250.721  117.112  -0.7515   2.2735 -25.0483   8.8131   0.9807   2.3531  ?   ?   298.960  131.119 0.000000 131.1192 
1 1 1   21   11    0 o  381.636  120.800   2.3044   1.6179   0.2821   2.1380   5.0142   2.4748  309.823  130.152  547.135  142.897 -237.3126 193.2855 
1 1 1   21   11    2 o  980.397  114.859   15.565   3.4592   15.565   3.4592   0.0000   0.0000  980.397  114.859  ?   ?  0.000000 114.8594 
1 1 1   21   11    4 o  413.983  132.000   2.7189   1.9291   3.7382   2.2315  -0.2954   3.8375  476.433  140.194  389.746  169.248 86.68765 219.7709 
1 1 1   21   11    6 o  865.708   98.865   12.070   2.6319   10.061   3.1199   17.029   4.9013  780.487  132.391  1010.82  160.196 -230.3310 207.8229 
1 1 1   21   11    8 o  686.447  118.169   7.7447   2.4483   8.6422   2.8693   5.3409   4.6955  722.396  131.699  588.590  206.251 133.8062 244.7122 
1 1 1   21   11   10 o  190.361   89.532  -1.4532   1.3681  -1.7087   1.6720  -0.9355   2.3798  211.822   99.418  287.805  128.726 -75.98314 162.6478 
1 1 1   21   11   12 o  1038.18  106.619   17.338   3.4167   12.796   4.6016   22.920   5.1009  869.985  174.982  1184.74  140.222 -314.7562 224.2339 
1 1 1   21   11   14 o  1346.11   80.751   28.753   3.3879   28.743   4.7139   28.764   4.8725  1337.19  113.658  1336.46  117.634 0.7374268 163.5724 
1 1 1   21   11   16 o  1262.19   93.068   25.419   3.6523   22.263   5.8476   27.437   4.6767  1157.07  166.166  1305.15  115.633 -148.0787 202.4404 
1 1 1   21   11   18 o  495.584  128.921   4.0997   2.0196   4.8911   2.5513   2.7715   3.3051  540.022  146.958  459.337  171.312 80.68512 225.7092 
1 1 1   21   11   20 o  1290.13   83.715   26.505   3.3636   23.768   4.6958   29.390   4.8203  1208.42  125.951  1348.97  115.223 -140.5468 170.7047 
1 1 1   21   11   22 o  1404.30   93.688   31.552   4.0960   24.576   5.1043   44.170   6.8643  1223.84  135.470  1645.10  134.430 -421.2570 190.8499 
1 1 1   21   11   24 f  362.803  129.107   1.8747   1.8459   0.1091   2.4552   4.1703   2.7995  322.389  137.616  503.280  158.861 -180.8911 210.1784 
1 1 1   21   11   26 o  825.520  103.152   11.097   2.6082   9.4372   3.5987   12.934   3.7854  741.421  159.727  878.126  142.560 -136.7047 214.0939 
1 1 1   21   11   28 o  248.350  111.185  -0.6770   1.7799  -3.5124   2.4849   2.3107   2.5508  236.623  113.861  407.840  150.816 -171.2172 188.9702 
1 1 1   21   11   30 o  415.199  133.654   2.8594   1.9741   5.3359   2.9495   0.8496   2.6570  549.221  161.054  352.250  146.310 196.9708 217.5888 
1 1 1   21   11   32 o  321.428  127.302   1.1518   1.9034   2.3208   2.7804   0.1209   2.6111  404.908  155.730  321.893  139.695 83.01505 209.2040 
1 1 1   21   11   34 o  254.346  113.121  -0.3577   1.8104  -1.9315   2.8317   0.7304   2.3546  279.677  130.658  323.118  136.206 -43.44055 188.7418 
1 1 1   21   11   36 o  791.315  112.216   10.995   2.7026   12.320   3.8820   9.7488   3.7648  795.402  161.383  693.132  173.785 102.2704 237.1620 
1 1 1   21   11   38 o  455.202  163.332   4.1879   2.9600  -9.1596   8.1742   6.2022   3.1755  367.996  182.875  539.913  169.013 -171.9167 249.0153 
1 1 1   21   11   40 o  466.172  165.527   4.7980   3.0325  -2.5274   8.0894   5.9958   3.2711  396.273  194.013  511.449  172.388 -115.1760 259.5354 
1 1 1   21   11   42 o  293.204  133.447   0.0993   2.6902   0.0000   0.0000   0.0993   2.6902  ?   ?   293.204  133.447 0.000000 133.4470 
1 1 1   21   12    1 o  790.311   90.268   10.023   2.1938   9.9408   2.9504   10.125   3.2807  778.522  125.280  782.049  139.067 -3.527710 187.1759 
1 1 1   21   12    3 o  571.613  131.340   5.4495   2.3014   10.057   4.1752   3.4387   2.7583  769.174  177.028  471.836  158.304 297.3380 237.4848 
1 1 1   21   12    5 o  409.613  171.597   0.6889   3.6997   0.6889   3.6997   0.0000   0.0000  409.613  171.597  ?   ?  0.000000 171.5972 
1 1 1   21   12    7 o  1001.50   95.791   16.051   2.9673   15.888   3.5013   16.467   5.5899  991.692  114.884  986.395  187.844 5.297119 220.1900 
1 1 1   21   12    9 f  1492.25  109.805   35.631   5.0947   35.631   5.0947   0.0000   0.0000  1492.25  109.805  ?   ?  0.000000 109.8053 
1 1 1   21   12   11 o  469.458  123.674   3.6498   1.8434   3.5782   2.3643   3.7608   2.9437  470.968  145.576  491.732  163.515 -20.76413 218.9279 
1 1 1   21   12   13 o  925.117  101.772   13.750   2.8993   14.516   4.5825   13.239   3.7440  933.636  162.661  898.243  137.490 35.39240 212.9840 
1 1 1   21   12   15 o  668.378  121.653   7.3541   2.4522   9.7722   3.1121   3.3939   3.9826  769.691  133.997  505.708  188.163 263.9832 230.9990 
1 1 1   21   12   17 o  748.938  101.464   9.0782   2.3182   5.2378   3.2185   13.218   3.3418  561.885  169.104  900.857  121.574 -338.9727 208.2702 
1 1 1   21   12   19 o  541.646  128.738   4.9051   2.1513   6.1919   3.0187   3.5771   3.0667  605.069  157.719  484.575  166.858 120.4936 229.6012 
1 1 1   21   12   21 o  991.634   93.255   15.771   2.8616   15.118   3.9203   16.516   4.1867  958.612  134.289  1001.71  137.075 -43.09875 191.8937 
1 1 1   21   12   23 f  1062.78   88.151   18.070   2.9070   20.023   4.0278   15.946   4.1999  1110.24  117.653  981.615  140.663 128.6272 183.3800 
1 1 1   21   12   25 o  849.755  126.356   11.924   3.2597   12.387   6.3432   11.759   3.7999  827.162  234.270  835.004  150.887 -7.841858 278.6561 
1 1 1   21   12   27 f  467.987  136.988   3.6782   2.1356   3.0466   2.8975   4.4292   3.1597  451.737  161.651  517.170  169.286 -65.43314 234.0698 
1 1 1   21   12   29 o  1530.61   99.291   38.088   4.7330   36.546   7.6005   39.065   6.0491  1448.59  170.852  1532.33  127.222 -83.74353 213.0158 
1 1 1   21   12   31 o  1314.29   88.921   28.165   3.6379   28.091   5.1654   28.238   5.1243  1284.06  130.274  1288.66  128.714 -4.599609 183.1361 
1 1 1   21   12   33 o  582.444  129.585   6.0383   2.3024   5.5485   3.3130   6.4958   3.2020  541.586  173.018  585.556  166.655 -43.96967 240.2270 
1 1 1   21   12   35 o  414.775  143.726   3.0363   2.2771   4.3064   3.4277   2.0330   3.0465  479.854  175.250  391.325  158.961 88.52914 236.6030 
1 1 1   21   12   37 o  362.226  139.648   2.0625   2.2399   0.9824   3.5008   2.8112   2.9146  366.942  160.456  407.044  158.633 -40.10254 225.6341 
1 1 1   21   12   39 o  545.434  177.076   6.6472   3.4599   0.0000   0.0000   6.6472   3.4599  ?   ?   545.434  177.076 0.000000 177.0757 
1 1 1   21   12   41 o  427.308  168.550   4.0056   3.3240   0.0000   0.0000   4.0056   3.3240  ?   ?   427.308  168.550 0.000000 168.5496 
1 1 1   21   13    0 o  417.833  130.883   2.7789   1.9040   2.6037   2.6526   2.9650   2.7345  431.604  154.645  450.415  157.422 -18.81140 220.6728 
1 1 1   21   13    2 o  2583.41  100.740  105.903   8.1491   90.895   14.072  113.475   9.9958  2345.00  193.368  2666.86  119.702 -321.8550 227.4196 
1 1 1   21   13    4 o  430.607  125.741   3.0204   1.8012   3.4896   2.3607   2.3666   2.7866  466.639  145.667  426.727  157.666 39.91193 214.6569 
1 1 1   21   13    6 o  322.486  123.915   1.1276   1.7594  -0.7401   2.1981   4.4581   2.9352  281.216  124.878  524.576  162.213 -243.3596 204.7131 
1 1 1   21   13    8 o  618.073  130.159   6.3259   2.4394   8.4574   2.7920  -0.5511   5.0149  717.297  129.053  442.229  192.747 275.0681 231.9615 
1 1 1   21   13   10 f  417.948  141.721   2.6189   2.2109   4.6382   2.4603  -5.8532   5.0396  528.875  144.476  353.935  168.058 174.9399 221.6227 
1 1 1   21   13   12 o  765.429  119.228   9.5479   2.7645   12.794   3.1339  -1.8382   5.8695  889.433  115.236  454.065  202.691 435.3687 233.1583 
1 1 1   21   13   14 o  704.220  131.048   8.1829   2.7834   9.5097   4.0850   7.0332   3.8027  749.463  176.912  646.349  180.805 103.1138 252.9591 
1 1 1   21   13   16 o  766.562  101.171   9.4901   2.3691   9.7897   3.4268   9.2158   3.2788  766.693  148.103  743.901  145.974 22.79230 207.9496 
1 1 1   21   13   18 o  1231.27   97.052   24.225   3.7114   18.135   4.6943   34.377   6.0614  1049.73  146.835  1455.84  134.486 -406.1091 199.1156 
1 1 1   21   13   20 o  352.982  133.262   1.4993   2.0124   0.0149   2.7829   3.1263   2.9134  340.877  146.036  461.253  162.407 -120.3752 218.4093 
1 1 1   21   13   22 o  1187.74   90.433   22.530   3.3380   16.538   4.6506   28.897   4.7940  996.937  153.935  1338.23  115.540 -341.2914 192.4723 
1 1 1   21   13   24 o  634.241  131.952   6.7387   2.5352   6.6275   3.7476   6.8326   3.4424  622.652  181.244  631.607  170.211 -8.955566 248.6384 
1 1 1   21   13   26 o  210.305   98.671  -1.6362   1.6445  -0.9465   2.1908  -2.5262   2.4888  272.191  122.488  256.027  120.522 16.16364 171.8392 
1 1 1   21   13   28 o  651.627  152.311   7.3943   3.0520  -1.3830   6.7135   9.6807   3.4265  472.971  213.481  748.022  151.486 -275.0508 261.7674 
1 1 1   21   13   30 o  484.464  137.814   4.0898   2.1902   0.6752   3.1300   7.3658   3.0657  367.863  156.160  642.596  154.308 -274.7330 219.5376 
1 1 1   21   13   32 o  430.141  146.488   3.1427   2.3623  -0.2152   3.6610   5.5379   3.0920  363.200  161.230  547.210  165.987 -184.0103 231.4015 
1 1 1   21   13   34 o  294.708  134.672  -1.0942   2.7748  -1.0412   2.9601  -1.4782   7.9690  305.905  139.519  464.562  217.722 -158.6569 258.5891 
1 1 1   21   13   36 o  492.599  169.279   4.7473   3.1556   0.0000   0.0000   4.7473   3.1556  ?   ?   492.599  169.279 0.000000 169.2788 
1 1 1   21   13   38 o  496.974  145.872   4.8550   2.4186   5.2782   3.6029   4.5079   3.2630  498.886  180.058  470.999  171.145 27.88690 248.4182 
1 1 1   21   13   40 o  449.795  167.710   4.3206   3.1671   0.0000   0.0000   4.3206   3.1671  ?   ?   449.795  167.710 0.000000 167.7097 
1 1 1   21   14    1 o  1192.08  120.193   22.832   4.4252   11.142   6.4410   33.282   6.0900  808.609  238.252  1436.58  137.047 -627.9753 274.8563 
1 1 1   21   14    3 o  2076.82   94.882   68.207   6.1702   67.530   7.6090   69.508   10.544  2057.48  118.610  2070.28  163.998 -12.79590 202.3952 
1 1 1   21   14    5 o  485.097  127.792   3.8854   1.9682   3.4220   2.5035   4.6354   3.1848  467.098  150.526  537.687  169.412 -70.58972 226.6242 
1 1 1   21   14    7 o  1970.09   83.686   61.237   5.1624   60.108   7.2235   62.415   7.3807  1940.64  119.453  1977.56  119.757 -36.92542 169.1477 
1 1 1   21   14    9 o  1264.51   83.249   25.336   3.2778   21.457   4.4714   29.842   4.8191  1153.99  125.781  1366.17  113.685 -212.1846 169.5438 
1 1 1   21   14   11 o  528.691  170.256   4.4365   3.2032   4.4365   3.2032   0.0000   0.0000  528.691  170.256  ?   ?  0.000000 170.2562 
1 1 1   21   14   13 o  1492.68  101.041   35.482   4.6948   35.051   5.6001   36.501   8.6120  1477.84  122.112  1483.67  189.720 -5.825928 225.6213 
1 1 1   21   14   15 f  654.287  162.915   7.2016   3.3249   6.1638   3.9814   9.5935   6.0443  611.579  188.889  752.626  232.781 -141.0475 299.7766 
1 1 1   21   14   17 o  723.115  108.532   8.4968   2.3816   5.7561   3.4447   11.006   3.2963  588.453  174.461  818.549  133.185 -230.0959 219.4881 
1 1 1   21   14   19 o  1091.21  115.522   19.212   3.8872   17.286   4.5375   24.526   7.5359  1025.53  145.371  1199.29  208.229 -173.7543 253.9527 
1 1 1   21   14   21 o  428.298  143.761   2.8132   2.2748   0.7479   2.8994   6.1199   3.6687  370.603  153.295  604.265  180.249 -233.6622 236.6199 
1 1 1   21   14   23 o  401.482  142.061   2.3222   2.2318   1.3337   3.1040   3.3803   3.2113  399.178  161.047  479.448  170.325 -80.26968 234.4073 
1 1 1   21   14   25 o  787.751  119.805   10.231   2.8620   12.006   4.2404   8.7452   3.8787  837.059  167.630  710.034  175.470 127.0250 242.6716 
1 1 1   21   14   27 o  373.286  139.802   1.8376   2.2055   0.8738   3.0490   2.8955   3.1943  376.088  156.514  452.478  168.484 -76.38977 229.9643 
1 1 1   21   14   29 o  659.010  133.413   7.4837   2.6586   7.1339   3.7904   7.8225   3.7299  625.981  182.295  656.073  177.332 -30.09210 254.3188 
1 1 1   21   14   31 f  1162.56  105.102   22.452   3.7846   20.308   5.7645   24.076   5.0174  1048.54  182.184  1180.29  138.387 -131.7474 228.7841 
1 1 1   21   14   33 o  662.164  170.895   8.3393   3.5673   7.9636   3.9154   10.174   8.6536  638.197  185.111  668.252  269.148 -30.05463 326.6596 
1 1 1   21   14   35 o  229.199  108.565  -2.0299   2.0783  -1.1770   3.1556  -2.6833   2.7619  311.191  142.727  260.525  123.912 50.66589 189.0109 
1 1 1   21   14   37 o  449.094  151.778   3.8204   2.5358   6.2348   3.6907   1.6614   3.4900  544.973  183.113  387.167  164.641 157.8056 246.2458 
1 1 1   21   14   39 o  341.816  149.744   0.8133   3.0614   0.0000   0.0000   0.8133   3.0614  ?   ?   341.816  149.744 0.000000 149.7438 
1 1 1   21   15    0 o  890.886  149.672   13.023   4.0272   10.135   5.7122   15.878   5.6785  775.588  223.188  973.670  193.075 -198.0825 295.1113 
1 1 1   21   15    2 o  1181.65  103.752   22.256   3.8000   16.309   6.7863   24.972   4.5865  978.202  226.088  1248.92  118.708 -270.7198 255.3572 
1 1 1   21   15    4 o  684.412  114.220   7.6200   2.3615   1.8635   3.1969   14.534   3.5036  426.333  166.141  949.460  120.565 -523.1271 205.2774 
1 1 1   21   15    6 o  934.795   94.248   13.939   2.7211   14.584   3.7123   13.189   4.0001  949.244  128.172  897.113  147.530 52.13177 195.4308 
1 1 1   21   15    8 o  830.261   99.998   11.056   2.5474   11.925   3.4475   10.011   3.7807  855.411  133.031  775.807  160.909 79.60370 208.7800 
1 1 1   21   15   10 o  519.035  130.231   4.4606   2.1131   1.2213   2.8287   8.5503   3.1784  385.443  154.361  718.385  146.269 -332.9421 212.6544 
1 1 1   21   15   12 o  389.207  136.109   2.1666   2.0444  -0.0254   2.8139   4.6170   2.9752  343.453  146.986  533.375  163.045 -189.9221 219.5191 
1 1 1   21   15   14 o  709.865  144.167   8.3616   3.0951   10.159   3.5504   2.6709   6.3176  782.695  150.330  563.844  228.958 218.8514 273.8996 
1 1 1   21   15   16 o  521.945  170.620   4.2960   3.2101   4.2960   3.2101   0.0000   0.0000  521.945  170.620  ?   ?  0.000000 170.6199 
1 1 1   21   15   18 o  792.137  191.102   10.690   4.6854   10.690   4.6854   0.0000   0.0000  792.137  191.102  ?   ?  0.000000 191.1019 
1 1 1   21   15   20 o  323.933  133.125   0.5985   2.1681  -0.4400   3.0327   1.6840   3.1007  343.362  149.766  413.034  162.831 -69.67093 221.2323 
1 1 1   21   15   22 o  734.727  138.374   8.9842   3.0666   5.7041   4.1326   13.004   4.5749  591.536  193.599  876.086  172.908 -284.5497 259.5718 
1 1 1   21   15   24 o  270.617  119.564  -0.5289   1.9903   0.1382   2.7462  -1.2672   2.8887  340.840  145.519  311.247  140.301 29.59290 202.1391 
1 1 1   21   15   26 o  1011.37  108.336   16.698   3.3774   15.867   5.1174   17.339   4.4956  954.243  177.810  1014.78  145.657 -60.53687 229.8528 
1 1 1   21   15   28 o  473.290  144.400   3.8191   2.3351   2.0872   3.1490   5.9349   3.4806  417.795  164.289  578.586  176.242 -160.7915 240.9401 
1 1 1   21   15   30 o  396.635  142.799   2.4071   2.2644   2.6158   3.1352   2.1796   3.2740  431.531  165.509  420.550  166.833 10.98148 235.0032 
1 1 1   21   15   32 o  1065.51  132.627   19.645   4.3292   21.987   4.8169   9.8057   9.8731  1121.87  140.183  678.592  281.962 443.2796 314.8866 
1 1 1   21   15   34 o  449.638  147.909   3.6113   2.4110   4.8541   3.3081   2.2031   3.5212  509.544  173.353  417.046  170.321 92.49771 243.0235 
1 1 1   21   15   36 o  298.160  127.002   0.4829   2.0830  -1.0021   2.6146   3.0631   3.4464  285.336  130.518  434.877  171.595 -149.5414 215.5913 
1 1 1   21   15   38 o  719.429  147.171   9.9299   3.2036   6.7157   4.5718   13.031   4.4904  546.096  201.916  784.590  185.669 -238.4942 274.3046 
1 1 1   21   16    1 o  540.919  183.503   4.4159   3.7067   5.8151   4.7263   2.1801   5.9745  614.888  207.216  545.409  222.199 69.47974 303.8271 
1 1 1   21   16    3 o  498.808  179.114   3.4389   3.5603   5.0872   4.7039   1.2281   5.4476  589.031  206.434  503.351  209.320 85.67911 293.9897 
1 1 1   21   16    5 o  660.873  188.987   7.2423   4.1075   7.2670   5.6743   7.2151   5.9536  679.900  227.059  682.852  232.556 -2.951721 325.0202 
1 1 1   21   16    7 o  597.367  160.611   5.9194   3.0692   5.5259   3.4790   7.3010   6.5186  582.520  175.927  694.651  243.037 -112.1303 300.0288 
1 1 1   21   16    9 o  536.287  156.197   4.7068   2.7827   6.1319   3.1972   0.2550   5.6509  607.490  164.174  488.592  208.676 118.8980 265.5161 
1 1 1   21   16   11 o  918.170  186.561   14.127   5.1807   14.127   5.1807   0.0000   0.0000  918.170  186.561  ?   ?  0.000000 186.5610 
1 1 1   21   16   13 o  819.784  181.761   11.297   4.5433   11.297   4.5433   0.0000   0.0000  819.784  181.761  ?   ?  0.000000 181.7609 
1 1 1   21   16   15 o  728.118  169.123   8.8959   3.7821   10.528   4.5046   4.9958   6.9628  789.706  185.349  639.003  246.253 150.7025 308.2119 
1 1 1   21   16   17 o  582.821  176.845   5.5743   3.5094   9.9120   4.0434  -7.6712   7.0656  767.748  172.412  422.250  200.056 345.4976 264.0988 
1 1 1   21   16   19 o  1121.07  119.943   20.270   4.1451   19.949   4.7059   21.381   8.7550  1106.61  138.869  1100.77  258.427 5.837646 293.3753 
1 1 1   21   16   21 o  333.906  144.837  -0.2756   2.8040   1.5082   3.0362 -10.6183   7.3109  403.280  160.447  398.268  192.537 5.011993 250.6267 
1 1 1   21   16   23 o  818.664  164.266   11.396   4.0644   11.396   4.0644   0.0000   0.0000  818.664  164.266  ?   ?  0.000000 164.2659 
1 1 1   21   16   25 o  402.078  161.125   1.5589   3.0842   0.4283   3.3806   7.1729   7.5329  380.950  162.019  674.175  257.030 -293.2251 303.8337 
1 1 1   21   16   27 o  372.730  152.033   1.1695   2.8013   1.2446   3.0061   0.6741   7.7216  384.723  157.274  535.605  236.130 -150.8819 283.7115 
1 1 1   21   16   29 o  747.550  160.033   9.9182   3.6329   10.673   3.9628   5.9399   9.0949  771.454  168.745  639.314  268.498 132.1402 317.1213 
1 1 1   21   16   31 o  496.818  170.266   4.2881   3.1916   4.5066   3.4672   3.0755   8.1676  508.845  177.294  559.893  244.952 -51.04779 302.3817 
1 1 1   21   16   33 o  444.085  171.911   2.9818   3.4053   2.9818   3.4053   0.0000   0.0000  444.085  171.911  ?   ?  0.000000 171.9106 
1 1 1   21   16   35 o  174.607   87.113  -4.7481   1.9320  -4.7481   1.9320   0.0000   0.0000  174.607   87.113  ?   ?  0.000000 87.11255 
1 1 1   21   16   37 o  788.136  176.426   12.464   4.2454   12.464   4.2454   0.0000   0.0000  788.136  176.426  ?   ?  0.000000 176.4262 
1 1 1   21   17    0 o  311.569  133.736  -0.1229   2.3419   0.4996   2.6013  -2.7845   5.3792  348.771  144.809  419.807  190.140 -71.03619 239.0042 
1 1 1   21   17    2 o  1741.64  123.065   48.318   6.6681   56.507   9.0038   38.371   9.9235  1875.23  154.722  1523.70  213.883 351.5254 263.9785 
1 1 1   21   17    4 o  507.434  215.307   0.5166   5.9456   0.0000   0.0000   0.5166   5.9456  ?   ?   507.434  215.307 0.000000 215.3066 
1 1 1   21   17    6 o  482.235  207.513  -0.1305   5.6642   0.0000   0.0000  -0.1305   5.6642  ?   ?   482.235  207.513 0.000000 207.5126 
1 1 1   21   17    8 o  881.681  247.480   13.231   7.1118   0.0000   0.0000   13.231   7.1118  ?   ?   881.681  247.480 0.000000 247.4798 
1 1 1   21   17   10 f  1631.09  155.676   42.959   7.8544   42.959   7.8544   0.0000   0.0000  1631.09  155.676  ?   ?  0.000000 155.6763 
1 1 1   21   17   12 o  574.873  166.447   5.4321   3.1682   7.9421   3.6525  -2.1943   6.3668  689.264  170.240  471.762  210.809 217.5025 270.9653 
1 1 1   21   17   14 o  1143.73  119.336   20.992   4.2108   23.618   4.9092   13.683   8.1910  1210.83  131.602  894.248  269.914 316.5800 300.2876 
1 1 1   21   17   16 o  420.077  162.120   1.9229   3.0213   2.8899   3.3361  -2.4868   7.1240  468.936  172.646  495.521  222.097 -26.58487 281.3071 
1 1 1   21   17   18 o  480.871  169.043   3.3622   3.1554   2.6647   3.4687   6.7082   7.5970  464.296  175.038  693.179  259.491 -228.8827 313.0078 
1 1 1   21   17   20 o  299.368  136.441  -1.6758   2.8245   0.7091   3.0460 -16.3087   7.5452  377.542  156.722  361.329  178.885 16.21356 237.8266 
1 1 1   21   17   22 f  653.762  179.639   7.3355   3.7907   5.4404   4.2901   14.084   8.0955  581.688  197.415  878.776  269.004 -297.0884 333.6705 
1 1 1   21   17   24 o  309.359  138.223  -0.9236   2.7363  -0.9236   2.7363   0.0000   0.0000  309.359  138.223  ?   ?  0.000000 138.2225 
1 1 1   21   17   26 f  620.024  171.484   6.7582   3.4412   5.3734   3.7304   14.666   8.9146  561.271  183.949  858.219  284.512 -296.9474 338.7983 
1 1 1   21   17   28 o  506.356  186.478   3.9978   3.8925   3.9978   3.8925   0.0000   0.0000  506.356  186.478  ?   ?  0.000000 186.4781 
1 1 1   21   17   30 o  359.581  154.220   0.4149   3.1097   0.4149   3.1097   0.0000   0.0000  359.581  154.220  ?   ?  0.000000 154.2199 
1 1 1   21   17   32 o  1011.15  179.535   18.889   5.4761   18.889   5.4761   0.0000   0.0000  1011.15  179.535  ?   ?  0.000000 179.5349 
1 1 1   21   17   34 o  426.899  169.019   2.5681   3.3542   2.5681   3.3542   0.0000   0.0000  426.899  169.019  ?   ?  0.000000 169.0191 
1 1 1   21   17   36 o  319.117  139.851   0.1272   2.6724  -4.0495   2.8301   34.499   8.1187  242.837  117.971  1296.15  207.004 -1053.312 238.2600 
1 1 1   21   18    1 o  574.775  186.534   5.1685   3.8394   10.573   4.5168  -8.9084   7.2894  796.077  184.760  421.653  200.762 374.4239 272.8401 
1 1 1   21   18    3 o  1079.10  136.268   18.774   4.5018   14.761   5.6914   25.481   7.3576  939.791  199.573  1243.73  195.366 -303.9368 279.2799 
1 1 1   21   18    5 o  315.181  142.943  -1.7204   3.0521  -0.4068   3.5886  -5.1545   5.8024  378.649  164.048  402.759  187.780 -24.10934 249.3449 
1 1 1   21   18    7 o  529.568  215.270   2.0554   5.5921   2.0554   5.5921   0.0000   0.0000  529.568  215.270  ?   ?  0.000000 215.2695 
1 1 1   21   18    9 o  954.134  181.559   15.097   5.2261   18.643   7.4220   11.610   7.3601  1048.80  232.139  834.765  256.656 214.0385 346.0644 
1 1 1   21   18   11 o  401.822  179.866  -1.8468   4.6562   2.7305   7.0178  -5.4464   6.2233  592.777  241.081  417.152  194.484 175.6251 309.7481 
1 1 1   21   18   13 o  694.357  157.026   8.0160   3.3341   11.498   3.7273  -5.9209   7.4571  836.873  147.637  461.941  214.537 374.9323 260.4281 
1 1 1   21   18   15 o  661.352  154.256   7.2868   3.1358   6.8611   3.4619   9.2323   7.4007  641.105  169.770  761.539  259.284 -120.4343 309.9193 
1 1 1   21   18   17 o  819.361  169.861   11.242   4.2149   14.233   4.8437   1.9157   8.5544  923.209  173.937  617.083  259.843 306.1257 312.6859 
1 1 1   21   18   19 o  995.782  154.997   16.407   4.6757   17.833   5.4707   12.542   9.0060  1031.69  175.641  852.911  286.048 178.7768 335.6680 
1 1 1   21   18   21 o  963.449  188.505   15.916   5.4832   15.916   5.4832   0.0000   0.0000  963.449  188.505  ?   ?  0.000000 188.5055 
1 1 1   21   18   23 o  494.265  181.913   3.4882   3.7035   3.4882   3.7035   0.0000   0.0000  494.265  181.913  ?   ?  0.000000 181.9125 
1 1 1   21   18   25 o  819.228  196.455   12.000   4.9744   12.000   4.9744   0.0000   0.0000  819.228  196.455  ?   ?  0.000000 196.4549 
1 1 1   21   18   27 o  361.280  157.598  -0.1515   3.3589  -0.1515   3.3589   0.0000   0.0000  361.280  157.598  ?   ?  0.000000 157.5975 
1 1 1   21   18   29 o  415.807  170.352   1.6199   3.5365   1.6199   3.5365   0.0000   0.0000  415.807  170.352  ?   ?  0.000000 170.3525 
1 1 1   21   18   31 o  296.918  136.187  -1.5404   2.8735  -1.0981   3.0256  -5.6112   9.1785  315.626  142.810  477.776  226.843 -162.1499 268.0531 
1 1 1   21   18   33 o  540.563  182.160   5.3657   3.6525   5.5264   3.9376   4.3748   9.7755  547.817  189.047  594.595  263.727 -46.77728 324.4858 
1 1 1   21   18   35 o  330.396  143.972   0.2051   2.7966  -0.5727   3.0052   5.2308   7.6390  320.566  143.926  562.946  241.583 -242.3804 281.2065 
1 1 1   21   19    0 o  1018.68  127.044   16.675   3.9643   19.083   4.6201   9.9549   7.7190  1088.29  138.735  794.271  264.816 294.0161 298.9561 
1 1 1   21   19    2 o  1492.45  107.578   35.335   4.9937   38.447   5.9324   27.771   9.2501  1554.10  122.912  1288.02  238.126 266.0791 267.9766 
1 1 1   21   19    4 o  1257.54  115.533   25.199   4.4984   29.405   5.3117   14.532   8.4593  1357.05  126.460  928.779  272.865 428.2687 300.7442 
1 1 1   21   19    6 o  1378.74  115.166   30.252   4.9264   33.970   5.7336   19.766   9.6292  1459.17  126.748  1073.30  282.622 385.8652 309.7420 
1 1 1   21   19    8 o  1038.76  140.302   17.440   4.4467   17.440   4.4467   0.0000   0.0000  1038.76  140.302  ?   ?  0.000000 140.3024 
1 1 1   21   19   10 o  947.863  205.628   15.064   5.9275   18.560   8.0796   10.990   8.7227  1043.17  250.508  831.922  281.500 211.2514 376.8241 
1 1 1   21   19   12 f  804.739  228.331   10.896   6.0201   4.1645   8.2894   18.408   8.7572  660.459  264.333  1033.23  268.296 -372.7748 376.6360 
1 1 1   21   19   14 o  408.229  187.780  -3.7968   5.5169  -8.6662   7.5516   1.7771   8.0793  432.793  205.566  604.391  253.408 -171.5988 326.3015 
1 1 1   21   19   16 o  621.691  183.451   6.4111   3.8163   6.4111   3.8163   0.0000   0.0000  621.691  183.451  ?   ?  0.000000 183.4511 
1 1 1   21   19   18 o  604.262  182.809   6.0676   3.7541   6.0676   3.7541   0.0000   0.0000  604.262  182.809  ?   ?  0.000000 182.8088 
1 1 1   21   19   20 o  591.377  181.954   5.8423   3.6984   5.8423   3.6984   0.0000   0.0000  591.377  181.954  ?   ?  0.000000 181.9542 
1 1 1   21   19   22 o  600.992  200.546   5.9695   4.4266   5.9695   4.4266   0.0000   0.0000  600.992  200.546  ?   ?  0.000000 200.5464 
1 1 1   21   19   24 o  633.271  174.369   6.9699   3.5673   2.7745   3.8376   33.637   9.6753  472.066  182.567  1363.96  235.024 -891.8915 297.6018 
1 1 1   21   19   26 o  893.557  167.652   13.850   4.5185   14.230   5.1596   12.599   9.3595  894.466  190.081  808.956  290.418 85.50977 347.0930 
1 1 1   21   19   28 o  948.297  161.575   15.622   4.6257   15.623   5.2763   15.618   9.6159  933.417  187.042  864.047  295.546 69.37000 349.7601 
1 1 1   21   19   30 o  496.618  176.277   4.0481   3.4389   6.1325   3.6726 -10.7848   9.7970  583.770  181.601  455.025  220.692 128.7452 285.8042 
1 1 1   21   19   32 o  706.139  187.539   9.3906   4.2166   9.3906   4.2166   0.0000   0.0000  706.139  187.539  ?   ?  0.000000 187.5388 
1 1 1   21   19   34 o  355.290  156.401  -0.0012   3.3754  -0.0012   3.3754   0.0000   0.0000  355.290  156.401  ?   ?  0.000000 156.4012 
1 1 1   21   20    1 o  457.577  176.077   2.2559   3.5558   2.2559   3.5558   0.0000   0.0000  457.577  176.077  ?   ?  0.000000 176.0775 
1 1 1   21   20    3 o  406.281  167.989   0.7730   3.4800   2.9275   3.7877 -10.8946   8.8144  489.846  183.256  462.374  220.320 27.47192 286.5720 
1 1 1   21   20    5 o  589.609  202.975   5.1381   4.5379   5.1381   4.5379   0.0000   0.0000  589.609  202.975  ?   ?  0.000000 202.9754 
1 1 1   21   20    7 o  836.167  153.335   11.462   3.8667   10.592   4.2214   15.997   9.6368  799.209  173.652  973.575  292.524 -174.3666 340.1845 
1 1 1   21   20    9 o  1018.53  179.097   17.093   5.5034   17.093   5.5034   0.0000   0.0000  1018.53  179.097  ?   ?  0.000000 179.0973 
1 1 1   21   20   11 o  494.442  175.775   3.4297   3.4206   3.4297   3.4206   0.0000   0.0000  494.442  175.775  ?   ?  0.000000 175.7747 
1 1 1   21   20   13 o  347.373  147.402   0.1387   2.7870   0.1387   2.7870   0.0000   0.0000  347.373  147.402  ?   ?  0.000000 147.4022 
1 1 1   21   20   17 o  713.317  285.323   5.8588   9.6519   5.8588   9.6519   0.0000   0.0000  713.317  285.323  ?   ?  0.000000 285.3226 
1 1 1   21   20   19 o  699.987  177.445   8.3716   3.8945   11.084   4.3107  -3.6762   9.0853  806.832  175.612  538.716  245.208 268.1161 301.6064 
1 1 1   21   20   21 o  386.161  154.806   1.3237   2.8482   0.9106   3.0158   4.7342   8.6656  380.394  156.747  656.572  267.558 -276.1776 310.0918 
1 1 1   21   20   23 o  326.848  141.458  -0.1474   2.6628  -1.0163   2.7922   8.5781   8.8479  311.004  139.244  732.640  278.745 -421.6354 311.5894 
1 1 1   21   20   25 o  574.077  186.143   5.5824   3.8239   5.5824   3.8239   0.0000   0.0000  574.077  186.143  ?   ?  0.000000 186.1427 
1 1 1   21   20   27 o  864.392  158.515   12.881   4.1323   13.922   4.5976   8.5066   9.4267  893.379  170.574  716.933  283.507 176.4456 330.8648 
1 1 1   21   20   29 o  400.176  164.520   1.3450   3.3128   1.7511   3.5119  -1.9339   9.9796  420.784  170.763  552.701  253.614 -131.9175 305.7450 
1 1 1   21   20   31 o  495.828  175.805   4.0650   3.4197   4.0978   3.6235   3.7976   10.342  500.592  180.587  621.008  273.555 -120.4152 327.7865 
1 1 1   21   21    0 o  1246.81  148.183   24.987   5.6719   24.987   5.6719   0.0000   0.0000  1246.81  148.183  ?   ?  0.000000 148.1832 
1 1 1   21   21    2 o  876.696  181.235   12.707   4.8108   12.707   4.8108   0.0000   0.0000  876.696  181.235  ?   ?  0.000000 181.2348 
1 1 1   21   21    4 o  916.352  169.109   13.792   4.6735   13.792   4.6735   0.0000   0.0000  916.352  169.109  ?   ?  0.000000 169.1093 
1 1 1   21   21    6 o  375.664  160.284   0.0000   3.3278   0.0000   3.3278   0.0000   0.0000  375.664  160.284  ?   ?  0.000000 160.2842 
1 1 1   21   21    8 o  1053.66  156.032   18.066   4.9923   18.066   4.9923   0.0000   0.0000  1053.66  156.032  ?   ?  0.000000 156.0320 
1 1 1   21   21   10 o  439.406  171.472   1.9541   3.4089   3.8540   3.6559 -10.6951   9.4331  517.699  181.960  483.847  229.797 33.85141 293.1146 
1 1 1   21   21   12 o  691.181  172.542   7.9986   3.7226   8.7025   4.0427   4.0745   9.5457  720.084  179.835  688.029  280.646 32.05566 333.3206 
1 1 1   21   21   14 o  483.414  169.343   3.4034   3.1653   2.2195   3.3765   11.988   9.0918  445.363  171.524  849.260  287.393 -403.8969 334.6870 
1 1 1   21   21   16 o  680.007  173.738   7.8161   3.7129   7.8161   3.7129   0.0000   0.0000  680.007  173.738  ?   ?  0.000000 173.7385 
1 1 1   21   21   18 o  553.086  230.356   1.9928   6.6121   3.2063   9.7454   0.9577   9.0006  662.958  278.155  605.748  261.120 57.20923 381.5156 
1 1 1   21   21   20 o  413.308  201.241 -13.1839   8.3623   0.0000   0.0000 -13.1839   8.3623  ?   ?   413.308  201.241 0.000000 201.2410 
1 1 1   21   21   22 o  270.529  124.647  -1.7537   2.4446  -1.7816   2.5436  -1.4166   8.8473  276.772  127.383  555.809  248.426 -279.0364 279.1806 
1 1 1   21   21   24 o  328.795  143.935  -0.4067   2.8239  -0.5438   2.9544   1.0422   9.6051  332.737  146.402  606.693  265.526 -273.9563 303.2120 
1 1 1   21   21   26 o  725.830  188.535   9.3444   4.3234   9.3444   4.3234   0.0000   0.0000  725.830  188.535  ?   ?  0.000000 188.5345 
1 1 1   21   21   28 f  465.369  183.874   2.5827   3.9622   2.5827   3.9622   0.0000   0.0000  465.369  183.874  ?   ?  0.000000 183.8739 
1 1 1   21   21   30 o  414.997  170.366   1.5429   3.5460   1.8459   3.7570  -0.9288   10.732  432.051  176.131  578.519  264.552 -146.4674 317.8203 
1 1 1   21   22    1 o  1175.95  153.775   22.324   5.5267   22.324   5.5267   0.0000   0.0000  1175.95  153.775  ?   ?  0.000000 153.7745 
1 1 1   21   22    3 o  868.271  203.999   12.598   5.4522   12.598   5.4522   0.0000   0.0000  868.271  203.999  ?   ?  0.000000 203.9995 
1 1 1   21   22    5 o  423.980  176.499   0.7193   3.8790   2.4653   4.1989  -9.4488   10.133  489.356  190.488  522.915  245.209 -33.55878 310.5046 
1 1 1   21   22    7 o  808.979  171.816   10.867   4.2179   10.065   4.6257   14.822   10.274  775.483  191.607  943.175  305.044 -167.6920 360.2296 
1 1 1   21   22    9 o  796.800  168.739   10.559   4.0789   10.462   4.4773   11.033   9.8922  790.275  184.316  844.698  299.063 -54.42389 351.2995 
1 1 1   21   22   11 o  509.499  179.584   3.7385   3.5632   4.9676   3.8333  -4.0722   9.6633  564.368  186.542  563.926  255.182 0.4422607 316.0945 
1 1 1   21   22   13 o  771.370  178.179   10.016   4.2169   12.078   4.6630   0.7578   9.8803  847.620  181.182  636.717  274.029 210.9037 328.5096 
1 1 1   21   22   15 o  583.311  176.305   5.6044   3.4930   4.2442   3.7602   14.167   9.4344  532.057  184.674  903.250  292.329 -371.1927 345.7757 
1 1 1   21   22   17 o  828.478  159.551   11.478   3.9889   9.6877   4.3502   20.929   9.9965  753.857  185.543  1073.36  290.392 -319.5005 344.6071 
1 1 1   21   22   19 o  424.232  164.255   2.0105   3.1092   1.8801   3.2951   3.0687   9.3878  427.409  168.061  650.224  272.918 -222.8146 320.5135 
1 1 1   21   22   21 o  613.887  245.851   4.2483   7.1757   1.0262   11.163   6.5172   9.3675  656.004  286.701  708.789  281.876 -52.78479 402.0593 
1 1 1   21   22   23 o  839.165  301.706   12.555   10.105   0.0000   0.0000   12.555   10.105  ?   ?   839.165  301.706 0.000000 301.7059 
1 1 1   21   22   25 o  318.567  140.393  -0.5613   2.7271  -0.9393   2.8429   3.7988   9.6550  315.727  140.991  650.809  275.156 -335.0813 309.1751 
1 1 1   21   22   27 o  244.682  117.589  -3.6422   2.6293  -3.6422   2.6293   0.0000   0.0000  244.682  117.589  ?   ?  0.000000 117.5885 
1 1 1   21   23    0 o  1002.05  249.124   16.997   7.7833   15.727   10.358   18.644   11.796  971.578  305.428  1049.77  325.278 -78.18878 446.1974 
1 1 1   21   23    2 o  464.209  186.754   1.6777   4.1612   1.8797   4.5128   0.5308   10.753  484.604  194.652  669.255  286.896 -184.6507 346.6966 
1 1 1   21   23    4 o  576.229  199.645   4.8876   4.3936   5.4418   4.8215   2.1751   10.667  605.437  209.178  691.291  290.576 -85.85394 358.0360 
1 1 1   21   23    6 o  501.796  181.523   3.4163   3.6648   2.2881   3.9180   11.309   10.363  471.915  183.922  860.158  305.927 -388.2431 356.9574 
1 1 1   21   23    8 o  851.128  191.305   12.152   4.9744   12.152   4.9744   0.0000   0.0000  851.128  191.305  ?   ?  0.000000 191.3046 
1 1 1   21   23   10 o  351.840  154.942  -0.8238   3.3156   1.3865   3.5182 -18.3710   9.9130  424.910  171.447  435.825  213.670 -10.91418 273.9506 
1 1 1   21   23   12 o  588.705  185.564   5.5936   3.8207   6.8551   4.1268  -1.9769   10.109  643.444  190.997  604.515  268.157 38.92926 329.2238 
1 1 1   21   23   14 o  468.321  175.834   2.7392   3.4932   3.4471   3.7437  -2.0264   9.7135  502.478  183.205  589.349  262.074 -86.87143 319.7605 
1 1 1   21   23   16 o  632.713  186.424   6.6871   3.9436   6.9725   4.3029   5.1893   9.8580  646.846  195.718  707.486  286.453 -60.64001 346.9302 
1 1 1   21   23   18 o  555.357  178.398   4.9823   3.5185   5.7290   3.7629  -0.2130   9.9258  589.919  183.870  615.546  269.648 -25.62726 326.3708 
1 1 1   21   23   20 o  615.395  177.030   6.3939   3.5943   4.4376   3.8541   19.455   9.9588  538.515  186.964  1026.52  294.491 -488.0084 348.8268 
1 1 1   21   23   22 o  463.882  175.055   2.7625   3.4716   4.2015   3.6989  -7.8763   10.058  524.214  183.094  518.056  243.367 6.158691 304.5504 
1 1 1   21   23   24 o  489.441  232.399  -9.0611   9.6370   0.0000   0.0000  -9.0611   9.6370  ?   ?   489.441  232.399 0.000000 232.3987 
1 1 1   21   23   26 o  374.208  183.693 -13.0689   7.4003  -4.5751   11.140 -19.7772   9.9003  572.541  264.603  411.794  204.055 160.7462 334.1453 
1 1 1   21   24    1 o  1066.73  244.984   19.293   8.0104   15.658   11.017   23.370   11.668  971.505  316.010  1159.84  313.708 -188.3311 445.2809 
1 1 1   21   24    3 o  609.599  248.770   2.7239   7.5048   0.0000   10.367   5.7227   10.878  648.299  279.851  757.439  302.926 -109.1394 412.4083 
1 1 1   21   24    5 o  550.901  185.324   4.6115   3.7803   3.8169   4.0356   10.303   10.801  527.855  190.555  844.815  310.704 -316.9595 364.4838 
1 1 1   21   24    7 o  389.735  167.719  -0.1895   3.7006   1.3934   3.9601 -11.0951   10.394  445.863  181.188  513.032  242.944 -67.16879 303.0693 
1 1 1   21   24    9 o  1166.64  159.289   22.187   5.6668   26.361   6.6669   11.319   10.757  1269.49  172.159  861.374  311.084 408.1138 355.5450 
1 1 1   21   24   11 o  658.711  186.195   7.2273   4.0110   7.1200   4.3395   7.8565   10.509  656.552  196.079  782.245  302.230 -125.6931 360.2634 
1 1 1   21   24   13 o  1263.88  130.074   25.728   5.0742   26.850   5.6866   21.346   11.240  1287.61  143.484  1092.72  312.677 194.8872 344.0272 
1 1 1   21   24   15 o  538.527  184.589   4.4006   3.7511   3.8294   4.0376   8.0025   10.139  524.856  190.430  771.747  297.225 -246.8907 352.9964 
1 1 1   21   24   17 o  779.453  174.225   10.254   4.1453   10.512   4.5137   8.8649   10.476  786.661  186.146  791.026  302.748 -4.364990 355.3968 
1 1 1   21   24   19 o  445.239  171.395   2.2763   3.3702   0.8618   3.5735   13.654   10.135  408.718  169.714  887.421  303.420 -478.7029 347.6588 
1 1 1   21   24   21 o  553.971  181.742   4.9363   3.6411   4.2160   3.8880   10.073   10.382  530.920  187.542  803.104  302.813 -272.1846 356.1848 
1 1 1   21   24   23 o  343.130  151.500  -0.7378   3.1902   0.2174   3.3442 -10.4011   10.637  376.815  160.723  511.037  243.093 -134.2217 291.4210 
1 1 1   21   25    0 o  942.650  278.967   15.004   8.8136   9.8868   12.738   19.704   12.208  872.775  333.880  1072.97  330.649 -200.1932 469.8988 
1 1 1   21   25    2 o  484.401  224.239  -6.1444   8.0495  -3.5925   11.257  -8.8149   11.515  625.673  279.894  574.067  266.607 51.60535 386.5488 
1 1 1   21   25    4 o  1085.03  254.262   20.085   8.4877   32.310   12.619   9.9831   11.470  1364.52  303.205  850.594  318.766 513.9264 439.9373 
1 1 1   21   25    6 o  1034.88  258.180   18.350   8.3387   15.150   11.775   21.570   11.810  961.945  327.062  1111.29  321.249 -149.3417 458.4438 
1 1 1   21   25    8 o  555.917  240.949  -0.4170   7.7483 -12.4718   11.161   10.798   10.765  525.469  249.680  852.683  310.703 -327.2146 398.5927 
1 1 1   21   25   10 o  426.332  177.217   0.8148   3.9024   2.8442   4.1719 -13.3904   11.037  498.430  190.981  512.446  244.831 -14.01605 310.5087 
1 1 1   21   25   12 o  616.178  198.084   6.0754   4.3373   8.1169   4.7407  -4.4114   10.745  697.933  204.048  593.888  268.879 104.0455 337.5375 
1 1 1   21   25   14 o  378.862  163.340  -0.2010   3.5229  -0.7159   3.7409   3.8340   10.473  377.706  165.497  704.358  291.344 -326.6527 335.0679 
1 1 1   21   25   16 o  515.750  189.492   3.5847   4.0160   6.2059   4.3314 -12.4748   10.721  618.979  197.840  506.100  241.659 112.8790 312.3137 
1 1 1   21   25   18 o  507.249  188.297   3.3996   3.9837   3.3996   3.9837   0.0000   0.0000  507.249  188.297  ?   ?  0.000000 188.2968 
1 1 1   21   25   20 o  458.665  182.359   2.0224   3.9198   2.0224   3.9198   0.0000   0.0000  458.665  182.359  ?   ?  0.000000 182.3590 
1 1 1   21   26    1 o  682.027  279.169   3.4130   9.4869   1.0465   14.336   5.2566   12.654  769.182  330.545  791.583  323.029 -22.40076 462.1771 
1 1 1   21   26    3 o  678.795  273.490   4.0498   8.9385   1.9041   12.988   5.9806   12.320  747.471  317.729  795.301  320.856 -47.82965 451.5532 
1 1 1   21   26    5 o  1068.80  268.121   19.578   8.9579   20.565   14.222   18.930   11.533  1097.79  359.138  1050.50  320.997 47.28552 481.6841 
1 1 1   21   26    7 o  729.049  280.253   6.4831   9.0019  -4.3447   13.968   14.176   11.773  691.099  310.285  941.435  326.772 -250.3351 450.6185 
1 1 1   21   26    9 o  502.179  230.386  -5.1804   8.2299 -13.4509   12.388   1.3545   11.011  555.560  263.703  684.875  291.871 -129.3148 393.3547 
1 1 1   21   26   11 o  562.265  259.596  -7.1407   10.683   0.0000   0.0000  -7.1407   10.683  ?   ?   562.265  259.596 0.000000 259.5964 
1 1 1   21   26   13 o  527.774  194.588   3.6806   4.2402   4.7264   4.6067  -2.1188   10.848  573.389  203.969  626.883  277.945 -53.49353 344.7565 
1 1 1   21   26   15 o  542.680  195.240   4.1467   4.2322   5.8521   4.5894  -5.5455   10.941  611.283  204.202  584.898  267.334 26.38501 336.4011 
1 1 1   21   26   17 f  317.650  147.142  -2.7920   3.4742  -1.6734   3.6665 -12.6252   10.871  351.425  158.271  509.664  243.355 -158.2391 290.2958 
1 1 1   21   27    0 o  668.932  277.314   2.5785   9.5191   3.5161   15.304   1.9868   12.157  826.297  347.725  730.498  308.797 95.79871 465.0465 
1 1 1   21   27    2 o  698.902  278.916   4.6443   9.2012  -1.5532   14.574   8.7522   11.865  743.641  326.224  837.786  321.822 -94.14410 458.2486 
1 1 1   21   27    4 o  568.184  265.700 -10.2589   11.757   0.0000   0.0000 -10.2589   11.757  ?   ?   568.184  265.700 0.000000 265.7000 
1 1 1   21   27    6 o  596.936  274.108  -7.1882   11.686   0.0000   0.0000  -7.1882   11.686  ?   ?   596.936  274.108 0.000000 274.1081 
1 1 1   21   27    8 o  504.810  242.355 -14.8752   11.107   0.0000   0.0000 -14.8752   11.107  ?   ?   504.810  242.355 0.000000 242.3547 
1 1 1   21   27   10 o  633.176  281.913  -2.8896   11.275   0.0000   0.0000  -2.8896   11.275  ?   ?   633.176  281.913 0.000000 281.9126 
1 1 1   21   27   12 o  501.052  240.224 -14.0253   10.830   0.0000   0.0000 -14.0253   10.830  ?   ?   501.052  240.224 0.000000 240.2239 
1 1 1   21   28    1 o  858.474  333.703   8.7129   12.872   0.0000   0.0000   8.7129   12.872  ?   ?   858.474  333.703 0.000000 333.7034 
1 1 1   21   28    3 o  491.832  238.511 -18.1656   11.432   0.0000   0.0000 -18.1656   11.432  ?   ?   491.832  238.511 0.000000 238.5108 
1 1 1   21   28    5 o  862.090  327.231   9.7158   12.176   0.0000   0.0000   9.7158   12.176  ?   ?   862.090  327.231 0.000000 327.2307 
1 1 1   21   28    7 o  495.159  231.682  -8.1769   8.9608  -6.7434   14.109  -9.1461   11.601  672.223  305.818  574.246  266.991 97.97656 405.9671 
1 1 1   21   29    0 o  536.644  246.867  -6.5417   9.5374   1.7151   14.332 -13.1050   12.778  783.488  333.417  576.116  271.768 207.3721 430.1453 
1 1 1   22    0    0 o  405.903  185.613   3.8376   2.5704   3.8376   2.5704   3.8376   2.5704  405.903  185.613  405.903  185.613 -0.000000 0.000000 
1 1 1   22    0    2 o  1075.19  152.831   19.479   4.8449   19.479   4.8449   19.479   4.8449  1075.19  152.831  1075.19  152.831 -0.000000 0.000000 
1 1 1   22    0    4 o  1784.06  153.296   51.899   8.4182   51.899   8.4182   51.899   8.4182  1784.06  153.296  1784.06  153.296 -0.000000 0.000000 
1 1 1   22    0    6 o  4008.49  150.348  257.669   18.811  257.669   18.811  257.669   18.811  4008.49  150.348  4008.49  150.348 -0.000000 0.000000 
1 1 1   22    0    8 o  621.870  162.929   7.2829   2.7412   7.2829   2.7412   7.2829   2.7412  621.870  162.929  621.870  162.929 -0.000000 0.000000 
1 1 1   22    0   10 o  587.240  166.221   6.6584   2.6472   6.6584   2.6472   6.6584   2.6472  587.240  166.221  587.240  166.221 -0.000000 0.000000 
1 1 1   22    0   12 o  135.684   95.944  -2.0452   1.6642  -2.0452   1.6642  -2.0452   1.6642  135.684   95.944  135.684   95.944 -0.000000 0.000000 
1 1 1   22    0   14 o  2358.83  118.078   89.098   8.6715   89.098   8.6715   89.098   8.6715  2358.83  118.078  2358.83  118.078 -0.000000 0.000000 
1 1 1   22    0   16 o  1676.00  108.459   45.066   5.6372   45.066   5.6372   45.066   5.6372  1676.00  108.459  1676.00  108.459 -0.000000 0.000000 
1 1 1   22    0   18 o  183.195  120.954  -0.3661   1.7933  -0.3661   1.7933  -0.3661   1.7933  183.195  120.954  183.195  120.954 -0.000000 0.000000 
1 1 1   22    0   20 o  155.302  106.830  -1.2111   1.7033  -1.2111   1.7033  -1.2111   1.7033  155.302  106.830  155.302  106.830 -0.000000 0.000000 
1 1 1   22    0   22 o  1685.93  109.599   45.516   5.7297   45.516   5.7297   45.516   5.7297  1685.93  109.599  1685.93  109.599 -0.000000 0.000000 
1 1 1   22    0   24 o  166.151  114.101  -1.3113   1.9237  -1.3113   1.9237  -1.3113   1.9237  166.151  114.101  166.151  114.101 -0.000000 0.000000 
1 1 1   22    0   26 o  1036.93  116.213   17.651   3.6517   17.651   3.6517   17.651   3.6517  1036.93  116.213  1036.93  116.213 -0.000000 0.000000 
1 1 1   22    0   28 f  1104.14  118.025   19.960   3.9629   19.960   3.9629   19.960   3.9629  1104.14  118.025  1104.14  118.025 -0.000000 0.000000 
1 1 1   22    0   30 f  802.009  144.518   11.156   3.2791   11.156   3.2791   11.156   3.2791  802.009  144.518  802.009  144.518 -0.000000 0.000000 
1 1 1   22    0   32 o  1142.31  185.868   22.592   6.1200   22.592   6.1200   22.592   6.1200  1142.31  185.868  1142.31  185.868 -0.000000 0.000000 
1 1 1   22    0   34 o  1153.25  205.173   23.602   6.7100   23.602   6.7100   23.602   6.7100  1153.25  205.173  1153.25  205.173 -0.000000 0.000000 
1 1 1   22    0   40 o  435.279  259.593   4.4053   6.2368   4.4053   6.2368   4.4053   6.2368  435.279  259.593  435.279  259.593 -0.000000 0.000000 
1 1 1   22    0   44 o  308.972  211.893  -2.8125   6.5835  -2.8125   6.5835  -2.8125   6.5835  308.972  211.893  308.972  211.893 -0.000000 0.000000 
1 1 1   22    1    1 o  1820.43   88.185   52.553   5.0267   56.965   8.5943   50.259   6.1974  1868.59  148.099  1769.90  112.409 98.68579 185.9272 
1 1 1   22    1    3 o  1489.89  103.212   35.548   4.7854   40.590   6.7914   30.576   6.7440  1578.78  138.788  1359.09  161.642 219.6854 213.0500 
1 1 1   22    1    5 o  2448.30   95.399   95.390   7.3135   91.645   12.546   97.318   9.0009  2352.43  171.507  2463.04  116.707 -110.6089 207.4498 
1 1 1   22    1    7 o  1344.78   83.214   28.799   3.4868   24.815   5.8266   31.021   4.3521  1222.10  155.805  1390.60  100.630 -168.4969 185.4765 
1 1 1   22    1    9 o  920.917   89.235   13.622   2.5409   9.9590   4.1395   15.837   3.2186  758.666  177.421  988.880  105.577 -230.2139 206.4575 
1 1 1   22    1   11 o  2024.89  113.390   66.355   7.1605   64.797   10.006   67.991   10.251  1966.54  163.997  2014.74  163.914 -48.20190 231.8680 
1 1 1   22    1   13 o  1287.24   88.636   26.590   3.5509   28.802   5.9724   25.381   4.4161  1312.58  147.890  1247.47  114.329 65.11902 186.9290 
1 1 1   22    1   15 o  993.622   91.307   15.927   2.8090   17.460   4.6441   15.043   3.5275  1016.62  150.430  955.042  120.649 61.57928 192.8358 
1 1 1   22    1   17 o  1069.80   88.578   18.404   2.9405   16.955   4.9171   19.211   3.6688  996.025  163.324  1085.82  109.398 -89.79163 196.5772 
1 1 1   22    1   19 o  361.341  139.220   1.5163   2.2251  -0.4540   2.6653   6.0490   4.0425  317.214  139.324  595.311  191.218 -278.0972 236.5913 
1 1 1   22    1   21 o  823.005  101.659   11.036   2.5641   9.4920   4.2198   11.940   3.2285  733.793  183.993  848.353  125.307 -114.5599 222.6101 
1 1 1   22    1   23 f  750.896  103.390   9.2415   2.3665   10.173   4.0452   8.7568   2.9179  761.795  173.469  720.027  134.362 41.76831 219.4193 
1 1 1   22    1   25 o  1522.27  109.931   37.797   5.2047   38.761   7.3278   36.816   7.3939  1510.93  157.187  1467.51  163.696 43.41370 226.9452 
1 1 1   22    1   27 o  654.159  119.082   7.2072   2.3493   6.3045   3.9571   7.6986   2.9196  596.292  188.941  667.157  143.981 -70.86450 237.5480 
1 1 1   22    1   29 o  817.024  108.660   11.067   2.7109   7.1195   4.5253   13.277   3.3856  625.418  202.466  888.496  125.162 -263.0773 238.0299 
1 1 1   22    1   31 o  444.822  145.197   3.3412   2.3251   2.8691   3.9654   3.5886   2.8702  464.872  183.862  465.184  161.352 -0.3114014 244.6219 
1 1 1   22    1   33 o  1161.90  125.029   23.160   4.4772   26.020   6.4169   20.447   6.2498  1181.90  178.995  1023.56  202.173 158.3379 270.0247 
1 1 1   22    1   35 o  1214.07  128.942   26.260   4.8268   27.975   7.1557   24.828   6.5382  1156.03  205.199  1098.33  197.366 57.70251 284.7101 
1 1 1   22    1   37 o  1253.10  135.016   29.520   5.2141   30.801   7.6158   28.389   7.1535  1135.28  222.194  1100.96  215.217 34.31274 309.3355 
1 1 1   22    1   39 o  215.875  108.740  -8.2965   3.3872   0.0000   0.0000  -8.2965   3.3872  ?   ?   215.875  108.740 0.000000 108.7397 
1 1 1   22    1   41 o  620.101  198.043   11.071   4.3409   0.0000   0.0000   11.071   4.3409  ?   ?   620.101  198.043 0.000000 198.0428 
1 1 1   22    1   43 o  307.304  143.311   0.6459   3.3830   4.2078   6.4301  -0.7175   3.9781  379.599  182.781  298.769  143.838 80.82910 232.5909 
1 1 1   22    1   45 o  289.865  136.932   0.7547   3.2651   1.2502   4.3949   0.1443   4.8778  310.584  149.931  303.073  148.847 7.510742 211.2691 
1 1 1   22    2    0 o  240.640  103.594  -0.0976   1.4128  -2.3911   2.1048   1.7832   1.9060  231.827  109.645  362.092  130.920 -130.2651 170.7691 
1 1 1   22    2    2 f  629.171  122.572   6.5577   2.3280   6.5907   3.2616   6.5235   3.3237  623.534  164.627  620.363  167.281 3.171387 234.7025 
1 1 1   22    2    4 o  1325.86   86.316   27.995   3.5639   29.853   5.9973   26.981   4.4313  1349.64  144.142  1294.59  110.368 55.04321 181.5436 
1 1 1   22    2    6 o  731.784   99.046   8.6834   2.2112   10.946   3.5623   7.2649   2.8203  809.167  145.965  657.388  141.225 151.7796 203.1021 
1 1 1   22    2    8 o  1025.31   86.596   16.823   2.7542   14.075   4.4830   18.488   3.4906  912.175  162.933  1069.80  105.579 -157.6254 194.1497 
1 1 1   22    2   10 o  227.454   99.657  -0.2805   1.3563   0.4875   2.0177  -0.9135   1.8319  307.971  127.674  246.238  111.294 61.73334 169.3729 
1 1 1   22    2   12 o  671.412  126.223   7.5518   2.5562   4.7387   3.2731   11.950   4.0929  533.234  172.145  834.482  162.483 -301.2483 236.7162 
1 1 1   22    2   14 o  1152.83   85.141   21.314   3.0517   25.728   5.3106   19.138   3.7288  1244.20  138.671  1082.79  111.576 161.4065 177.9853 
1 1 1   22    2   16 f  1065.39   85.541   18.221   2.8296   19.086   4.9586   17.804   3.4457  1062.91  153.426  1045.92  106.705 16.98975 186.8838 
1 1 1   22    2   18 o  728.218   94.953   8.6225   2.1136   11.422   3.6800   7.2442   2.5820  820.954  148.627  656.033  130.288 164.9207 197.6485 
1 1 1   22    2   20 o  798.175   95.400   10.335   2.3371   9.6876   3.9513   10.683   2.8984  745.985  172.584  804.348  118.643 -58.36304 209.4312 
1 1 1   22    2   22 o  735.557  103.130   8.8607   2.3100   8.9473   3.8941   8.8137   2.8694  714.429  175.370  724.245  131.367 -9.816711 219.1163 
1 1 1   22    2   24 o  398.185  130.097   2.5409   1.8664   4.5046   3.0539   1.3701   2.3581  517.418  166.201  360.286  142.011 157.1323 218.6087 
1 1 1   22    2   26 o  189.464   90.990  -2.2030   1.5684  -2.3321   2.5224  -2.1217   2.0025  260.725  122.287  227.414  107.371 33.31068 162.7350 
1 1 1   22    2   28 o  1120.05   95.277   20.395   3.3098   18.562   5.6292   21.363   4.0918  1020.19  182.937  1136.32  116.655 -116.1281 216.9657 
1 1 1   22    2   30 o  1035.01   99.185   17.554   3.1751   18.019   5.2859   17.291   3.9714  1005.28  174.238  1012.58  128.124 -7.299805 216.2742 
1 1 1   22    2   32 o  1064.85   99.044   18.725   3.2645   20.700   4.0297   14.954   5.5685  1108.40  117.917  878.487  206.007 229.9096 237.3671 
1 1 1   22    2   34 o  1140.61  103.755   21.968   3.6651   19.849   6.1556   23.132   4.5619  986.619  205.909  1148.58  129.080 -161.9597 243.0225 
1 1 1   22    2   36 f  1770.88  123.216   56.168   6.7899   62.556   9.8299   50.339   9.3898  1745.77  182.522  1529.84  200.873 215.9330 271.4113 
1 1 1   22    2   38 o  674.928  138.093   8.9416   2.8201   11.774   3.9850   6.1002   3.9914  730.200  176.288  505.288  188.298 224.9126 257.9417 
1 1 1   22    2   40 o  510.479  155.419   5.8914   2.7072   2.9692   3.9492   8.4819   3.7183  391.467  170.822  575.949  183.223 -184.4815 250.5008 
1 1 1   22    2   42 o  340.049  149.273   2.0235   3.0559  -5.4131   5.3292   5.6667   3.7300  290.794  145.015  442.044  177.175 -151.2496 228.9543 
1 1 1   22    2   44 o  429.848  190.414   8.0194   5.0803   0.0000   0.0000   8.0194   5.0803  ?   ?   429.848  190.414 0.000000 190.4141 
1 1 1   22    3    1 o  915.989  108.076   13.562   3.0401   16.497   4.3310   10.712   4.2685  1001.03  142.169  792.855  176.475 208.1781 226.6172 
1 1 1   22    3    3 o  737.203  101.863   8.8138   2.2885   14.160   3.7120   5.5354   2.9067  929.108  131.247  573.224  157.219 355.8844 204.8014 
1 1 1   22    3    5 o  3382.58  111.325  183.151   11.791  169.087   20.331  190.278   14.474  3161.46  206.515  3430.32  134.751 -268.8611 246.5893 
1 1 1   22    3    7 o  1836.23   87.737   53.581   5.0446   47.455   8.5870   56.809   6.2337  1690.38  164.309  1881.48  106.246 -191.1039 195.6671 
1 1 1   22    3    9 o  1384.28  105.262   30.881   4.5284   0.0000   0.0000   30.881   4.5284  ?   ?   1384.28  105.262 0.000000 105.2620 
1 1 1   22    3   11 o  2075.55   90.964   68.783   5.9118   67.151   10.150   69.620   7.2726  2002.65  163.289  2074.83  112.361 -72.17590 198.2126 
1 1 1   22    3   13 o  600.023  127.638   6.0734   2.3244   6.2576   3.1432   5.8510   3.4529  601.652  162.859  583.083  175.079 18.56866 239.1140 
1 1 1   22    3   15 o  511.012  110.040   4.3674   1.7087   2.1808   2.8245   5.6295   2.1459  414.137  157.510  578.496  122.290 -164.3587 199.4097 
1 1 1   22    3   17 o  927.645   89.482   13.860   2.5669   10.900   4.3620   15.429   3.1749  789.148  180.451  973.957  105.807 -184.8093 209.1830 
1 1 1   22    3   19 o  639.481  126.290   6.8589   2.4391   4.4658   3.4415   9.2742   3.4573  524.764  176.821  736.316  154.865 -211.5521 235.0504 
1 1 1   22    3   21 o  352.217  120.954   1.8655   1.6109   2.9215   2.0160   0.0003   2.6793  424.331  134.905  331.298  142.641 93.03278 196.3309 
1 1 1   22    3   23 o  1405.37   75.008   31.481   3.2888   30.922   4.6563   32.037   4.6460  1379.49  108.676  1405.34  106.367 -25.85303 152.0677 
1 1 1   22    3   25 o  1539.48   88.733   38.103   4.2592   37.872   5.2720   38.537   7.2273  1523.49  111.285  1508.80  155.191 14.68359 190.9669 
1 1 1   22    3   27 o  280.277  116.739   0.3846   1.6982   1.6230   2.2895  -1.1302   2.5321  366.154  141.179  288.533  130.589 77.62048 192.3153 
1 1 1   22    3   29 o  1717.12   90.910   47.660   4.8706   52.991   5.9616   36.959   8.4465  1800.68  106.202  1435.57  192.775 365.1141 220.0929 
1 1 1   22    3   31 o  562.520  139.782   5.5603   2.4513   5.4201   3.0603   5.8113   4.0945  550.202  164.738  568.675  192.863 -18.47296 253.6432 
1 1 1   22    3   33 o  569.967  132.719   5.7811   2.3244   5.4198   3.2756   6.1476   3.2991  539.362  172.009  571.602  171.022 -32.24030 242.5608 
1 1 1   22    3   35 o  1220.11  100.539   25.313   3.8068   25.570   4.7888   24.872   6.2749  1195.62  130.008  1110.84  187.047 84.78003 227.7907 
1 1 1   22    3   37 o  467.795  156.705   4.4585   2.7028   3.9044   3.5121   5.2632   4.2327  444.055  173.837  488.558  190.956 -44.50290 258.2314 
1 1 1   22    3   39 o  237.234  113.131  -1.9425   2.3338  -3.8721   4.7291  -1.3212   2.6834  308.832  150.582  267.560  125.696 41.27200 196.1491 
1 1 1   22    3   41 o  956.643  131.832   18.641   3.8441   19.406   5.0600   17.597   5.9115  873.104  190.445  724.940  231.066 148.1638 299.4337 
1 1 1   22    3   43 o  267.686  126.569  -0.6650   2.8012  -1.4778   6.0565  -0.4438   3.1594  325.988  161.188  282.952  133.976 43.03592 209.5977 
1 1 1   22    3   45 o  304.206  141.434   1.5153   3.2550   2.6507   6.7677   1.1736   3.7126  334.918  166.430  303.575  144.174 31.34250 220.1937 
1 1 1   22    4    0 o  623.250  111.941   6.3824   2.1043   4.8275   2.7282   8.6663   3.3063  538.058  154.070  718.211  151.773 -180.1533 216.2700 
1 1 1   22    4    2 o  1715.40   76.879   46.526   4.1295   44.016   5.8133   49.082   5.8669  1655.60  112.810  1750.60  107.550 -95.00903 155.8630 
1 1 1   22    4    4 f  1857.30   76.202   54.558   4.4317   47.048   6.2267   62.268   6.3088  1709.35  117.039  1973.66  102.436 -264.3101 155.5353 
1 1 1   22    4    6 o  915.115   91.584   13.444   2.5891   14.789   4.2435   12.646   3.2678  942.483  148.724  878.864  122.037 63.61890 192.3844 
1 1 1   22    4    8 o  1327.45   90.200   28.173   3.7270   23.518   6.6355   30.319   4.5046  1172.69  186.987  1372.11  105.660 -199.4148 214.7743 
1 1 1   22    4   10 o  910.022   77.510   13.235   2.1876   14.731   3.1786   11.888   3.0153  951.598  108.624  851.245  116.156 100.3536 159.0328 
1 1 1   22    4   12 o  1023.41   77.993   16.734   2.4805   12.730   3.6039   20.339   3.4193  873.070  136.280  1122.57   98.264 -249.5021 168.0125 
1 1 1   22    4   14 o  746.935   96.140   9.0732   2.1964   8.5209   2.7491   10.048   3.6520  713.692  127.705  765.437  157.621 -51.74481 202.8617 
1 1 1   22    4   16 o  679.083  104.993   7.5727   2.1605   7.7609   2.6487   7.1983   3.7349  680.266  129.067  642.776  178.965 37.48926 220.6507 
1 1 1   22    4   18 o  485.646  104.657   3.9253   1.5446   3.2072   2.1639   4.6711   2.2053  443.403  139.637  525.395  133.714 -81.99158 193.3337 
1 1 1   22    4   20 o  785.213   84.237   9.9228   2.0388   9.5652   2.8990   10.273   2.8678  758.217  126.567  788.590  119.917 -30.37299 174.3540 
1 1 1   22    4   22 o  1110.09   88.445   19.795   3.0488   24.004   5.2939   17.707   3.7294  1199.73  143.784  1039.77  116.552 159.9645 185.0898 
1 1 1   22    4   24 o  393.122  118.189   2.5489   1.5728   0.3327   2.3562   4.3300   2.1123  321.761  135.977  504.373  132.155 -182.6117 189.6174 
1 1 1   22    4   26 o  843.239   87.210   11.507   2.2694   10.809   3.2429   12.177   3.1769  799.726  134.261  854.950  122.144 -55.22400 181.5082 
1 1 1   22    4   28 o  1329.70   90.216   28.562   3.7340   31.053   4.6613   24.102   6.2383  1377.18  108.984  1172.51  175.296 204.6639 206.4127 
1 1 1   22    4   30 o  396.801  128.008   2.5895   1.8101  -0.1301   2.5802   5.2249   2.5400  317.201  138.255  545.929  145.827 -228.7280 200.9472 
1 1 1   22    4   32 o  551.872  124.432   5.3024   2.0989   4.1662   2.9842   6.4147   2.9527  488.590  164.654  594.602  156.469 -106.0115 227.1419 
1 1 1   22    4   34 o  271.294  119.956  -0.2417   2.0071   0.9342   2.7441  -1.5945   2.9434  347.722  146.834  292.725  135.540 54.99655 199.8282 
1 1 1   22    4   36 o  726.021  116.911   9.4509   2.5676   8.3540   3.5956   10.592   3.6676  631.102  175.555  725.617  165.135 -94.51520 241.0163 
1 1 1   22    4   38 o  704.966  141.948   9.8339   3.0250   12.104   3.9080   6.4402   4.7779  749.451  170.387  506.217  201.311 243.2337 263.7388 
1 1 1   22    4   40 o  538.574  225.683   10.598   6.4022   10.598   6.4022   0.0000   0.0000  538.574  225.683  ?   ?  0.000000 225.6832 
1 1 1   22    4   42 f  460.830  167.425   5.6401   3.1226   3.0058   4.4113   8.2855   4.4206  375.150  170.799  502.525  195.497 -127.3743 259.5985 
1 1 1   22    4   44 o  336.586  148.759   2.5412   3.0834   2.7782   4.6925   2.3612   4.0903  347.362  164.113  338.219  157.680 9.142761 227.5871 
1 1 1   22    5    1 o  2377.83   95.168   89.836   7.0858   92.142   8.7020   85.300   12.207  2399.71  115.809  2273.57  172.755 126.1396 207.9807 
1 1 1   22    5    3 o  428.937  113.338   3.0489   1.5451   2.1364   2.1809   3.9684   2.1893  390.930  140.206  488.602  137.370 -97.67230 196.2859 
1 1 1   22    5    5 o  1716.82   75.342   46.624   4.0502   42.736   5.7028   50.582   5.7533  1629.88  112.430  1777.18  103.839 -147.3051 153.0455 
1 1 1   22    5    7 o  689.594  134.561   7.9524   2.8013   0.0000   0.0000   7.9524   2.8013  ?   ?   689.594  134.561 0.000000 134.5613 
1 1 1   22    5    9 o  699.956   83.552   7.8927   1.7951   7.5402   2.6632   8.1862   2.4300  670.866  131.479  704.953  113.975 -34.08704 174.0029 
1 1 1   22    5   11 o  685.540   89.920   7.6175   1.8837   9.0937   2.7007   6.2192   2.6286  741.039  120.534  604.878  141.330 136.1603 185.7487 
1 1 1   22    5   13 f  528.169  103.323   4.6243   1.6476   5.4187   2.3889   3.9037   2.2753  564.960  136.555  482.529  141.443 82.43164 196.6045 
1 1 1   22    5   15 o  1283.68   87.617   26.381   3.5007   27.536   4.3137   24.154   5.9913  1304.84  106.508  1195.54  164.395 109.3026 195.8817 
1 1 1   22    5   17 o  1263.23   85.883   25.511   3.3769   23.312   5.7179   26.690   4.1847  1178.23  159.048  1285.80  104.850 -107.5684 190.4991 
1 1 1   22    5   19 o  350.596  117.195   1.8878   1.5117   2.1573   2.1453   1.6221   2.1304  388.551  139.089  362.437  137.047 26.11365 195.2630 
1 1 1   22    5   21 o  424.128  119.574   2.9950   1.6565   5.5678   2.2507  -0.0455   2.4467  574.532  128.346  316.184  136.221 258.3479 187.1596 
1 1 1   22    5   23 o  1186.30   78.334   22.483   2.8934   22.118   4.0399   22.868   4.1459  1164.50  112.182  1183.81  113.228 -19.31030 159.3907 
1 1 1   22    5   25 o  439.729  119.988   3.2576   1.6981   5.8175   2.4789   0.9943   2.3309  582.754  137.984  344.037  139.292 238.7172 196.0663 
1 1 1   22    5   27 o  518.148  129.556   4.5911   2.0964   6.1926   3.3940   3.6031   2.6658  593.159  172.429  468.487  155.596 124.6721 232.2535 
1 1 1   22    5   29 o  744.997  102.481   9.1575   2.3274   8.5056   3.2973   9.8049   3.2855  696.422  155.175  753.882  144.440 -57.46008 211.9958 
1 1 1   22    5   31 o  408.585  135.465   2.7524   2.0209   4.2323   2.7820   1.0990   2.9406  493.376  158.647  372.085  154.182 121.2903 221.2265 
1 1 1   22    5   33 o  906.457  133.830   14.421   3.6843   13.976   6.0849   14.678   4.6294  808.656  229.597  883.929  173.453 -75.27338 287.7509 
1 1 1   22    5   35 f  894.018  131.005   14.434   3.5585   11.220   5.2898   17.090   4.8095  698.720  218.044  933.344  170.861 -234.6243 277.0139 
1 1 1   22    5   37 o  485.450  143.981   4.6788   2.3459   10.502   3.3541  -0.8969   3.2822  726.350  152.339  310.893  143.661 415.4577 209.3930 
1 1 1   22    5   39 o  642.058  192.277   10.269   4.1687   10.269   4.1687   0.0000   0.0000  642.058  192.277  ?   ?  0.000000 192.2775 
1 1 1   22    5   41 o  770.562  138.870   12.381   3.2274   19.831   4.8533   6.4734   4.3214  913.303  176.091  470.781  189.993 442.5224 259.0471 
1 1 1   22    5   43 o  410.122  153.084   4.2837   2.6402   17.177   4.7040  -1.6454   3.1900  776.637  194.002  265.831  128.182 510.8061 232.5240 
1 1 1   22    5   45 o  381.720  162.005   4.7673   3.3675   13.668   9.1879   3.3862   3.6193  397.524  196.911  344.849  156.098 52.67496 251.2777 
1 1 1   22    6    0 o  1469.20   85.263   34.301   3.9056   35.233   4.8077   32.494   6.6973  1483.76  104.140  1406.31  154.645 77.44617 186.4405 
1 1 1   22    6    2 o  1007.64   88.589   16.225   2.7667   14.001   3.4081   20.522   4.7383  927.334  120.197  1119.50  138.097 -192.1691 183.0795 
1 1 1   22    6    4 o  383.710  116.522   2.3784   1.5231   2.4436   2.1552   2.3133   2.1528  405.097  139.858  398.398  139.653 6.699402 197.6441 
1 1 1   22    6    6 o  1785.15   87.838   50.635   4.9099   41.256   8.5684   55.220   5.9911  1568.18  177.629  1856.27  103.485 -288.0853 205.5753 
1 1 1   22    6    8 o  375.517  121.565   2.2223   1.6314   2.0336   2.5984   2.3451   2.0960  401.485  151.462  396.892  137.873 4.592865 204.8166 
1 1 1   22    6   10 o  1204.02   75.552   23.073   2.8339   19.970   4.0117   26.164   4.0039  1106.77  117.560  1274.47  101.162 -167.7090 155.0941 
1 1 1   22    6   12 o  1182.88   76.977   22.294   2.8356   22.075   4.0207   22.511   3.9997  1166.04  111.480  1178.26  109.669 -12.22668 156.3815 
1 1 1   22    6   14 o  760.731   99.437   9.4073   2.3119   9.8381   2.8424   8.5652   3.9743  771.521  121.689  701.466  180.035 70.05524 217.3037 
1 1 1   22    6   16 o  614.406   97.782   6.1712   1.8181   5.6277   2.5897   6.6995   2.5532  575.866  143.997  631.175  133.364 -55.30963 196.2678 
1 1 1   22    6   18 o  496.548  116.887   4.1265   1.7872   7.0934   2.5416   1.2243   2.5137  651.032  129.235  365.009  145.746 286.0240 194.7909 
1 1 1   22    6   20 o  1686.20   77.594   45.120   4.0969   44.050   5.7520   46.221   5.8367  1650.73  111.943  1691.62  110.803 -40.88257 157.5078 
1 1 1   22    6   22 o  512.058  124.778   4.4248   1.9823   2.4104   2.5348   7.5967   3.1807  413.664  150.762  664.746  155.568 -251.0812 216.6348 
1 1 1   22    6   24 o  1216.62   89.967   23.802   3.4030   26.029   4.2355   19.746   5.7157  1265.42  107.926  1067.89  177.143 197.5280 207.4306 
1 1 1   22    6   26 f  474.763  129.652   3.8259   1.9817   3.4487   2.5561   4.3943   3.1377  460.226  152.337  513.202  168.729 -52.97623 227.3233 
1 1 1   22    6   28 o  1251.75   91.818   25.322   3.5738   25.423   4.4967   25.149   5.8883  1242.39  116.966  1211.14  159.117 31.25000 197.4822 
1 1 1   22    6   30 f  988.736  101.197   16.052   3.0889   15.831   3.9329   16.408   4.9900  965.751  133.639  960.281  172.285 5.469666 218.0396 
1 1 1   22    6   32 o  1162.95   95.551   22.288   3.4487   22.476   4.4278   21.999   5.4987  1147.90  125.218  1104.90  163.904 42.99622 206.2627 
1 1 1   22    6   34 o  891.524  114.039   13.748   3.1105   13.733   4.1763   13.765   4.6615  852.137  162.448  833.090  183.641 19.04700 245.1805 
1 1 1   22    6   36 o  1108.67  111.251   21.636   3.8100   21.704   8.7077   21.620   4.2371  836.874  281.267  1091.44  126.314 -254.5658 308.3286 
1 1 1   22    6   38 o  574.504  170.173   7.2947   3.2786   10.862   4.1189   1.1262   5.4162  686.171  186.723  399.829  184.683 286.3423 262.6275 
1 1 1   22    6   40 o  563.229  152.028   6.9298   2.7436   8.1079   4.8460   6.3741   3.3283  522.526  204.298  509.960  173.880 12.56586 268.2756 
1 1 1   22    6   42 o  552.024  155.869   7.2228   2.8124   3.4898   4.6995   9.3058   3.5105  387.842  176.465  597.703  175.828 -209.8612 249.1090 
1 1 1   22    6   44 o  265.909  123.544   0.0039   2.4768  -5.6998   5.8278   1.2612   2.7362  285.578  143.691  302.162  136.345 -16.58466 198.0835 
1 1 1   22    7    1 o  834.547   90.750   11.177   2.3332   10.402   2.8613   12.715   4.0309  797.958  118.081  873.091  153.021 -75.13293 193.2834 
1 1 1   22    7    3 o  1174.93   85.888   22.003   3.1379   21.898   3.8749   22.203   5.3484  1166.36  107.301  1159.54  150.882 6.821899 185.1457 
1 1 1   22    7    5 f  883.476   94.682   12.560   2.5785   13.621   4.6294   12.083   3.1046  895.473  171.344  859.831  118.458 35.64264 208.3048 
1 1 1   22    7    7 o  757.090   90.840   9.2470   2.1105   11.107   2.9100   7.1832   3.0654  823.734  116.037  649.866  153.151 173.8680 192.1454 
1 1 1   22    7    9 o  402.575  140.903   2.3965   2.1911   3.2272   2.7794   1.0326   3.5615  459.296  158.810  409.202  169.631 50.09338 232.3689 
1 1 1   22    7   11 o  2157.18   81.208   73.898   5.4853   68.024   7.7555   79.778   7.7593  2048.65  121.442  2227.62  111.241 -178.9773 164.6893 
1 1 1   22    7   13 o  351.478  124.428   1.7661   1.7124  -0.5631   2.2027   5.3241   2.7223  284.836  125.817  560.061  151.550 -275.2245 196.9706 
1 1 1   22    7   15 o  1042.24   87.828   17.390   2.8396   19.225   3.5380   14.069   4.7600  1091.31  104.827  907.624  173.817 183.6846 202.9808 
1 1 1   22    7   17 o  915.019   98.075   13.507   2.7662   14.353   3.5107   12.122   4.4922  936.042  122.739  840.105  176.386 95.93695 214.8876 
1 1 1   22    7   19 o  1001.63   96.030   16.150   2.9749   17.709   3.7804   13.616   4.8213  1042.30  117.906  889.389  179.315 152.9097 214.6057 
1 1 1   22    7   21 o  549.062  122.164   5.0605   2.0461   6.1872   2.6261   3.3196   3.2643  603.580  141.421  475.326  171.414 128.2535 222.2221 
1 1 1   22    7   23 o  745.265  200.787   9.9106   4.7910   9.9106   4.7910   0.0000   0.0000  745.265  200.787  ?   ?  0.000000 200.7874 
1 1 1   22    7   25 o  1620.80   91.020   42.184   4.6007   42.009   5.7063   42.511   7.7771  1606.00  114.217  1587.83  158.541 18.16455 195.3989 
1 1 1   22    7   27 o  616.616  121.691   6.4059   2.2662   7.4829   3.0241   5.0264   3.4224  657.910  150.111  543.740  176.079 114.1696 231.3805 
1 1 1   22    7   29 o  985.760  114.538   16.085   3.4695   19.982   5.0259   12.537   4.7954  1078.80  153.078  831.752  188.483 247.0518 242.8143 
1 1 1   22    7   31 o  904.611   94.225   13.444   2.6298   13.223   3.9402   13.622   3.5315  867.191  150.569  892.432  130.210 -25.24091 199.0620 
1 1 1   22    7   33 o  276.282  116.774   0.3581   1.7381  -1.7145   2.8197   1.6282   2.2073  285.074  132.231  352.940  137.911 -67.86584 191.0619 
1 1 1   22    7   35 o  392.584  134.984   2.7224   2.0066   1.4897   3.1381   3.5751   2.6100  373.277  157.291  439.603  153.785 -66.32645 219.9779 
1 1 1   22    7   37 o  475.536  173.937   4.7626   3.3784   4.8794   4.1111   4.5195   5.9287  477.751  187.763  476.742  208.632 1.009155 280.6819 
1 1 1   22    7   39 o  406.320  146.247   3.3458   2.3749   9.0787   4.3007   0.8307   2.8486  592.204  197.675  325.271  143.410 266.9330 244.2168 
1 1 1   22    7   41 o  832.457  118.304   13.410   2.9970   18.608   4.8168   10.126   3.8282  879.458  180.952  628.947  183.213 250.5118 257.5081 
1 1 1   22    7   43 o  465.726  156.152   5.5077   2.6838   2.8127   4.4858   7.0102   3.3494  364.179  168.167  496.150  174.177 -131.9713 242.1110 
1 1 1   22    8    0 o  278.664  118.221   0.0969   1.7921   0.0969   1.7921   0.0000   0.0000  278.664  118.221  ?   ?  0.000000 118.2210 
1 1 1   22    8    2 o  992.840  110.835   15.942   3.3869   15.942   3.3869   0.0000   0.0000  992.840  110.835  ?   ?  0.000000 110.8345 
1 1 1   22    8    4 o  1149.16  109.971   21.313   3.9088   21.313   3.9088   0.0000   0.0000  1149.16  109.971  ?   ?  0.000000 109.9713 
1 1 1   22    8    6 o  1799.81   88.525   51.488   4.9889   43.412   6.0831   68.080   8.7192  1638.66  119.377  2044.24  137.008 -405.5854 181.7197 
1 1 1   22    8    8 o  1375.15   88.275   30.189   3.7810   28.048   4.5725   34.816   6.7233  1317.58  111.890  1451.99  150.040 -134.4174 187.1668 
1 1 1   22    8   10 o  512.538  138.101   4.4171   2.2663   4.7524   3.1355   4.0503   3.2794  535.641  167.988  507.402  172.600 28.23862 240.8541 
1 1 1   22    8   12 f  675.016  111.290   7.4860   2.2703   9.7177   2.7831   3.0474   3.9250  768.747  119.499  487.782  185.638 280.9650 220.7750 
1 1 1   22    8   14 o  373.327  126.901   2.1012   1.7727   3.2833   2.1716  -0.2600   3.0692  449.561  139.609  348.594  151.369 100.9675 205.9210 
1 1 1   22    8   16 o  338.062  128.159   1.3581   1.8661   0.7997   2.4259   2.1672   2.9205  345.393  141.251  420.929  160.146 -75.53583 213.5380 
1 1 1   22    8   18 o  152.986   76.061  -3.5045   1.4205  -1.8983   1.9370  -5.3734   2.0894  229.050  107.345  182.307   90.896 46.74286 140.6592 
1 1 1   22    8   20 o  681.736  109.911   7.6364   2.2665   4.4876   3.2168   10.740   3.1939  524.246  170.770  804.345  131.345 -280.0995 215.4387 
1 1 1   22    8   22 o  1064.01   94.204   18.223   3.1061   21.181   3.9759   13.590   4.9760  1141.30  112.726  882.919  185.868 258.3859 217.3801 
1 1 1   22    8   24 o  947.560  100.857   14.568   2.9465   17.158   3.8999   11.123   4.4976  1020.34  124.657  795.407  184.206 224.9292 222.4216 
1 1 1   22    8   26 o  468.014  138.665   3.6797   2.1767   4.6315   2.9635   2.5647   3.2075  523.424  163.179  441.827  167.896 81.59698 234.1288 
1 1 1   22    8   28 o  891.777  116.975   13.174   3.1876   17.143   4.5746   9.4271   4.4441  1002.85  150.312  721.807  192.926 281.0407 244.5699 
1 1 1   22    8   30 o  627.408  119.553   6.6928   2.2629   7.1572   3.8416   6.4461   2.8004  625.815  183.888  604.585  148.905 21.22992 236.6167 
1 1 1   22    8   32 o  257.586  112.754  -0.1676   1.7327   4.1935   2.8849  -2.6285   2.1671  485.405  161.895  226.085  108.146 259.3193 194.6939 
1 1 1   22    8   34 o  1204.25   86.253   24.051   3.2309   27.125   4.8930   21.674   4.3021  1239.37  127.923  1108.70  126.171 130.6743 179.6754 
1 1 1   22    8   36 o  277.107  121.340   0.1042   2.0081  -0.2910   3.3822   0.3194   2.4955  332.288  150.611  309.107  135.312 23.18118 202.4673 
1 1 1   22    8   38 o  422.461  147.031   3.5509   2.3843   3.6260   4.1554   3.5141   2.9112  433.395  181.725  420.951  159.954 12.44360 242.0935 
1 1 1   22    8   40 o  439.164  148.885   4.1611   2.4401   2.0644   3.8285   5.5955   3.1666  374.193  165.551  486.075  169.429 -111.8817 236.8830 
1 1 1   22    8   42 o  373.295  143.741   3.0144   2.3709   1.4214   4.0411   3.8506   2.9277  347.476  160.159  402.310  158.344 -54.83447 225.2189 
1 1 1   22    9    1 f  1180.73  111.565   22.477   4.0759   22.477   4.0759   0.0000   0.0000  1180.73  111.565  ?   ?  0.000000 111.5649 
1 1 1   22    9    3 o  814.679  117.597   10.849   2.9130   10.849   2.9130   0.0000   0.0000  814.679  117.597  ?   ?  0.000000 117.5968 
1 1 1   22    9    5 o  319.224  128.292   0.8237   1.9615   0.8237   1.9615   0.0000   0.0000  319.224  128.292  ?   ?  0.000000 128.2919 
1 1 1   22    9    7 o  599.591  140.063   6.0573   2.5821   6.0573   2.5821   0.0000   0.0000  599.591  140.063  ?   ?  0.000000 140.0628 
1 1 1   22    9    9 o  503.482  123.026   4.2387   1.9230   1.8464   2.3473   9.1215   3.3535  383.779  144.128  735.644  150.654 -351.8648 208.4935 
1 1 1   22    9   11 o  1868.47   89.057   55.446   5.2104   49.744   8.7657   58.562   6.4793  1734.41  163.329  1910.72  108.746 -176.3110 196.2192 
1 1 1   22    9   13 o  1021.73   81.044   16.632   2.5716   14.109   3.5047   19.574   3.7849  929.528  123.467  1101.02  111.314 -171.4955 166.2381 
1 1 1   22    9   15 o  424.773  126.535   2.9470   1.8089   0.6084   2.4901   5.5601   2.6322  342.650  141.924  574.430  146.022 -231.7796 203.6293 
1 1 1   22    9   17 o  1014.65   94.104   16.512   2.9558   13.990   3.6722   21.151   4.9809  922.732  130.757  1133.20  143.595 -210.4645 194.2083 
1 1 1   22    9   19 o  853.740   93.055   11.736   2.4473   12.147   3.4326   11.311   3.4902  857.265  132.123  823.930  140.310 33.33490 192.7260 
1 1 1   22    9   21 o  1077.91   86.214   18.594   2.8855   19.979   4.0293   17.135   4.1342  1107.49  118.008  1019.48  132.651 88.01770 177.5449 
1 1 1   22    9   23 o  1312.40   93.493   27.645   3.8169   19.245   6.0793   33.111   4.9040  1051.99  191.614  1430.23  110.358 -378.2399 221.1214 
1 1 1   22    9   25 o  578.581  133.116   5.6756   2.3615   6.5450   3.1666   4.5862   3.5446  615.415  162.079  530.824  179.448 84.59113 241.8084 
1 1 1   22    9   27 o  609.576  129.562   6.3015   2.3968   2.7433   3.7546   8.7487   3.1137  465.418  180.418  715.664  143.937 -250.2459 230.7998 
1 1 1   22    9   29 o  871.586  111.629   12.589   2.9765   12.509   4.0545   12.682   4.3835  846.274  158.841  845.393  171.461 0.8811646 233.7289 
1 1 1   22    9   31 o  494.089  131.757   4.2879   2.0758   4.6177   3.2101   4.0509   2.7213  510.440  170.779  481.245  157.084 29.19519 232.0359 
1 1 1   22    9   33 f  424.332  135.189   3.1820   2.0237  -0.9388   3.0631   6.3740   2.6959  314.164  142.759  587.472  146.931 -273.3082 204.8628 
1 1 1   22    9   35 o  512.028  138.519   4.9328   2.2746   9.2165   3.3363   1.2123   3.1093  688.771  158.048  364.058  155.122 324.7130 221.4539 
1 1 1   22    9   37 o  594.472  142.343   6.8958   2.6146   10.433   4.3603   4.9100   3.2671  674.528  195.255  483.517  171.795 191.0110 260.0730 
1 1 1   22    9   39 o  385.153  145.251   2.8345   2.3891  -1.2856   4.1030   4.9479   2.9386  326.042  153.863  474.215  163.334 -148.1727 224.3918 
1 1 1   22    9   41 o  679.786  132.871   9.3551   2.7269   8.6226   4.1908   9.8930   3.5910  554.482  194.820  641.511  174.255 -87.02850 261.3803 
1 1 1   22    9   43 o  261.764  121.620  -0.3800   2.4004   5.9287   8.7241  -0.8967   2.4967  405.936  199.304  254.917  120.215 151.0191 232.7525 
1 1 1   22   10    0 f  590.187  104.744   5.7108   1.8648   5.0071   2.5843   6.4752   2.6936  546.295  147.586  620.988  141.659 -74.69293 204.5702 
1 1 1   22   10    2 o  458.448  118.412   3.4948   1.7118   0.8329   2.3027   6.7827   2.5592  340.171  138.193  637.599  132.509 -297.4279 191.4574 
1 1 1   22   10    4 o  705.864  111.097   8.1478   2.3744   8.2561   2.8134   7.8797   4.4261  704.946  132.316  678.076  196.852 26.86932 237.1882 
1 1 1   22   10    6 o  433.696  143.155   2.9382   2.2578   2.9382   2.2578   0.0000   0.0000  433.696  143.155  ?   ?  0.000000 143.1547 
1 1 1   22   10    8 o  266.506  114.020  -0.0201   1.6923   1.8987   1.8958  -7.5460   3.7544  367.492  130.834  263.952  129.824 103.5402 184.3148 
1 1 1   22   10   10 o  928.662   84.474   13.769   2.4295   12.161   3.3682   15.512   3.5078  860.984  128.900  978.026  116.857 -117.0411 173.9851 
1 1 1   22   10   12 o  421.916  125.627   2.8989   1.7833   3.2705   2.1126   1.9777   3.3264  449.026  137.412  432.165  169.180 16.86102 217.9540 
1 1 1   22   10   14 o  1508.79   90.703   36.240   4.2652   35.609   5.2855   37.417   7.2221  1488.37  114.283  1509.90  154.953 -21.52637 192.5383 
1 1 1   22   10   16 o  1323.36   90.347   27.921   3.7214   28.406   4.5921   26.992   6.3517  1328.73  111.401  1275.92  162.685 52.80835 197.1718 
1 1 1   22   10   18 o  623.226  134.236   6.5052   2.5422   5.4562   3.5091   7.6640   3.6880  572.445  177.419  669.034  174.298 -96.58875 248.7112 
1 1 1   22   10   20 o  1554.26   80.164   38.400   3.8881   35.821   5.4230   41.129   5.5775  1488.19  117.326  1597.35  112.224 -109.1536 162.3568 
1 1 1   22   10   22 o  913.918  109.042   13.583   3.0588   13.848   3.9863   13.203   4.7701  910.643  144.636  874.848  180.134 35.79498 231.0148 
1 1 1   22   10   24 o  941.772   97.366   14.328   2.8298   13.762   4.0513   14.867   3.9543  905.090  148.073  945.631  137.580 -40.54047 202.1236 
1 1 1   22   10   26 o  529.283  130.253   4.7514   2.1441   7.0449   3.0661   2.5566   2.9993  639.271  154.817  435.234  163.024 204.0376 224.8226 
1 1 1   22   10   28 o  799.191  102.391   10.483   2.5034   9.4456   3.4646   11.617   3.6212  737.329  154.985  824.034  145.671 -86.70544 212.6979 
1 1 1   22   10   30 o  472.489  131.522   3.8756   2.0174   1.4687   3.0617   5.7224   2.6819  389.263  158.879  567.565  149.009 -178.3019 217.8218 
1 1 1   22   10   32 o  420.321  161.849   2.6258   3.0059   3.8299   3.5312  -0.5425   5.7279  475.993  177.165  429.645  195.228 46.34769 263.6310 
1 1 1   22   10   34 o  804.029  138.598   11.758   3.3634   8.5856   7.1739   12.651   3.8078  607.439  244.917  822.051  153.577 -214.6124 289.0850 
1 1 1   22   10   36 o  778.562  117.105   10.834   2.7665   10.284   4.0883   11.299   3.7574  694.346  184.786  752.456  164.096 -58.10999 247.1304 
1 1 1   22   10   38 o  426.107  144.609   3.5796   2.3020   5.7331   3.4901   1.9213   3.0626  506.744  177.802  370.259  155.670 136.4858 236.3192 
1 1 1   22   10   40 o  328.997  134.384   1.6430   2.1925  -1.6369   3.4657   3.8316   2.8310  294.729  139.776  422.640  158.369 -127.9110 211.2299 
1 1 1   22   10   42 o  634.047  166.056   9.5803   3.3360   13.537   8.6059   8.8806   3.6189  508.250  234.063  582.505  180.114 -74.25406 295.3415 
1 1 1   22   11    1 o  355.192  121.048   1.8768   1.6130   0.5108   2.1862   3.5087   2.3896  321.304  133.025  466.702  146.698 -145.3977 198.0303 
1 1 1   22   11    3 o  1203.20   94.675   23.126   3.5381   17.921   6.2742   25.553   4.2843  1021.44  203.318  1261.00  109.594 -239.5608 230.9741 
1 1 1   22   11    5 o  648.698  157.267   7.1042   3.1613  -0.2424   4.4259   14.757   4.5171  419.826  182.035  940.925  158.980 -521.0995 241.6843 
1 1 1   22   11    7 o  1438.16   90.212   32.907   4.0419   30.275   4.8206   39.137   7.4166  1372.88  113.146  1546.01  155.307 -173.1227 192.1519 
1 1 1   22   11    9 o  819.327  104.304   10.841   2.6153   12.199   3.0575   7.1378   5.0485  867.086  115.484  658.408  213.907 208.6786 243.0897 
1 1 1   22   11   11 o  278.668  119.182  -0.0223   1.8479  -0.0223   1.8479   0.0000   0.0000  278.668  119.182  ?   ?  0.000000 119.1821 
1 1 1   22   11   13 o  578.291  123.334   5.5483   2.1651   3.4833   2.6204   9.9917   3.8438  470.798  154.165  770.037  164.416 -299.2384 225.3878 
1 1 1   22   11   15 o  269.497  114.965   0.0125   1.7115  -1.2696   2.2690   1.7048   2.6068  270.956  123.026  390.787  150.654 -119.8312 194.5047 
1 1 1   22   11   17 o  1102.69   86.873   19.394   2.9752   17.234   4.0763   21.856   4.3525  1027.33  129.602  1161.29  121.495 -133.9600 177.6451 
1 1 1   22   11   19 o  521.151  132.001   4.5525   2.1564   5.5779   2.7319   2.8575   3.5124  574.702  150.157  468.840  176.259 105.8627 231.5472 
1 1 1   22   11   21 o  1265.71   84.466   25.539   3.3284   26.806   4.6875   24.250   4.7269  1286.30  117.684  1220.11  125.515 66.18945 172.0567 
1 1 1   22   11   23 o  448.617  133.066   3.3237   2.0036   2.5892   2.6770   4.2592   3.0212  428.196  155.105  511.231  165.423 -83.03485 226.7649 
1 1 1   22   11   25 f  392.671  147.718   1.9784   2.4677   1.4258   5.2664   2.1338   2.7934  485.565  204.141  412.202  156.671 73.36246 257.3311 
1 1 1   22   11   27 o  448.895  145.376   3.2986   2.3329   4.3642   3.5171   2.4613   3.1174  518.295  178.677  433.926  165.370 84.36935 243.4601 
1 1 1   22   11   29 o  1008.64   98.412   16.664   3.0685   15.154   4.3380   18.177   4.3411  932.854  153.878  1033.14  137.613 -100.2891 206.4362 
1 1 1   22   11   31 o  1535.40   87.899   38.497   4.2084   32.511   5.9663   44.424   5.9369  1366.79  141.455  1623.92  117.551 -257.1328 183.9235 
1 1 1   22   11   33 o  377.068  138.091   2.2502   2.1303   0.3477   3.1588   3.8374   2.8852  349.652  152.669  462.531  161.698 -112.8795 222.3829 
1 1 1   22   11   35 o  480.541  167.788   4.4616   3.1062   4.4160   3.4416   4.6622   7.2140  479.409  175.526  518.984  228.548 -39.57410 288.1728 
1 1 1   22   11   37 o  240.275  111.313  -1.0969   1.9891  -5.9143   3.1470   2.1080   2.5668  231.918  114.944  369.693  147.385 -137.7747 186.9075 
1 1 1   22   11   39 o  412.561  147.596   3.3852   2.4154   1.5898   3.9156   4.4881   3.0689  377.322  167.156  456.695  165.972 -79.37350 235.5586 
1 1 1   22   11   41 o  803.930  168.566   14.562   4.1077   0.0000   0.0000   14.562   4.1077  ?   ?   803.930  168.566 0.000000 168.5659 
1 1 1   22   12    0 o  865.963  108.770   12.120   2.8843   8.3977   3.5599   19.231   4.9208  705.281  164.258  1081.72  149.255 -376.4411 221.9404 
1 1 1   22   12    2 o  2279.67  119.944   83.247   8.5318   65.569   12.092  100.774   12.040  1984.05  197.248  2490.34  155.172 -506.2880 250.9684 
1 1 1   22   12    4 o  876.472   90.125   12.286   2.4382   10.854   3.3651   13.869   3.5376  811.762  137.283  923.240  125.634 -111.4785 186.0929 
1 1 1   22   12    6 f  1265.59   80.800   25.396   3.1853   23.740   4.4240   27.179   4.5899  1214.77  117.787  1301.62  113.759 -86.85046 163.7522 
1 1 1   22   12    8 o  712.341  133.554   8.3789   2.8695   8.3789   2.8695   0.0000   0.0000  712.341  133.554  ?   ?  0.000000 133.5544 
1 1 1   22   12   10 o  563.308  144.880   5.2966   2.5700   5.2966   2.5700   0.0000   0.0000  563.308  144.880  ?   ?  0.000000 144.8803 
1 1 1   22   12   12 o  862.143  157.335   12.369   4.0909   12.369   4.0909   0.0000   0.0000  862.143  157.335  ?   ?  0.000000 157.3346 
1 1 1   22   12   14 o  268.543  122.075  -1.2974   2.2425  -1.7337   2.4891   0.5833   5.1678  275.470  126.497  471.618  200.445 -196.1489 237.0220 
1 1 1   22   12   16 f  813.751   98.512   10.670   2.4590   11.283   3.3155   9.9197   3.6660  828.286  132.286  768.439  157.646 59.84619 205.7955 
1 1 1   22   12   18 o  680.129  122.328   7.6321   2.5094   5.7614   3.2010   10.615   4.0419  585.173  166.658  791.374  168.292 -206.2010 236.8486 
1 1 1   22   12   20 o  826.912  107.470   11.095   2.7169   11.011   3.4718   11.229   4.3641  813.781  141.377  810.538  176.916 3.242310 226.4656 
1 1 1   22   12   22 f  1081.08   90.825   18.709   3.0461   16.777   4.2687   20.713   4.3479  1008.51  138.859  1127.22  125.304 -118.7116 187.0375 
1 1 1   22   12   24 o  349.580  130.892   1.5400   1.9331  -0.2579   2.6062   3.7392   2.8824  320.363  139.298  484.643  161.829 -164.2805 213.5239 
1 1 1   22   12   26 o  799.130  104.293   10.442   2.5475   10.668   3.4668   10.177   3.7559  793.187  144.924  767.901  161.333 25.28687 216.8670 
1 1 1   22   12   28 o  284.076  130.507  -1.6191   2.6534  -0.4676   5.9051  -1.9104   2.9702  457.619  203.862  297.318  137.133 160.3017 245.6931 
1 1 1   22   12   30 o  947.764  102.281   14.893   2.9873   13.063   4.2304   16.713   4.2188  851.049  164.702  981.244  141.391 -130.1948 217.0675 
1 1 1   22   12   32 o  420.818  145.330   3.0070   2.3273   5.0274   3.6601   1.6358   3.0153  521.332  182.128  385.094  157.480 136.2382 240.7713 
1 1 1   22   12   34 o  361.296  159.419   0.3234   3.5269   0.3234   3.5269   0.0000   0.0000  361.296  159.419  ?   ?  0.000000 159.4188 
1 1 1   22   12   36 o  409.169  148.577   2.9913   2.4586   0.2115   3.8424   4.9183   3.1993  362.539  162.758  494.880  170.424 -132.3415 235.6580 
1 1 1   22   12   38 o  272.632  122.067  -0.2034   2.1459  -3.3897   3.5421   1.6441   2.6973  280.648  135.264  354.013  147.259 -73.36465 199.9535 
1 1 1   22   12   40 o  465.524  173.762   4.9737   3.4016   0.0000   0.0000   4.9737   3.4016  ?   ?   465.524  173.762 0.000000 173.7616 
1 1 1   22   13    1 o  774.108  122.395   9.7756   2.8681   4.4225   5.1295   12.210   3.4594  574.187  213.563  864.610  131.963 -290.4228 251.0445 
1 1 1   22   13    3 o  1641.36   80.750   42.511   4.1502   44.417   5.8815   40.621   5.8570  1667.79  113.295  1593.21  118.249 74.58325 163.7636 
1 1 1   22   13    5 o  907.376   95.597   13.170   2.6752   15.853   3.3556   8.4893   4.4317  993.398  109.709  708.924  194.001 284.4738 222.8733 
1 1 1   22   13    7 o  2316.73   95.081   84.935   6.8974   70.084   11.640   92.971   8.5624  2068.55  181.551  2418.51  113.066 -349.9639 213.8797 
1 1 1   22   13    9 o  918.954   96.352   13.511   2.7313   12.939   3.4613   14.455   4.4461  891.877  127.578  935.280  157.408 -43.40265 202.6164 
1 1 1   22   13   11 o  512.304  156.367   4.2642   2.7378   2.1973   3.1297   11.002   5.6507  434.031  165.627  800.912  219.019 -366.8811 274.5935 
1 1 1   22   13   13 o  1214.41  126.091   23.816   4.7248   27.731   6.1398   18.131   7.3988  1302.38  153.504  1020.45  236.221 281.9294 281.7163 
1 1 1   22   13   15 o  626.771  145.928   6.5790   2.8104   5.7251   3.1678   9.7360   6.0911  585.133  165.496  755.618  233.676 -170.4852 286.3446 
1 1 1   22   13   17 o  580.154  131.675   5.6133   2.3373   5.4845   3.1900   5.7627   3.4343  573.425  167.305  587.765  174.182 -14.33948 241.5162 
1 1 1   22   13   19 o  811.316  134.138   10.858   3.2886   12.750   3.7617   4.7233   6.7738  878.352  141.584  619.044  241.676 259.3082 280.0951 
1 1 1   22   13   21 o  945.758   98.668   14.385   2.8789   15.297   4.0114   13.417   4.1342  964.419  136.660  896.803  152.695 67.61566 204.9188 
1 1 1   22   13   23 o  561.784  135.731   5.3165   2.3609   6.8815   3.3058   3.6872   3.3729  634.439  164.893  495.058  174.699 139.3811 240.2281 
1 1 1   22   13   25 o  677.093  119.444   7.6232   2.4398   4.8175   3.3489   10.797   3.5618  538.131  174.168  798.488  147.905 -260.3570 228.4956 
1 1 1   22   13   27 o  297.425  125.166   0.3319   1.9830  -0.4953   2.7809   1.1875   2.8284  320.689  141.527  374.633  152.783 -53.94397 208.2609 
1 1 1   22   13   29 o  337.114  135.900   1.0882   2.2084  -1.0812   3.1902   3.0843   3.0601  325.739  147.081  448.380  165.309 -122.6405 221.2688 
1 1 1   22   13   31 o  1448.14  100.007   34.715   4.5070   36.770   7.3530   33.478   5.7042  1423.73  168.185  1394.38  132.228 29.35608 213.9401 
1 1 1   22   13   33 o  736.169  199.635   11.075   4.7179   11.075   4.7179   0.0000   0.0000  736.169  199.635  ?   ?  0.000000 199.6352 
1 1 1   22   13   35 o  258.853  116.213  -0.4797   1.9591   1.1070   2.9259  -1.7691   2.6376  356.329  151.108  269.306  125.908 87.02374 196.6886 
1 1 1   22   13   37 o  407.237  146.732   3.0217   2.3913   5.0886   3.8108   1.6793   3.0711  494.489  184.045  371.631  156.048 122.8575 241.2954 
1 1 1   22   13   39 o  580.227  172.517   7.4268   3.3648   9.4088   9.1936   7.1202   3.6157  538.091  245.597  557.926  181.013 -19.83569 305.0958 
1 1 1   22   14    0 o  336.772  137.015   0.7442   2.2678  -0.0000   4.1357   1.0642   2.7119  415.255  177.967  373.769  150.626 41.48529 233.1532 
1 1 1   22   14    2 o  1168.13  121.807   21.925   4.3898   14.431   6.3654   28.723   6.0620  918.469  223.463  1331.36  147.913 -412.8962 267.9807 
1 1 1   22   14    4 o  277.036  118.999  -0.1056   1.8566  -1.1179   2.5361   1.0633   2.7252  295.025  132.354  374.491  150.967 -79.46545 200.7705 
1 1 1   22   14    6 o  445.436  145.510   3.0724   2.3349   1.9763   3.1187   4.4704   3.5222  426.425  164.674  537.265  178.871 -110.8398 243.1302 
1 1 1   22   14    8 o  287.465  118.829   0.3813   1.7406  -1.3146   2.3651   2.3852   2.5709  277.737  125.910  420.106  152.027 -142.3687 197.3970 
1 1 1   22   14   10 o  498.195  124.912   4.1091   1.9450   2.6355   2.5894   6.0169   2.9463  431.769  152.993  600.398  155.483 -168.6289 218.1326 
1 1 1   22   14   12 o  280.205  118.829   0.0821   1.8095  -0.8606   2.6415   0.9157   2.4838  308.496  136.949  355.274  143.807 -46.77731 198.5833 
1 1 1   22   14   14 o  415.766  156.211   2.1282   2.7580   3.1443   3.1179  -1.5265   5.9132  470.467  167.756  461.215  204.815 9.252228 264.7474 
1 1 1   22   14   16 o  1236.58  108.089   24.500   4.1432   27.857   4.8276   15.117   8.0723  1316.26  118.397  924.700  265.093 391.5576 290.3315 
1 1 1   22   14   18 o  642.233  153.927   6.9345   3.0551   8.0811   3.4275   2.5017   6.7393  692.393  161.119  569.590  234.468 122.8033 284.4897 
1 1 1   22   14   20 o  281.275  119.295   0.1004   1.8240   1.3050   2.8525  -0.7329   2.3724  387.332  155.046  292.982  129.937 94.34991 202.2941 
1 1 1   22   14   22 f  1416.17   98.858   32.106   4.3562   34.376   7.0460   30.701   5.5425  1441.52  158.731  1373.57  130.430 67.94849 205.4445 
1 1 1   22   14   24 o  371.362  141.537   1.6630   2.2837   3.2710   3.2393   0.0740   3.2201  472.816  170.718  364.341  156.615 108.4757 231.6747 
1 1 1   22   14   26 o  742.622  124.119   9.2379   2.7843   7.0036   4.0839   11.178   3.8060  628.664  190.777  804.685  156.686 -176.0211 246.8726 
1 1 1   22   14   28 f  952.633  116.331   15.129   3.3980   21.313   5.0352   9.9582   4.6046  1113.54  148.082  731.338  196.762 382.1985 246.2591 
1 1 1   22   14   30 o  500.703  146.261   4.4451   2.4367   5.1837   3.3668   3.6326   3.5311  535.940  174.713  476.256  177.181 59.68390 248.8330 
1 1 1   22   14   32 o  1446.81  115.752   35.486   5.2000   35.725   6.0216   34.786   10.313  1431.39  135.982  1237.91  273.355 193.4791 305.3100 
1 1 1   22   14   34 o  493.956  153.028   4.5560   2.6109   8.7411   3.9484   1.3043   3.4804  659.607  184.137  386.392  164.365 273.2147 246.8250 
1 1 1   22   14   36 o  395.212  146.285   2.6505   2.4009   2.1731   3.4120   3.1188   3.3791  401.746  166.245  431.238  169.991 -29.49203 237.7691 
1 1 1   22   14   38 o  825.750  132.856   12.734   3.3187   8.1195   5.0301   16.291   4.4162  574.232  211.899  901.807  162.363 -327.5748 266.9512 
1 1 1   22   15    1 o  469.148  156.897   3.3428   2.7094   6.5492   5.0476   2.0450   3.2112  645.190  214.097  433.578  167.193 211.6122 271.6447 
1 1 1   22   15    3 o  1068.45  128.263   18.405   4.2054   11.326   6.0682   24.946   5.8333  817.465  228.302  1239.36  153.604 -421.8992 275.1653 
1 1 1   22   15    5 o  1182.87  106.871   22.329   3.9156   22.099   7.1386   22.427   4.6829  1148.70  206.038  1180.53  128.773 -31.83496 242.9693 
1 1 1   22   15    7 f  1303.01   97.668   26.989   3.9559   25.589   4.9166   29.559   6.6618  1262.17  126.089  1347.35  161.100 -85.17200 204.5764 
1 1 1   22   15    9 o  1051.47  103.272   17.670   3.3563   14.381   4.2100   23.405   5.5595  936.691  148.493  1199.19  151.432 -262.5048 212.0887 
1 1 1   22   15   11 o  1209.44   99.181   23.305   3.7230   18.457   4.6692   31.768   6.1689  1064.49  143.760  1401.76  142.528 -337.2632 202.4378 
1 1 1   22   15   13 o  1152.21  105.108   21.224   3.7504   20.005   5.9805   22.013   4.8148  1096.74  180.422  1166.20  134.305 -69.45874 224.9222 
1 1 1   22   15   15 o  358.657  140.070   1.2895   2.2760  -0.1613   3.4081   2.4575   3.0579  372.958  160.725  441.235  164.738 -68.27753 230.1543 
1 1 1   22   15   17 o  779.343  160.007   10.158   3.7739   11.178   4.4344   7.4790   7.1871  813.408  178.964  703.965  254.273 109.4427 310.9389 
1 1 1   22   15   19 o  1115.44  140.844   20.326   4.8096   21.036   5.9248   18.952   8.2361  1123.31  174.077  1033.31  255.893 89.99268 309.4901 
1 1 1   22   15   21 o  410.807  164.696   1.4961   3.2240   1.4961   3.2240   0.0000   0.0000  410.807  164.696  ?   ?  0.000000 164.6959 
1 1 1   22   15   23 o  498.236  144.375   4.1567   2.3828   4.6996   3.3355   3.5909   3.4052  535.104  173.871  490.883  175.286 44.22113 246.8927 
1 1 1   22   15   25 o  335.994  134.485   1.0323   2.1459   0.5790   3.0174   1.4961   3.0523  366.283  154.285  397.506  159.937 -31.22263 222.2246 
1 1 1   22   15   27 o  537.089  144.947   5.0155   2.4942   7.7272   3.4917   2.1902   3.5641  658.302  168.640  436.299  173.756 222.0038 242.1375 
1 1 1   22   15   29 f  1352.36  102.059   30.058   4.2899   20.855   6.5344   37.029   5.6871  1051.93  205.754  1486.03  123.336 -434.1036 239.8887 
1 1 1   22   15   31 o  743.364  172.707   10.285   3.9433   16.461   4.3532 -17.9558   9.3089  964.124  149.002  381.603  190.518 582.5214 241.8646 
1 1 1   22   15   33 o  893.895  122.420   13.844   3.3365   7.8910   4.7981   19.417   4.6427  620.745  208.786  1040.59  146.547 -419.8431 255.0836 
1 1 1   22   15   35 o  429.223  147.721   3.2881   2.4035   4.5505   3.3040   1.8693   3.5028  490.168  172.912  400.908  167.377 89.25946 240.6527 
1 1 1   22   15   37 o  343.655  143.265   1.2697   2.5609  -0.3435   3.8293   2.5750   3.4446  350.533  159.413  411.612  168.321 -61.07825 231.8284 
1 1 1   22   16    0 o  239.501  113.178  -2.5584   2.2340   0.1434   2.5040 -13.0980   4.9457  330.631  139.976  277.379  138.541 53.25208 196.9438 
1 1 1   22   16    2 o  1046.23  112.592   17.526   3.6304   21.071   4.2827   8.4730   6.8436  1146.42  121.140  735.138  249.339 411.2809 277.2093 
1 1 1   22   16    4 o  515.155  204.554   2.4816   4.9261   2.4816   4.9261   0.0000   0.0000  515.155  204.554  ?   ?  0.000000 204.5544 
1 1 1   22   16    6 o  505.845  213.411   0.7813   5.7881   0.0000   0.0000   0.7813   5.7881  ?   ?   505.845  213.411 0.000000 213.4108 
1 1 1   22   16    8 o  522.564  218.760   1.1878   6.0064   0.0000   0.0000   1.1878   6.0064  ?   ?   522.564  218.760 0.000000 218.7596 
1 1 1   22   16   10 o  371.505  150.876   0.9478   2.7437   1.9705   4.7560   0.4376   3.3590  493.777  199.302  388.092  163.091 105.6855 257.5266 
1 1 1   22   16   12 o  739.328  141.592   9.0164   3.1585   9.2826   5.5028   8.8857   3.8572  743.705  220.505  727.956  171.956 15.74884 279.6273 
1 1 1   22   16   14 o  984.295  113.462   15.580   3.4330   15.362   5.3311   15.734   4.4871  957.967  184.417  979.570  151.154 -21.60223 238.4478 
1 1 1   22   16   16 o  282.019  126.190  -0.9471   2.2894  -0.4976   3.2185  -1.4076   3.2574  353.696  154.279  333.563  149.796 20.13309 215.0367 
1 1 1   22   16   18 f  407.115  146.447   2.2836   2.3811   1.5705   3.1987   3.1698   3.5658  414.127  164.709  485.429  178.523 -71.30264 242.8985 
1 1 1   22   16   20 o  302.919  135.266  -0.9662   2.6164  -2.7318   2.8008   11.134   7.3320  275.068  128.965  800.963  257.550 -525.8941 288.0348 
1 1 1   22   16   22 o  667.197  176.755   7.6762   3.7516   7.6762   3.7516   0.0000   0.0000  667.197  176.755  ?   ?  0.000000 176.7552 
1 1 1   22   16   24 o  467.255  151.096   3.5680   2.5208   4.3189   3.4602   2.7187   3.6799  517.805  177.288  464.025  178.965 53.78009 251.9119 
1 1 1   22   16   26 o  624.506  191.515   6.9610   4.1012   0.0000   0.0000   6.9610   4.1012  ?   ?   624.506  191.515 0.000000 191.5152 
1 1 1   22   16   28 o  548.550  148.549   5.2880   2.6144   3.5678   3.4409   7.6375   4.0213  478.475  175.459  645.314  187.719 -166.8383 256.9516 
1 1 1   22   16   30 o  472.445  170.099   3.6660   3.2130   3.6660   3.2130   0.0000   0.0000  472.445  170.099  ?   ?  0.000000 170.0990 
1 1 1   22   16   32 o  1361.81  115.712   31.334   4.8874   24.911   6.7310   38.496   7.1080  1140.70  195.482  1466.94  157.195 -326.2357 250.8452 
1 1 1   22   16   34 o  455.754  154.578   3.7161   2.6303   2.6735   3.3396   5.4196   4.2687  426.726  168.745  533.208  195.443 -106.4825 258.2113 
1 1 1   22   16   36 o  309.110  132.297   0.5116   2.2799  -2.4017   3.0207   4.3677   3.4753  278.704  131.674  480.535  176.317 -201.8308 220.0585 
1 1 1   22   17    1 o  1217.35  170.876   24.194   6.3341   24.194   6.3341   0.0000   0.0000  1217.35  170.876  ?   ?  0.000000 170.8760 
1 1 1   22   17    3 o  817.367  161.848   11.047   3.9957   12.188   4.9139   8.8198   6.8650  853.611  188.847  746.583  249.745 107.0279 313.1061 
1 1 1   22   17    5 o  708.347  179.157   8.3818   3.9764   9.9449   4.8400   5.1353   6.9750  769.519  199.283  647.938  247.258 121.5803 317.5695 
1 1 1   22   17    7 o  395.668  186.681  -6.4188   6.0343   0.0000   0.0000  -6.4188   6.0343  ?   ?   395.668  186.681 0.000000 186.6813 
1 1 1   22   17    9 o  591.292  233.006   3.5975   6.3468   0.0000   0.0000   3.5975   6.3468  ?   ?   591.292  233.006 0.000000 233.0060 
1 1 1   22   17   11 o  692.118  207.069   7.9248   4.8364   6.8524   6.8621   8.9834   6.8176  688.537  248.495  748.557  248.840 -60.01978 351.6688 
1 1 1   22   17   13 o  452.777  178.739   1.9591   3.7409   0.6995   4.4189   5.1455   7.0281  446.424  187.303  646.836  247.872 -200.4119 310.6818 
1 1 1   22   17   15 o  533.264  197.934   3.7336   4.4017   7.3845   5.4354  -3.2223   7.5027  677.192  222.049  498.608  225.308 178.5838 316.3375 
1 1 1   22   17   17 o  1352.56  134.350   29.567   5.6147   32.397   6.9091   24.065   9.6349  1407.70  159.563  1166.76  269.202 240.9414 312.9374 
1 1 1   22   17   19 o  340.052  146.998  -0.1984   2.8686  -0.8603   3.0815   4.1000   7.8532  334.909  148.331  632.857  255.869 -297.9484 295.7549 
1 1 1   22   17   21 o  1128.60  131.378   20.859   4.5559   19.062   5.1296   27.574   9.9140  1067.84  158.198  1227.57  265.635 -159.7327 309.1740 
1 1 1   22   17   23 o  522.440  178.890   4.3720   3.5230   4.3720   3.5230   0.0000   0.0000  522.440  178.890  ?   ?  0.000000 178.8898 
1 1 1   22   17   25 o  504.621  180.407   3.9764   3.6081   3.9764   3.6081   0.0000   0.0000  504.621  180.407  ?   ?  0.000000 180.4070 
1 1 1   22   17   27 o  483.875  177.202   3.5971   3.5079   3.5971   3.5079   0.0000   0.0000  483.875  177.202  ?   ?  0.000000 177.2021 
1 1 1   22   17   31 f  554.170  186.494   5.6083   3.8283   5.6083   3.8283   0.0000   0.0000  554.170  186.494  ?   ?  0.000000 186.4940 
1 1 1   22   17   33 o  549.029  185.056   5.6841   3.7695   7.4748   4.0665  -5.2471   10.047  618.416  190.881  483.298  231.624 135.1177 300.1417 
1 1 1   22   17   35 o  403.947  163.007   2.1860   3.1808  -0.6575   3.3563   27.250   9.9646  333.331  150.653  1012.88  295.744 -679.5443 331.9050 
1 1 1   22   18    0 o  450.983  171.044   2.3605   3.3249   2.8329   3.8462   0.9637   6.6144  487.667  184.203  543.119  228.582 -55.45190 293.5648 
1 1 1   22   18    2 o  1421.21  134.072   32.337   5.8960   40.238   7.5855   20.280   9.3709  1581.23  155.206  1086.17  275.200 495.0564 315.9488 
1 1 1   22   18    4 o  1406.97  108.851   31.464   4.7582   33.701   5.5445   25.212   9.2691  1453.50  122.976  1219.01  251.191 234.4919 279.6787 
1 1 1   22   18    6 o  960.493  129.815   14.894   3.8042   14.692   4.3279   15.579   7.9784  949.035  150.673  955.593  259.804 -6.558105 300.3342 
1 1 1   22   18    8 o  532.797  160.507   4.5840   2.8985   3.7963   3.1373   9.1756   7.5744  501.651  168.828  767.430  262.303 -265.7788 311.9393 
1 1 1   22   18   10 o  482.852  203.469   0.6735   5.2514   9.3024   7.3260  -8.4463   7.5315  766.488  257.986  435.615  206.434 330.8725 330.4116 
1 1 1   22   18   12 o  1246.30  170.872   25.407   6.4927   17.667   8.9016   34.205   9.4907  1009.65  274.393  1432.18  218.557 -422.5291 350.7977 
1 1 1   22   18   14 o  437.565  194.663  -1.6504   5.3648  -6.0606   7.3029   3.5197   7.9071  452.701  210.931  632.573  256.398 -179.8720 332.0119 
1 1 1   22   18   16 o  557.956  191.070   4.7594   4.0191   4.4681   4.5932   5.7112   8.3021  561.440  203.200  685.259  267.545 -123.8192 335.9625 
1 1 1   22   18   18 o  511.478  201.789   2.7772   4.7653   2.7772   4.7653   0.0000   0.0000  511.478  201.789  ?   ?  0.000000 201.7894 
1 1 1   22   18   20 o  226.212  111.193  -5.5078   2.7403  -5.5078   2.7403   0.0000   0.0000  226.212  111.193  ?   ?  0.000000 111.1931 
1 1 1   22   18   22 o  866.041  168.672   12.851   4.4095   12.851   4.4095   0.0000   0.0000  866.041  168.672  ?   ?  0.000000 168.6722 
1 1 1   22   18   24 o  720.324  194.967   9.2580   4.5049   9.2580   4.5049   0.0000   0.0000  720.324  194.967  ?   ?  0.000000 194.9665 
1 1 1   22   18   26 o  431.306  168.707   2.2454   3.3057   4.4956   3.5631 -11.6646   8.8589  522.341  179.856  429.176  208.546 93.16522 275.3904 
1 1 1   22   18   28 o  728.490  186.097   9.6929   4.2604   13.258   4.7664  -4.4768   9.5022  856.399  183.280  508.532  238.143 347.8679 300.5054 
1 1 1   22   18   30 o  359.457  153.618   0.4921   3.0657   0.8731   3.2483  -2.6162   9.2768  378.900  159.864  513.949  238.889 -135.0490 287.4446 
1 1 1   22   18   32 o  526.140  244.952  -1.4579   9.8170   0.0000   0.0000  -1.4579   9.8170  ?   ?   526.140  244.952 0.000000 244.9515 
1 1 1   22   18   34 o  361.557  156.290   0.5601   3.2425   0.5601   3.2425   0.0000   0.0000  361.557  156.290  ?   ?  0.000000 156.2899 
1 1 1   22   19    1 o  736.446  162.620   8.9758   3.6498   10.389   4.0802   3.3156   8.1644  792.163  169.611  643.264  260.604 148.8989 310.9380 
1 1 1   22   19    3 o  600.770  177.511   5.8722   3.5710   6.7158   3.9442   2.0365   8.4105  640.242  185.815  625.335  260.070 14.90747 319.6307 
1 1 1   22   19    5 o  1001.47  135.166   16.186   4.1303   16.894   4.7062   13.813   8.6167  1019.66  152.049  908.992  277.396 110.6676 316.3343 
1 1 1   22   19    7 o  319.259  141.847  -0.9977   2.8397  -0.9977   2.8397   0.0000   0.0000  319.259  141.847  ?   ?  0.000000 141.8473 
1 1 1   22   19    9 o  862.304  162.199   12.257   4.2188   14.292   4.7531   4.7011   9.1584  931.106  169.262  695.534  278.030 235.5720 325.5002 
1 1 1   22   19   11 o  443.402  164.853   2.4646   3.0558   2.4646   3.0558   0.0000   0.0000  443.402  164.853  ?   ?  0.000000 164.8527 
1 1 1   22   19   13 o  1023.38  274.600   18.293   8.9824   18.293   8.9824   0.0000   0.0000  1023.38  274.600  ?   ?  0.000000 274.5997 
1 1 1   22   19   15 o  611.656  257.597   1.9019   8.4092   1.9019   8.4092   0.0000   0.0000  611.656  257.597  ?   ?  0.000000 257.5972 
1 1 1   22   19   19 o  743.200  197.582   9.5735   4.6772   16.699   5.3750 -12.6498   9.4923  991.733  179.705  456.480  220.356 535.2531 284.3426 
1 1 1   22   19   21 o  607.062  214.086   5.8689   5.0645   0.1773   6.1111   18.350   9.0495  492.146  213.647  986.399  279.974 -494.2539 352.1791 
1 1 1   22   19   23 o  785.992  186.115   10.854   4.5098   10.714   5.1184   11.341   9.5355  773.768  207.143  795.251  292.016 -21.48291 358.0250 
1 1 1   22   19   25 o  531.900  186.156   4.5591   3.8246   5.2005   4.1911   1.3666   9.3512  561.722  194.970  594.422  261.026 -32.70013 325.8037 
1 1 1   22   19   27 o  495.239  182.581   3.7203   3.7330   2.7679   4.0116   9.8691   10.194  470.976  185.358  741.930  294.362 -270.9539 347.8601 
1 1 1   22   19   29 o  564.414  188.047   5.6123   3.8925   7.9297   4.1951  -8.7378   10.439  656.560  191.945  490.154  235.223 166.4060 303.5998 
1 1 1   22   19   31 o  380.185  160.266   0.9290   3.2600  -0.4630   3.4349   13.568   10.350  351.645  156.132  775.525  299.848 -423.8800 338.0618 
1 1 1   22   20    0 o  1207.29  128.377   23.312   4.7786   23.614   5.3834   22.188   10.377  1211.77  144.745  1138.81  290.167 72.95435 324.2652 
1 1 1   22   20    2 o  1253.99  128.924   25.141   4.9902   32.983   5.6139  -4.3831   10.893  1438.65  125.889  606.945  273.128 831.7039 300.7438 
1 1 1   22   20    4 o  947.226  162.680   14.684   4.6512   14.684   4.6512   0.0000   0.0000  947.226  162.680  ?   ?  0.000000 162.6797 
1 1 1   22   20    6 o  353.090  157.173  -1.2714   3.5027  -1.2714   3.5027   0.0000   0.0000  353.090  157.173  ?   ?  0.000000 157.1731 
1 1 1   22   20    8 o  964.976  149.288   15.166   4.3652   15.166   4.3652   0.0000   0.0000  964.976  149.288  ?   ?  0.000000 149.2885 
1 1 1   22   20   10 o  850.508  163.361   11.964   4.1924   11.964   4.1924   0.0000   0.0000  850.508  163.361  ?   ?  0.000000 163.3606 
1 1 1   22   20   12 o  615.321  174.381   6.2836   3.5134   6.2836   3.5134   0.0000   0.0000  615.321  174.381  ?   ?  0.000000 174.3806 
1 1 1   22   20   14 o  386.210  154.315   1.2749   2.8200   2.0327   2.9644  -5.9412   9.1475  421.067  161.070  519.707  240.040 -98.63974 289.0724 
1 1 1   22   20   16 o  401.451  189.235  -6.1242   6.1742 -15.3660   8.6614   3.4238   8.8037  409.741  200.639  646.094  267.173 -236.3533 334.1222 
1 1 1   22   20   20 f  664.114  246.957   6.6708   6.8583   10.765   9.8763   2.8580   9.5312  802.204  296.740  642.574  272.624 159.6301 402.9619 
1 1 1   22   20   22 o  480.791  191.768   2.4346   4.3474   2.7926   4.9273   1.1764   9.2367  510.012  203.911  601.623  261.918 -91.61093 331.9347 
1 1 1   22   20   24 o  679.962  212.218   8.1821   5.0108   5.6965   5.8341   15.171   9.7830  608.946  227.510  882.445  298.120 -273.4987 375.0150 
1 1 1   22   20   26 o  564.830  185.660   5.4323   3.7991   5.5514   4.1394   4.7960   9.5678  573.166  193.919  652.011  274.691 -78.84497 336.2435 
1 1 1   22   20   28 f  396.435  166.671   0.9147   3.5106   1.3463   3.7343  -2.3678   10.298  418.077  173.536  556.872  256.301 -138.7950 309.5238 
1 1 1   22   20   30 o  727.566  190.276   9.8010   4.3841   9.8010   4.3841   0.0000   0.0000  727.566  190.276  ?   ?  0.000000 190.2764 
1 1 1   22   21    1 o  573.212  195.227   4.8992   4.1957   4.8992   4.1957   0.0000   0.0000  573.212  195.227  ?   ?  0.000000 195.2267 
1 1 1   22   21    3 o  1224.02  150.257   24.157   5.6379   24.157   5.6379   0.0000   0.0000  1224.02  150.257  ?   ?  0.000000 150.2567 
1 1 1   22   21    5 o  663.116  196.564   7.1979   4.3731   7.1979   4.3731   0.0000   0.0000  663.116  196.564  ?   ?  0.000000 196.5642 
1 1 1   22   21    7 o  408.868  166.010   1.1481   3.3210   2.0484   3.5284  -5.8395   9.8301  448.054  174.561  550.965  252.407 -102.9108 306.8892 
1 1 1   22   21    9 o  565.721  180.744   5.0822   3.6154   5.3688   3.8911   3.2721   9.7790  582.187  187.668  681.477  281.676 -99.29077 338.4681 
1 1 1   22   21   11 o  533.516  179.401   4.3641   3.5426   5.3986   3.8072  -2.3093   9.6701  580.764  185.469  586.777  261.177 -6.013428 320.3312 
1 1 1   22   21   13 o  1090.73  134.556   19.302   4.4981   22.096   4.9744   6.7681   10.534  1166.78  138.884  754.761  299.309 412.0178 329.9618 
1 1 1   22   21   15 o  934.315  161.286   14.516   4.5480   12.951   5.0638   21.044   10.342  872.455  190.686  1076.31  297.127 -203.8590 353.0521 
1 1 1   22   21   17 o  286.492  132.913  -2.3348   2.8508  -2.3348   2.8508   0.0000   0.0000  286.492  132.913  ?   ?  0.000000 132.9132 
1 1 1   22   21   19 f  546.794  248.866  -3.5642   9.3562   0.0000   0.0000  -3.5642   9.3562  ?   ?   546.794  248.866 0.000000 248.8661 
1 1 1   22   21   21 o  627.391  270.516   1.8348   9.6648   0.0000   0.0000   1.8348   9.6648  ?   ?   627.391  270.516 0.000000 270.5162 
1 1 1   22   21   23 o  615.872  244.344   4.8480   7.0236   1.2599   10.121   8.1808   9.7546  623.334  272.693  735.315  289.150 -111.9815 397.4536 
1 1 1   22   21   25 o  503.889  198.804   3.0410   4.6255   2.9868   5.2149   3.2410   10.016  519.898  209.099  643.236  276.347 -123.3374 346.5399 
1 1 1   22   21   27 o  574.090  216.380   5.0469   5.3000   4.8280   6.0237   5.7972   11.152  582.411  227.756  692.039  294.298 -109.6277 372.1347 
1 1 1   22   21   29 o  355.386  156.298  -0.3438   3.3641  -1.8684   3.5323   14.535   11.035  330.161  151.272  829.161  312.278 -499.0004 346.9876 
1 1 1   22   22    0 o  722.075  188.498   8.6669   4.3077   8.4763   4.6352   9.8740   11.667  715.460  199.432  856.141  321.362 -140.6809 378.2152 
1 1 1   22   22    2 o  844.495  197.232   11.923   5.1210   11.923   5.1210   0.0000   0.0000  844.495  197.232  ?   ?  0.000000 197.2323 
1 1 1   22   22    4 o  445.891  181.389   1.3503   3.9741  -1.9433   4.3043   20.379   10.346  382.466  171.940  1085.44  296.164 -702.9766 342.4562 
1 1 1   22   22    6 o  590.003  186.224   5.5632   3.8470   7.2724   4.1389  -5.2878   10.428  662.922  189.753  576.564  262.540 86.35748 323.9341 
1 1 1   22   22    8 o  376.595  158.342   0.3790   3.1689  -0.7175   3.3388   10.338   10.062  356.058  156.172  829.450  300.671 -473.3924 338.8113 
1 1 1   22   22   10 o  964.013  151.226   15.230   4.4147   14.675   4.8258   18.081   10.930  940.655  170.101  1015.04  312.886 -74.38232 356.1352 
1 1 1   22   22   12 o  799.337  170.310   10.707   4.1323   11.512   4.4801   6.1172   10.696  827.519  178.171  747.381  299.855 80.13824 348.7955 
1 1 1   22   22   14 o  544.668  173.975   4.7633   3.3499   5.9633   3.5842  -3.5249   9.4196  599.648  177.998  557.857  252.234 41.79138 308.7155 
1 1 1   22   22   16 o  457.414  175.302   2.4581   3.5155   2.4581   3.5155   0.0000   0.0000  457.414  175.302  ?   ?  0.000000 175.3016 
1 1 1   22   22   18 o  531.433  185.514   4.2800   3.7971   6.9724   4.0961 -12.1678   10.124  642.226  190.205  483.340  231.872 158.8868 299.9037 
1 1 1   22   22   20 o  348.168  150.496  -0.1605   3.0063  -0.6138   3.1575   4.2350   9.8324  344.626  151.498  676.225  281.212 -331.5982 319.4249 
1 1 1   22   22   22 o  922.386  258.577   15.636   7.7690   15.831   11.188   15.454   10.797  918.093  318.550  909.010  313.081 9.082947 446.6473 
1 1 1   22   22   24 o  604.621  268.236   0.0001   10.118   0.0000   0.0000   0.0001   10.118  ?   ?   604.621  268.236 0.000000 268.2360 
1 1 1   22   22   26 o  470.091  231.840 -20.6376   12.247 -20.6376   12.247   0.0000   0.0000  470.091  231.840  ?   ?  0.000000 231.8403 
1 1 1   22   23    1 o  1309.10  138.152   27.514   5.5775   31.305   6.2436   12.536   12.410  1395.62  144.989  916.788  333.668 478.8323 363.8073 
1 1 1   22   23    3 o  1159.82  149.533   21.778   5.3041   21.044   5.9078   24.827   12.044  1133.96  171.761  1189.82  317.421 -55.85925 360.9121 
1 1 1   22   23    5 o  559.170  187.790   4.7764   3.8816   3.0168   4.1492   17.110   10.985  503.817  191.076  999.974  314.564 -496.1570 368.0500 
1 1 1   22   23    7 o  881.811  171.889   12.910   4.5756   12.753   4.9941   13.732   11.419  872.415  188.334  922.020  321.716 -49.60504 372.7879 
1 1 1   22   23    9 o  357.399  156.119  -0.5802   3.3064  -0.5802   3.3064   0.0000   0.0000  357.399  156.119  ?   ?  0.000000 156.1192 
1 1 1   22   23   11 o  935.167  159.005   14.430   4.4894   14.479   4.8967   14.171   11.243  932.487  174.107  922.741  319.383 9.746460 363.7560 
1 1 1   22   23   13 o  543.393  194.147   4.2442   4.1781   10.332   4.5282 -30.6204   10.837  781.074  187.518  393.889  197.901 387.1848 272.6309 
1 1 1   22   23   15 o  413.468  167.922   1.2651   3.3988   2.3967   3.5972  -8.1508   10.377  459.225  176.992  533.934  249.663 -74.70886 306.0351 
1 1 1   22   23   17 o  469.243  172.470   2.9687   3.3274   3.2793   3.5100   0.2146   10.451  486.950  177.418  636.292  277.764 -149.3423 329.5909 
1 1 1   22   23   19 o  500.747  177.683   3.6825   3.4938   4.1396   3.7042  -0.0004   10.515  523.803  183.210  630.947  276.934 -107.1439 332.0516 
1 1 1   22   23   21 o  447.463  172.064   2.3765   3.3939   2.1363   3.5617   4.7469   11.189  445.692  174.894  712.786  298.500 -267.0940 345.9629 
1 1 1   22   23   23 o  208.006  102.765  -5.3416   2.4437  -5.9303   2.5049   6.2803   11.129  204.975  101.754  728.985  300.832 -524.0107 317.5752 
1 1 1   22   24    0 o  415.824  180.585  -0.5417   4.3694  -2.1898   4.7323   8.9834   11.377  399.576  179.897  829.300  315.944 -429.7233 363.5706 
1 1 1   22   24    2 f  608.063  206.510   5.6140   4.6945   5.3754   5.1130   6.8952   11.848  609.234  215.082  798.275  317.152 -189.0410 383.2050 
1 1 1   22   24    4 o  945.295  169.592   14.736   4.8354   18.061   5.3531   0.0000   11.270  1049.21  168.654  671.975  290.924 377.2336 336.2753 
1 1 1   22   24    6 o  783.936  181.941   10.286   4.3800   12.390   4.7046  -3.4019   12.000  862.010  180.104  645.906  288.964 216.1036 340.4960 
1 1 1   22   24    8 o  530.100  185.012   4.1086   3.7765   4.5114   3.9880   0.6126   11.750  550.705  190.241  690.402  297.980 -139.6974 353.5309 
1 1 1   22   24   10 o  622.348  192.933   6.3061   4.1493   7.8214   4.4450  -3.9597   11.569  684.654  196.842  623.378  280.911 61.27631 343.0130 
1 1 1   22   24   12 o  680.373  201.241   7.7168   4.5875   7.9382   5.1191   6.8135   10.338  692.775  214.219  755.180  297.447 -62.40466 366.5580 
1 1 1   22   24   14 o  587.523  186.295   5.5831   3.8465   4.4940   4.1088   13.306   10.941  550.591  192.935  896.245  314.792 -345.6539 369.2123 
1 1 1   22   24   16 o  354.099  155.432  -0.6718   3.3129  -1.6063   3.4818   8.2631   10.766  341.796  154.056  784.203  305.085 -442.4072 341.7752 
1 1 1   22   24   18 f  890.133  167.844   13.286   4.5066   14.160   4.9171   8.6981   11.267  916.357  177.779  795.660  311.399 120.6971 358.5731 
1 1 1   22   24   20 o  338.293  151.274  -1.2019   3.2846  -0.9105   3.4517  -3.9944   10.686  354.677  157.042  583.650  265.768 -228.9738 308.6988 
1 1 1   22   24   22 f  603.553  197.007   6.0083   4.2804   6.0083   4.2804   0.0000   0.0000  603.553  197.007  ?   ?  0.000000 197.0068 
1 1 1   22   25    1 o  897.374  341.050   10.914   13.236   0.0000   0.0000   10.914   13.236  ?   ?   897.374  341.050 0.000000 341.0497 
1 1 1   22   25    3 o  1349.79  133.702   29.208   5.5766   28.516   6.0708   32.948   14.112  1329.98  148.299  1365.57  333.013 -35.58826 364.5412 
1 1 1   22   25    5 o  548.659  192.180   4.3678   4.0765   5.8367   4.3013  -8.5962   12.778  608.323  197.434  612.204  283.092 -3.881836 345.1396 
1 1 1   22   25    7 o  604.468  196.480   5.7672   4.2592   6.8714   4.5327  -2.5625   12.450  650.402  201.652  668.875  297.102 -18.47272 359.0726 
1 1 1   22   25    9 o  818.254  189.165   11.247   4.7498   13.458   5.1446  -1.5241   12.363  896.346  189.239  677.944  298.839 218.4021 353.7169 
1 1 1   22   25   11 o  458.659  179.648   2.1281   3.7523   0.9697   3.9707   11.797   11.472  433.302  179.325  878.115  320.621 -444.8124 367.3624 
1 1 1   22   25   13 o  248.210  121.748  -6.3626   3.2310  -6.0360   3.3818  -9.7797   10.939  261.530  127.479  539.612  253.594 -278.0817 283.8325 
1 1 1   22   25   15 o  509.730  183.920   3.6318   3.7587   2.8422   3.9932   9.7707   11.134  489.862  187.048  824.697  312.948 -334.8353 364.5867 
1 1 1   22   25   17 o  561.375  192.311   4.8370   4.0715   4.4779   4.3258   7.6247   12.052  554.335  197.604  795.222  318.569 -240.8871 374.8782 
1 1 1   22   25   19 o  258.513  124.476  -4.3971   2.9818  -3.9988   3.1008  -9.2922   10.870  272.466  130.062  535.438  251.998 -262.9722 283.5830 
1 1 1   22   26    0 o  965.591  354.144   13.876   14.019   13.876   14.019   0.0000   0.0000  965.591  354.144  ?   ?  0.000000 354.1438 
1 1 1   22   26    2 o  681.320  307.699  -5.4020   13.971   0.0000   0.0000  -5.4020   13.971  ?   ?   681.320  307.699 0.000000 307.6995 
1 1 1   22   26    4 o  843.081  303.944   10.546   10.262 -11.9359   15.189   29.427   13.920  649.710  303.218  1289.98  339.858 -640.2708 455.4609 
1 1 1   22   26    6 o  1112.82  273.940   21.342   9.4815   16.571   14.131   25.248   12.787  1013.51  357.593  1196.91  330.361 -183.4046 486.8374 
1 1 1   22   26    8 o  384.706  171.355  -1.4716   4.1704   0.2606   4.4285 -15.0460   12.397  437.026  185.643  542.452  259.251 -105.4255 318.8649 
1 1 1   22   26   10 o  661.308  205.688   7.1157   4.7117   7.9372   5.1186   2.5569   12.058  695.560  214.066  727.928  307.617 -32.36786 374.7698 
1 1 1   22   26   12 f  706.295  191.512   8.3636   4.3421   8.5497   4.6553   7.1185   12.041  714.332  200.128  798.989  319.005 -84.65680 376.5840 
1 1 1   22   26   14 o  278.073  134.262  -5.4579   3.5284  -5.9310   3.7198  -1.2127   11.143  283.018  136.950  645.136  284.079 -362.1179 315.3673 
1 1 1   22   27    1 o  991.221  365.382   14.506   14.949   0.0000   0.0000   14.506   14.949  ?   ?   991.221  365.382 0.000000 365.3824 
1 1 1   22   27    3 o  1007.98  342.303   16.569   12.898   0.0000   0.0000   16.569   12.898  ?   ?   1007.98  342.303 0.000000 342.3033 
1 1 1   22   27    5 o  733.009  313.828   1.1716   12.837   0.0000   0.0000   1.1716   12.837  ?   ?   733.009  313.828 0.000000 313.8283 
1 1 1   22   27    7 o  697.201  302.628  -0.2384   12.259   0.0000   0.0000  -0.2384   12.259  ?   ?   697.201  302.628 0.000000 302.6277 
1 1 1   22   27    9 o  621.559  260.857   1.7155   8.5748  -3.1356   13.375   5.1009   11.173  688.397  306.728  750.888  304.634 -62.49091 432.3011 
1 1 1   22   27   11 o  366.105  164.764  -1.8268   3.9652  -1.1521   4.1971  -7.4324   12.097  392.766  173.575  602.831  277.579 -210.0650 327.3813 
1 1 1   22   28    0 o  582.035  275.347 -14.0339   13.289   0.0000   0.0000 -14.0339   13.289  ?   ?   582.035  275.347 0.000000 275.3473 
1 1 1   22   28    2 o  917.126  346.456   11.360   13.607   0.0000   0.0000   11.360   13.607  ?   ?   917.126  346.456 0.000000 346.4557 
1 1 1   22   28    4 o  818.329  296.042   9.6694   9.7478   36.846   14.585 -12.2716   13.105  1455.17  327.938  590.869  277.645 864.2960 429.6855 
1 1 1   23    0    1 o  2262.35  165.897   83.300   11.607   83.300   11.607   83.300   11.607  2262.35  165.897  2262.35  165.897 -0.000000 0.000000 
1 1 1   23    0    3 o  1207.53  153.420   24.356   5.5457   24.356   5.5457   24.356   5.5457  1207.53  153.420  1207.53  153.420 -0.000000 0.000000 
1 1 1   23    0    5 f  1596.80  152.266   41.838   7.4542   41.838   7.4542   41.838   7.4542  1596.80  152.266  1596.80  152.266 -0.000000 0.000000 
1 1 1   23    0    7 o  360.176  185.204   3.0811   2.6642   3.0811   2.6642   3.0811   2.6642  360.176  185.204  360.176  185.204 -0.000000 0.000000 
1 1 1   23    0    9 o  2999.04  189.943  147.879   17.673  147.879   17.673  147.879   17.673  2999.04  189.943  2999.04  189.943 -0.000000 0.000000 
1 1 1   23    0   11 o  316.885  177.835   2.2214   2.6638   2.2214   2.6638   2.2214   2.6638  316.885  177.835  316.885  177.835 -0.000000 0.000000 
1 1 1   23    0   13 o  1209.53  156.273   24.580   5.6465   24.580   5.6465   24.580   5.6465  1209.53  156.273  1209.53  156.273 -0.000000 0.000000 
1 1 1   23    0   15 o  203.377  134.017  -0.3848   2.1841  -0.3848   2.1841  -0.3848   2.1841  203.377  134.017  203.377  134.017 -0.000000 0.000000 
1 1 1   23    0   17 o  286.265  172.475   1.3562   2.8105   1.3562   2.8105   1.3562   2.8105  286.265  172.475  286.265  172.475 -0.000000 0.000000 
1 1 1   23    0   19 o  165.220  115.458  -2.1439   2.2009  -2.1439   2.2009  -2.1439   2.2009  165.220  115.458  165.220  115.458 -0.000000 0.000000 
1 1 1   23    0   25 o  978.602  193.359   17.036   5.2676   17.036   5.2676   17.036   5.2676  978.602  193.359  978.602  193.359 -0.000000 0.000000 
1 1 1   23    0   27 o  802.203  216.163   12.348   4.6927   12.348   4.6927   12.348   4.6927  802.203  216.163  802.203  216.163 -0.000000 0.000000 
1 1 1   23    0   31 o  1282.06  179.067   27.970   6.7871   27.970   6.7871   27.970   6.7871  1282.06  179.067  1282.06  179.067 -0.000000 0.000000 
1 1 1   23    0   35 o  255.121  176.515  -3.3832   4.8156  -3.3832   4.8156  -3.3832   4.8156  255.121  176.515  255.121  176.515 -0.000000 0.000000 
1 1 1   23    1    0 o  2064.31  110.494   68.302   7.1163   72.747   10.131   63.974   9.9977  2107.64  154.595  1970.68  163.496 136.9570 225.0127 
1 1 1   23    1    2 o  1451.59  103.558   33.783   4.6761   33.151   6.6270   34.409   6.5992  1419.25  151.460  1447.89  147.624 -28.63940 211.5016 
1 1 1   23    1    4 f  2231.52  113.256   80.045   7.8877   71.237   11.094   89.051   11.217  2069.42  172.783  2328.30  154.743 -258.8821 231.9467 
1 1 1   23    1    6 o  1092.41  105.336   19.270   3.5585   18.353   4.9157   20.279   5.1579  1047.99  154.430  1102.89  153.519 -54.90686 217.7539 
1 1 1   23    1    8 o  464.205  152.365   3.4562   2.5590   3.4562   2.5590   0.0000   0.0000  464.205  152.365  ?   ?  0.000000 152.3655 
1 1 1   23    1   10 o  960.878  158.808   15.670   4.6112   0.0000   0.0000   15.670   4.6112  ?   ?   960.878  158.808 0.000000 158.8078 
1 1 1   23    1   12 o  934.266  112.499   14.287   3.2249   12.816   4.5437   15.780   4.5779  859.014  174.869  963.987  157.071 -104.9721 235.0544 
1 1 1   23    1   14 o  280.322  117.387   0.2959   1.7303   0.8692   2.5496  -0.1934   2.3558  352.394  144.540  305.421  132.618 46.97311 196.1613 
1 1 1   23    1   16 o  1719.32  108.838   47.781   5.8292   51.647   8.2333   43.894   8.2541  1763.13  150.576  1614.90  165.575 148.2357 223.8041 
1 1 1   23    1   18 o  875.122  115.269   12.561   3.0818   11.972   4.3275   13.168   4.3898  832.607  171.691  876.610  166.003 -44.00366 238.8197 
1 1 1   23    1   20 o  442.164  135.907   3.2225   2.0640   1.8496   3.2464   4.1540   2.6740  419.329  166.198  499.061  154.908 -79.73236 227.1966 
1 1 1   23    1   22 o  1678.70   91.060   45.231   4.7686   43.965   8.0482   45.916   5.9196  1613.57  161.460  1680.30  113.168 -66.72778 197.1704 
1 1 1   23    1   24 o  985.674   96.380   15.767   2.9366   21.719   5.0349   12.698   3.6152  1135.45  144.917  867.581  137.676 267.8715 199.8893 
1 1 1   23    1   26 o  391.183  133.954   2.3841   1.9754   3.6258   3.3454   1.7194   2.4477  482.908  173.600  377.343  145.840 105.5643 226.7297 
1 1 1   23    1   28 o  947.002  126.185   15.043   3.6486   15.311   5.1170   14.765   5.2039  923.639  183.398  902.374  190.172 21.26550 264.1973 
1 1 1   23    1   30 o  877.557  134.044   13.186   3.5665   11.476   4.8643   15.175   5.2447  779.993  198.630  905.830  190.927 -125.8368 275.5120 
1 1 1   23    1   32 o  658.448  171.395   8.1669   3.5681   10.051   4.8023   5.8451   5.3312  708.204  204.888  564.216  215.962 143.9880 297.6890 
1 1 1   23    1   34 o  203.459  101.438  -6.0183   2.6013  -6.0183   2.6013   0.0000   0.0000  203.459  101.438  ?   ?  0.000000 101.4382 
1 1 1   23    1   36 o  1566.36  131.117   45.416   6.3717   45.416   6.3717   0.0000   0.0000  1566.36  131.117  ?   ?  0.000000 131.1171 
1 1 1   23    1   38 o  388.978  166.069   2.5446   3.5764   2.5446   3.5764   0.0000   0.0000  388.978  166.069  ?   ?  0.000000 166.0690 
1 1 1   23    1   40 o  217.026  108.938  -6.8945   3.2431  -6.8945   3.2431   0.0000   0.0000  217.026  108.938  ?   ?  0.000000 108.9384 
1 1 1   23    1   44 o  340.304  160.571   2.9565   4.4657  -1.1526   5.5076   10.843   7.6300  304.112  150.954  404.012  195.660 -99.90033 247.1230 
1 1 1   23    2    1 o  381.051  124.266   2.2641   1.7032   1.2709   2.1892   3.7871   2.7110  351.532  137.348  485.858  156.648 -134.3254 208.3343 
1 1 1   23    2    3 o  727.813   95.424   8.5682   2.1223   8.6863   2.6197   8.3427   3.6200  726.656  119.275  698.951  167.574 27.70551 205.6879 
1 1 1   23    2    5 o  2191.84  115.141   77.371   7.8747   83.773   11.107   70.902   11.166  2253.47  158.417  2061.05  174.664 192.4175 235.8035 
1 1 1   23    2    7 o  425.358  125.224   2.9834   1.7800   6.3151   2.2637  -2.4136   2.8811  615.416  121.783  285.286  132.779 330.1305 180.1704 
1 1 1   23    2    9 f  1715.76  155.890   49.047   8.2837   0.0000   0.0000   49.047   8.2837  ?   ?   1715.76  155.890 0.000000 155.8898 
1 1 1   23    2   11 o  1212.64   88.981   23.594   3.3551   20.125   4.0017   31.800   6.1556  1109.55  116.942  1383.53  144.209 -273.9819 185.6658 
1 1 1   23    2   13 o  801.492   82.593   10.332   2.0431   8.4003   2.8836   12.280   2.8952  705.933  135.381  866.542  109.122 -160.6094 173.8837 
1 1 1   23    2   15 o  929.786   80.176   13.844   2.3114   10.106   3.3226   17.349   3.2176  773.926  142.354  1035.47  100.504 -261.5469 174.2577 
1 1 1   23    2   17 o  1424.64   76.067   32.296   3.3810   30.534   4.7721   34.071   4.7908  1372.26  112.038  1452.54  106.066 -80.27979 154.2811 
1 1 1   23    2   19 o  406.133  120.651   2.7163   1.6462   4.2811   2.3023   1.0793   2.3548  503.423  140.635  350.356  140.652 153.0672 198.8997 
1 1 1   23    2   21 o  289.591  115.975   0.7155   1.5968   0.3892   2.1868   1.0881   2.3370  314.180  131.789  349.189  140.140 -35.00867 192.3733 
1 1 1   23    2   23 o  1227.92   79.303   24.119   3.0328   24.163   4.1790   24.070   4.4083  1216.88  110.892  1211.45  117.698 5.428223 161.7091 
1 1 1   23    2   25 o  886.589   90.230   12.735   2.4700   12.228   3.3499   13.340   3.6564  853.877  129.341  889.790  135.514 -35.91290 187.3320 
1 1 1   23    2   27 f  663.371  156.370   7.7150   3.1950   9.3535   4.4361   5.9488   4.6055  716.276  193.305  587.802  204.361 128.4749 281.3015 
1 1 1   23    2   29 o  801.052  101.181   10.580   2.4813   10.965   3.3647   10.121   3.6739  798.617  139.636  756.532  160.083 42.08514 212.4261 
1 1 1   23    2   31 o  950.236   93.542   14.847   2.7472   14.298   3.8148   15.439   3.9595  907.540  138.640  944.009  138.030 -36.46863 195.6355 
1 1 1   23    2   33 o  498.332  156.395   4.6172   2.7171  -0.0000   4.7238   6.9001   3.3216  401.209  180.267  597.802  169.601 -196.5939 247.5087 
1 1 1   23    2   35 o  533.991  153.786   5.6232   2.7111   7.3504   3.4815   2.9624   4.3212  593.659  175.232  438.469  184.658 155.1900 254.5679 
1 1 1   23    2   37 o  248.083  118.632  -2.3641   2.6034  -3.8113   4.4378  -1.6046   3.2147  307.429  148.969  291.539  137.158 15.89011 202.4949 
1 1 1   23    2   39 o  401.921  158.078   3.4107   2.9160   6.6959   3.8431  -1.0469   4.4767  507.618  185.539  331.994  157.860 175.6241 243.6073 
1 1 1   23    2   41 o  795.648  198.834   17.395   4.9398   17.395   4.9398   0.0000   0.0000  795.648  198.834  ?   ?  0.000000 198.8341 
1 1 1   23    2   43 o  216.852  107.744  -4.1422   2.8322  -1.0019   6.6291  -4.8435   3.1325  329.004  163.691  222.007  110.787 106.9974 197.6573 
1 1 1   23    3    0 o  1139.05   88.212   20.703   3.1217   20.229   3.8532   21.610   5.3252  1119.60  111.389  1143.34  152.551 -23.73706 188.8896 
1 1 1   23    3    2 o  1933.71   90.020   59.395   5.4507   62.131   6.7358   54.204   9.2772  1968.06  109.741  1810.25  165.498 157.8019 198.5766 
1 1 1   23    3    4 o  600.135  110.715   5.9411   2.0039   6.3699   2.5533   5.2534   3.2335  615.799  136.044  560.263  169.697 55.53613 217.4970 
1 1 1   23    3    6 o  852.798  111.325   11.858   2.9018   13.190   4.0845   10.501   4.1234  885.904  152.759  781.468  173.072 104.4354 230.8445 
1 1 1   23    3    8 o  1106.72  111.703   19.898   3.8180   22.418   5.8304   18.006   5.0518  1151.49  166.541  1032.25  161.596 119.2347 232.0547 
1 1 1   23    3   10 o  971.404   79.354   15.092   2.3926   15.052   3.3744   15.133   3.3930  959.326  114.605  961.812  114.939 -2.486267 162.3120 
1 1 1   23    3   12 o  1445.49   86.824   33.434   3.9116   31.252   4.7762   37.878   6.8167  1387.95  110.823  1510.31  145.961 -122.3572 183.2657 
1 1 1   23    3   14 f  265.796  110.680   0.3011   1.5260   0.2797   1.8019   0.3552   2.8695  284.988  119.590  353.167  149.699 -68.17908 191.6028 
1 1 1   23    3   16 o  937.850   81.541   14.083   2.3707   11.950   3.3142   16.317   3.3926  849.097  128.687  1001.48  109.998 -152.3863 169.2927 
1 1 1   23    3   18 o  903.498   82.276   13.082   2.3021   13.047   3.2638   13.117   3.2476  890.943  120.049  893.755  119.005 -2.811768 169.0381 
1 1 1   23    3   20 o  734.935   91.091   8.7495   2.0513   5.4120   2.8646   12.262   2.9388  562.481  156.779  865.728  110.964 -303.2466 192.0749 
1 1 1   23    3   22 o  671.185  140.255   7.6647   2.8527   7.6647   2.8527   0.0000   0.0000  671.185  140.255  ?   ?  0.000000 140.2547 
1 1 1   23    3   24 o  685.368   99.750   7.7104   2.0779   5.3482   2.8364   10.447   3.0527  556.211  156.349  789.604  127.838 -233.3928 201.9592 
1 1 1   23    3   26 o  840.364   97.766   11.530   2.5245   12.027   3.1757   10.676   4.1613  848.795  123.076  775.687  175.436 73.10797 214.3021 
1 1 1   23    3   28 o  1167.91   84.449   21.992   3.0675   23.095   4.3021   20.851   4.3750  1181.20  117.892  1116.85  127.380 64.34790 173.5634 
1 1 1   23    3   30 o  781.857  123.659   10.381   2.9267   7.4572   4.9113   11.991   3.6445  631.065  211.240  829.846  145.564 -198.7805 256.5364 
1 1 1   23    3   32 o  559.031  145.589   5.6717   2.5737   3.6130   3.2471   9.1510   4.2212  464.198  170.412  684.303  190.166 -220.1048 255.3497 
1 1 1   23    3   34 o  276.507  123.422  -0.3469   2.1759   3.4132   2.8683  -5.4443   3.3397  437.524  160.233  251.412  123.412 186.1122 202.2502 
1 1 1   23    3   36 o  580.770  139.775   6.5414   2.5112   6.4486   3.5093   6.6388   3.5949  543.027  178.436  548.860  180.612 -5.833496 253.8894 
1 1 1   23    3   38 o  447.833  160.055   4.3432   2.8398  -1.6838   3.8492   11.542   4.2067  310.340  147.216  695.932  188.419 -385.5914 239.1117 
1 1 1   23    3   40 o  716.423  167.880   11.928   3.7002   11.790   4.5408   12.202   6.3839  644.452  202.166  559.122  228.951 85.33002 305.4336 
1 1 1   23    3   42 o  351.064  152.026   2.5687   3.0791   2.5145   4.3928   2.6211   4.3172  359.433  166.129  360.766  166.008 -1.332733 234.8566 
1 1 1   23    3   44 o  441.396  181.363   7.4305   4.0230   24.927   7.1914  -0.5392   4.8535  645.814  249.874  302.287  148.464 343.5268 290.6515 
1 1 1   23    4    1 o  1240.74   88.180   24.550   3.4035   23.697   4.2494   26.075   5.6844  1211.72  113.314  1259.29  146.921 -47.57349 185.5423 
1 1 1   23    4    3 o  1066.59   91.070   18.210   3.0123   17.013   3.7649   20.339   5.0219  1022.48  119.867  1108.80  148.363 -86.32422 190.7343 
1 1 1   23    4    5 o  1194.27   87.145   22.783   3.2363   25.301   4.0218   18.158   5.4511  1253.94  103.351  1034.27  174.532 219.6736 202.8373 
1 1 1   23    4    7 o  1344.86  109.891   29.236   4.5872   25.280   6.6719   32.782   6.3171  1218.09  180.379  1408.64  145.306 -190.5519 231.6252 
1 1 1   23    4    9 o  1378.11   75.845   30.218   3.2603   27.969   4.5388   32.616   4.6863  1313.50  111.404  1421.29  106.064 -107.7870 153.8195 
1 1 1   23    4   11 o  878.742   82.545   12.389   2.2446   9.2420   3.1993   15.440   3.1501  739.279  143.380  975.177  104.809 -235.8978 177.6024 
1 1 1   23    4   13 o  794.824  101.448   10.281   2.4672   10.426   2.9523   9.9459   4.4927  793.784  122.737  751.540  190.626 42.24432 226.7215 
1 1 1   23    4   15 o  1008.75   78.257   16.245   2.4525   16.238   3.4668   16.252   3.4699  998.326  112.886  998.743  112.939 -0.4176025 159.6829 
1 1 1   23    4   17 o  1195.79   76.764   22.771   2.8591   23.560   3.9873   21.937   4.1019  1207.14  106.584  1161.80  114.232 45.34583 156.2342 
1 1 1   23    4   19 o  218.450  101.395  -1.3882   1.6620  -0.9429   3.0979  -1.5682   1.9694  330.960  147.531  239.181  110.790 91.77893 184.4985 
1 1 1   23    4   21 o  446.493  118.966   3.3446   1.6932   0.4190   2.4211   6.1453   2.3689  329.573  138.479  603.460  129.260 -273.8866 189.4323 
1 1 1   23    4   23 o  647.460  100.998   6.8928   1.9808   5.9758   2.7443   7.8901   2.8618  589.083  148.748  681.142  138.890 -92.05920 203.5099 
1 1 1   23    4   25 o  340.021  122.713   1.6300   1.6734  -1.8090   2.4321   4.7217   2.3060  266.284  123.265  524.808  138.361 -258.5239 185.3056 
1 1 1   23    4   27 o  1411.49   90.534   32.143   3.9803   34.436   4.9540   27.967   6.6853  1451.24  109.832  1268.22  172.851 183.0200 204.7943 
1 1 1   23    4   29 o  625.417  126.411   6.6906   2.3904   7.4679   3.0912   5.5346   3.7700  650.442  154.137  560.748  184.979 89.69427 240.7807 
1 1 1   23    4   31 o  1392.28   93.066   31.748   4.0339   33.397   5.0650   28.888   6.6706  1411.58  115.606  1262.72  173.280 148.8611 208.3042 
1 1 1   23    4   33 o  1198.94   98.752   24.120   3.6744   25.306   4.6975   22.251   5.8975  1203.20  126.582  1071.67  182.275 131.5371 221.9172 
1 1 1   23    4   35 o  217.331  104.347  -2.4277   2.0598  -0.1995   2.9645  -4.5076   2.8641  317.752  142.784  234.915  115.104 82.83749 183.4023 
1 1 1   23    4   37 o  689.283  172.841   10.315   3.7237   13.869   6.0474   8.1442   4.7258  696.075  234.394  563.526  205.781 132.5490 311.9074 
1 1 1   23    4   39 o  467.740  181.495   5.4740   3.8024   5.4740   3.8024   0.0000   0.0000  467.740  181.495  ?   ?  0.000000 181.4950 
1 1 1   23    4   41 o  314.054  145.029   0.4292   3.3371  -0.3444   6.0387   0.7693   4.0040  352.781  171.599  335.075  156.145 17.70639 232.0072 
1 1 1   23    4   43 o  428.153  168.013   5.4823   3.2870   4.0242   4.7548   6.8169   4.5490  373.285  172.639  430.114  185.522 -56.82922 253.4224 
1 1 1   23    5    0 f  1627.05   87.419   42.112   4.4374   45.812   5.4950   35.176   7.5234  1691.69  104.244  1455.46  168.178 236.2339 197.8653 
1 1 1   23    5    2 o  752.202   99.375   9.1645   2.2833   10.292   2.8761   7.2426   3.7551  792.380  119.644  650.696  178.792 141.6837 215.1314 
1 1 1   23    5    4 o  690.104  104.092   7.7714   2.1794   8.0135   2.7283   7.3444   3.6227  693.715  130.388  654.236  173.868 39.47900 217.3278 
1 1 1   23    5    6 o  766.970  129.483   9.7657   2.9989   10.951   4.4470   8.7769   4.0614  794.808  182.532  711.260  181.699 83.54852 257.5511 
1 1 1   23    5    8 o  438.736  120.024   3.2109   1.6966   2.0287   2.2594   4.7393   2.5690  386.983  142.138  529.372  148.796 -142.3885 205.7749 
1 1 1   23    5   10 o  1493.87   74.234   35.382   3.4724   36.134   4.8617   34.598   4.9614  1497.22  104.354  1462.97  109.089 34.25525 150.9641 
1 1 1   23    5   12 o  1110.19   76.073   19.639   2.6286   20.367   3.7238   18.916   3.7110  1121.21  107.381  1078.76  111.469 42.45203 154.7771 
1 1 1   23    5   14 o  548.328  122.121   5.0399   2.0430   4.8839   2.4711   5.3768   3.6315  537.089  143.991  567.283  181.136 -30.19409 231.3951 
1 1 1   23    5   16 o  707.526   96.312   8.1299   2.0783   7.8017   2.8270   8.5159   3.0657  681.248  137.273  710.809  142.700 -29.56110 198.0076 
1 1 1   23    5   18 o  706.300   95.065   8.0984   2.0491   6.4055   2.8957   9.7961   2.8999  612.762  151.723  769.219  124.664 -156.4570 196.3693 
1 1 1   23    5   20 o  752.991   91.735   9.1770   2.1182   8.5492   2.9400   9.8547   3.0545  712.877  136.683  768.360  131.697 -55.48303 189.8058 
1 1 1   23    5   22 o  1528.98   88.902   37.464   4.2379   38.907   5.2149   34.658   7.2724  1549.80  108.140  1430.82  165.369 118.9833 197.5882 
1 1 1   23    5   24 o  380.104  145.630   1.7672   2.4257   1.7672   2.4257   0.0000   0.0000  380.104  145.630  ?   ?  0.000000 145.6298 
1 1 1   23    5   26 o  182.650   87.815  -2.1135   1.4702  -3.1055   2.0443  -1.0506   2.1160  211.263  102.052  262.628  119.075 -51.36493 156.8234 
1 1 1   23    5   28 o  692.715  117.679   8.0546   2.4612   5.9441   3.2114   11.059   3.8314  580.222  167.458  795.152  159.435 -214.9296 231.2174 
1 1 1   23    5   30 o  271.705  118.774  -0.2016   1.9169  -3.1523   2.6998   2.7980   2.7221  254.727  121.530  427.677  156.176 -172.9498 197.8905 
1 1 1   23    5   32 f  827.578  110.460   11.645   2.7910   9.6351   3.5571   14.864   4.5016  720.294  161.680  895.451  166.685 -175.1571 232.2160 
1 1 1   23    5   34 o  361.322  138.352   1.9759   2.1885   3.6637   3.1877   0.4711   3.0099  450.244  168.179  341.004  148.956 109.2401 224.6601 
1 1 1   23    5   36 o  1246.89  104.320   27.208   4.0356   27.566   5.2150   26.673   6.3713  1205.53  140.807  1113.41  189.540 92.11267 236.1185 
1 1 1   23    5   38 o  236.843  114.644  -2.9373   2.6118  -1.5899   3.1737  -5.7645   4.5974  286.475  135.230  287.859  141.982 -1.384399 196.0768 
1 1 1   23    5   40 o  621.051  157.663   8.6840   3.0715   2.7707   6.8100   10.194   3.4414  405.880  193.471  663.634  166.023 -257.7535 254.9405 
1 1 1   23    5   42 o  463.488  164.215   5.7022   2.9831   11.555   6.8151   4.3150   3.3179  486.796  217.774  403.629  165.141 83.16727 273.3080 
1 1 1   23    5   44 o  394.583  157.168   4.5789   2.9165   9.3373   5.0861   2.2478   3.5599  448.469  194.798  327.635  150.758 120.8338 246.3208 
1 1 1   23    6    1 o  1488.28   88.365   35.281   4.0995   33.950   5.0712   37.791   6.9642  1452.19  112.399  1517.61  148.455 -65.41785 186.2053 
1 1 1   23    6    3 o  1209.09   88.124   23.344   3.3134   23.780   4.1145   22.538   5.5887  1214.09  109.405  1163.66  157.421 50.43005 191.7050 
1 1 1   23    6    5 o  505.288  183.948   3.6902   3.7720   3.6902   3.7720   0.0000   0.0000  505.288  183.948  ?   ?  0.000000 183.9479 
1 1 1   23    6    7 o  602.644  133.480   6.1162   2.4524   3.2904   3.3394   9.4246   3.6133  477.418  173.188  743.058  160.027 -265.6400 235.8025 
1 1 1   23    6    9 o  541.377  110.943   4.8734   1.8175   4.0415   2.5373   5.7501   2.6047  493.401  150.517  581.912  143.783 -88.51132 208.1561 
1 1 1   23    6   11 o  1459.48   88.744   34.038   4.0364   31.861   4.9126   38.560   7.0810  1403.15  112.766  1526.20  150.114 -123.0530 187.7507 
1 1 1   23    6   13 o  1480.16   88.988   34.986   4.1052   32.796   5.0587   39.211   7.0254  1423.79  114.436  1541.99  147.294 -118.2017 186.5239 
1 1 1   23    6   15 o  1714.95   88.390   46.895   4.7303   45.603   5.8354   49.371   8.0782  1682.17  111.417  1730.70  150.564 -48.53223 187.3055 
1 1 1   23    6   17 o  290.981  118.457   0.5790   1.6964  -2.3904   2.1448   5.5400   2.7723  234.276  110.766  571.184  152.242 -336.9076 188.2735 
1 1 1   23    6   19 o  655.448  114.669   7.1045   2.2677   4.9065   2.8628   10.807   3.7155  539.209  158.827  798.420  154.198 -259.2117 221.3667 
1 1 1   23    6   21 o  710.654  130.616   8.4598   2.7994   8.4694   4.0738   8.4512   3.8533  695.016  184.219  696.069  176.531 -1.053223 255.1464 
1 1 1   23    6   23 o  645.532  120.695   6.9687   2.3499   5.3034   2.9666   9.7739   3.8502  556.005  161.085  749.774  168.144 -193.7692 232.8539 
1 1 1   23    6   25 o  1768.50   90.142   50.215   4.9751   53.097   6.1829   44.922   8.3795  1807.96  109.734  1624.21  167.150 183.7520 199.9517 
1 1 1   23    6   27 o  1348.95   92.385   29.377   3.8787   28.346   4.8740   31.157   6.4053  1311.51  120.015  1354.63  153.731 -43.11267 195.0302 
1 1 1   23    6   29 f  1828.63   94.715   54.266   5.4047   53.360   6.7526   55.880   9.0157  1793.57  120.942  1796.61  162.003 -3.043335 202.1684 
1 1 1   23    6   31 f  586.607  125.274   6.0006   2.2311   8.9467   3.0944   2.8109   3.2198  709.342  144.230  436.825  167.683 272.5173 221.1784 
1 1 1   23    6   33 f  457.701  159.921   3.7886   2.8220   5.9152   3.2110  -3.4262   5.9144  551.844  169.500  384.793  182.520 167.0510 249.0855 
1 1 1   23    6   35 o  384.987  136.150   2.6214   2.0497   10.909   3.2170  -3.0419   2.6594  762.334  139.923  244.533  117.697 517.8018 182.8415 
1 1 1   23    6   37 o  296.147  134.879  -0.4004   2.7542   5.6201   3.3870 -12.1519   4.7320  502.690  175.225  247.701  125.203 254.9888 215.3596 
1 1 1   23    6   39 o  556.922  140.820   6.4212   2.4572   5.9227   4.3292   6.6581   2.9845  476.647  190.934  541.691  162.798 -65.04349 250.9165 
1 1 1   23    6   41 o  347.129  149.914   2.0864   2.9778   0.0000   0.0000   2.0864   2.9778  ?   ?   347.129  149.914 0.000000 149.9141 
1 1 1   23    6   43 o  402.329  155.595   4.3065   2.7875   9.5252   5.0203   1.9804   3.3516  482.963  200.900  332.055  150.269 150.9084 250.8818 
1 1 1   23    7    0 o  680.740  109.312   7.5826   2.2512   7.1012   2.6021   9.0153   4.4888  652.544  131.885  722.218  194.259 -69.67346 234.7977 
1 1 1   23    7    2 o  680.783  127.629   7.6993   2.6207   7.6993   2.6207   0.0000   0.0000  680.783  127.629  ?   ?  0.000000 127.6285 
1 1 1   23    7    4 o  1084.19  111.446   19.035   3.7296   19.035   3.7296   0.0000   0.0000  1084.19  111.446  ?   ?  0.000000 111.4457 
1 1 1   23    7    6 o  985.320  114.722   15.799   3.4732   15.799   3.4732   0.0000   0.0000  985.320  114.722  ?   ?  0.000000 114.7223 
1 1 1   23    7    8 o  515.720  167.819   4.3256   3.1069   4.3256   3.1069   0.0000   0.0000  515.720  167.819  ?   ?  0.000000 167.8191 
1 1 1   23    7   10 o  921.865  100.181   13.727   2.8453   11.633   3.3810   18.807   5.2670  837.707  133.368  1056.78  164.525 -219.0746 211.7906 
1 1 1   23    7   12 o  453.967  132.019   3.4103   1.9892   3.3022   2.2877   3.7451   4.0274  452.394  143.696  514.672  189.659 -62.27728 237.9480 
1 1 1   23    7   14 o  908.818  134.979   13.639   3.7245   8.0304   5.1104   19.993   5.4393  683.954  214.457  1092.01  164.154 -408.0519 270.0715 
1 1 1   23    7   16 o  901.981  105.296   13.176   2.9179   11.435   3.4730   17.354   5.3806  829.316  138.634  1010.45  176.480 -181.1375 224.4209 
1 1 1   23    7   18 o  690.014  144.685   8.0372   3.0262   12.078   5.0273   5.7412   3.7897  830.903  196.339  585.158  184.848 245.7454 269.6625 
1 1 1   23    7   20 o  1270.19   81.693   25.739   3.2319   24.358   4.5186   27.185   4.6244  1222.58  119.567  1293.85  115.355 -71.27124 166.1411 
1 1 1   23    7   22 o  472.795  128.631   3.7617   1.9549   5.6989   2.6947   1.6093   2.8405  577.263  148.292  393.752  155.651 183.5115 214.9833 
1 1 1   23    7   24 o  531.161  133.187   4.7967   2.2111   2.3137   2.9047   8.2180   3.4096  422.098  159.923  688.792  160.982 -266.6942 226.9151 
1 1 1   23    7   26 o  561.065  122.772   5.3244   2.0970   7.1854   2.9380   3.3919   2.9939  645.588  148.440  467.487  164.632 178.1011 221.6713 
1 1 1   23    7   28 o  619.202  117.427   6.4654   2.1934   6.6947   3.0801   6.2294   3.1244  616.544  158.630  594.079  163.025 22.46552 227.4655 
1 1 1   23    7   30 o  617.072  119.495   6.5211   2.2255   6.0473   3.1435   6.9972   3.1511  577.493  165.388  622.025  160.658 -44.53204 230.5735 
1 1 1   23    7   32 o  671.112  123.470   7.8911   2.4990   8.7163   3.7037   7.2015   3.3859  673.359  174.303  613.842  170.218 59.51666 243.6302 
1 1 1   23    7   34 o  557.480  137.864   5.8047   2.3931   9.6153   4.3451   4.1455   2.8671  670.169  195.182  467.259  161.312 202.9100 253.2145 
1 1 1   23    7   36 o  805.180  173.258   13.486   4.2387   4.5700   8.8661   16.127   4.8259  500.454  232.924  870.482  182.868 -370.0278 296.1321 
1 1 1   23    7   38 o  511.394  169.029   5.8928   3.1473   0.0000   0.0000   5.8928   3.1473  ?   ?   511.394  169.029 0.000000 169.0289 
1 1 1   23    7   40 o  486.995  160.917   5.5429   2.8526   10.434   5.6663   3.8826   3.3014  553.034  219.451  413.548  166.355 139.4858 275.3780 
1 1 1   23    7   42 o  525.389  159.649   6.8472   2.8586   8.9587   5.2858   5.9743   3.3984  486.122  204.453  461.342  173.389 24.78003 268.0760 
1 1 1   23    8    1 o  397.688  125.982   2.5200   1.7594   2.9189   2.0837   1.5293   3.2838  428.092  137.261  413.842  166.109 14.24991 215.4828 
1 1 1   23    8    3 o  1298.57  110.081   27.186   4.4339   27.186   4.4339   0.0000   0.0000  1298.57  110.081  ?   ?  0.000000 110.0810 
1 1 1   23    8    5 f  640.754  132.914   6.8741   2.5793   6.8741   2.5793   0.0000   0.0000  640.754  132.914  ?   ?  0.000000 132.9138 
1 1 1   23    8    7 o  870.794  117.867   12.393   3.1312   12.393   3.1312   0.0000   0.0000  870.794  117.867  ?   ?  0.000000 117.8665 
1 1 1   23    8    9 o  464.498  167.004   3.1075   3.0961   3.1075   3.0961   0.0000   0.0000  464.498  167.004  ?   ?  0.000000 167.0040 
1 1 1   23    8   11 o  1212.25   78.072   23.356   2.9477   21.292   4.1407   25.478   4.1973  1146.45  116.986  1258.14  107.578 -111.6952 158.9295 
1 1 1   23    8   13 o  519.695  125.329   4.5154   2.0158   2.6926   2.4778   8.0833   3.4666  427.690  149.828  689.270  163.151 -261.5801 221.5104 
1 1 1   23    8   15 o  362.098  127.450   1.8830   1.7941   1.5075   2.5658   2.2421   2.5095  379.923  148.625  408.165  149.816 -28.24234 211.0314 
1 1 1   23    8   17 o  709.104  106.823   8.2112   2.2983   8.5571   3.0709   7.7708   3.4652  714.071  142.340  674.238  165.386 39.83228 218.2041 
1 1 1   23    8   19 o  397.080  131.815   2.4538   1.9133   3.9791   2.8179   1.1491   2.6061  494.944  159.719  367.192  147.768 127.7523 217.5908 
1 1 1   23    8   21 o  826.444  129.756   11.335   3.2472   7.4368   4.8974   14.392   4.3379  656.584  210.424  923.193  155.593 -266.6092 261.7012 
1 1 1   23    8   23 o  1348.48   94.035   29.215   3.9457   25.587   4.9535   35.512   6.5264  1247.65  128.641  1463.33  144.312 -215.6785 193.3244 
1 1 1   23    8   25 o  698.428  112.238   8.0680   2.3714   3.6703   3.3581   12.443   3.3494  489.236  174.135  865.068  127.473 -375.8323 215.8060 
1 1 1   23    8   27 o  527.734  133.498   4.7705   2.2076   4.4656   3.3235   5.0113   2.9532  517.857  173.768  538.915  161.939 -21.05829 237.5280 
1 1 1   23    8   29 o  412.859  136.341   2.7992   2.0479   1.1419   2.9935   4.2574   2.8078  377.312  155.891  496.735  159.342 -119.4224 222.9165 
1 1 1   23    8   31 o  461.323  137.303   3.7628   2.1305   4.5701   3.3658   3.2231   2.7521  505.299  174.760  440.639  157.555 64.66010 235.2971 
1 1 1   23    8   33 o  371.060  136.918   2.1841   2.1000   7.1086   3.7432  -0.0779   2.5369  593.503  183.126  306.165  135.143 287.3378 227.5939 
1 1 1   23    8   35 o  377.883  139.665   2.4242   2.1870  -0.9361   3.7358   4.1761   2.6975  334.556  154.125  463.488  156.543 -128.9324 219.6826 
1 1 1   23    8   37 o  424.789  146.567   3.5545   2.3668   0.5276   3.8248   5.4328   3.0129  356.852  161.096  503.856  165.324 -147.0040 230.8329 
1 1 1   23    8   39 o  612.181  152.391   7.9655   2.9097   5.3579   5.0157   9.2883   3.5723  461.162  196.770  633.576  174.509 -172.4141 263.0057 
1 1 1   23    8   41 o  304.427  131.288   1.1313   2.2774   2.5324   4.1128   0.5117   2.7350  374.345  168.200  301.569  136.174 72.77536 216.4132 
1 1 1   23    9    0 o  659.207   95.371   7.0492   1.9114   9.5866   2.6912   4.4664   2.7152  765.414  115.917  518.962  155.124 246.4521 193.6493 
1 1 1   23    9    2 o  352.610  119.086   1.8741   1.5610  -0.9584   2.1032   5.3485   2.3293  266.713  120.018  564.550  133.810 -297.8372 179.7486 
1 1 1   23    9    4 o  850.348  103.124   11.698   2.6897   13.203   4.9332   11.061   3.2085  876.842  185.471  819.095  129.394 57.74744 226.1464 
1 1 1   23    9    6 f  210.812  101.942  -3.2514   2.0528  -7.4102   3.2582  -0.5138   2.6435  236.568  117.196  316.466  138.880 -79.89801 181.7216 
1 1 1   23    9    8 o  859.104   98.837   11.898   2.6103   10.222   3.1518   15.559   4.6578  786.201  132.756  964.513  159.821 -178.3120 207.7668 
1 1 1   23    9   10 o  1318.57  107.728   27.923   4.4090   26.394   5.8637   29.913   6.6878  1266.57  150.815  1344.53  162.124 -77.95752 221.4258 
1 1 1   23    9   12 o  432.261  133.304   3.0183   1.9838   2.7186   2.2095   4.2643   4.5053  421.344  141.682  547.847  200.790 -126.5030 245.7447 
1 1 1   23    9   14 o  1274.09   80.871   25.796   3.2096   22.799   4.4741   28.975   4.6070  1186.01  122.227  1342.28  110.596 -156.2654 164.8362 
1 1 1   23    9   16 o  675.244  116.117   7.5021   2.3666   9.5161   2.9653   3.9686   3.9278  758.646  129.477  521.500  188.033 237.1464 228.2998 
1 1 1   23    9   18 o  160.519   79.796  -3.8382   1.5615  -2.9378   2.0893  -4.9775   2.3503  219.234  105.215  206.318  101.716 12.91664 146.3434 
1 1 1   23    9   20 o  734.102  107.427   8.8086   2.3963   11.368   3.3850   6.2370   3.3928  826.866  135.428  603.975  171.428 222.8914 218.4684 
1 1 1   23    9   22 o  611.902  135.055   6.3215   2.5184   2.8401   3.2636   11.446   3.9595  457.052  170.279  819.609  160.025 -362.5571 233.6720 
1 1 1   23    9   24 o  1442.53   96.375   33.452   4.3281   33.423   5.5117   33.498   6.9903  1429.69  124.358  1411.57  161.035 18.11646 203.4631 
1 1 1   23    9   26 o  841.230  154.123   12.116   3.9101   12.116   3.9101   0.0000   0.0000  841.230  154.123  ?   ?  0.000000 154.1231 
1 1 1   23    9   28 o  1383.19   93.445   31.009   4.0234   34.388   6.6075   29.018   5.0722  1419.64  150.959  1320.90  124.088 98.74512 195.4137 
1 1 1   23    9   30 o  704.621  131.117   8.6243   2.7864   9.7096   3.8366   7.4126   4.0536  725.473  171.582  625.574  190.117 99.89948 256.0951 
1 1 1   23    9   32 o  346.740  134.867   1.5950   2.1035   3.1559   3.5259   0.7325   2.6210  447.826  174.492  337.305  143.028 110.5204 225.6199 
1 1 1   23    9   34 o  684.686  120.675   8.3636   2.4927   4.5596   4.0591   10.667   3.1583  488.681  188.105  762.070  137.410 -273.3889 232.9485 
1 1 1   23    9   36 o  767.633  116.147   10.607   2.7045   13.577   4.1670   8.4452   3.5550  815.258  168.793  630.921  174.213 184.3365 242.5717 
1 1 1   23    9   38 o  337.900  136.451   1.7174   2.2305   6.7881   3.4419  -1.9538   2.9287  544.181  176.613  270.918  128.485 273.2632 218.4048 
1 1 1   23    9   40 o  582.428  146.381   7.2208   2.6665   5.3142   4.0375   8.6958   3.5511  456.562  183.859  598.304  177.078 -141.7419 255.2663 
1 1 1   23    9   42 o  279.749  128.950  -0.0579   2.6202  -5.5246   8.6304   0.4972   2.7500  343.908  173.275  296.908  135.052 46.99936 219.6889 
1 1 1   23   10    1 o  419.485  121.718   2.8849   1.6926   2.4150   2.2943   3.4461   2.5073  408.742  144.100  465.443  150.708 -56.70074 208.5130 
1 1 1   23   10    3 o  1612.11  113.528   41.757   5.6942   34.924   8.1700   48.210   7.9405  1443.12  185.065  1717.41  149.139 -274.2805 237.6792 
1 1 1   23   10    5 o  806.539   92.605   10.456   2.2963   10.373   3.1894   10.546   3.3088  792.705  133.219  798.243  137.331 -5.537903 191.3298 
1 1 1   23   10    7 o  1068.36  153.012   18.858   4.9725   18.858   4.9725   0.0000   0.0000  1068.36  153.012  ?   ?  0.000000 153.0121 
1 1 1   23   10    9 o  715.830  119.354   8.4022   2.5810   10.101   3.0180   3.7776   4.9799  784.267  127.260  547.151  208.893 237.1163 244.6041 
1 1 1   23   10   11 o  459.123  147.143   3.3524   2.3947   5.1563   2.7569  -2.1918   4.8332  555.205  153.462  399.363  180.615 155.8421 237.0070 
1 1 1   23   10   13 o  452.619  138.212   3.3251   2.1386   3.3486   2.3802   3.2264   4.8719  458.438  146.673  527.318  205.209 -68.88010 252.2372 
1 1 1   23   10   15 o  580.722  121.030   5.5988   2.1294   1.6249   2.9290   10.054   3.1013  402.074  158.337  780.400  131.594 -378.3253 205.8831 
1 1 1   23   10   17 o  1067.48   95.304   18.268   3.1521   16.241   3.9464   21.839   5.2388  996.025  129.605  1149.97  148.990 -153.9476 197.4721 
1 1 1   23   10   19 o  629.360  117.315   6.5558   2.2268   8.2743   2.9738   4.3621   3.3599  702.476  140.109  522.791  174.720 179.6842 223.9587 
1 1 1   23   10   21 o  1054.54  111.056   18.035   3.6120   21.437   6.7349   16.661   4.2794  1111.45  200.914  1002.99  140.084 108.4609 244.9286 
1 1 1   23   10   23 o  1097.39   99.437   19.415   3.3797   19.087   4.3802   19.898   5.3131  1076.08  132.815  1086.81  160.997 -10.72314 208.7100 
1 1 1   23   10   25 o  536.344  137.161   4.8951   2.3126   3.5020   3.3274   6.1967   3.2164  482.409  173.164  598.531  165.878 -116.1225 239.7948 
1 1 1   23   10   27 o  577.315  158.276   5.8253   2.9466   0.9012   7.0564   6.8652   3.2429  521.556  227.943  624.420  163.814 -102.8643 280.7009 
1 1 1   23   10   29 o  912.564   97.209   13.703   2.7350   16.570   4.1565   11.514   3.6320  981.242  139.180  810.177  148.647 171.0656 203.6345 
1 1 1   23   10   31 o  268.878  117.749  -0.1484   1.8914   2.2154   3.0545  -1.6184   2.4088  407.227  161.272  263.218  122.137 144.0085 202.3017 
1 1 1   23   10   33 o  166.408   82.306  -3.3617   1.5833  -1.9149   2.7897  -4.0492   1.9230  276.614  129.376  182.810   90.470 93.80402 157.8702 
1 1 1   23   10   35 o  580.029  172.305   6.9364   3.3576   10.384   3.7605  -6.6180   7.4561  716.737  170.111  381.616  186.716 335.1202 252.5881 
1 1 1   23   10   37 o  289.562  127.829   0.1581   2.2704  -3.1770   3.8309   1.9637   2.8188  295.586  142.022  367.598  151.515 -72.01105 207.6705 
1 1 1   23   10   39 o  341.348  138.612   1.8301   2.3155   0.1080   4.1513   2.6079   2.7898  348.558  161.241  379.065  152.768 -30.50757 222.1193 
1 1 1   23   10   41 o  319.116  140.155   1.1520   2.6969   6.1842   8.9787   0.6529   2.8275  439.852  212.823  309.849  139.319 130.0030 254.3687 
1 1 1   23   11    0 f  291.105  120.837   0.3699   1.8108   1.4903   2.7543  -0.4829   2.4030  389.537  153.499  302.463  132.582 87.07425 202.8298 
1 1 1   23   11    2 o  1933.93   93.063   59.316   5.6355   51.769   9.9201   62.913   6.8478  1767.16  181.873  1983.51  110.696 -216.3497 212.9121 
1 1 1   23   11    4 o  1529.70   79.383   37.068   3.7893   37.186   5.3193   36.946   5.3993  1523.31  112.310  1517.70  114.456 5.617554 160.3554 
1 1 1   23   11    6 o  1697.58   78.757   45.513   4.1863   37.307   5.8719   53.996   5.9701  1522.42  124.260  1840.29  104.031 -317.8671 162.0584 
1 1 1   23   11    8 o  1130.50   83.117   20.308   2.9216   19.306   4.0365   21.410   4.2341  1093.41  119.864  1152.30  119.065 -58.88916 168.9496 
1 1 1   23   11   10 o  473.071  137.235   3.6749   2.1519   4.2450   2.4415   1.6903   4.5554  507.046  145.914  474.813  193.797 32.23264 242.5866 
1 1 1   23   11   12 o  915.945  105.012   13.511   2.9574   15.416   3.3746   7.2031   6.1399  977.313  112.316  675.941  235.906 301.3721 261.2791 
1 1 1   23   11   14 o  427.805  146.868   2.7395   2.3751   3.4564   2.6460  -0.2325   5.3877  469.787  154.971  462.019  200.586 7.768158 253.4771 
1 1 1   23   11   16 o  907.877  104.836   13.304   2.9255   11.697   3.6841   16.046   4.8131  838.912  145.524  979.765  162.586 -140.8531 218.2003 
1 1 1   23   11   18 o  249.220  111.698  -0.7625   1.8017  -4.0123   2.2855   4.5722   2.9283  215.830  105.114  526.502  161.890 -310.6725 193.0220 
1 1 1   23   11   20 o  1066.50  111.569   18.410   3.6707   20.565   4.1876   11.262   7.6265  1124.76  120.795  798.751  263.077 326.0081 289.4838 
1 1 1   23   11   22 o  187.162   90.460  -2.5444   1.6116  -2.8015   2.1185  -2.1913   2.4828  223.977  107.080  263.401  122.816 -39.42325 162.9410 
1 1 1   23   11   24 o  572.904  162.626   5.6138   3.0532  -0.8895   7.1040   7.0872   3.3814  504.362  224.209  640.461  166.916 -136.0996 279.5187 
1 1 1   23   11   26 o  626.567  130.863   6.6660   2.4846   4.6987   3.5942   8.4665   3.4385  532.737  180.696  697.095  160.806 -164.3583 241.8878 
1 1 1   23   11   28 o  269.921  118.315  -0.2686   1.9136   1.0186   2.7273  -1.5167   2.6855  361.216  148.980  287.453  131.776 73.76358 198.8964 
1 1 1   23   11   30 o  571.630  130.059   5.7465   2.2755   4.3354   3.4448   6.8388   3.0309  498.840  176.495  611.899  157.317 -113.0594 236.4298 
1 1 1   23   11   32 o  791.407  115.651   10.813   2.7813   9.1725   4.0208   12.319   3.8515  681.014  184.138  816.326  156.371 -135.3121 241.5752 
1 1 1   23   11   34 o  493.245  170.593   4.7227   3.2072   6.3449   3.5568  -2.3340   7.4185  558.247  179.370  429.896  204.060 128.3509 271.6872 
1 1 1   23   11   36 o  677.975  134.983   8.6302   2.7648   6.3690   4.3328   10.183   3.5910  533.671  196.710  709.369  164.812 -175.6973 256.6280 
1 1 1   23   11   38 o  272.069  122.015  -0.1700   2.1535   0.7560   3.8250  -0.5997   2.6057  359.727  161.866  284.125  130.085 75.60214 207.6602 
1 1 1   23   11   40 o  579.478  188.006   8.5595   3.9004   0.0000   0.0000   8.5595   3.9004  ?   ?   579.478  188.006 0.000000 188.0062 
1 1 1   23   12    1 o  908.722  133.514   13.492   3.6858   10.159   5.4297   16.341   5.0194  770.193  216.260  991.212  167.702 -221.0193 273.6651 
1 1 1   23   12    3 o  1622.33   79.687   41.543   4.0480   44.010   5.8151   39.223   5.6386  1659.51  112.574  1565.29  115.866 94.21912 161.5479 
1 1 1   23   12    5 o  890.106   90.143   12.656   2.4778   13.502   3.4077   11.707   3.6092  912.385  122.363  843.437  141.683 68.94757 187.2080 
1 1 1   23   12    7 o  1824.93   79.477   52.559   4.5415   46.141   6.3547   59.260   6.4929  1697.14  120.361  1928.42  107.962 -231.2726 161.6866 
1 1 1   23   12    9 o  975.671   96.777   15.227   2.9176   14.874   3.5970   15.905   4.9883  958.052  122.725  977.496  169.096 -19.44458 208.9373 
1 1 1   23   12   11 o  1016.04  123.160   16.718   3.8382   16.718   3.8382   0.0000   0.0000  1016.04  123.160  ?   ?  0.000000 123.1595 
1 1 1   23   12   13 o  1120.81  103.555   20.132   3.5932   19.774   4.1755   21.152   7.0544  1105.63  122.677  1112.24  210.257 -6.613892 243.4293 
1 1 1   23   12   15 o  346.931  143.171   0.6582   2.5206   0.6582   2.5206   0.0000   0.0000  346.931  143.171  ?   ?  0.000000 143.1706 
1 1 1   23   12   17 o  827.601  144.024   11.371   3.5967   11.371   3.5967   0.0000   0.0000  827.601  144.024  ?   ?  0.000000 144.0242 
1 1 1   23   12   19 o  361.541  138.476   1.4942   2.1928   1.7009   2.8006   1.1669   3.5251  398.787  155.477  413.970  169.894 -15.18274 230.2977 
1 1 1   23   12   21 o  452.707  140.641   3.3281   2.2036   4.0073   3.0486   2.5851   3.1888  501.935  166.378  447.249  167.983 54.68582 236.4316 
1 1 1   23   12   23 o  688.116  115.205   7.8122   2.3945   10.797   3.2588   4.3096   3.5302  805.541  133.898  522.229  179.070 283.3113 223.5947 
1 1 1   23   12   25 o  443.465  137.859   3.2462   2.1169   2.7029   2.8912   3.8740   3.1079  436.961  160.745  491.843  168.021 -54.88205 232.5299 
1 1 1   23   12   27 o  565.957  145.023   5.5851   2.5817   11.573   3.9889   1.2687   3.3867  811.042  162.730  400.377  165.649 410.6658 232.2079 
1 1 1   23   12   29 o  345.545  138.370   1.2540   2.2728   4.3000   3.5475  -0.8668   2.9601  502.616  178.970  316.716  142.464 185.8997 228.7492 
1 1 1   23   12   31 o  922.784  119.412   14.606   3.3694   11.697   5.3346   16.536   4.3461  752.387  215.446  960.505  149.357 -208.1176 262.1537 
1 1 1   23   12   33 o  1215.64  143.989   26.726   5.3744   28.682   6.5931   22.852   9.2783  1219.34  177.921  921.441  288.974 297.9010 339.3558 
1 1 1   23   12   35 o  500.204  150.614   4.8340   2.5527   0.2288   4.0212   7.9423   3.3037  370.749  166.469  630.484  165.315 -259.7347 234.6083 
1 1 1   23   12   37 o  268.697  120.460  -0.2760   2.0969  -2.0459   3.4077   0.8027   2.6602  296.670  140.068  327.797  141.630 -31.12677 199.1937 
1 1 1   23   12   39 o  424.286  150.098   3.6826   2.4913  -3.1765   3.7747   8.9769   3.3163  287.886  138.967  644.817  163.896 -356.9316 214.8813 
1 1 1   23   13    0 o  1375.33   96.283   30.074   4.1203   23.723   7.2896   33.056   4.9946  1188.46  203.187  1438.52  111.762 -250.0526 231.8958 
1 1 1   23   13    2 o  755.465  124.168   9.3189   2.8352   11.711   5.0500   8.2180   3.4260  830.748  197.106  700.984  159.657 129.7642 253.6557 
1 1 1   23   13    4 o  591.775  120.812   5.7698   2.1629   4.7573   3.2642   6.5623   2.8878  544.116  171.520  627.271  149.201 -83.15479 227.3323 
1 1 1   23   13    6 o  270.354  116.952  -0.2051   1.8184  -1.6946   2.8570   0.8091   2.3575  302.077  137.500  344.276  139.841 -42.19916 196.1167 
1 1 1   23   13    8 o  542.501  131.077   4.8861   2.2017   4.3130   2.7081   6.0033   3.7814  514.695  155.167  604.139  183.628 -89.44415 240.4081 
1 1 1   23   13   10 o  704.755  116.086   8.1045   2.4725   6.8827   3.6099   9.1842   3.3935  640.310  175.039  742.772  151.049 -102.4617 231.2024 
1 1 1   23   13   12 o  588.794  149.740   5.7995   2.7670   2.0817   3.9213   9.4864   3.9051  461.676  182.762  750.147  170.161 -288.4712 249.7128 
1 1 1   23   13   14 o  484.541  155.028   3.7399   2.6591   5.1965   2.9756  -2.0361   5.9253  559.198  161.133  451.760  202.512 107.4377 258.7953 
1 1 1   23   13   16 o  985.337  130.067   15.827   3.9149   15.827   3.9149   0.0000   0.0000  985.337  130.067  ?   ?  0.000000 130.0668 
1 1 1   23   13   18 o  571.220  156.416   5.4752   2.8798   7.1556   3.1984  -1.7205   6.6185  650.945  158.419  483.067  215.465 167.8778 267.4355 
1 1 1   23   13   20 o  373.321  138.371   1.7956   2.1496   2.8253   2.7927   0.2986   3.3674  444.282  158.730  381.019  161.868 63.26297 226.7080 
1 1 1   23   13   22 o  1494.90   98.356   35.804   4.5782   30.000   7.3938   39.412   5.8304  1331.30  182.146  1560.14  120.276 -228.8418 218.2738 
1 1 1   23   13   24 o  352.755  135.980   1.4312   2.1236   1.7668   2.9525   1.0714   3.0567  404.090  159.023  384.945  158.118 19.14481 224.2538 
1 1 1   23   13   26 o  417.328  142.470   2.7535   2.2345   0.6562   3.1234   4.9524   3.1981  371.615  156.774  536.315  169.849 -164.7003 231.1418 
1 1 1   23   13   28 o  865.900  117.270   12.598   3.0978   11.117   4.6019   13.825   4.1891  771.766  191.371  885.615  156.800 -113.8491 247.4048 
1 1 1   23   13   30 o  922.054  119.378   14.475   3.3657   18.463   5.3042   11.787   4.3547  1000.19  175.781  791.871  179.739 208.3162 251.4058 
1 1 1   23   13   32 o  914.557  145.979   15.068   4.0398   17.511   4.5789   6.4874   8.5817  979.792  154.358  592.630  255.219 387.1615 298.2668 
1 1 1   23   13   34 o  476.916  148.306   4.2592   2.4496   4.9774   3.6214   3.6534   3.3261  505.877  180.751  454.202  171.360 51.67484 249.0688 
1 1 1   23   13   36 o  314.317  131.857   0.8900   2.1894  -1.3348   3.2698   2.6980   2.9476  307.233  142.469  404.374  158.969 -97.14041 213.4676 
1 1 1   23   13   38 o  926.060  115.064   15.521   3.2646   16.010   4.7222   15.073   4.5182  861.602  180.800  839.668  177.406 21.93402 253.3015 
1 1 1   23   14    1 o  691.983  136.811   7.8971   2.8593   8.2452   5.1206   7.7394   3.4467  704.831  213.563  680.475  163.747 24.35577 269.1132 
1 1 1   23   14    3 o  839.860  119.433   11.422   3.0524   9.8299   5.4281   12.158   3.6913  763.020  216.925  861.591  141.755 -98.57104 259.1351 
1 1 1   23   14    5 o  1120.72  104.199   20.058   3.6147   20.191   6.4480   19.997   4.3651  1099.12  194.469  1113.64  127.477 -14.52332 232.5265 
1 1 1   23   14    7 o  1705.81   96.072   46.165   5.1106   54.915   8.7778   41.678   6.2859  1842.99  153.501  1612.92  125.449 230.0701 198.2422 
1 1 1   23   14    9 o  1357.11   86.726   29.202   3.6661   31.228   5.2899   27.330   5.0855  1395.16  122.325  1303.46  126.180 91.69690 175.7405 
1 1 1   23   14   11 o  256.009  112.446  -0.4237   1.7362  -1.8644   2.6782   0.6206   2.2802  286.098  131.318  332.401  136.556 -46.30334 189.4512 
1 1 1   23   14   13 o  932.969  106.045   13.993   3.0429   15.751   4.9524   12.927   3.8568  972.999  168.661  886.562  143.864 86.43726 221.6829 
1 1 1   23   14   15 o  762.814  114.688   9.4648   2.6546   4.0084   4.0826   13.461   3.4941  531.157  191.676  909.544  126.076 -378.3875 229.4223 
1 1 1   23   14   17 o  436.627  165.195   2.3261   3.0966   2.0321   3.4522   3.5366   7.0050  440.408  172.366  600.822  242.098 -160.4144 297.1891 
1 1 1   23   14   19 o  1025.47  143.162   17.285   4.4716   19.720   5.3906   11.915   8.0064  1089.35  163.049  827.443  269.406 261.9022 314.9044 
1 1 1   23   14   21 o  739.189  163.495   9.2929   3.6839   10.021   4.2131   6.9271   7.5919  763.591  179.273  685.041  258.787 78.55011 314.8167 
1 1 1   23   14   23 o  486.444  142.145   3.9654   2.3011   6.3142   3.7181   2.5072   2.9296  606.003  181.614  432.276  161.275 173.7273 242.8853 
1 1 1   23   14   25 o  470.682  135.066   3.7569   2.0946   4.0142   3.0134   3.5164   2.9135  494.035  165.464  470.197  162.595 23.83813 231.9821 
1 1 1   23   14   27 o  676.646  128.988   7.8325   2.6332   7.6602   3.5856   8.0343   3.8795  651.258  172.927  663.719  181.464 -12.46118 250.6648 
1 1 1   23   14   29 o  1497.65   93.673   36.680   4.3707   29.152   6.0307   45.010   6.3435  1290.49  152.169  1633.19  124.992 -342.7086 196.9222 
1 1 1   23   14   31 f  702.312  171.639   9.2927   3.7426   7.6674   4.2322   15.123   8.0159  625.066  195.027  801.147  269.861 -176.0802 332.9567 
1 1 1   23   14   33 o  1117.35  109.440   21.271   3.7798   19.799   5.0315   23.179   5.7267  1032.06  160.947  1107.41  170.630 -75.35071 234.5604 
1 1 1   23   14   35 o  522.354  153.906   5.2619   2.6878   2.0378   4.0713   7.7526   3.5785  416.984  177.585  617.458  176.335 -200.4731 250.2611 
1 1 1   23   14   37 f  583.769  148.744   6.6979   2.7267   3.7007   3.9191   9.5099   3.7961  447.997  180.886  669.649  177.988 -221.6524 253.7703 
1 1 1   23   15    0 o  425.953  136.899   2.8246   2.0718   4.9171   2.7804   0.2128   3.1064  546.924  155.173  368.179  155.891 178.7449 219.9561 
1 1 1   23   15    2 o  558.500  130.998   5.1599   2.2513   5.1861   3.1225   5.1316   3.2489  563.004  165.886  561.993  170.072 1.011536 237.5768 
1 1 1   23   15    4 o  1077.97  109.976   18.596   3.6601   16.073   6.3835   19.832   4.4674  973.460  215.150  1108.66  131.235 -135.2034 252.0162 
1 1 1   23   15    6 o  403.491  163.195   1.2052   3.1960  -3.6675   5.3382   3.9275   3.9901  401.608  184.726  528.574  189.636 -126.9664 264.7370 
1 1 1   23   15    8 o  397.453  149.104   1.9188   2.5109   1.4446   3.9507   2.2401   3.2522  445.512  181.001  441.737  168.773 3.775574 247.4790 
1 1 1   23   15   10 o  548.914  143.814   5.0009   2.5015   0.5279   3.7989   8.4251   3.3238  412.329  173.368  711.276  153.724 -298.9464 231.7059 
1 1 1   23   15   12 o  546.829  153.766   4.9454   2.7429   7.9090   3.8007   1.7239   3.9626  685.707  176.095  453.696  182.342 232.0114 253.4915 
1 1 1   23   15   14 o  308.081  129.905   0.1975   2.1428  -0.6725   3.1629   0.9354   2.9131  345.887  151.850  379.326  154.916 -33.43979 216.9273 
1 1 1   23   15   16 o  427.669  141.954   2.8069   2.2189   2.7934   3.7330   2.8143   2.7593  478.108  181.261  444.896  157.902 33.21185 240.3928 
1 1 1   23   15   18 o  475.680  140.898   3.7057   2.2476   1.4364   3.3080   5.6514   3.0632  414.043  166.533  580.979  162.188 -166.9357 232.4615 
1 1 1   23   15   20 o  466.019  164.835   3.1858   3.0045   3.1528   3.2843   3.3552   7.4390  473.122  171.734  602.992  247.058 -129.8694 300.8826 
1 1 1   23   15   22 o  974.041  130.156   15.648   3.8704   13.983   4.3418   22.088   8.5408  909.137  158.269  1094.45  254.102 -185.3167 299.3610 
1 1 1   23   15   24 o  665.936  163.114   7.7325   3.3743   8.9317   3.7036   1.8753   8.1855  714.478  168.317  574.725  248.378 139.7529 300.0367 
1 1 1   23   15   26 o  555.498  143.897   5.3672   2.5230   3.8745   3.9047   6.4371   3.3058  502.839  186.468  601.924  168.650 -99.08481 251.4223 
1 1 1   23   15   28 o  425.977  142.142   3.0021   2.2238   3.8223   3.2508   2.2808   3.0487  482.161  171.361  417.504  162.371 64.65707 236.0698 
1 1 1   23   15   30 o  375.359  145.729   1.8374   2.4525   0.0003   3.3219   4.0386   3.6362  355.035  155.749  491.036  180.323 -136.0009 238.2732 
1 1 1   23   15   32 o  1059.87  101.992   18.817   3.3430   15.275   4.5472   22.982   4.9317  907.517  166.143  1140.06  141.168 -232.5432 218.0185 
1 1 1   23   15   34 o  341.506  138.884   1.2946   2.3289   0.7703   3.0671   2.0086   3.5790  355.349  152.803  408.796  169.804 -53.44647 228.4339 
1 1 1   23   15   36 o  225.787  108.257  -2.5304   2.2002  -7.2522   3.2966   1.2621   2.9545  228.568  113.995  359.238  152.064 -130.6704 190.0484 
1 1 1   23   16    1 o  276.615  124.691  -1.1466   2.2817   1.4013   3.5239  -2.9860   2.9941  426.144  171.711  284.775  133.460 141.3690 217.4769 
1 1 1   23   16    3 o  816.224  128.349   10.834   3.1721   13.371   4.9827   9.1048   4.1133  894.931  183.958  737.351  179.777 157.5800 257.2163 
1 1 1   23   16    5 o  323.703  146.426  -1.6707   3.1784   0.0000   0.0000  -1.6707   3.1784  ?   ?   323.703  146.426 0.000000 146.4256 
1 1 1   23   16    7 o  596.887  183.903   5.7812   3.7766   0.0000   0.0000   5.7812   3.7766  ?   ?   596.887  183.903 0.000000 183.9033 
1 1 1   23   16    9 o  426.838  165.503   1.9265   3.1601   0.0000   0.0000   1.9265   3.1601  ?   ?   426.838  165.503 0.000000 165.5035 
1 1 1   23   16   11 o  549.023  153.327   4.9760   2.7371   4.0493   4.0797   5.7346   3.6910  535.363  191.788  593.243  181.646 -57.87988 264.1550 
1 1 1   23   16   13 o  459.896  149.034   3.3020   2.4515   4.9671   3.4672   1.6373   3.4667  556.965  176.899  429.921  171.319 127.0441 246.2587 
1 1 1   23   16   15 o  218.004  104.509  -2.8857   2.0487  -3.7920   2.7653  -1.7830   3.0502  254.358  121.800  312.332  142.131 -57.97429 187.1803 
1 1 1   23   16   17 o  1187.98  107.573   22.621   3.9581   19.661   5.0773   27.208   6.3197  1093.82  152.381  1286.89  160.310 -193.0654 221.1767 
1 1 1   23   16   19 o  529.109  149.196   4.6749   2.5786   3.3519   3.4784   6.2889   3.8420  487.153  176.751  611.973  184.890 -124.8192 255.7830 
1 1 1   23   16   21 o  710.933  270.911   7.7519   8.3658   7.7519   8.3658   0.0000   0.0000  710.933  270.911  ?   ?  0.000000 270.9110 
1 1 1   23   16   23 o  293.709  133.781  -1.4654   2.7103  -3.0470   2.8759   11.095   8.1047  271.577  128.359  776.479  271.033 -504.9022 299.8922 
1 1 1   23   16   25 o  1097.65  150.604   20.512   5.0398   22.825   5.9043   14.304   9.6742  1147.09  169.485  838.126  295.856 308.9623 340.9632 
1 1 1   23   16   27 o  364.040  143.333   1.4962   2.3998  -0.1997   2.9847   4.5973   4.0360  338.060  147.984  528.101  190.578 -190.0402 241.2863 
1 1 1   23   16   29 f  1363.84  116.124   31.067   4.9119   26.974   6.8078   35.511   7.0939  1215.06  184.755  1418.01  162.714 -202.9463 246.1913 
1 1 1   23   16   31 o  500.437  158.496   4.5034   2.7848   3.3455   3.7618   5.9073   4.1422  467.234  180.739  562.066  193.900 -94.83191 265.0727 
1 1 1   23   16   33 o  650.978  145.589   7.7375   2.8933   6.0891   3.7128   10.286   4.6169  560.570  183.504  711.817  199.258 -151.2467 270.8827 
1 1 1   23   16   35 o  348.339  142.215   1.3799   2.4540   5.1025   3.3939  -2.6988   3.5525  511.421  175.566  301.397  142.517 210.0239 226.1292 
1 1 1   23   17    0 f  866.475  154.606   12.330   4.0408   11.103   5.0307   14.560   6.7837  813.010  199.181  925.795  233.919 -112.7855 307.2318 
1 1 1   23   17    2 o  489.869  176.687   3.2737   3.4685   3.8949   4.1323   1.7925   6.3807  533.215  192.774  551.212  227.657 -17.99646 298.3107 
1 1 1   23   17    4 o  1339.72  107.656   28.560   4.4780   27.931   5.1242   30.593   9.2123  1321.00  125.383  1352.61  225.444 -31.61743 257.9647 
1 1 1   23   17    6 o  740.714  146.432   9.0447   3.2759   9.5282   3.6552   7.0705   7.3852  758.141  159.048  706.445  257.356 51.69672 302.5362 
1 1 1   23   17    8 o  630.198  214.365   6.0821   5.0585   3.4165   6.5073   10.153   8.0415  592.033  235.095  798.244  270.283 -206.2106 358.2217 
1 1 1   23   17   10 o  697.649  216.271   7.9800   5.2139  -2.3708   6.9048   21.712   7.9530  490.860  219.426  1130.72  232.393 -639.8569 319.6157 
1 1 1   23   17   12 o  499.140  206.940   1.3466   5.3014   8.0603   7.4007  -5.7293   7.5977  729.842  258.644  468.957  217.359 260.8844 337.8487 
1 1 1   23   17   14 f  730.846  198.379   9.0275   4.6561   9.0275   4.6561   0.0000   0.0000  730.846  198.379  ?   ?  0.000000 198.3791 
1 1 1   23   17   16 o  485.571  181.333   3.0399   3.7054   3.1947   4.3011   2.5943   7.2977  510.566  194.324  590.563  243.649 -79.99725 311.6518 
1 1 1   23   17   18 o  732.327  161.922   9.0680   3.6144   8.7087   3.9956   10.686   8.4791  713.944  179.050  796.415  277.267 -82.47150 330.0546 
1 1 1   23   17   20 o  495.257  178.869   3.5732   3.5564   3.5732   3.5564   0.0000   0.0000  495.257  178.869  ?   ?  0.000000 178.8688 
1 1 1   23   17   22 o  910.758  171.771   14.285   4.7190   14.285   4.7190   0.0000   0.0000  910.758  171.771  ?   ?  0.000000 171.7714 
1 1 1   23   17   26 o  1017.82  186.387   18.523   5.7213   18.523   5.7213   0.0000   0.0000  1017.82  186.387  ?   ?  0.000000 186.3868 
1 1 1   23   17   28 o  570.721  194.544   5.7860   4.1664   5.7860   4.1664   0.0000   0.0000  570.721  194.544  ?   ?  0.000000 194.5435 
1 1 1   23   17   30 o  399.993  159.971   1.8764   3.0336   2.7484   3.1752  -7.2489   10.272  435.793  166.700  485.624  233.123 -49.83139 286.5926 
1 1 1   23   17   32 o  593.805  172.606   6.6468   3.4010   4.4541   3.5885   26.000   10.661  501.968  179.868  1009.03  308.674 -507.0563 357.2564 
1 1 1   23   17   34 o  315.078  141.543  -0.5513   2.9110  -0.3505   3.0306  -2.9464   10.465  326.006  145.577  497.906  238.027 -171.9001 279.0148 
1 1 1   23   18    1 o  688.156  163.519   7.8630   3.4714   9.1887   3.9055   2.8731   7.5770  743.368  171.303  615.021  250.357 128.3467 303.3534 
1 1 1   23   18    3 o  323.395  141.295  -0.5340   2.7095  -3.4029   2.9197   17.265   7.2723  272.457  128.945  1009.63  234.519 -737.1758 267.6306 
1 1 1   23   18    5 o  427.462  165.048   1.9439   3.1325   2.6232   3.4186  -1.6119   7.8218  464.094  174.005  539.823  237.840 -75.72858 294.6959 
1 1 1   23   18    7 o  550.244  172.706   4.8222   3.3133   6.4526   3.6630  -2.5146   7.7704  625.716  178.308  523.251  233.421 102.4646 293.7329 
1 1 1   23   18    9 o  305.452  135.276  -0.8181   2.5626  -0.8710   2.7401  -0.4494   7.2368  315.776  139.864  537.092  232.826 -221.3166 271.6060 
1 1 1   23   18   11 o  367.202  159.956  -0.5204   3.4494  -1.8276   3.8071   5.4713   8.1509  357.068  161.001  683.131  265.544 -326.0633 310.5401 
1 1 1   23   18   13 o  578.741  221.385   4.0625   5.6002   8.5068   7.8188  -0.6193   8.0249  746.512  265.711  558.281  243.562 188.2308 360.4506 
1 1 1   23   18   15 o  659.348  259.798   5.0395   7.8895   5.0395   7.8895   0.0000   0.0000  659.348  259.798  ?   ?  0.000000 259.7984 
1 1 1   23   18   17 o  802.454  206.878   11.155   5.2314   11.155   5.2314   0.0000   0.0000  802.454  206.878  ?   ?  0.000000 206.8779 
1 1 1   23   18   19 o  547.453  195.584   4.5166   4.2400   4.5166   4.2400   0.0000   0.0000  547.453  195.584  ?   ?  0.000000 195.5838 
1 1 1   23   18   21 o  464.375  177.796   2.7253   3.6140   2.7253   3.6140   0.0000   0.0000  464.375  177.796  ?   ?  0.000000 177.7963 
1 1 1   23   18   23 o  402.764  168.696   0.8969   3.5745   0.8969   3.5745   0.0000   0.0000  402.764  168.696  ?   ?  0.000000 168.6961 
1 1 1   23   18   25 o  331.215  148.682  -1.0648   3.2058  -3.5598   3.4191   17.075   9.2193  294.404  139.391  914.348  288.254 -619.9442 320.1884 
1 1 1   23   18   27 o  565.160  181.292   5.6208   3.6346   7.8108   3.9153  -8.0296   9.7749  656.348  183.413  481.978  230.310 174.3700 294.4195 
1 1 1   23   18   29 o  235.132  114.537  -4.4695   2.7173  -5.0287   2.8167   3.0408   10.323  233.712  114.437  607.797  270.227 -374.0851 293.4594 
1 1 1   23   18   31 o  787.011  179.098   11.543   4.3143   10.046   4.6842   19.915   11.077  719.269  200.480  883.800  316.079 -164.5302 374.2972 
1 1 1   23   19    0 o  774.321  157.769   9.8836   3.6954   4.7232   4.0346   36.756   9.2070  562.292  191.444  1498.93  201.248 -936.6426 277.7615 
1 1 1   23   19    2 o  1442.46  122.257   33.151   5.4700   42.374   6.2333   2.2565   11.408  1631.91  122.886  713.876  300.309 918.0294 324.4787 
1 1 1   23   19    4 o  503.540  178.214   3.5685   3.5125   3.0833   3.8205   6.2187   8.9290  495.705  184.322  723.658  278.866 -227.9529 334.2770 
1 1 1   23   19    6 o  532.227  176.788   4.3342   3.4413   4.6024   3.6987   2.6064   9.3888  549.026  183.319  662.968  275.172 -113.9413 330.6441 
1 1 1   23   19    8 o  482.035  170.127   3.2927   3.1988   3.2927   3.1988   0.0000   0.0000  482.035  170.127  ?   ?  0.000000 170.1270 
1 1 1   23   19   10 o  892.474  152.317   13.077   4.1038   13.077   4.1038   0.0000   0.0000  892.474  152.317  ?   ?  0.000000 152.3166 
1 1 1   23   19   12 o  380.684  153.495   1.1052   2.8179   1.1052   2.8179   0.0000   0.0000  380.684  153.495  ?   ?  0.000000 153.4946 
1 1 1   23   19   14 o  352.082  153.754  -0.5123   3.2049  -0.5123   3.2049   0.0000   0.0000  352.082  153.754  ?   ?  0.000000 153.7540 
1 1 1   23   19   16 o  504.116  217.058   0.2826   6.2047   11.550   8.4488 -12.9095   9.1418  821.056  277.048  445.282  215.274 375.7738 350.8541 
1 1 1   23   19   18 o  737.807  246.143   9.2963   6.6684   12.572   9.2261   5.7137   9.6493  843.407  289.472  699.014  283.271 144.3924 405.0137 
1 1 1   23   19   20 o  710.353  214.286   8.8392   5.1637   7.1641   6.0907   13.120   9.7369  662.705  234.663  849.180  297.037 -186.4746 378.5464 
1 1 1   23   19   22 o  888.434  171.587   13.596   4.6006   13.513   5.1651   13.917   10.120  875.836  193.498  857.137  302.596 18.69897 359.1740 
1 1 1   23   19   24 o  748.250  190.853   9.9964   4.4858   9.9964   4.4858   0.0000   0.0000  748.250  190.853  ?   ?  0.000000 190.8526 
1 1 1   23   19   26 o  581.743  192.624   5.8693   4.0867   7.4654   4.4713  -2.2286   10.071  644.288  200.369  556.329  255.093 87.95929 324.3768 
1 1 1   23   19   28 f  365.968  157.549   0.2839   3.2678  -0.1310   3.4568   3.7706   10.021  364.329  159.376  624.240  272.262 -259.9114 315.4789 
1 1 1   23   19   30 o  693.158  288.914   8.8754   10.412   0.0000   0.0000   8.8754   10.412  ?   ?   693.158  288.914 0.000000 288.9145 
1 1 1   23   20    1 o  602.264  196.443   5.6503   4.2562   5.6503   4.2562   0.0000   0.0000  602.264  196.443  ?   ?  0.000000 196.4431 
1 1 1   23   20    3 o  1085.49  154.521   19.119   5.1038   19.119   5.1038   0.0000   0.0000  1085.49  154.521  ?   ?  0.000000 154.5215 
1 1 1   23   20    5 o  889.552  174.588   13.094   4.6893   13.094   4.6893   0.0000   0.0000  889.552  174.588  ?   ?  0.000000 174.5878 
1 1 1   23   20    7 o  301.062  136.701  -1.6203   2.8018  -1.6203   2.8018   0.0000   0.0000  301.062  136.701  ?   ?  0.000000 136.7008 
1 1 1   23   20    9 o  743.323  157.965   9.1792   3.5633   12.389   3.8569  -9.5282   9.3109  869.257  146.939  489.777  231.329 379.4801 274.0512 
1 1 1   23   20   11 o  1004.48  145.284   16.477   4.4369   19.381   4.9097   3.5397   10.362  1090.27  147.609  695.842  288.973 394.4307 324.4899 
1 1 1   23   20   13 o  745.581  164.158   9.3330   3.7287   9.3330   3.7287   0.0000   0.0000  745.581  164.158  ?   ?  0.000000 164.1583 
1 1 1   23   20   15 o  1010.03  147.999   16.802   4.5418   20.081   5.0306   2.3450   10.563  1105.46  149.140  670.628  285.833 434.8293 322.4026 
1 1 1   23   20   17 o  590.741  180.766   5.8248   3.6560   6.4761   3.9327   1.6785   9.9224  620.133  186.993  638.714  274.750 -18.58051 332.3459 
1 1 1   23   20   19 o  571.311  239.195   2.3209   7.1822  -0.7935   10.564   4.9977   9.7938  613.739  273.096  685.549  282.479 -71.81000 392.9073 
1 1 1   23   20   21 o  791.646  303.575   10.385   10.546   10.385   10.546   0.0000   0.0000  791.646  303.575  ?   ?  0.000000 303.5754 
1 1 1   23   20   23 o  616.377  216.601   6.2700   5.1804   6.8254   6.0190   4.6829   10.174  644.859  232.729  671.955  283.187 -27.09601 366.5483 
1 1 1   23   20   25 o  461.145  192.894   1.4943   4.6648   1.4943   4.6648   0.0000   0.0000  461.145  192.894  ?   ?  0.000000 192.8944 
1 1 1   23   20   27 o  374.173  162.025   0.0996   3.4971  -2.3796   3.7262   18.418   10.129  331.407  153.116  930.724  303.016 -599.3168 339.5039 
1 1 1   23   20   29 o  229.047  113.036  -5.9952   2.9283  -6.1142   3.0596  -4.6974   10.106  235.581  116.126  518.740  243.773 -283.1585 270.0198 
1 1 1   23   21    0 o  1236.60  149.241   24.649   5.6619   24.649   5.6619   0.0000   0.0000  1236.60  149.241  ?   ?  0.000000 149.2411 
1 1 1   23   21    2 o  703.497  185.592   8.2320   4.1474   10.054   4.4552  -3.5978   11.354  776.308  185.766  628.740  281.194 147.5685 337.0144 
1 1 1   23   21    4 o  713.416  206.300   8.4354   4.8698   8.4354   4.8698   0.0000   0.0000  713.416  206.300  ?   ?  0.000000 206.3003 
1 1 1   23   21    6 o  735.078  165.589   8.9957   3.7199   9.7790   3.9854   3.6992   10.364  766.042  170.537  705.174  290.575 60.86835 336.9228 
1 1 1   23   21    8 o  336.469  147.101  -0.5583   2.9410   0.2533   3.1149  -7.2241   8.9269  369.672  156.290  500.665  233.255 -130.9923 280.7751 
1 1 1   23   21   10 o  1251.70  146.350   25.431   5.6277   25.431   5.6277   0.0000   0.0000  1251.70  146.350  ?   ?  0.000000 146.3503 
1 1 1   23   21   12 o  511.647  171.753   4.0366   3.2469   4.0378   3.4299   4.0264   10.075  516.019  176.511  693.236  286.168 -177.2173 336.2262 
1 1 1   23   21   14 o  433.504  167.047   2.1246   3.2039   2.5467   3.3761  -1.7000   10.161  455.593  172.461  602.573  267.996 -146.9794 318.6920 
1 1 1   23   21   16 o  790.556  159.599   10.505   3.8146   7.6341   4.0946   29.367   10.496  669.708  187.713  1279.36  270.470 -609.6530 329.2265 
1 1 1   23   21   18 o  418.465  165.977   1.7121   3.2399   1.8146   3.4169   0.7993   10.198  429.475  170.417  630.661  274.868 -201.1855 323.4104 
1 1 1   23   21   20 o  505.941  177.898   3.8869   3.4947   2.9602   3.7128   11.086   10.348  477.914  180.870  811.761  303.059 -333.8474 352.9286 
1 1 1   23   21   22 o  660.317  281.813   3.3778   10.292   0.0000   0.0000   3.3778   10.292  ?   ?   660.317  281.813 0.000000 281.8131 
1 1 1   23   21   24 o  873.288  315.593   14.801   11.074   0.0000   0.0000   14.801   11.074  ?   ?   873.288  315.593 0.000000 315.5930 
1 1 1   23   21   26 f  683.443  221.518   8.4249   5.4158   8.5213   6.1130   8.0732   11.677  689.038  235.645  736.946  306.464 -47.90765 386.5860 
1 1 1   23   22    1 o  1343.79  133.781   28.945   5.5543   29.831   6.2068   25.384   12.445  1360.91  148.041  1202.69  323.436 158.2213 355.7063 
1 1 1   23   22    3 o  829.194  179.180   11.461   4.5164   14.219   4.9254  -3.1101   11.320  926.502  176.218  631.183  281.639 295.3186 332.2249 
1 1 1   23   22    5 o  617.859  178.328   6.2944   3.6418   4.1366   3.8687   23.092   10.794  533.924  187.206  1147.40  297.831 -613.4757 351.7802 
1 1 1   23   22    7 f  788.422  186.683   10.455   4.5375   10.455   4.5375   0.0000   0.0000  788.422  186.683  ?   ?  0.000000 186.6832 
1 1 1   23   22    9 o  845.137  163.219   11.868   4.1629   12.837   4.5511   6.9012   10.301  877.488  171.786  756.651  297.270 120.8377 343.3368 
1 1 1   23   22   11 o  762.670  180.990   9.8212   4.2573   10.919   4.6844   4.6103   10.205  802.859  189.400  708.540  289.728 94.31897 346.1426 
1 1 1   23   22   13 o  530.005  181.359   4.2837   3.6209   4.3798   3.8523   3.5548   10.608  539.198  186.936  696.192  291.017 -156.9946 345.8839 
1 1 1   23   22   15 o  352.827  149.342   0.2544   2.8494  -0.4839   2.9632   9.3201   10.383  338.119  147.743  794.442  302.035 -456.3229 336.2342 
1 1 1   23   22   17 o  538.442  179.592   4.5906   3.5500   6.2167   3.7638  -8.5187   10.687  609.025  182.773  534.741  251.095 74.28357 310.5716 
1 1 1   23   22   19 o  215.232  106.114  -5.4217   2.5587  -5.8328   2.6412   0.8529   10.319  215.665  106.602  633.994  276.403 -418.3289 296.2479 
1 1 1   23   22   21 o  650.125  184.837   7.2735   3.9409   8.5275   4.2187  -1.3165   11.042  701.177  188.207  617.344  276.616 83.83344 334.5716 
1 1 1   23   22   23 o  385.642  159.678   0.9157   3.1505   1.7870   3.2722 -10.1541   11.664  419.501  166.670  535.311  254.616 -115.8101 304.3160 
1 1 1   23   22   25 o  1045.75  326.222   22.765   11.842   0.0000   0.0000   22.765   11.842  ?   ?   1045.75  326.222 0.000000 326.2220 
1 1 1   23   23    0 o  474.577  186.621   2.1893   4.0634   5.3833   4.4149 -15.5061   10.392  593.850  200.271  475.374  229.746 118.4762 304.7816 
1 1 1   23   23    2 o  841.043  183.299   11.813   4.6909   14.684   5.1036  -3.8099   11.906  940.752  179.811  639.096  286.739 301.6564 338.4543 
1 1 1   23   23    4 o  1426.12  131.257   32.604   5.7955   34.962   6.4696   23.023   13.040  1474.40  141.887  1139.40  339.811 334.9984 368.2435 
1 1 1   23   23    6 o  484.084  180.467   2.9590   3.6670   3.1195   3.8670   1.5276   11.550  496.662  185.291  698.101  298.252 -201.4391 351.1228 
1 1 1   23   23    8 o  879.090  185.536   12.966   4.9467   14.311   5.4214   6.2778   12.088  922.318  193.877  783.522  317.214 138.7960 371.7707 
1 1 1   23   23   10 o  652.372  186.005   7.1049   3.9850   9.9475   4.2324 -15.0980   11.828  768.757  179.144  520.001  249.770 248.7560 307.3717 
1 1 1   23   23   12 o  587.257  184.044   5.6073   3.7643   4.0332   3.9798   18.969   11.595  530.440  189.489  1029.09  323.095 -498.6467 374.5618 
1 1 1   23   23   14 o  468.005  172.672   2.9020   3.3399   1.6878   3.5009   15.195   11.139  431.618  172.109  934.909  318.106 -503.2905 361.6812 
1 1 1   23   23   16 o  495.866  181.175   3.3902   3.6639   6.3381   3.8812 -20.7507   11.107  616.488  185.736  453.000  222.901 163.4883 290.1424 
1 1 1   23   23   18 o  1019.90  148.154   17.167   4.5930   17.587   4.9951   14.874   11.683  1028.17  160.389  918.175  325.017 109.9988 362.4372 
1 1 1   23   23   20 o  553.313  189.121   4.8191   3.9375   8.0098   4.2012 -18.2261   11.291  682.576  189.726  470.611  230.155 211.9650 298.2733 
1 1 1   23   23   22 o  406.955  165.779   1.2917   3.3253   1.0504   3.4851   3.7451   11.111  406.829  168.155  688.922  293.382 -282.0939 338.1553 
1 1 1   23   24    1 o  867.130  203.307   12.647   5.4243   12.647   5.4243   0.0000   0.0000  867.130  203.307  ?   ?  0.000000 203.3073 
1 1 1   23   24    3 f  1355.59  137.291   29.531   5.7472   27.662   6.3070   38.678   13.954  1306.27  157.362  1487.44  309.669 -181.1719 347.3579 
1 1 1   23   24    5 o  385.076  168.807  -0.7917   3.8962   0.9769   4.0972 -17.5047   12.595  439.910  182.117  528.324  254.740 -88.41391 313.1432 
1 1 1   23   24    7 o  401.289  172.416  -0.1156   3.8993  -0.7392   4.1007   5.7681   12.596  396.598  173.537  788.054  322.024 -391.4557 365.8068 
1 1 1   23   24    9 o  964.173  162.627   15.330   4.7351   15.195   5.0806   16.216   13.064  956.018  176.212  984.259  344.073 -28.24091 386.5710 
1 1 1   23   24   11 f  848.874  177.822   12.081   4.5752   11.989   4.9066   12.694   12.664  842.567  190.453  906.032  335.846 -63.46497 386.0890 
1 1 1   23   24   13 o  607.541  181.375   6.1016   3.7136   5.8280   3.9135   8.5763   11.769  598.369  187.679  811.340  318.055 -212.9703 369.3002 
1 1 1   23   24   15 o  286.036  133.566  -2.7257   2.9536  -3.1390   3.0794   2.0250   10.440  286.335  134.560  667.349  284.298 -381.0142 314.5339 
1 1 1   23   24   17 o  425.676  173.436   1.3246   3.6404   0.7131   3.8421   6.6948   11.385  417.297  174.845  761.747  308.044 -344.4503 354.2062 
1 1 1   23   24   19 o  543.930  187.095   4.5731   3.8552   2.3229   4.0932   22.252   11.473  473.494  186.951  1088.22  317.228 -614.7306 368.2180 
1 1 1   23   25    0 o  626.951  214.571   5.9411   5.0686   10.814   5.5004 -21.4930   13.050  802.235  214.720  516.102  251.315 286.1332 330.5514 
1 1 1   23   25    2 o  566.537  193.609   4.8154   4.1266   4.0230   4.3031   13.885   14.557  542.835  196.645  967.036  359.755 -424.2004 409.9914 
1 1 1   23   25    4 o  1067.78  174.360   18.755   5.6284   14.242   6.0778   45.930   14.915  918.096  215.170  1628.09  303.743 -709.9940 372.2339 
1 1 1   23   25    6 f  605.950  199.491   5.7514   4.3855   7.8045   4.6148 -13.3870   14.090  686.556  201.490  604.112  285.098 82.44415 349.1116 
1 1 1   23   25    8 o  376.456  167.290  -1.2929   3.9515  -1.5112   4.1453   0.8805   13.077  382.036  170.452  727.485  314.170 -345.4487 357.4303 
1 1 1   23   25   10 o  338.911  155.538  -2.5748   3.7556  -2.4094   3.9350  -4.2661   12.584  352.187  160.719  648.484  292.526 -296.2972 333.7692 
1 1 1   23   25   12 o  523.662  195.230   3.5394   4.2916   4.7117   4.5828  -4.8150   12.234  571.069  203.408  630.394  286.013 -59.32507 350.9670 
1 1 1   23   25   14 o  515.136  190.121   3.5372   4.0496   3.4642   4.3630   3.9911   10.881  522.493  196.443  713.718  296.235 -191.2244 355.4507 
1 1 1   23   25   16 o  479.692  185.149   2.6194   3.9409   2.4647   4.1823   3.8440   11.769  483.658  189.602  727.558  305.489 -243.9001 359.5451 
1 1 1   23   26    1 o  637.243  277.791  -0.8447   10.421  -7.9462   13.751   8.7338   15.970  648.191  297.531  907.632  365.611 -259.4411 471.3766 
1 1 1   23   26    3 o  395.599  170.780  -0.3085   3.8614   1.5976   3.9910 -28.2203   15.272  453.836  182.785  538.124  264.103 -84.28741 321.1861 
1 1 1   23   26    5 o  425.748  182.378  -0.0425   4.3395   0.2683   4.5504  -3.1647   14.423  443.071  188.195  715.265  318.625 -272.1945 370.0528 
1 1 1   23   26    7 o  530.862  201.321   3.3806   4.6059   4.7498   4.8848  -7.5933   13.829  582.519  209.735  650.903  298.627 -68.38367 364.9203 
1 1 1   23   26    9 o  710.329  211.295   8.3666   5.0466   13.244   5.4482 -21.1031   13.393  886.700  200.882  526.484  255.966 360.2158 325.3798 
1 1 1   23   26   11 o  532.965  197.206   3.7260   4.3626   3.8408   4.6477   2.8754   12.651  545.352  203.198  743.954  314.774 -198.6019 374.6628 
1 1 1   23   26   13 o  812.383  187.872   11.127   4.6838   12.749   5.0281   0.4893   12.878  869.959  189.911  712.985  309.830 156.9740 363.4017 
1 1 1   23   27    0 o  866.224  357.566   5.9679   15.728   0.0000   0.0000   5.9679   15.728  ?   ?   866.224  357.566 0.000000 357.5659 
1 1 1   23   27    2 o  525.759  254.821 -20.0363   13.002   0.0000   0.0000 -20.0363   13.002  ?   ?   525.759  254.821 0.000000 254.8208 
1 1 1   23   27    4 o  753.083  325.484   0.4733   14.059   0.0000   0.0000   0.4733   14.059  ?   ?   753.083  325.484 0.000000 325.4845 
1 1 1   23   27    6 o  795.969  298.640   8.5653   10.073   2.2073   14.869   13.958   13.695  792.907  338.570  959.409  350.308 -166.5024 487.1804 
1 1 1   23   27    8 o  868.399  194.413   12.639   5.1547   15.813   5.5683  -6.3813   13.630  974.840  189.244  658.722  300.028 316.1185 354.7254 
1 1 1   23   28    1 o  755.367  303.055   5.3816   10.925   6.0393   16.661   4.8855   14.470  887.271  367.279  826.719  342.248 60.55182 502.0233 
1 1 1   24    0    0 o  1444.48  103.906   33.493   4.6438   33.493   4.6438   33.493   4.6438  1444.48  103.906  1444.48  103.906 -0.000000 0.000000 
1 1 1   24    0    2 o  519.674  202.891   5.9484   3.1536   5.9484   3.1536   5.9484   3.1536  519.674  202.891  519.674  202.891 -0.000000 0.000000 
1 1 1   24    0    4 f  730.582  143.321   9.3984   2.9184   9.3984   2.9184   9.3984   2.9184  730.582  143.321  730.582  143.321 -0.000000 0.000000 
1 1 1   24    0    6 o  102.958   74.537  -2.5177   1.2779  -2.5177   1.2779  -2.5177   1.2779  102.958   74.537  102.958   74.537 -0.000000 0.000000 
1 1 1   24    0    8 o  205.299  134.728  -0.2912   2.1734  -0.2912   2.1734  -0.2912   2.1734  205.299  134.728  205.299  134.728 -0.000000 0.000000 
1 1 1   24    0   10 o  1121.29  187.990   21.910   6.0428   21.910   6.0428   21.910   6.0428  1121.29  187.990  1121.29  187.990 -0.000000 0.000000 
1 1 1   24    0   12 o  585.896  254.005   8.0658   4.8123   8.0658   4.8123   8.0658   4.8123  585.896  254.005  585.896  254.005 -0.000000 0.000000 
1 1 1   24    0   14 o  1556.94  109.875   38.941   5.2953   38.941   5.2953   38.941   5.2953  1556.94  109.875  1556.94  109.875 -0.000000 0.000000 
1 1 1   24    0   16 o  375.186  201.002   3.2892   3.2389   3.2892   3.2389   3.2892   3.2389  375.186  201.002  375.186  201.002 -0.000000 0.000000 
1 1 1   24    0   18 o  158.861  112.182  -2.6892   2.2501  -2.6892   2.2501  -2.6892   2.2501  158.861  112.182  158.861  112.182 -0.000000 0.000000 
1 1 1   24    0   20 o  528.986  221.958   6.3753   3.6938   6.3753   3.6938   6.3753   3.6938  528.986  221.958  528.986  221.958 -0.000000 0.000000 
1 1 1   24    0   22 o  882.957  197.765   14.217   4.7741   14.217   4.7741   14.217   4.7741  882.957  197.765  882.957  197.765 -0.000000 0.000000 
1 1 1   24    0   24 o  181.480  128.103  -3.4334   2.9240  -3.4334   2.9240  -3.4334   2.9240  181.480  128.103  181.480  128.103 -0.000000 0.000000 
1 1 1   24    0   26 o  835.265  145.079   12.035   3.4514   12.035   3.4514   12.035   3.4514  835.265  145.079  835.265  145.079 -0.000000 0.000000 
1 1 1   24    0   28 o  530.066  194.247   6.0043   2.9766   6.0043   2.9766   6.0043   2.9766  530.066  194.247  530.066  194.247 -0.000000 0.000000 
1 1 1   24    0   30 o  282.007  184.309  -0.2580   4.0062  -0.2580   4.0062  -0.2580   4.0062  282.007  184.309  282.007  184.309 -0.000000 0.000000 
1 1 1   24    0   32 o  580.987  207.813   7.2435   3.4529   7.2435   3.4529   7.2435   3.4529  580.987  207.813  580.987  207.813 -0.000000 0.000000 
1 1 1   24    0   34 f  297.196  183.666   1.2849   3.3693   1.2849   3.3693   1.2849   3.3693  297.196  183.666  297.196  183.666 -0.000000 0.000000 
1 1 1   24    0   36 o  448.316  221.147   5.0514   3.7180   5.0514   3.7180   5.0514   3.7180  448.316  221.147  448.316  221.147 -0.000000 0.000000 
1 1 1   24    0   38 f  310.936  202.501   0.2941   4.7730   0.2941   4.7730   0.2941   4.7730  310.936  202.501  310.936  202.501 -0.000000 0.000000 
1 1 1   24    0   40 o  242.003  164.134  -1.4813   3.7231  -1.4813   3.7231  -1.4813   3.7231  242.003  164.134  242.003  164.134 -0.000000 0.000000 
1 1 1   24    0   42 o  270.472  185.339  -2.3812   5.0145  -2.3812   5.0145  -2.3812   5.0145  270.472  185.339  270.472  185.339 -0.000000 0.000000 
1 1 1   24    1    1 o  475.463  110.651   3.7618   1.6165   2.9829   2.3849   4.4238   2.1985  438.517  147.199  513.441  134.967 -74.92371 199.7090 
1 1 1   24    1    3 o  1220.26   85.465   23.767   3.2449   24.708   5.5181   23.269   4.0119  1222.22  147.142  1200.59  107.870 21.62659 182.4468 
1 1 1   24    1    5 o  1865.89   77.227   55.216   4.5120   54.526   6.3775   55.907   6.3845  1838.45  111.309  1862.31  109.974 -23.85693 156.4734 
1 1 1   24    1    7 o  325.194  118.202   1.4331   1.5566   0.7142   1.9555   2.6765   2.5719  312.999  127.274  427.466  152.368 -114.4664 198.5308 
1 1 1   24    1    9 o  2535.69  119.967  104.171   9.5252  116.316   13.655   92.661   13.293  2634.67  166.378  2334.23  183.349 300.4412 247.5857 
1 1 1   24    1   11 o  1205.37   88.280   23.293   3.3088   25.691   4.1451   19.082   5.4931  1259.83  106.064  1056.07  172.036 203.7588 202.1041 
1 1 1   24    1   13 o  324.806  125.536   1.1669   1.8136   4.3425   2.3135  -3.8964   2.9212  507.029  140.738  260.539  124.873 246.4900 188.1502 
1 1 1   24    1   15 o  850.773   98.701   11.725   2.5805   11.652   3.1963   11.861   4.3733  839.734  125.400  829.188  173.989 10.54694 214.4698 
1 1 1   24    1   17 o  1329.56   87.822   28.279   3.6356   25.908   4.4851   32.821   6.2082  1262.86  114.674  1409.34  142.644 -146.4760 183.0228 
1 1 1   24    1   19 o  254.824  114.561  -0.8262   1.9110  -0.8262   1.9110   0.0000   0.0000  254.824  114.561  ?   ?  0.000000 114.5608 
1 1 1   24    1   21 o  698.518  110.646   8.0587   2.3394   10.472   2.8828   3.4037   4.0035  795.214  119.469  496.474  187.835 298.7399 222.6090 
1 1 1   24    1   23 o  318.904  127.264   0.9422   1.9156   3.5223   2.3040  -4.8345   3.4475  460.189  143.948  277.125  133.536 183.0631 196.3491 
1 1 1   24    1   25 o  429.893  153.665   2.7856   2.6177   4.3521   3.7409   1.2829   3.6641  519.978  183.931  414.892  172.029 105.0864 251.8422 
1 1 1   24    1   27 o  780.570  142.448   10.457   3.3534   9.7709   4.7520   11.138   4.7327  727.506  201.625  780.209  194.426 -52.70313 280.0970 
1 1 1   24    1   29 o  1068.27  104.946   18.835   3.4651   19.094   4.2226   18.300   6.0637  1061.75  129.706  988.554  202.697 73.19690 240.6444 
1 1 1   24    1   31 o  694.178  160.299   8.8845   3.4139   8.8845   3.4139   0.0000   0.0000  694.178  160.299  ?   ?  0.000000 160.2993 
1 1 1   24    1   33 o  1022.28  148.714   19.326   4.6208   14.485   6.3084   24.930   6.7875  781.677  237.085  1091.67  206.119 -309.9931 314.1563 
1 1 1   24    1   35 o  484.238  167.565   4.8372   3.0946   3.2348   3.6715   8.7686   5.7510  428.427  174.322  581.603  223.892 -153.1762 283.7531 
1 1 1   24    1   37 o  244.539  120.236  -4.6545   3.2114  -4.6545   3.2114   0.0000   0.0000  244.539  120.236  ?   ?  0.000000 120.2362 
1 1 1   24    1   39 f  303.544  141.098  -0.3401   3.2371   1.7854   3.7003  -7.2698   6.6814  359.409  160.650  320.334  160.148 39.07489 226.8393 
1 1 1   24    1   41 o  666.964  210.602   14.316   4.9197   14.316   4.9197   0.0000   0.0000  666.964  210.602  ?   ?  0.000000 210.6017 
1 1 1   24    1   43 o  346.179  167.238   2.7215   5.4927   2.7215   5.4927   0.0000   0.0000  346.179  167.238  ?   ?  0.000000 167.2381 
1 1 1   24    2    0 o  805.924   83.931   10.409   2.0870   10.199   2.8740   10.643   3.0354  788.310  120.238  804.352  124.544 -16.04144 173.1137 
1 1 1   24    2    2 o  2266.97   81.324   81.504   5.7728   77.753   8.1525   85.276   8.1754  2195.23  119.047  2304.99  113.272 -109.7573 164.3252 
1 1 1   24    2    4 o  255.810  109.223   0.0152   1.5472  -0.9615   2.3604   0.7510   2.0488  284.439  127.640  320.790  130.339 -36.35156 182.4288 
1 1 1   24    2    6 o  574.663  111.728   5.4841   1.9380   6.3208   2.3981   3.9088   3.2906  613.375  128.954  500.119  172.804 113.2556 215.6163 
1 1 1   24    2    8 o  487.214  147.730   3.9571   2.4496   7.0557   4.2874   2.4553   2.9848  637.995  195.843  432.009  162.469 205.9856 254.4613 
1 1 1   24    2   10 o  332.069  120.699   1.5015   1.6231   0.3604   2.0563   3.3876   2.6436  305.242  127.905  461.907  154.977 -156.6647 200.9416 
1 1 1   24    2   12 o  1102.85   89.295   19.517   3.0571   19.078   3.8173   20.304   5.1050  1081.93  114.415  1100.64  152.201 -18.71326 190.4095 
1 1 1   24    2   14 f  814.279   98.347   10.749   2.4568   13.379   3.1017   6.3196   4.0248  905.567  111.755  608.761  190.229 296.8062 220.6274 
1 1 1   24    2   16 o  1350.55  109.019   29.488   4.5710   29.488   4.5710   0.0000   0.0000  1350.55  109.019  ?   ?  0.000000 109.0189 
1 1 1   24    2   18 o  705.232  108.867   8.1700   2.3267   8.4004   2.8628   7.7218   3.9931  707.473  134.140  665.422  184.971 42.05127 228.4902 
1 1 1   24    2   20 o  334.236  127.215   1.3374   1.8434   3.4530   2.2894  -2.5627   3.1084  457.994  143.528  295.591  137.689 162.4034 198.8935 
1 1 1   24    2   22 f  231.911  105.614  -0.9758   1.6883  -0.1931   2.0419  -2.6672   3.0016  283.885  123.367  286.295  133.998 -2.410461 182.1398 
1 1 1   24    2   24 o  894.210  127.332   13.343   3.4646   17.150   5.0315   9.9113   4.7777  995.566  167.338  738.932  201.109 256.6347 261.6240 
1 1 1   24    2   26 o  224.967  105.235  -1.6920   1.8468  -1.7792   2.2095  -1.4897   3.3641  250.725  116.555  329.936  149.804 -79.21074 189.8054 
1 1 1   24    2   28 o  713.597  122.355   8.6122   2.6355   8.9272   3.1787   7.9194   4.7142  716.155  146.685  654.177  206.115 61.97858 252.9816 
1 1 1   24    2   30 o  553.474  148.126   5.4821   2.6178   8.1294   3.0776  -1.4442   4.9781  674.696  149.600  396.786  180.954 277.9103 234.7866 
1 1 1   24    2   32 o  527.906  158.333   5.2407   2.8251   5.0569   3.3476   5.6957   5.2662  516.639  174.391  546.220  213.133 -29.58136 275.3871 
1 1 1   24    2   34 o  395.478  167.029   1.9299   3.5518  -1.4672   4.4469   7.9154   5.9028  352.654  164.409  574.685  225.259 -222.0316 278.8764 
1 1 1   24    2   36 o  328.235  149.406  -0.1204   3.3731  -0.1204   3.3731   0.0000   0.0000  328.235  149.406  ?   ?  0.000000 149.4059 
1 1 1   24    2   38 o  412.365  184.287   3.1760   4.8669   3.1760   4.8669   0.0000   0.0000  412.365  184.287  ?   ?  0.000000 184.2873 
1 1 1   24    2   40 o  311.270  154.676  -5.0916   5.8441  -5.0916   5.8441   0.0000   0.0000  311.270  154.676  ?   ?  0.000000 154.6756 
1 1 1   24    2   42 o  377.662  174.082   3.9906   4.7753   10.130   6.8955  -1.6669   6.6195  445.046  206.557  329.781  163.995 115.2657 263.7432 
1 1 1   24    3    1 o  790.766   84.427   10.032   2.0582   11.440   2.8304   8.4509   2.9982  838.339  110.517  710.268  139.787 128.0718 178.1980 
1 1 1   24    3    3 o  2041.54   79.133   66.089   5.0586   62.033   7.1129   70.241   7.1957  1960.36  116.398  2089.55  110.369 -129.1840 160.4055 
1 1 1   24    3    5 o  1347.41  104.753   29.267   4.3849   23.902   6.1563   34.791   6.2469  1188.86  170.235  1454.62  138.837 -265.7560 219.6721 
1 1 1   24    3    7 o  1429.16  107.893   33.002   4.7927   43.239   7.3337   25.371   6.3319  1616.89  146.441  1223.88  169.799 393.0104 224.2247 
1 1 1   24    3    9 o  1540.56   88.896   37.966   4.2700   36.464   5.2591   40.871   7.3146  1499.98  112.798  1568.27  150.813 -68.28345 188.3293 
1 1 1   24    3   11 o  817.266  125.962   11.063   3.1199   11.063   3.1199   0.0000   0.0000  817.266  125.962  ?   ?  0.000000 125.9623 
1 1 1   24    3   13 o  563.122  121.635   5.3117   2.0821   4.0901   2.5693   7.6484   3.5535  496.048  151.493  665.471  169.935 -169.4221 227.6579 
1 1 1   24    3   15 o  680.188  111.037   7.6136   2.2833   7.4623   2.7961   7.9164   3.9559  665.310  138.711  675.159  182.682 -9.849060 229.3766 
1 1 1   24    3   17 o  580.534  120.670   5.6340   2.1219   4.8502   2.5894   7.2367   3.7025  535.171  149.018  646.657  177.474 -111.4869 231.7403 
1 1 1   24    3   19 o  426.645  132.525   2.9730   1.9567   2.4709   2.3695   4.0493   3.4692  411.182  146.283  508.850  177.342 -97.66763 229.8892 
1 1 1   24    3   21 o  610.090  128.528   6.2836   2.3778   9.4217   2.8352  -1.1572   4.3658  751.868  124.805  390.430  174.509 361.4381 214.5457 
1 1 1   24    3   23 o  838.346  105.801   11.512   2.7155   12.564   3.3357   9.4458   4.6758  868.612  126.347  724.134  199.732 144.4780 236.3397 
1 1 1   24    3   25 o  257.316  110.600  -0.0242   1.6056  -1.0568   2.2104   1.1293   2.3362  269.216  121.914  349.057  140.106 -79.84058 185.7222 
1 1 1   24    3   27 o  1431.17   92.590   33.129   4.1270   30.679   5.0427   38.099   7.1820  1362.66  119.389  1493.26  155.901 -130.5975 196.3638 
1 1 1   24    3   29 o  617.116  128.408   6.5702   2.4005   8.0339   3.2350   4.7765   3.5810  671.089  156.777  525.351  180.342 145.7379 238.9606 
1 1 1   24    3   31 o  475.359  173.660   3.8580   3.3661   1.5828   4.5712   6.5533   4.9753  436.877  187.164  581.865  211.347 -144.9875 282.3081 
1 1 1   24    3   33 o  268.557  124.592  -1.4513   2.5050  -0.6050   2.8853  -4.0415   5.0479  308.859  139.629  343.511  164.510 -34.65262 215.7777 
1 1 1   24    3   35 o  251.878  119.901  -2.3081   2.5971  -3.2210   3.0227   0.2658   5.0757  259.874  125.178  392.388  180.353 -132.5144 219.5376 
1 1 1   24    3   37 o  374.725  156.240   2.2675   3.0464   0.7241   3.6531   5.7917   5.5202  349.783  157.714  480.589  205.779 -130.8061 259.2658 
1 1 1   24    3   39 o  576.074  227.402   11.930   6.0549   11.930   6.0549   0.0000   0.0000  576.074  227.402  ?   ?  0.000000 227.4017 
1 1 1   24    3   41 o  501.353  177.896   7.1261   3.5021   7.4274   4.5212   6.6741   5.5374  471.994  192.905  435.528  195.466 36.46573 274.6257 
1 1 1   24    3   43 o  367.069  163.555   3.9515   3.8029   9.7265   7.3487   1.8393   4.4443  410.153  196.971  330.934  157.336 79.21927 252.0953 
1 1 1   24    4    0 o  823.325   98.870   10.954   2.4979   10.645   3.1440   11.484   4.1134  802.766  129.484  822.475  165.452 -19.70862 210.0961 
1 1 1   24    4    2 o  1417.52   76.160   31.912   3.3681   28.945   4.7477   34.918   4.7788  1337.80  114.440  1474.06  104.206 -136.2670 154.7750 
1 1 1   24    4    4 o  668.602  113.172   7.3699   2.2848   6.2923   2.8642   9.2555   3.7886  607.888  151.124  733.796  168.450 -125.9078 226.3047 
1 1 1   24    4    6 o  949.370  169.355   15.373   4.8498   0.0000   0.0000   15.373   4.8498  ?   ?   949.370  169.355 0.000000 169.3547 
1 1 1   24    4    8 o  790.629   98.857   10.148   2.3939   9.7032   2.9878   10.946   4.0006  763.371  129.632  798.864  165.381 -35.49310 210.1316 
1 1 1   24    4   10 o  1323.36   88.855   28.027   3.6606   28.341   4.5247   27.432   6.2277  1323.16  110.212  1279.58  158.852 43.58521 193.3402 
1 1 1   24    4   12 o  1143.18  110.344   21.181   3.9007   21.181   3.9007   0.0000   0.0000  1143.18  110.344  ?   ?  0.000000 110.3437 
1 1 1   24    4   14 o  289.430  116.044   0.6881   1.6007  -0.9376   1.9960   3.6181   2.6796  258.644  116.604  475.198  155.912 -216.5536 194.6920 
1 1 1   24    4   16 o  835.899  101.045   11.328   2.5911   10.749   3.1786   12.475   4.4732  804.912  130.592  852.451  173.484 -47.53943 217.1434 
1 1 1   24    4   18 o  861.934   88.947   11.957   2.3661   13.091   3.2637   10.699   3.4352  893.001  119.734  798.104  142.699 94.89673 186.2776 
1 1 1   24    4   20 o  822.792   90.973   10.937   2.3046   8.8506   3.1662   13.288   3.3609  722.111  145.063  897.447  122.822 -175.3354 190.0748 
1 1 1   24    4   22 f  1320.94   91.288   28.050   3.7527   24.539   4.6053   34.986   6.4739  1222.58  121.926  1448.96  144.621 -226.3767 189.1590 
1 1 1   24    4   24 o  874.082  106.472   12.515   2.8539   11.578   3.5099   14.342   4.9025  827.117  140.552  903.502  179.614 -76.38464 228.0706 
1 1 1   24    4   26 o  385.471  139.439   2.1465   2.1625   3.2545   2.6154  -0.2480   3.8448  451.139  154.134  382.778  167.748 68.36041 227.8083 
1 1 1   24    4   28 o  1331.10   94.064   28.783   3.8953   28.627   4.8315   29.073   6.5845  1313.58  118.749  1289.98  166.929 23.60242 204.8579 
1 1 1   24    4   30 o  326.443  134.568   0.8465   2.2238  -0.7408   2.7864   3.6309   3.6906  309.230  138.729  478.400  180.502 -169.1691 227.6546 
1 1 1   24    4   32 o  590.123  143.080   6.4109   2.6165   4.8991   3.3997   8.6073   4.0979  508.979  175.660  652.591  189.399 -143.6119 258.3188 
1 1 1   24    4   34 o  720.841  139.153   9.7220   3.0271   6.8635   3.8908   14.106   4.8185  564.664  187.997  813.861  192.157 -249.1979 268.8257 
1 1 1   24    4   36 o  987.302  117.293   17.751   3.5552   17.035   4.4648   18.990   5.8769  913.212  162.074  885.717  214.240 27.49481 268.6384 
1 1 1   24    4   38 o  258.829  130.589 -10.9336   4.9998 -10.9336   4.9998   0.0000   0.0000  258.829  130.589  ?   ?  0.000000 130.5893 
1 1 1   24    4   40 o  307.089  136.905   0.8242   2.6685  -1.2373   3.8942   2.6490   3.6638  304.251  145.379  371.944  163.358 -67.69354 218.6799 
1 1 1   24    4   42 o  544.372  170.896   8.1406   3.2441   11.101   4.8095   5.6692   4.3942  543.954  205.857  415.083  180.680 128.8710 273.9026 
1 1 1   24    5    1 o  321.734  127.072   0.9834   1.8916   1.8080   2.2054  -1.3120   3.6795  375.484  139.959  356.344  159.673 19.13995 212.3298 
1 1 1   24    5    3 o  493.891  134.653   4.0918   2.1396   6.9797   2.4919  -4.0122   4.1743  646.556  127.616  332.391  156.352 314.1646 201.8211 
1 1 1   24    5    5 f  728.099  131.124   8.8397   2.8795   8.8397   2.8795   0.0000   0.0000  728.099  131.124  ?   ?  0.000000 131.1235 
1 1 1   24    5    7 o  1445.76  113.127   33.830   5.0805   33.830   5.0805   0.0000   0.0000  1445.76  113.127  ?   ?  0.000000 113.1268 
1 1 1   24    5    9 o  701.514  135.200   8.2526   2.8621   8.2526   2.8621   0.0000   0.0000  701.514  135.200  ?   ?  0.000000 135.2003 
1 1 1   24    5   11 o  926.311  122.192   14.070   3.4577   14.070   3.4577   0.0000   0.0000  926.311  122.192  ?   ?  0.000000 122.1918 
1 1 1   24    5   13 o  1984.72  113.912   63.486   7.0496   63.486   7.0496   0.0000   0.0000  1984.72  113.912  ?   ?  0.000000 113.9118 
1 1 1   24    5   15 o  1261.68  114.029   25.773   4.4562   25.773   4.4562   0.0000   0.0000  1261.68  114.029  ?   ?  0.000000 114.0289 
1 1 1   24    5   17 o  467.841  133.158   3.6511   2.0441   4.3260   2.4403   2.0638   3.7423  507.694  145.815  448.204  178.188 59.49026 230.2457 
1 1 1   24    5   19 o  432.978  134.092   3.0651   2.0049   3.1185   2.3878   2.9377   3.6914  443.525  147.257  474.015  180.117 -30.49026 232.6519 
1 1 1   24    5   21 o  752.229  112.806   9.3224   2.5751   7.2743   3.1556   13.406   4.4555  649.684  156.889  882.846  167.296 -233.1619 229.3513 
1 1 1   24    5   23 o  651.269  126.150   7.1354   2.4796   4.6686   3.0425   12.015   4.2793  525.996  165.561  831.431  170.104 -305.4351 237.3732 
1 1 1   24    5   25 o  996.691  100.827   16.163   3.1034   15.191   3.8482   17.970   5.2484  953.167  132.522  1018.43  170.616 -65.26776 216.0369 
1 1 1   24    5   27 o  1185.46   96.053   22.821   3.5348   20.306   4.3431   27.754   6.0837  1102.53  128.197  1273.17  155.859 -170.6407 201.8077 
1 1 1   24    5   29 o  933.998  106.758   14.478   3.0661   14.890   3.9049   13.816   4.9515  930.371  138.242  863.907  188.355 66.46454 233.6416 
1 1 1   24    5   31 o  307.005  128.629   0.6081   2.0793  -2.6197   2.8634   4.2089   3.0243  270.776  128.011  484.443  165.746 -213.6671 209.4243 
1 1 1   24    5   33 o  464.072  145.234   4.0256   2.3450   5.1588   3.1482   2.6131   3.5146  512.555  169.035  420.461  170.760 92.09393 240.2741 
1 1 1   24    5   35 o  167.880   84.668  -6.1423   2.0896   0.0000   0.0000  -6.1423   2.0896  ?   ?   167.880   84.668 0.000000 84.66788 
1 1 1   24    5   37 o  227.466  107.724  -1.6499   2.0445   1.2026   3.4640  -3.1747   2.5326  356.170  157.531  229.588  111.549 126.5818 193.0264 
1 1 1   24    5   39 o  841.510  109.547   13.212   2.8181   18.517   4.4941   9.7745   3.6177  918.025  162.278  638.588  175.501 279.4376 239.0287 
1 1 1   24    5   41 o  444.290  188.336   6.2563   4.5424   6.2563   4.5424   0.0000   0.0000  444.290  188.336  ?   ?  0.000000 188.3356 
1 1 1   24    6    0 o  1060.69   94.688   18.054   3.1118   19.213   3.7399   15.445   5.6097  1089.60  111.175  943.948  196.194 145.6479 225.5041 
1 1 1   24    6    2 o  991.186   97.334   15.815   2.9819   16.437   3.5728   14.385   5.4136  1005.18  115.619  909.283  195.919 95.89966 227.4903 
1 1 1   24    6    4 o  1229.81   90.828   24.207   3.4729   20.672   4.1974   31.878   6.1837  1126.32  120.907  1390.95  144.065 -264.6324 188.0777 
1 1 1   24    6    6 o  519.916  145.955   4.5511   2.4735   4.5511   2.4735   0.0000   0.0000  519.916  145.955  ?   ?  0.000000 145.9554 
1 1 1   24    6    8 o  332.056  132.738   0.9667   2.0875   0.9667   2.0875   0.0000   0.0000  332.056  132.738  ?   ?  0.000000 132.7378 
1 1 1   24    6   10 o  580.592  146.015   5.7101   2.6519   5.7101   2.6519   0.0000   0.0000  580.592  146.015  ?   ?  0.000000 146.0152 
1 1 1   24    6   12 o  431.875  148.670   2.8222   2.4345   2.8222   2.4345   0.0000   0.0000  431.875  148.670  ?   ?  0.000000 148.6701 
1 1 1   24    6   14 o  476.346  145.711   3.7272   2.3758   3.7272   2.3758   0.0000   0.0000  476.346  145.711  ?   ?  0.000000 145.7113 
1 1 1   24    6   16 o  353.443  128.089   1.7061   1.8260   0.2247   2.4044   3.7249   2.8067  323.527  137.076  483.338  159.615 -159.8117 210.3969 
1 1 1   24    6   18 o  1284.12   89.211   26.380   3.5648   28.144   4.4598   23.259   5.9324  1319.79  108.891  1174.98  165.855 144.8090 198.4063 
1 1 1   24    6   20 o  450.924  128.034   3.3962   1.8922   4.1118   2.6118   2.6058   2.7450  496.939  152.907  429.885  156.857 67.05457 219.0538 
1 1 1   24    6   22 o  397.389  133.266   2.4654   1.9548  -2.4397   2.5804   9.0718   2.9946  263.871  123.738  734.153  135.251 -470.2818 183.3137 
1 1 1   24    6   24 o  390.851  140.443   2.2061   2.1893   1.7385   3.2266   2.6050   2.9803  413.283  165.090  435.712  162.642 -22.42914 231.7482 
1 1 1   24    6   26 f  503.503  137.619   4.3394   2.2316   3.7092   2.9603   5.1691   3.3965  479.258  163.982  548.777  175.172 -69.51904 239.9484 
1 1 1   24    6   28 o  466.336  138.420   3.7304   2.1675   2.8725   2.9317   4.7648   3.2191  438.963  161.808  524.359  170.832 -85.39603 235.2984 
1 1 1   24    6   30 o  297.474  125.001   0.4700   1.9730   2.3609   2.6529  -1.8708   2.9516  403.103  152.808  292.325  135.486 110.7781 204.2223 
1 1 1   24    6   32 o  954.944   98.057   15.356   2.8904   16.400   4.0185   14.237   4.1606  955.987  138.261  873.428  157.941 82.55878 209.9085 
1 1 1   24    6   34 o  855.811  150.265   13.957   3.8798   15.564   6.5482   13.087   4.8163  779.655  242.480  775.299  197.762 4.356140 312.9002 
1 1 1   24    6   36 o  1041.95   97.233   18.893   3.1357   23.831   4.6608   14.809   4.2383  1121.27  135.496  846.770  165.781 274.5013 214.1086 
1 1 1   24    6   38 o  673.323  132.052   8.9179   2.6846   11.480   4.3458   7.3368   3.4139  678.193  194.530  557.471  175.362 120.7224 261.9041 
1 1 1   24    6   40 o  459.498  150.815   4.8329   2.5072   5.8805   4.3653   4.3173   3.0627  454.591  188.071  423.994  163.341 30.59726 249.1004 
1 1 1   24    6   42 o  334.047  145.207   2.1295   2.8304   6.0922   7.0862   1.3773   3.0874  402.298  193.258  318.749  144.238 83.54916 241.1497 
1 1 1   24    7    1 o  943.384   98.931   14.345   2.8789   15.536   3.4170   11.430   5.3445  977.839  113.723  805.785  209.774 172.0540 238.6168 
1 1 1   24    7    3 o  2056.56   91.428   67.313   5.8876   61.256   7.1460   80.115   10.388  1948.20  117.694  2208.21  151.152 -260.0023 191.5697 
1 1 1   24    7    5 o  903.632  131.645   13.469   3.6154   15.961   5.1355   11.020   5.0908  967.798  175.947  792.174  204.000 175.6237 269.3942 
1 1 1   24    7    9 o  1625.67   90.729   42.144   4.6000   39.939   5.6425   46.513   7.9431  1573.63  115.315  1681.09  152.558 -107.4594 191.2371 
1 1 1   24    7   11 o  641.456  142.541   6.9240   2.7887   6.9240   2.7887   0.0000   0.0000  641.456  142.541  ?   ?  0.000000 142.5406 
1 1 1   24    7   13 o  445.934  150.438   3.0699   2.4911   3.0699   2.4911   0.0000   0.0000  445.934  150.438  ?   ?  0.000000 150.4383 
1 1 1   24    7   15 o  582.584  158.754   5.7514   2.9750   5.7514   2.9750   0.0000   0.0000  582.584  158.754  ?   ?  0.000000 158.7541 
1 1 1   24    7   17 f  523.386  144.221   4.6115   2.4393   7.4718   2.8495  -3.2323   4.7188  665.973  141.037  372.651  172.219 293.3223 222.6003 
1 1 1   24    7   19 o  302.499  124.586   0.5310   1.9040   0.3605   3.0759   0.6369   2.4242  365.272  154.917  338.352  140.080 26.91974 208.8585 
1 1 1   24    7   21 o  594.540  116.169   5.8912   2.0851   7.5710   2.9338   4.1766   2.9640  667.390  144.573  504.727  163.898 162.6622 218.5493 
1 1 1   24    7   23 o  663.781  111.822   7.2923   2.2416   6.7707   3.1598   7.8207   3.1804  625.809  160.483  674.540  153.968 -48.73029 222.3982 
1 1 1   24    7   25 o  1955.99   84.748   61.113   5.1905   61.995   7.1909   60.154   7.4999  1948.58  118.416  1914.27  125.824 34.30640 172.7831 
1 1 1   24    7   27 o  589.551  132.059   5.9659   2.3773   5.5144   3.0840   6.6271   3.7320  560.676  164.764  609.234  181.811 -48.55756 245.3620 
1 1 1   24    7   29 o  496.395  137.956   4.3265   2.2215   4.1453   3.1658   4.5024   3.1180  491.982  169.525  506.854  168.274 -14.87192 238.8615 
1 1 1   24    7   31 o  530.922  141.201   5.1277   2.3881   8.0454   3.2333   1.6251   3.5426  656.496  158.978  402.149  168.147 254.3467 231.4031 
1 1 1   24    7   33 f  512.401  148.079   4.9956   2.5097   1.2012   3.4411   9.3074   3.6683  377.112  161.997  683.193  171.681 -306.0811 236.0456 
1 1 1   24    7   35 o  654.870  122.995   7.8700   2.4295   13.183   3.7687   4.0923   3.1780  822.589  151.911  454.837  168.311 367.7520 226.7276 
1 1 1   24    7   37 o  300.576  130.661   0.5945   2.2919   3.3094   4.1857  -0.5680   2.7390  422.627  180.027  289.804  132.938 132.8235 223.7903 
1 1 1   24    7   39 o  353.110  144.785   2.1637   2.5572  -4.4667   4.2432   5.9453   3.2046  282.964  138.942  497.022  170.600 -214.0581 220.0208 
1 1 1   24    7   41 o  393.083  151.291   3.5871   2.6256   3.7584   4.5627   3.5024   3.2103  393.200  176.870  386.749  160.747 6.451416 239.0039 
1 1 1   24    8    0 o  152.668   74.619  -2.2264   1.1815  -1.7560   1.5782  -2.8262   1.7822  201.971   95.347  196.550   95.030 5.420120 134.6169 
1 1 1   24    8    2 o  395.716  118.945   2.5457   1.5931   2.9197   2.2056   2.1378   2.3035  430.845  141.454  395.178  143.766 35.66684 201.6883 
1 1 1   24    8    4 o  705.694  116.080   8.1852   2.4758   2.1023   4.6296   10.622   2.9300  484.609  196.272  804.897  119.916 -320.2873 230.0054 
1 1 1   24    8    6 o  507.008  115.492   4.2795   1.7925   1.5927   2.3608   7.9375   2.7546  373.613  143.544  690.532  132.212 -316.9192 195.1537 
1 1 1   24    8    8 o  1228.56  156.734   24.987   5.8920   24.987   5.8920   0.0000   0.0000  1228.56  156.734  ?   ?  0.000000 156.7340 
1 1 1   24    8   10 f  1306.19   91.518   27.220   3.7195   26.441   4.4848   28.935   6.6570  1281.05  112.961  1320.56  164.561 -39.51599 199.6005 
1 1 1   24    8   12 o  686.101  118.651   7.7473   2.4568   10.581   2.8823   0.2177   4.6982  804.696  117.886  441.393  189.440 363.3035 223.1248 
1 1 1   24    8   14 o  806.779  135.308   10.777   3.2972   10.777   3.2972   0.0000   0.0000  806.779  135.308  ?   ?  0.000000 135.3082 
1 1 1   24    8   16 o  621.081  151.377   6.5395   2.9171   6.5395   2.9171   0.0000   0.0000  621.081  151.377  ?   ?  0.000000 151.3766 
1 1 1   24    8   18 o  722.302  108.715   8.5369   2.3826   10.097   3.2102   6.6231   3.5552  778.125  136.744  621.679  175.146 156.4463 222.2052 
1 1 1   24    8   20 o  407.818  134.370   2.6163   1.9895   1.0162   2.5580   5.0662   3.1652  359.356  145.771  548.945  168.233 -189.5887 222.6021 
1 1 1   24    8   22 o  333.178  139.615   0.4617   2.4502   2.4453   2.7420  -7.3982   5.4582  422.967  156.376  348.704  168.026 74.26395 229.5344 
1 1 1   24    8   24 o  717.968  112.107   8.5100   2.4379   10.178   3.3419   6.6120   3.5644  775.524  142.883  616.364  175.978 159.1595 226.6803 
1 1 1   24    8   26 o  1067.99  100.020   18.553   3.3059   19.684   4.2535   16.827   5.2537  1088.20  127.232  978.778  177.977 109.4242 218.7778 
1 1 1   24    8   28 o  714.426  106.423   8.5098   2.3081   7.0867   3.3033   9.8672   3.2262  627.453  165.682  754.135  141.831 -126.6822 218.0975 
1 1 1   24    8   30 o  406.614  144.637   2.6758   2.3164  -1.6635   3.1974   7.4691   3.3605  309.256  142.513  632.465  167.161 -323.2093 219.6649 
1 1 1   24    8   32 o  631.248  131.358   7.1878   2.5119   10.066   3.8729   5.0979   3.3002  716.715  174.262  514.796  173.154 201.9192 245.6620 
1 1 1   24    8   34 o  304.159  128.184   0.7277   2.0846   2.1939   3.4268  -0.1337   2.6265  400.095  166.168  304.511  135.785 95.58475 214.5911 
1 1 1   24    8   36 f  508.901  170.200   5.5644   3.1883   11.308   3.8433  -7.1131   5.7098  732.707  170.689  319.355  157.648 413.3517 232.3522 
1 1 1   24    8   38 o  276.098  122.889   0.1035   2.1407  -2.9133   3.8483   1.4553   2.5761  292.426  140.952  335.361  141.977 -42.93472 200.0620 
1 1 1   24    8   40 o  290.881  127.458   0.7039   2.2191   3.6945   4.0386  -0.5894   2.6559  404.525  174.643  275.453  127.963 129.0718 216.5059 
1 1 1   24    9    1 o  487.167  124.520   3.9599   1.9067  -1.2302   2.9244   7.7978   2.5147  315.466  141.780  687.524  121.241 -372.0581 186.5503 
1 1 1   24    9    3 o  2114.32   94.812   71.071   6.2770   59.964   10.966   76.484   7.6551  1893.11  187.457  2183.97  112.320 -290.8627 218.5312 
1 1 1   24    9    5 o  255.426  110.680  -0.1909   1.6341  -0.4571   1.9351   0.4706   3.0504  269.634  118.565  369.618  155.378 -99.98355 195.4478 
1 1 1   24    9    7 o  502.838  115.866   4.2001   1.7868   4.5901   2.3866   3.7026   2.6953  524.211  141.919  482.307  156.267 41.90417 211.0933 
1 1 1   24    9    9 o  434.905  143.275   2.9468   2.2620   2.0533   2.6787   5.1675   4.2229  408.009  153.819  573.894  195.857 -165.8842 249.0384 
1 1 1   24    9   11 o  470.171  136.046   3.6440   2.1172   3.4872   2.4415   4.1194   4.2513  466.658  148.468  537.097  195.322 -70.43881 245.3435 
1 1 1   24    9   13 o  667.562  134.015   7.4216   2.7040   7.5211   3.1293   7.1286   5.3722  667.745  152.949  659.308  220.926 8.437195 268.7043 
1 1 1   24    9   15 o  412.319  142.659   2.5290   2.2430   2.5888   2.5234   2.3040   4.8957  424.507  150.966  500.421  202.129 -75.91360 252.2831 
1 1 1   24    9   17 o  348.573  141.749   0.8876   2.4258  -0.1956   2.7595   4.5721   5.0894  332.378  143.927  569.304  212.533 -236.9261 256.6816 
1 1 1   24    9   19 o  507.969  141.159   4.3328   2.3259   7.6240   3.0448  -0.2790   3.6043  670.708  148.864  376.188  163.693 294.5202 221.2597 
1 1 1   24    9   21 o  492.482  163.798   3.8832   2.9538   3.8832   2.9538   0.0000   0.0000  492.482  163.798  ?   ?  0.000000 163.7976 
1 1 1   24    9   23 o  1105.51   97.794   19.711   3.3503   14.563   4.1967   28.755   5.5632  930.420  149.083  1320.19  136.552 -389.7664 202.1688 
1 1 1   24    9   25 o  938.791   99.056   14.320   2.8679   18.128   4.1019   10.679   4.0112  1045.66  127.950  782.529  168.672 263.1259 211.7108 
1 1 1   24    9   27 o  339.608  135.939   1.1236   2.1927   0.6010   3.0288   1.6992   3.1784  363.773  153.973  405.198  163.145 -41.42493 224.3304 
1 1 1   24    9   29 o  610.913  141.807   6.6284   2.6604   4.5358   3.6445   9.0157   3.8926  511.158  181.465  694.521  178.133 -183.3625 254.2855 
1 1 1   24    9   31 o  391.143  141.277   2.4738   2.2187   6.2982   3.8525   0.5759   2.7139  567.471  186.981  337.114  144.314 230.3566 236.1958 
1 1 1   24    9   33 o  668.485  120.940   7.9633   2.4383   13.776   3.8937   4.2134   3.1275  857.933  150.424  472.363  168.058 385.5709 225.5458 
1 1 1   24    9   35 o  490.640  175.749   4.9838   3.4258   5.2782   4.3809   4.5203   5.4963  498.365  194.413  483.879  206.211 14.48605 283.4068 
1 1 1   24    9   37 f  262.062  118.306  -0.3411   2.0629   1.0975   3.6067  -1.0404   2.5148  360.984  160.148  269.360  124.919 91.62396 203.1063 
1 1 1   24    9   39 o  620.841  144.865   8.0265   2.7647   16.923   4.4409   2.3962   3.5329  875.722  168.063  378.379  163.350 497.3428 234.3683 
1 1 1   24   10    0 o  999.109   85.682   15.923   2.6546   16.710   3.8157   15.186   3.6955  1014.14  122.652  965.423  125.195 48.71948 175.2637 
1 1 1   24   10    2 o  1471.39   93.158   34.485   4.2699   32.216   7.5178   35.566   5.1879  1391.69  176.484  1488.73  112.113 -97.04248 209.0832 
1 1 1   24   10    4 o  1482.06   79.022   34.807   3.6539   32.504   5.1497   37.143   5.1854  1421.90  116.692  1522.87  109.473 -100.9750 160.0047 
1 1 1   24   10    6 o  1542.92   78.723   37.705   3.7907   35.166   5.3084   40.347   5.4149  1480.08  115.454  1587.83  109.580 -107.7473 159.1774 
1 1 1   24   10    8 o  1248.94   97.054   24.900   3.7657   24.827   6.6988   24.934   4.5533  1219.15  180.971  1244.05  118.313 -24.90063 216.2142 
1 1 1   24   10   10 o  378.160  131.195   2.0845   1.8976   0.4506   2.7705   3.5283   2.6044  354.365  148.476  472.639  153.644 -118.2742 213.6618 
1 1 1   24   10   12 o  454.358  142.973   3.3116   2.2691   2.9802   2.5354   4.6451   5.0862  444.192  151.758  575.935  212.967 -131.7426 261.5065 
1 1 1   24   10   14 o  1280.93  100.102   26.263   3.9831   25.925   4.7895   27.023   7.1727  1265.82  122.363  1266.86  186.386 -1.042236 222.9626 
1 1 1   24   10   16 o  611.466  147.998   6.3111   2.8032   9.5887   3.1748  -5.2802   5.9705  759.041  138.690  401.190  188.159 357.8516 233.7495 
1 1 1   24   10   18 f  444.971  149.484   3.0724   2.4595   2.8187   2.7308   4.1625   5.6604  441.071  157.027  572.260  221.611 -131.1891 271.6043 
1 1 1   24   10   20 o  1163.26   99.526   21.753   3.5903   17.906   4.5670   27.976   5.8088  1039.42  144.207  1302.71  144.858 -263.2933 204.4005 
1 1 1   24   10   22 o  236.064  109.788  -1.6835   1.9639  -0.7668   2.8591  -2.5025   2.7023  321.693  142.658  271.650  127.144 50.04300 191.0936 
1 1 1   24   10   24 o  335.453  134.303   1.0106   2.1407  -0.9973   3.2170   2.6063   2.8677  335.511  149.893  432.903  159.946 -97.39163 219.2050 
1 1 1   24   10   26 o  188.207   91.849  -3.1590   1.7706  -5.9604   2.6267  -0.8261   2.3971  211.204  104.737  287.745  128.910 -76.54080 166.0953 
1 1 1   24   10   28 f  467.671  142.345   3.7915   2.2711   5.3080   3.5050   2.6939   2.9818  544.951  178.291  430.111  162.255 114.8400 241.0690 
1 1 1   24   10   30 o  274.344  122.812  -0.5760   2.1712  -1.5322   3.3306   0.1307   2.8633  318.108  146.169  333.773  145.554 -15.66559 206.2798 
1 1 1   24   10   32 o  704.662  125.901   8.8175   2.6760   5.9221   4.2755   10.682   3.4313  544.845  196.214  759.784  149.551 -214.9389 246.7091 
1 1 1   24   10   34 o  251.366  119.653  -2.4571   2.5859  -1.9924   3.0153  -3.7492   5.0276  283.760  133.286  342.071  163.915 -58.31088 211.2663 
1 1 1   24   10   36 o  1049.79  105.148   19.365   3.4099   21.506   5.0881   17.620   4.5942  1035.42  162.269  935.541  162.740 99.87543 229.8165 
1 1 1   24   10   38 o  346.887  156.831   0.6114   3.6406   1.1533   4.0244  -1.8303   8.5424  368.061  165.784  409.063  200.083 -41.00214 259.8420 
1 1 1   24   10   40 o  345.290  149.635   1.7426   2.9873   0.0000   0.0000   1.7426   2.9873  ?   ?   345.290  149.635 0.000000 149.6348 
1 1 1   24   11    1 f  500.866  139.325   4.1539   2.2647   1.5980   4.4394   5.0530   2.6331  467.896  191.182  550.443  149.085 -82.54694 242.4395 
1 1 1   24   11    3 o  913.435   91.809   13.340   2.5904   16.201   3.7776   10.801   3.5588  999.956  123.258  807.568  146.116 192.3880 191.1602 
1 1 1   24   11    5 o  525.932  129.735   4.5998   2.1232   5.5877   3.0960   3.7227   2.9173  578.962  163.561  489.652  162.779 89.30969 230.7582 
1 1 1   24   11    7 o  1259.61   83.245   25.178   3.2648   21.963   4.5800   28.499   4.6551  1165.23  127.614  1333.38  112.546 -168.1523 170.1528 
1 1 1   24   11    9 o  818.244   94.670   10.747   2.3808   10.917   3.1683   10.528   3.6083  816.719  128.102  795.690  150.335 21.02936 197.5111 
1 1 1   24   11   11 o  580.874  129.930   5.6152   2.3041   8.0182   3.2365   3.1459   3.2809  691.233  153.527  474.739  171.748 216.4940 230.3647 
1 1 1   24   11   13 o  962.608  124.265   15.077   3.6581   15.077   3.6581   0.0000   0.0000  962.608  124.265  ?   ?  0.000000 124.2645 
1 1 1   24   11   15 o  276.610  125.693  -1.3391   2.3745  -1.3391   2.3745   0.0000   0.0000  276.610  125.693  ?   ?  0.000000 125.6933 
1 1 1   24   11   17 o  843.944  138.110   11.786   3.5234   11.786   3.5234   0.0000   0.0000  843.944  138.110  ?   ?  0.000000 138.1100 
1 1 1   24   11   19 o  536.211  164.613   4.7620   3.0290   4.7620   3.0290   0.0000   0.0000  536.211  164.613  ?   ?  0.000000 164.6128 
1 1 1   24   11   21 o  342.880  133.290   1.2552   2.0537   2.7019   3.0252   0.0186   2.7969  445.193  164.321  340.504  146.154 104.6886 219.9143 
1 1 1   24   11   23 o  1155.23   96.649   21.491   3.4640   23.730   4.9040   19.262   4.8935  1200.15  132.719  1072.61  149.789 127.5364 200.1275 
1 1 1   24   11   25 o  326.708  133.425   0.7959   2.1608  -1.4939   3.1195   2.9079   2.9960  316.892  144.025  446.821  163.743 -129.9298 218.0707 
1 1 1   24   11   27 o  606.654  137.332   6.4030   2.5480   7.3389   3.7320   5.5858   3.4873  634.409  179.698  560.013  177.363 74.39563 252.4856 
1 1 1   24   11   29 o  829.904  113.481   11.657   2.8717   13.203   4.3709   10.482   3.8092  847.260  170.654  755.975  165.508 91.28540 237.7300 
1 1 1   24   11   31 o  960.007  111.015   15.706   3.2756   15.218   5.4355   15.984   4.1046  866.631  203.736  944.433  143.298 -77.80157 249.0839 
1 1 1   24   11   33 o  552.106  184.168   6.1998   3.7332   5.4201   4.4015   8.1985   7.0472  521.817  197.066  594.831  241.714 -73.01349 311.8660 
1 1 1   24   11   35 o  403.133  149.268   2.8805   2.5003   9.9905   3.9865  -1.7298   3.2101  686.364  182.382  296.404  138.681 389.9602 229.1186 
1 1 1   24   11   37 o  351.848  142.464   1.8388   2.4384   4.2973   4.0311   0.4201   3.0622  455.621  183.631  329.651  146.833 125.9694 235.1172 
1 1 1   24   11   39 o  520.808  165.952   6.1885   3.0494   4.9926   4.7741   7.0127   3.9633  453.911  192.783  524.190  188.899 -70.27963 269.9038 
1 1 1   24   12    0 o  1511.77   91.914   36.284   4.3303   31.548   7.4871   38.665   5.3083  1383.11  176.934  1556.30  109.629 -173.1926 208.1444 
1 1 1   24   12    2 o  636.967  137.658   6.7383   2.6655   11.589   4.8048   4.5818   3.2036  826.926  189.608  534.752  170.064 292.1736 254.7015 
1 1 1   24   12    4 o  642.297  119.853   6.7745   2.3218   6.9302   3.3604   6.6322   3.2118  642.637  165.869  629.098  162.052 13.53931 231.8909 
1 1 1   24   12    6 o  234.830  108.765  -1.5752   1.8975   1.6124   2.6945  -4.7113   2.6726  392.701  152.669  233.563  113.733 159.1380 190.3759 
1 1 1   24   12    8 o  1169.72   87.387   21.748   3.1776   20.175   4.4839   23.335   4.5037  1115.90  130.807  1203.86  121.120 -87.95667 178.2708 
1 1 1   24   12   10 o  706.697  101.297   8.0809   2.1774   6.4606   2.9430   10.041   3.2366  620.766  152.506  780.278  137.494 -159.5119 205.3359 
1 1 1   24   12   12 o  332.330  135.552   0.7202   2.2268  -0.9482   3.3222   2.0812   3.0007  347.345  153.919  423.432  162.035 -76.08725 223.4864 
1 1 1   24   12   14 o  1002.66  101.089   16.135   3.1304   17.299   3.9313   14.116   5.1749  1032.42  124.094  910.985  187.662 121.4385 224.9807 
1 1 1   24   12   16 o  432.456  161.982   2.3784   2.9611   2.3784   2.9611   0.0000   0.0000  432.456  161.982  ?   ?  0.000000 161.9823 
1 1 1   24   12   18 o  543.216  166.280   4.8739   3.0932   4.8739   3.0932   0.0000   0.0000  543.216  166.280  ?   ?  0.000000 166.2804 
1 1 1   24   12   20 o  565.230  166.201   5.3676   3.1372   5.3676   3.1372   0.0000   0.0000  565.230  166.201  ?   ?  0.000000 166.2011 
1 1 1   24   12   22 o  1017.35  106.395   16.768   3.3391   12.196   4.9669   20.538   4.5105  834.429  193.809  1117.83  131.370 -283.3995 234.1366 
1 1 1   24   12   24 o  373.096  140.297   1.7996   2.2256   2.2997   3.3319   1.3967   2.9906  436.493  169.748  391.424  158.023 45.06860 231.9177 
1 1 1   24   12   26 o  383.971  143.407   2.0286   2.3176   5.8942   3.6358  -0.6174   3.0080  576.368  180.916  329.127  146.122 247.2410 232.5558 
1 1 1   24   12   28 o  598.721  149.005   6.4053   2.7823   9.0213   4.3345   4.5720   3.6286  689.041  193.135  514.281  181.229 174.7610 264.8492 
1 1 1   24   12   30 o  1021.51  108.891   17.588   3.4293   15.485   5.6387   18.823   4.3200  879.611  207.997  1037.15  136.327 -157.5353 248.6923 
1 1 1   24   12   32 o  728.821  267.631   13.598   8.0095   0.0000   0.0000   13.598   8.0095  ?   ?   728.821  267.631 0.000000 267.6309 
1 1 1   24   12   34 o  271.708  122.054  -0.4591   2.1642  -4.1663   3.7036   1.4634   2.6670  284.624  137.458  356.657  147.233 -72.03265 201.4255 
1 1 1   24   12   36 o  333.393  144.813   0.7434   2.8109   4.4501   8.2706   0.2593   2.9888  500.378  230.074  327.510  145.518 172.8681 272.2307 
1 1 1   24   12   38 o  717.816  138.785   10.087   3.0066   8.9629   4.4718   11.015   4.0616  594.539  201.554  695.013  183.810 -100.4740 272.7819 
1 1 1   24   13    1 o  1002.59  109.649   16.130   3.3862   12.202   6.0273   17.942   4.0932  844.304  224.212  1053.99  126.554 -209.6879 257.4631 
1 1 1   24   13    3 o  382.642  146.967   1.6137   2.4743  -4.5720   4.7053   3.9778   2.9089  355.898  166.956  502.475  162.292 -146.5772 232.8371 
1 1 1   24   13    5 o  579.216  148.755   5.5877   2.7120   6.3297   4.9943   5.2773   3.2297  634.125  213.013  567.021  169.115 67.10339 271.9820 
1 1 1   24   13    7 o  314.693  130.119   0.4722   2.0879  -3.5980   3.0789   3.9373   2.8408  278.447  131.963  498.789  160.307 -220.3420 207.6361 
1 1 1   24   13    9 o  1382.89   86.655   30.337   3.7334   27.256   5.3569   33.247   5.2059  1298.61  133.648  1440.62  116.400 -142.0132 177.2309 
1 1 1   24   13   11 o  503.665  136.092   4.2046   2.1972   3.1002   3.0873   5.3381   3.1277  467.630  166.910  567.681  165.673 -100.0508 235.1736 
1 1 1   24   13   13 o  636.285  125.534   6.6895   2.4123   9.6841   3.2670   3.0997   3.5769  764.701  141.656  483.023  178.598 281.6786 227.9556 
1 1 1   24   13   15 o  414.226  140.520   2.5845   2.1736   4.1150   2.9299   0.7111   3.2416  507.266  162.776  388.012  161.421 119.2545 229.2440 
1 1 1   24   13   17 f  588.173  170.973   5.7884   3.3369   4.7870   3.8359   8.9037   6.7657  552.573  186.678  733.184  247.920 -180.6115 310.3432 
1 1 1   24   13   19 o  834.523  181.075   11.903   4.5957   11.903   4.5957   0.0000   0.0000  834.523  181.075  ?   ?  0.000000 181.0752 
1 1 1   24   13   21 o  294.014  133.382  -1.3841   2.6599  -2.0560   2.8511   3.1265   7.3870  291.154  134.313  591.789  244.727 -300.6355 279.1619 
1 1 1   24   13   23 o  534.819  171.360   4.7921   3.2480   5.1591   3.6005   3.1883   7.5268  554.547  180.668  586.728  245.190 -32.18048 304.5638 
1 1 1   24   13   25 o  775.876  126.328   10.136   2.9635   9.2943   4.4272   10.819   3.9890  714.370  193.246  783.214  167.711 -68.84448 255.8728 
1 1 1   24   13   27 o  365.392  141.877   1.6435   2.3248   0.1354   3.3264   3.0835   3.2504  362.539  157.504  453.438  169.736 -90.89963 231.5554 
1 1 1   24   13   29 o  876.421  174.251   14.187   4.6136   0.0000   0.0000   14.187   4.6136  ?   ?   876.421  174.251 0.000000 174.2512 
1 1 1   24   13   31 o  449.808  150.476   3.5774   2.4922   6.2026   3.5677   1.0756   3.4828  567.495  179.361  384.692  164.050 182.8033 243.0694 
1 1 1   24   13   33 o  1293.22  101.013   28.272   4.0579   21.050   5.7832   35.276   5.6954  1030.29  186.112  1411.93  130.293 -381.6317 227.1869 
1 1 1   24   13   35 o  452.085  151.965   3.8861   2.5419   3.0640   3.6890   4.6293   3.5073  432.336  175.168  483.660  177.178 -51.32404 249.1502 
1 1 1   24   13   37 o  475.556  153.934   4.5834   2.6159   3.9675   3.8785   5.0974   3.5431  449.139  180.438  487.169  178.137 -38.03006 253.5558 
1 1 1   24   14    0 o  304.410  126.721   0.3468   1.9995   1.9656   2.7577  -1.4475   2.9034  410.528  155.756  311.290  140.458 99.23813 209.7340 
1 1 1   24   14    2 o  616.572  168.240   6.3280   3.3385   8.2030   5.2364   5.0439   4.3335  704.153  216.482  577.342  198.375 126.8117 293.6273 
1 1 1   24   14    4 o  682.974  135.228   7.6949   2.7896   3.0746   5.4403   9.3431   3.2493  547.201  215.696  752.467  143.136 -205.2668 258.8683 
1 1 1   24   14    6 o  573.650  147.111   5.4740   2.6551   7.5953   5.2212   4.7341   3.0836  681.656  217.143  540.569  166.113 141.0862 273.3946 
1 1 1   24   14    8 o  557.818  166.568   5.1008   3.1318   8.9425   5.7866   3.5094   3.7243  732.382  227.972  504.466  182.913 227.9160 292.2816 
1 1 1   24   14   10 o  445.494  143.551   3.1119   2.2769   2.6203   3.1898   3.6226   3.2510  452.734  168.407  494.746  171.717 -42.01212 240.5155 
1 1 1   24   14   12 o  325.772  139.073   0.0228   2.5078   0.3422   2.7596  -1.4920   6.0096  351.195  147.717  466.326  206.810 -115.1315 254.1474 
1 1 1   24   14   14 o  966.366  104.383   14.993   3.1084   10.540   4.9936   17.810   3.9717  785.226  201.954  1049.48  123.203 -264.2502 236.5685 
1 1 1   24   14   16 o  352.793  140.267   1.1036   2.3191   1.6309   3.4746   0.6799   3.1143  428.144  171.214  380.684  158.284 47.46045 233.1698 
1 1 1   24   14   18 o  916.699  116.355   13.638   3.2646   10.780   4.9348   15.862   4.3534  790.444  199.398  980.451  146.280 -190.0074 247.3002 
1 1 1   24   14   20 o  315.110  139.290  -0.6906   2.7044  -0.6906   2.7044   0.0000   0.0000  315.110  139.290  ?   ?  0.000000 139.2901 
1 1 1   24   14   22 o  854.681  147.844   12.328   3.8134   14.250   4.2178   3.7194   8.9255  918.581  151.952  632.104  265.754 286.4769 306.1287 
1 1 1   24   14   24 o  393.732  161.135   1.2858   3.1599   1.3222   3.4108   1.0654   8.3940  405.733  166.885  561.909  247.014 -156.1757 298.1055 
1 1 1   24   14   26 f  915.421  108.056   13.865   3.0376   15.349   4.0891   12.038   4.5374  946.157  142.438  813.855  182.549 132.3018 231.5444 
1 1 1   24   14   28 o  534.872  152.073   5.1101   2.6676   1.5409   3.5120   9.9770   4.1011  407.596  168.665  732.749  180.035 -325.1538 246.6995 
1 1 1   24   14   30 o  827.075  115.296   11.657   2.9047   8.6705   4.0482   14.827   4.1703  670.090  186.231  909.511  151.783 -239.4210 240.2505 
1 1 1   24   14   32 o  767.168  167.324   11.163   3.9062   0.4019   9.3781   13.422   4.2967  515.094  239.676  842.096  168.829 -327.0016 293.1693 
1 1 1   24   14   34 o  448.795  150.882   3.7155   2.5058   2.8727   3.5649   4.5386   3.5228  430.623  172.993  487.791  177.739 -57.16791 248.0275 
1 1 1   24   14   36 o  463.967  157.899   4.2206   2.7446   1.3182   3.8924   7.0906   3.8706  386.446  169.084  570.023  187.400 -183.5768 252.4048 
1 1 1   24   15    1 o  930.008  115.214   13.919   3.2833   15.960   5.2854   12.636   4.1898  980.369  178.762  874.977  158.772 105.3928 239.0907 
1 1 1   24   15    3 o  894.342  115.287   12.890   3.1533   14.268   5.0499   12.010   4.0371  924.903  180.851  852.767  156.974 72.13611 239.4745 
1 1 1   24   15    5 o  1673.98  160.158   45.407   8.2924   0.0000   0.0000   45.407   8.2924  ?   ?   1673.98  160.158 0.000000 160.1576 
1 1 1   24   15    7 o  538.691  162.827   4.7170   2.9793   0.0000   0.0000   4.7170   2.9793  ?   ?   538.691  162.827 0.000000 162.8270 
1 1 1   24   15    9 o  564.544  172.367   5.1881   3.3264   0.0000   0.0000   5.1881   3.3264  ?   ?   564.544  172.367 0.000000 172.3671 
1 1 1   24   15   11 o  409.468  145.134   2.3549   2.3304   1.6086   3.6326   2.8769   3.0378  436.129  174.831  457.878  165.323 -21.74869 240.6194 
1 1 1   24   15   13 o  547.861  152.310   4.9741   2.7073   5.0771   4.0391   4.8901   3.6481  570.977  191.564  556.110  181.893 14.86755 264.1622 
1 1 1   24   15   15 o  558.848  130.133   5.1911   2.2347   5.5075   3.0073   4.8009   3.3394  574.983  160.768  546.088  173.625 28.89502 236.6269 
1 1 1   24   15   17 o  1170.43   98.234   21.902   3.5669   15.698   5.0431   28.111   5.0456  967.277  172.850  1319.67  123.541 -352.3962 212.4602 
1 1 1   24   15   19 o  605.080  141.052   6.1633   2.6231   6.2595   3.6414   6.0596   3.7818  608.153  179.128  600.578  183.863 7.574707 256.6955 
1 1 1   24   15   21 o  329.261  132.728   0.8864   2.1064  -2.5106   3.0271   4.0754   2.9330  292.243  136.045  500.164  163.068 -207.9203 212.3664 
1 1 1   24   15   23 f  490.047  169.396   3.8322   3.1622   6.2115   3.4311  -9.5879   8.1488  596.516  173.360  427.043  205.660 169.4729 268.9787 
1 1 1   24   15   25 o  1298.26  120.295   27.914   4.8346   32.136   5.4402   12.053   10.544  1389.80  126.391  779.297  302.275 610.5017 327.6354 
1 1 1   24   15   27 o  286.964  131.727  -1.5391   2.6957  -1.1907   2.8373  -4.7725   8.6433  303.565  137.732  475.924  224.206 -172.3589 263.1315 
1 1 1   24   15   29 o  418.546  142.911   2.9038   2.2483   1.3635   3.3111   4.2217   3.0627  392.866  163.266  491.571  166.802 -98.70483 233.4068 
1 1 1   24   15   31 o  488.547  153.180   4.3177   2.6072  -0.2346   3.6376   9.1269   3.7389  360.079  160.237  693.800  172.763 -333.7214 235.6328 
1 1 1   24   15   33 o  869.816  127.100   13.333   3.3595   9.3597   4.3903   18.947   5.2186  674.230  196.145  995.255  173.778 -321.0248 262.0526 
1 1 1   24   15   35 o  224.125  107.741  -2.6850   2.2113  -9.1455   3.0674   4.3053   3.1907  200.701  101.385  473.997  169.630 -273.2958 197.6190 
1 1 1   24   16    0 o  919.822  117.672   13.624   3.3115   14.913   5.2820   12.789   4.2505  946.196  184.909  880.760  160.017 65.43665 244.5342 
1 1 1   24   16    2 o  577.327  165.535   5.4815   3.1474   3.8702   4.2858   7.3676   4.6369  536.191  195.943  669.835  203.286 -133.6437 282.3452 
1 1 1   24   16    4 o  608.276  148.150   6.1437   2.7956   4.2020   4.4072   7.4509   3.6162  550.751  199.086  668.101  171.874 -117.3495 263.0134 
1 1 1   24   16    6 o  874.734  109.706   12.301   2.9387   10.464   4.0587   14.327   4.2607  792.460  168.739  935.405  150.577 -142.9450 226.1555 
1 1 1   24   16    8 o  757.861  162.385   9.5602   3.7375   15.496   6.5314   6.6702   4.5574  953.817  222.725  641.872  202.703 311.9457 301.1562 
1 1 1   24   16   10 o  344.774  151.828  -0.7909   3.1835  -0.0000   6.0326  -1.0962   3.7479  498.066  214.239  369.508  163.624 128.5578 269.5757 
1 1 1   24   16   12 o  921.345  134.201   13.819   3.7579   14.747   6.7926   13.409   4.5112  925.628  234.180  898.684  166.442 26.94452 287.3033 
1 1 1   24   16   14 o  865.517  122.734   12.167   3.2331   11.286   4.8085   12.895   4.3678  815.492  191.566  880.059  164.551 -64.56769 252.5356 
1 1 1   24   16   16 o  414.122  149.454   2.3594   2.4822   5.9179   3.4199  -1.6022   3.6084  595.346  173.092  348.599  157.003 246.7473 233.6896 
1 1 1   24   16   18 o  797.375  119.893   10.413   2.9008   4.6499   4.0032   16.784   4.2093  548.657  190.542  1010.81  136.480 -462.1527 234.3786 
1 1 1   24   16   20 o  678.669  133.598   7.7244   2.7380   6.5689   3.7303   9.0739   4.0314  618.414  181.058  723.024  179.017 -104.6110 254.6152 
1 1 1   24   16   22 o  876.110  120.142   12.679   3.2091   12.711   4.5011   12.646   4.5765  854.556  174.122  850.747  177.536 3.809204 248.6719 
1 1 1   24   16   24 o  517.197  179.005   4.3856   3.5316   4.3856   3.5316   0.0000   0.0000  517.197  179.005  ?   ?  0.000000 179.0047 
1 1 1   24   16   26 o  989.173  154.140   16.960   4.6187   16.960   4.6187   0.0000   0.0000  989.173  154.140  ?   ?  0.000000 154.1404 
1 1 1   24   16   28 o  853.892  167.951   13.133   4.3306   13.133   4.3306   0.0000   0.0000  853.892  167.951  ?   ?  0.000000 167.9510 
1 1 1   24   16   30 o  470.550  177.983   3.5134   3.5939   3.5134   3.5939   0.0000   0.0000  470.550  177.983  ?   ?  0.000000 177.9827 
1 1 1   24   16   32 o  347.136  140.157   1.3243   2.3528   0.7945   3.1611   1.9824   3.5231  364.477  155.881  412.450  169.625 -47.97348 230.3729 
1 1 1   24   16   34 o  440.872  150.244   3.5060   2.4850   0.6090   3.3273   7.1598   3.7368  360.687  157.110  595.303  182.850 -234.6165 241.0759 
1 1 1   24   17    1 o  573.485  163.768   5.3980   3.0866   8.8225   3.4754  -7.3910   6.7163  729.708  156.777  414.076  195.847 315.6321 250.8689 
1 1 1   24   17    3 o  754.370  149.009   9.3817   3.3949   8.3056   3.8377   13.255   7.2807  705.547  174.645  883.839  251.218 -178.2923 305.9594 
1 1 1   24   17    5 o  521.771  166.773   4.2883   3.0778   5.3779   3.3870  -0.8768   7.3742  575.549  173.531  534.674  233.365 40.87506 290.8131 
1 1 1   24   17    7 o  204.320  100.375  -4.5396   2.2231  -6.1485   2.7915  -1.7502   3.6757  223.093  110.147  351.608  158.401 -128.5153 192.9331 
1 1 1   24   17    9 o  329.772  145.083  -0.7199   2.9008   1.0261   4.0898  -2.4876   4.1151  440.698  182.158  360.876  164.557 79.82230 245.4799 
1 1 1   24   17   11 o  701.372  175.227   8.2500   3.8372   4.8535   7.3224   9.5358   4.5054  646.721  251.605  752.093  190.963 -105.3726 315.8671 
1 1 1   24   17   13 o  810.082  165.422   10.960   4.0541  -2.7325   8.0829   15.563   4.6862  525.976  236.102  970.971  159.688 -444.9951 285.0334 
1 1 1   24   17   15 o  768.952  188.932   10.084   4.5164   0.0000   0.0000   10.084   4.5164  ?   ?   768.952  188.932 0.000000 188.9324 
1 1 1   24   17   17 o  568.175  163.338   5.4179   3.0608   5.9319   3.9774   4.6715   4.7930  598.360  189.406  567.791  207.254 30.56909 280.7648 
1 1 1   24   17   19 o  1004.58  120.703   16.485   3.7208   18.237   4.7828   13.799   5.9218  1046.00  150.349  881.136  216.245 164.8603 263.3761 
1 1 1   24   17   21 o  839.924  138.507   11.825   3.5157   5.0635   4.6253   21.078   5.4105  568.142  204.139  1116.85  159.220 -548.7039 258.8894 
1 1 1   24   17   23 o  491.333  160.786   3.9933   2.8504   0.8431   3.6031   9.2629   4.6601  401.174  168.767  716.393  200.064 -315.2189 261.7405 
1 1 1   24   17   25 o  641.847  151.829   7.1976   3.0037   2.0768   4.1208   13.003   4.3874  453.105  184.559  859.234  169.095 -406.1291 250.3094 
1 1 1   24   17   27 o  1118.61  180.934   22.445   6.1211   22.445   6.1211   0.0000   0.0000  1118.61  180.934  ?   ?  0.000000 180.9336 
1 1 1   24   17   29 o  295.340  133.669  -1.0249   2.6529  -1.1681   2.7556   0.7904   9.8096  298.030  135.418  561.067  255.155 -263.0370 288.8630 
1 1 1   24   17   31 o  735.706  174.979   10.172   3.9722   8.9124   4.2880   17.788   10.545  676.499  192.970  827.881  306.545 -151.3821 362.2253 
1 1 1   24   17   33 o  323.287  139.822   0.3154   2.5980  -2.2078   3.5103   3.3718   3.8634  311.573  145.530  461.767  181.847 -150.1940 232.9105 
1 1 1   24   18    0 o  535.643  173.773   4.4689   3.3323   6.4880   3.6903  -4.4477   7.7551  627.994  178.975  495.244  225.856 132.7503 288.1714 
1 1 1   24   18    2 o  1094.21  123.667   19.201   4.1628   22.354   4.6903   7.4995   9.0344  1180.55  128.980  753.192  282.777 427.3594 310.8038 
1 1 1   24   18    4 o  383.626  160.771   0.4454   3.2496   0.4454   3.2496   0.0000   0.0000  383.626  160.771  ?   ?  0.000000 160.7711 
1 1 1   24   18    6 o  671.299  171.139   7.5024   3.6082   8.4940   3.9466   2.4526   8.9061  713.418  177.414  644.892  267.866 68.52612 321.2909 
1 1 1   24   18    8 f  417.177  175.757   0.4458   3.9170   2.4926   4.3965  -7.4312   8.6250  496.009  194.409  488.578  228.177 7.430481 299.7655 
1 1 1   24   18   10 o  504.357  196.099   2.7390   4.4459   2.7390   4.4459   0.0000   0.0000  504.357  196.099  ?   ?  0.000000 196.0990 
1 1 1   24   18   12 o  1377.33  148.165   30.784   6.2895   30.784   6.2895   0.0000   0.0000  1377.33  148.165  ?   ?  0.000000 148.1655 
1 1 1   24   18   14 o  957.994  288.059   16.409   9.3422   16.409   9.3422   0.0000   0.0000  957.994  288.059  ?   ?  0.000000 288.0585 
1 1 1   24   18   18 o  647.731  274.650   3.0235   9.6643   3.0235   9.6643   0.0000   0.0000  647.731  274.650  ?   ?  0.000000 274.6503 
1 1 1   24   18   20 o  358.645  154.958  -0.0649   3.1845  -0.3097   3.3905   1.7675   9.2757  363.130  158.372  610.466  264.112 -247.3360 307.9559 
1 1 1   24   18   22 o  975.541  163.583   16.285   4.8200   16.285   4.8200   0.0000   0.0000  975.541  163.583  ?   ?  0.000000 163.5835 
1 1 1   24   18   24 o  534.098  178.271   4.7907   3.4978   4.4595   3.7090   7.4521   10.515  524.154  183.330  708.158  292.345 -184.0035 345.0729 
1 1 1   24   18   26 o  589.018  192.770   6.1404   4.0972   5.7282   4.4711   8.3003   10.235  576.843  201.311  705.958  289.584 -129.1145 352.6824 
1 1 1   24   18   28 o  376.229  160.309   0.6278   3.3207   1.7061   3.4821 -10.2053   11.037  414.637  169.358  489.009  236.445 -74.37152 290.8408 
1 1 1   24   18   30 o  201.683  100.664  -6.4491   2.5915  -5.2574   2.6641 -27.4239   11.177  220.162  108.493  386.875  195.201 -166.7138 223.3248 
1 1 1   24   19    1 o  672.144  192.714   7.4446   4.2658   7.4446   4.2658   0.0000   0.0000  672.144  192.714  ?   ?  0.000000 192.7137 
1 1 1   24   19    3 o  628.251  187.422   6.4358   3.9664   6.4358   3.9664   0.0000   0.0000  628.251  187.422  ?   ?  0.000000 187.4220 
1 1 1   24   19    5 o  504.998  183.502   3.4258   3.7513   3.4258   3.7513   0.0000   0.0000  504.998  183.502  ?   ?  0.000000 183.5022 
1 1 1   24   19    7 o  901.487  158.041   13.364   4.2985   13.364   4.2985   0.0000   0.0000  901.487  158.041  ?   ?  0.000000 158.0414 
1 1 1   24   19    9 o  732.734  166.114   8.9692   3.7234   8.9692   3.7234   0.0000   0.0000  732.734  166.114  ?   ?  0.000000 166.1138 
1 1 1   24   19   11 o  915.092  182.631   14.060   5.0497   14.060   5.0497   0.0000   0.0000  915.092  182.631  ?   ?  0.000000 182.6314 
1 1 1   24   19   13 o  491.119  189.569   2.7806   4.1315   6.6050   4.6175 -12.5711   9.2513  635.448  204.393  453.900  218.725 181.5487 299.3611 
1 1 1   24   19   15 o  612.857  205.644   6.0437   4.6547   5.6372   5.3077   7.3974   9.6866  610.991  218.768  738.908  288.856 -127.9172 362.3499 
1 1 1   24   19   17 o  466.108  222.002  -9.4254   8.9291   0.0000   0.0000  -9.4254   8.9291  ?   ?   466.108  222.002 0.000000 222.0021 
1 1 1   24   19   19 o  640.713  244.858   5.8988   6.8466  -1.1967   9.5791   13.309   9.7894  578.338  258.496  853.702  297.880 -275.3641 394.4015 
1 1 1   24   19   21 o  451.716  209.407  -4.3001   7.0567   2.2524   10.361  -9.9695   9.6376  640.167  278.047  476.604  228.002 163.5623 359.5765 
1 1 1   24   19   23 o  333.150  149.732  -1.1742   3.2619  -1.1742   3.2619   0.0000   0.0000  333.150  149.732  ?   ?  0.000000 149.7321 
1 1 1   24   19   25 o  496.229  183.802   3.6760   3.7917   5.1236   4.0674  -5.9296   10.477  554.060  192.083  527.527  248.001 26.53314 313.6882 
1 1 1   24   19   27 o  371.827  156.475   0.7556   3.0991  -0.2403   3.2437   11.179   10.494  351.319  154.017  757.691  299.283 -406.3723 336.5884 
1 1 1   24   19   29 o  292.323  136.263  -2.3001   3.0529  -3.0208   3.1692   6.9813   11.373  285.813  134.984  675.092  292.258 -389.2785 321.9248 
1 1 1   24   20    0 o  590.193  195.801   5.3626   4.2218   5.3626   4.2218   0.0000   0.0000  590.193  195.801  ?   ?  0.000000 195.8005 
1 1 1   24   20    2 o  584.911  197.912   5.1823   4.3116   5.1823   4.3116   0.0000   0.0000  584.911  197.912  ?   ?  0.000000 197.9116 
1 1 1   24   20    4 o  685.327  196.179   7.7840   4.4238   7.7840   4.4238   0.0000   0.0000  685.327  196.179  ?   ?  0.000000 196.1792 
1 1 1   24   20    6 o  667.209  174.411   7.4282   3.6846   5.5367   3.9508   20.062   10.211  589.907  188.991  1071.06  295.042 -481.1577 350.3822 
1 1 1   24   20    8 o  588.722  180.605   5.6416   3.6468   5.6416   3.6468   0.0000   0.0000  588.722  180.605  ?   ?  0.000000 180.6046 
1 1 1   24   20   10 o  714.247  170.575   8.5782   3.7624   9.5992   4.0609   2.3894   9.9980  755.069  175.150  665.259  280.564 89.81036 330.7472 
1 1 1   24   20   12 o  270.115  125.673  -2.2576   2.5773  -3.7345   2.6958   13.442   8.7894  250.281  119.956  879.374  281.906 -629.0934 306.3669 
1 1 1   24   20   14 o  687.594  173.753   8.0312   3.7425   8.6781   4.0286   3.9555   10.112  713.595  180.242  685.380  285.117 28.21466 337.3110 
1 1 1   24   20   16 o  740.371  205.837   9.4974   4.9445   7.3324   5.7960   15.285   9.4762  670.467  229.453  916.418  292.600 -245.9514 371.8382 
1 1 1   24   20   18 o  489.716  195.785   2.4212   4.5421   1.3322   5.0807   6.7563   10.137  480.931  201.252  724.229  291.441 -243.2982 354.1756 
1 1 1   24   20   20 o  550.711  238.108   0.9017   7.5294  -5.0566   11.098   5.9834   10.249  571.009  263.967  704.620  289.494 -133.6110 391.7719 
1 1 1   24   20   22 o  898.747  318.089   15.825   11.190   0.0000   0.0000   15.825   11.190  ?   ?   898.747  318.089 0.000000 318.0893 
1 1 1   24   20   24 o  407.902  205.215 -30.7084   11.868 -30.7084   11.868   0.0000   0.0000  407.902  205.215  ?   ?  0.000000 205.2153 
1 1 1   24   20   26 o  371.677  159.374   0.3159   3.3198  -0.7609   3.4914   10.470   10.721  353.065  157.056  759.027  301.651 -405.9614 340.0885 
1 1 1   24   20   28 o  617.013  189.577   6.9126   4.0164   3.0118   4.3097   32.684   11.077  483.130  191.489  1247.40  289.232 -764.2653 346.8760 
1 1 1   24   21    1 o  1166.59  139.556   21.942   4.9966   25.139   5.5702   8.7751   11.306  1248.34  145.215  822.176  314.542 426.1599 346.4451 
1 1 1   24   21    3 o  707.763  188.365   8.3733   4.2480   10.212   4.6078  -2.0428   10.967  780.122  190.321  633.860  280.325 146.2628 338.8277 
1 1 1   24   21    5 o  945.812  160.077   14.717   4.5717   14.717   4.5717   0.0000   0.0000  945.812  160.077  ?   ?  0.000000 160.0771 
1 1 1   24   21    7 o  777.804  166.443   10.098   3.9312   12.022   4.2834  -0.1746   9.8999  850.116  166.871  624.881  271.599 225.2346 318.7661 
1 1 1   24   21    9 o  1011.13  156.909   16.819   4.8069   16.819   4.8069   0.0000   0.0000  1011.13  156.909  ?   ?  0.000000 156.9087 
1 1 1   24   21   11 o  649.335  184.417   7.0817   3.9251   8.6537   4.2172  -3.1051   10.735  714.443  186.508  603.242  271.330 111.2015 329.2496 
1 1 1   24   21   13 o  613.089  177.909   6.2952   3.6160   9.0030   3.8867 -11.1384   9.8619  729.054  172.879  486.575  232.180 242.4783 289.4732 
1 1 1   24   21   15 o  353.577  149.457   0.2993   2.8476  -0.1388   2.9617   5.6585   10.358  347.090  149.703  718.816  292.674 -371.7258 328.7385 
1 1 1   24   21   17 o  936.985  147.814   14.577   4.1930   16.281   4.5129   3.8258   11.339  990.400  150.237  702.875  297.735 287.5250 333.4923 
1 1 1   24   21   19 o  315.002  151.542  -6.0891   4.3955  -5.7921   4.8477  -7.4622   10.422  341.598  162.941  531.013  248.905 -189.4155 297.4955 
1 1 1   24   21   21 o  656.462  226.673   7.1976   5.6614   5.2068   6.5612   13.000   11.201  615.672  238.545  849.766  315.680 -234.0938 395.6738 
1 1 1   24   21   23 o  422.313  209.410 -20.8264   10.493   0.0000   0.0000 -20.8264   10.493  ?   ?   422.313  209.410 0.000000 209.4097 
1 1 1   24   22    0 o  425.817  176.851   0.8156   3.8816   2.9916   4.1958 -12.1014   10.223  504.649  191.964  498.009  237.291 6.640137 305.2171 
1 1 1   24   22    2 o  697.127  207.965   8.0363   4.8836   8.6109   5.5335   6.0123   10.386  723.108  222.577  747.113  296.902 -24.00525 371.0677 
1 1 1   24   22    4 o  1534.76  123.747   37.661   5.8964   39.606   6.7189   31.144   12.299  1570.23  138.055  1329.43  302.285 240.7994 332.3179 
1 1 1   24   22    6 o  413.929  169.795   1.0416   3.5189   1.0416   3.5189   0.0000   0.0000  413.929  169.795  ?   ?  0.000000 169.7954 
1 1 1   24   22    8 o  652.735  179.658   7.1327   3.7878   9.1706   4.0156  -9.3194   11.410  738.340  176.150  557.952  261.179 180.3875 315.0292 
1 1 1   24   22   10 f  682.091  177.807   7.8403   3.8364   6.0421   4.0718   22.058   11.450  608.820  191.515  1103.48  315.516 -494.6584 369.0915 
1 1 1   24   22   12 o  722.813  185.030   8.8686   4.2056   10.348   4.5101  -0.9901   11.643  780.223  187.038  654.526  289.182 125.6977 344.3971 
1 1 1   24   22   14 o  1037.80  156.002   17.801   4.9126   21.068   5.3591   0.6121   12.293  1130.87  155.455  687.938  300.755 442.9293 338.5558 
1 1 1   24   22   16 o  416.747  163.525   1.7962   3.1135   1.6842   3.2401   3.1470   11.248  418.433  165.976  695.458  295.652 -277.0251 339.0546 
1 1 1   24   22   18 o  509.447  174.689   4.0132   3.3596   2.5598   3.5193   18.952   11.283  458.845  175.505  1001.68  319.216 -542.8314 364.2811 
1 1 1   24   22   20 o  442.124  170.923   2.2880   3.3628   0.8831   3.5194   17.025   11.399  403.782  168.107  947.170  321.793 -543.3884 363.0573 
1 1 1   24   22   22 o  501.398  207.337   1.9876   5.3018   6.1518   5.9954 -12.9527   11.356  629.454  231.487  504.329  242.856 125.1251 335.5079 
1 1 1   24   23    1 o  1088.91  179.726   19.569   5.9142   19.569   5.9142   0.0000   0.0000  1088.91  179.726  ?   ?  0.000000 179.7257 
1 1 1   24   23    3 o  950.170  171.828   14.943   4.9241   14.943   4.9241   0.0000   0.0000  950.170  171.828  ?   ?  0.000000 171.8276 
1 1 1   24   23    5 o  608.662  200.391   5.8358   4.4252   7.8984   4.8097  -5.5397   11.295  690.236  206.493  597.293  272.465 92.94263 341.8718 
1 1 1   24   23    7 o  649.543  184.810   7.0289   3.9382   7.2641   4.1965   5.2930   11.402  660.644  191.644  751.427  306.638 -90.78308 361.5995 
1 1 1   24   23    9 o  687.675  186.732   7.9549   4.1245   10.953   4.4162 -12.5173   11.540  806.883  179.434  532.164  253.161 274.7190 310.3017 
1 1 1   24   23   11 o  1191.04  151.866   23.172   5.5348   25.892   6.0547   9.3424   13.653  1258.21  157.105  854.220  340.112 403.9932 374.6445 
1 1 1   24   23   13 o  748.282  175.758   9.4698   4.0480   9.8629   4.2831   6.1800   12.390  762.580  181.916  776.332  318.547 -13.75140 366.8324 
1 1 1   24   23   15 o  278.713  133.145  -4.2430   3.2622  -6.5237   3.4018   21.841   11.504  255.853  125.381  1086.14  317.955 -830.2867 341.7837 
1 1 1   24   23   17 o  518.555  182.363   4.0196   3.6724   4.4988   3.8644  -0.4476   11.798  541.422  187.255  657.914  290.870 -116.4913 345.9333 
1 1 1   24   23   19 o  590.242  190.709   5.7353   4.0165   7.4856   4.2682  -7.8049   11.871  661.685  193.658  572.291  267.414 89.39417 330.1726 
1 1 1   24   23   21 o  521.590  181.150   4.2156   3.6183   5.5858   3.7985  -9.2079   11.889  579.441  185.277  554.874  261.869 24.56616 320.7849 
1 1 1   24   24    0 o  834.664  215.437   11.772   5.6688   11.772   5.6688   0.0000   0.0000  834.664  215.437  ?   ?  0.000000 215.4371 
1 1 1   24   24    2 o  733.314  193.941   9.0172   4.5216   8.2998   4.7791   15.140   13.962  706.383  204.402  978.720  354.267 -272.3365 409.0051 
1 1 1   24   24    4 o  484.934  190.736   2.3271   4.2455   2.3271   4.2455   0.0000   0.0000  484.934  190.736  ?   ?  0.000000 190.7365 
1 1 1   24   24    6 o  819.535  191.949   11.314   4.8392   14.181   5.1468 -10.5428   14.211  921.022  184.890  629.502  293.622 291.5200 346.9840 
1 1 1   24   24    8 o  368.590  162.459  -0.9045   3.6529  -1.7971   3.7919   10.604   13.616  356.415  160.695  883.722  343.296 -527.3065 379.0447 
1 1 1   24   24   10 o  778.416  199.999   10.279   4.9009   11.727   5.2564   0.6519   13.555  830.465  203.688  729.409  317.422 101.0556 377.1549 
1 1 1   24   24   12 o  390.994  164.405   0.4684   3.4165  -0.4167   3.5428   12.227   12.913  373.764  162.464  895.505  337.694 -521.7406 374.7419 
1 1 1   24   24   14 o  675.098  196.282   7.6731   4.3976   7.6731   4.3976   0.0000   0.0000  675.098  196.282  ?   ?  0.000000 196.2824 
1 1 1   24   24   16 f  273.686  130.887  -4.1987   3.1705  -5.0787   3.2881   7.4482   11.962  267.841  129.394  785.287  316.389 -517.4454 341.8259 
1 1 1   24   24   18 o  523.147  180.681   4.1840   3.5972   3.2937   3.7631   13.618   12.250  494.239  183.099  896.364  330.699 -402.1245 378.0041 
1 1 1   24   25    1 o  518.852  196.658   3.2185   4.3934   3.2185   4.3934   0.0000   0.0000  518.852  196.658  ?   ?  0.000000 196.6576 
1 1 1   24   25    3 o  420.600  174.842   0.7743   3.7988  -0.4020   3.9159   19.558   15.648  395.627  171.384  1078.46  376.593 -682.8373 413.7567 
1 1 1   24   25    5 o  486.427  191.900   2.2858   4.3095   4.0018   4.4895 -17.8402   15.375  546.649  200.425  603.869  288.635 -57.22021 351.3977 
1 1 1   24   25    7 o  1015.81  191.276   17.220   5.8608   19.047   6.3481   6.6726   15.253  1067.83  197.117  853.837  352.257 213.9957 403.6583 
1 1 1   24   25    9 o  280.298  136.030  -6.2292   3.7372  -5.9840   3.8830  -9.3116   13.767  291.842  140.894  627.972  291.598 -336.1301 323.8523 
1 1 1   24   25   11 o  376.185  163.026  -0.3512   3.5461  -1.5552   3.7142   12.055   11.922  357.025  160.169  885.025  326.291 -527.9998 363.4836 
1 1 1   24   25   13 o  494.268  193.494   2.5766   4.3512   2.5766   4.3512   0.0000   0.0000  494.268  193.494  ?   ?  0.000000 193.4937 
1 1 1   24   25   15 o  208.514  104.883  -9.4022   3.0921 -11.8729   3.1977   26.159   12.132  ?   ?   1193.83  318.600 0.000000 318.6002 
1 1 1   24   26    0 o  498.404  236.833 -11.5195   10.045 -14.6499   13.537  -7.6845   14.983  580.814  275.684  683.067  312.447 -102.2528 416.6829 
1 1 1   24   26    2 o  937.989  375.684   10.085   16.758   0.0000   0.0000   10.085   16.758  ?   ?   937.989  375.684 0.000000 375.6844 
1 1 1   24   26    4 o  946.758  370.042   11.656   15.895   0.0000   0.0000   11.656   15.895  ?   ?   946.758  370.042 0.000000 370.0417 
1 1 1   24   26    6 o  369.339  167.773  -2.3731   4.2259  -1.0758   4.4065 -17.2334   14.914  405.060  178.488  596.883  285.011 -191.8232 336.2875 
1 1 1   24   26    8 o  561.242  209.148   4.0669   4.9242   8.2470   5.2310 -28.4692   14.594  707.295  216.191  515.742  254.108 191.5529 333.6305 
1 1 1   24   26   10 o  664.793  207.318   7.2193   4.7831   3.4330   5.1735   29.508   12.552  549.298  212.102  1287.05  314.202 -737.7482 379.0914 
1 1 1   24   27    1 f  491.615  200.999   1.5598   4.9109   3.7853   5.1658 -19.3346   15.828  562.248  213.210  609.648  291.793 -47.39911 361.3884 
1 1 1   24   27    3 o  497.098  236.519 -11.8075   10.081  -4.0245   13.927 -20.3737   14.611  694.491  310.957  568.776  274.275 125.7153 414.6332 
1 1 1   24   27    5 f  671.866  285.008   1.5042   10.414   20.841   14.516 -19.0057   14.950  1101.60  362.951  586.789  281.569 514.8090 459.3631 
1 1 1   25    0    1 o  1545.86  109.174   38.431   5.2240   38.431   5.2240   38.431   5.2240  1545.86  109.174  1545.86  109.174 -0.000000 0.000000 
1 1 1   25    0    3 o  1100.70  115.559   19.851   3.8824   19.851   3.8824   19.851   3.8824  1100.70  115.559  1100.70  115.559 -0.000000 0.000000 
1 1 1   25    0    5 o  3820.31  147.036  234.957   17.530  234.957   17.530  234.957   17.530  3820.31  147.036  3820.31  147.036 -0.000000 0.000000 
1 1 1   25    0    7 f  465.733  180.816   4.7536   2.5103   4.7536   2.5103   4.7536   2.5103  465.733  180.816  465.733  180.816 -0.000000 0.000000 
1 1 1   25    0    9 o  1039.07  188.499   18.997   5.5345   18.997   5.5345   18.997   5.5345  1039.07  188.499  1039.07  188.499 -0.000000 0.000000 
1 1 1   25    0   11 o  711.500  161.037   9.1931   3.1289   9.1931   3.1289   9.1931   3.1289  711.500  161.037  711.500  161.037 -0.000000 0.000000 
1 1 1   25    0   13 o  329.944  179.881   2.4853   2.6366   2.4853   2.6366   2.4853   2.6366  329.944  179.881  329.944  179.881 -0.000000 0.000000 
1 1 1   25    0   15 o  862.973  136.134   12.658   3.4048   12.658   3.4048   12.658   3.4048  862.973  136.134  862.973  136.134 -0.000000 0.000000 
1 1 1   25    0   17 o  2598.64  126.287  107.919   10.221  107.919   10.221  107.919   10.221  2598.64  126.287  2598.64  126.287 -0.000000 0.000000 
1 1 1   25    0   19 o  377.650  214.156   3.1202   3.9172   3.1202   3.9172   3.1202   3.9172  377.650  214.156  377.650  214.156 -0.000000 0.000000 
1 1 1   25    0   21 o  178.919  122.263  -1.3034   2.1488  -1.3034   2.1488  -1.3034   2.1488  178.919  122.263  178.919  122.263 -0.000000 0.000000 
1 1 1   25    0   23 o  466.969  191.772   4.8889   2.7709   4.8889   2.7709   4.8889   2.7709  466.969  191.772  466.969  191.772 -0.000000 0.000000 
1 1 1   25    0   25 o  233.592  149.461   0.1981   2.4540   0.1981   2.4540   0.1981   2.4540  233.592  149.461  233.592  149.461 -0.000000 0.000000 
1 1 1   25    0   27 o  348.626  186.902   2.8321   2.8023   2.8321   2.8023   2.8321   2.8023  348.626  186.902  348.626  186.902 -0.000000 0.000000 
1 1 1   25    0   29 o  1811.36  119.137   52.861   6.6902   52.861   6.6902   52.861   6.6902  1811.36  119.137  1811.36  119.137 -0.000000 0.000000 
1 1 1   25    0   31 o  332.187  206.420   1.5277   4.3155   1.5277   4.3155   1.5277   4.3155  332.187  206.420  332.187  206.420 -0.000000 0.000000 
1 1 1   25    0   33 o  1469.09  125.110   35.405   5.6592   35.405   5.6592   35.405   5.6592  1469.09  125.110  1469.09  125.110 -0.000000 0.000000 
1 1 1   25    0   35 o  325.180  195.265   2.0472   3.5782   2.0472   3.5782   2.0472   3.5782  325.180  195.265  325.180  195.265 -0.000000 0.000000 
1 1 1   25    0   37 o  1056.42  157.139   19.412   4.8595   19.412   4.8595   19.412   4.8595  1056.42  157.139  1056.42  157.139 -0.000000 0.000000 
1 1 1   25    0   39 o  554.243  269.923   8.2108   5.5098   8.2108   5.5098   8.2108   5.5098  554.243  269.923  554.243  269.923 -0.000000 0.000000 
1 1 1   25    0   41 o  386.112  248.514   1.9447   6.9075   1.9447   6.9075   1.9447   6.9075  386.112  248.514  386.112  248.514 -0.000000 0.000000 
1 1 1   25    1    0 o  615.802  105.059   6.2302   1.9531   8.9803   2.6774   3.1025   2.8554  737.810  120.017  456.182  160.764 281.6280 200.6219 
1 1 1   25    1    2 o  1013.86   90.276   16.499   2.8359   13.248   4.4876   18.661   3.6592  880.600  168.894  1072.41  110.556 -191.8088 201.8611 
1 1 1   25    1    4 o  1116.38   77.329   19.866   2.6865   19.643   3.7670   20.098   3.8324  1099.83  110.898  1112.40  111.528 -12.56433 157.2794 
1 1 1   25    1    6 o  672.669   95.556   7.3679   1.9561   5.0401   2.7053   9.9183   2.8317  544.546  152.560  774.749  120.656 -230.2031 194.5059 
1 1 1   25    1    8 o  484.043  137.741   3.9332   2.1875   5.9083   4.2737   3.2320   2.5463  594.432  196.990  452.752  152.098 141.6798 248.8748 
1 1 1   25    1   10 o  526.937  135.166   4.6936   2.2410   3.9559   2.5616   7.0998   4.6265  489.049  151.589  642.746  204.366 -153.6966 254.4499 
1 1 1   25    1   12 o  395.683  124.048   2.5208   1.7099   1.3945   2.4898   3.5263   2.3524  370.460  145.954  464.437  145.483 -93.97684 206.0768 
1 1 1   25    1   14 o  1042.23   78.639   17.325   2.5475   13.461   3.6138   21.142   3.5917  902.238  131.803  1145.41  101.183 -243.1672 166.1628 
1 1 1   25    1   16 o  449.870  127.874   3.3711   1.8864   4.1843   2.5158   2.3268   2.8510  500.427  149.261  422.865  158.835 77.56161 217.9614 
1 1 1   25    1   18 o  298.044  119.816   0.7272   1.7114   0.1822   2.2826   1.4271   2.5864  313.432  133.215  375.540  148.502 -62.10730 199.4972 
1 1 1   25    1   20 o  356.895  129.682   1.7639   1.8735   2.4312   2.4674   0.8553   2.8791  411.715  148.943  368.794  152.669 42.92065 213.2876 
1 1 1   25    1   22 o  209.698   98.195  -1.5439   1.6152  -2.9542   2.1589   0.2493   2.4344  223.103  107.041  323.705  137.576 -100.6021 174.3129 
1 1 1   25    1   24 o  630.393  115.256   6.6485   2.1912   5.9551   2.9124   7.5531   3.3265  585.192  156.071  656.778  162.613 -71.58612 225.3911 
1 1 1   25    1   26 o  455.836  148.194   3.4486   2.4229   4.4057   4.0118   2.8990   3.0400  524.769  189.908  445.506  164.665 79.26331 251.3555 
1 1 1   25    1   28 o  324.033  128.648   1.0927   1.9483  -0.1762   2.7833   2.3117   2.7280  326.469  142.907  408.228  154.907 -81.75974 210.7572 
1 1 1   25    1   30 o  309.335  128.251   0.7154   2.0362  -0.5879   2.9430   1.9123   2.8203  319.200  142.931  389.059  154.685 -69.85925 210.6101 
1 1 1   25    1   32 o  364.309  143.874   1.8350   2.4248   3.5923   3.0389  -1.2443   4.0227  448.056  164.802  346.771  159.820 101.2857 229.5696 
1 1 1   25    1   34 o  675.140  132.535   8.5340   2.7018   6.3905   3.8563   10.601   3.7865  538.666  187.017  715.792  171.239 -177.1256 253.5708 
1 1 1   25    1   36 o  283.775  131.502  -0.9183   2.7789   4.5071   4.7313  -3.7756   3.4335  454.963  192.500  266.687  129.645 188.2757 232.0863 
1 1 1   25    1   38 o  479.890  170.005   5.5620   3.1971   3.6330   4.1487   8.3826   5.0166  410.732  177.167  524.414  206.995 -113.6826 272.4609 
1 1 1   25    1   40 o  ?   ?  -10.6115   3.5247 -10.6115   3.5247   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   25    1   42 o  403.188  165.007   4.8595   3.3136   2.3281   4.8957   6.9997   4.5015  345.059  164.358  430.640  185.146 -85.58063 247.5732 
1 1 1   25    2    1 o  1093.20   87.761   19.132   2.9788   15.065   3.6489   27.255   5.1575  958.114  124.575  1290.98  129.326 -332.8655 179.5665 
1 1 1   25    2    3 o  1876.17   88.500   56.064   5.1992   49.752   8.7805   59.471   6.4518  1725.39  164.517  1921.77  107.650 -196.3802 196.6067 
1 1 1   25    2    5 o  1674.61   76.431   44.488   4.0078   47.432   5.6975   41.605   5.6386  1715.50  106.593  1603.41  113.032 112.0885 155.3656 
1 1 1   25    2    7 o  426.802  136.022   2.9403   2.0486   2.8439   3.9163   2.9766   2.4037  478.210  184.572  436.932  147.771 41.27762 236.4384 
1 1 1   25    2    9 o  440.758  118.579   3.2446   1.6724   2.4676   2.3714   4.0134   2.3588  411.615  146.353  489.884  144.134 -78.26965 205.4111 
1 1 1   25    2   11 o  971.011   96.363   15.195   2.8912   13.874   3.4294   18.441   5.3756  919.451  122.140  1042.06  170.657 -122.6060 209.8619 
1 1 1   25    2   13 o  334.284  118.262   1.5902   1.5466   3.2478   2.2635   0.1386   2.1182  448.442  142.984  301.985  128.338 146.4576 192.1328 
1 1 1   25    2   15 o  1357.73   78.352   29.334   3.3169   27.716   4.6971   30.943   4.6845  1307.14  115.965  1384.40  108.945 -77.25684 159.1127 
1 1 1   25    2   17 o  733.552  110.260   8.8306   2.4543   5.8409   3.0179   14.669   4.2174  584.305  160.174  934.930  149.069 -350.6245 218.8087 
1 1 1   25    2   19 o  357.007  141.556   1.2523   2.3560   1.2523   2.3560   0.0000   0.0000  357.007  141.556  ?   ?  0.000000 141.5564 
1 1 1   25    2   21 o  446.727  136.246   3.3131   2.0791   2.7079   2.5297   4.5728   3.6498  425.958  151.189  530.677  182.071 -104.7189 236.6603 
1 1 1   25    2   23 o  512.433  139.682   4.4862   2.3027   4.5023   2.7784   4.4509   4.1150  514.796  157.594  533.005  192.420 -18.20972 248.7197 
1 1 1   25    2   25 o  532.819  164.178   4.8824   3.0098   4.8824   3.0098   0.0000   0.0000  532.819  164.178  ?   ?  0.000000 164.1783 
1 1 1   25    2   27 o  561.314  165.012   5.5736   3.0928   5.5736   3.0928   0.0000   0.0000  561.314  165.012  ?   ?  0.000000 165.0121 
1 1 1   25    2   29 o  241.984  113.383  -1.8801   2.1591   0.6073   2.5638  -7.9472   4.0041  335.980  141.905  265.120  131.086 70.85956 193.1851 
1 1 1   25    2   31 o  326.850  140.411   0.4768   2.5853  -0.5067   3.0485   2.9956   4.8787  323.087  145.015  470.289  197.036 -147.2025 244.6478 
1 1 1   25    2   33 o  747.157  146.198   10.564   3.2979   13.043   3.8754   4.0556   6.2790  822.485  156.191  492.281  215.088 330.2041 265.8164 
1 1 1   25    2   35 o  410.100  184.787   1.7371   5.0051   1.7371   5.0051   0.0000   0.0000  410.100  184.787  ?   ?  0.000000 184.7870 
1 1 1   25    2   37 o  676.254  235.450   14.463   6.1144   14.463   6.1144   0.0000   0.0000  676.254  235.450  ?   ?  0.000000 235.4498 
1 1 1   25    2   39 o  594.357  204.373   10.609   4.5999   10.609   4.5999   0.0000   0.0000  594.357  204.373  ?   ?  0.000000 204.3730 
1 1 1   25    2   41 o  582.760  212.409   12.557   5.0318   12.557   5.0318   0.0000   0.0000  582.760  212.409  ?   ?  0.000000 212.4091 
1 1 1   25    3    0 o  199.492   93.928  -1.6110   1.5131  -1.6110   1.5131   0.0000   0.0000  199.492   93.928  ?   ?  0.000000 93.92813 
1 1 1   25    3    2 o  1276.13   77.078   25.914   3.0655   28.301   4.2697   23.374   4.4040  1325.42  103.707  1198.36  118.936 127.0564 157.7999 
1 1 1   25    3    4 o  1152.61   89.912   21.293   3.2194   16.315   5.2763   24.246   4.0634  974.051  179.610  1224.65  107.040 -250.6030 209.0869 
1 1 1   25    3    6 o  884.252  105.314   12.709   2.8586   13.780   5.3786   12.287   3.3747  884.633  198.993  861.503  129.074 23.13068 237.1879 
1 1 1   25    3    8 o  356.293  123.426   1.8789   1.6792   4.4825   2.2906  -1.1458   2.4689  515.269  138.843  286.717  129.433 228.5520 189.8159 
1 1 1   25    3   10 o  810.366   89.817   10.579   2.2407   8.0117   3.0994   13.391   3.2433  687.342  148.357  904.784  117.234 -217.4421 189.0870 
1 1 1   25    3   12 o  588.481  106.886   5.7099   1.8970   3.6520   2.7691   7.5298   2.6041  478.864  158.560  671.910  128.456 -193.0457 204.0646 
1 1 1   25    3   14 o  398.251  129.124   2.5084   1.8401   0.8480   2.2210   6.1429   3.2860  334.930  135.841  599.773  168.176 -264.8435 216.1846 
1 1 1   25    3   16 o  889.170   97.862   12.776   2.6796   11.190   3.2934   15.883   4.6090  820.724  132.680  971.328  156.884 -150.6042 205.4672 
1 1 1   25    3   18 o  1174.51  115.786   22.467   4.2029   22.467   4.2029   0.0000   0.0000  1174.51  115.786  ?   ?  0.000000 115.7863 
1 1 1   25    3   20 f  615.990  148.311   6.5043   2.8264   6.5043   2.8264   0.0000   0.0000  615.990  148.311  ?   ?  0.000000 148.3114 
1 1 1   25    3   22 o  1025.44  118.038   17.287   3.7209   17.287   3.7209   0.0000   0.0000  1025.44  118.038  ?   ?  0.000000 118.0383 
1 1 1   25    3   24 o  1181.64  119.126   22.972   4.3475   22.972   4.3475   0.0000   0.0000  1181.64  119.126  ?   ?  0.000000 119.1255 
1 1 1   25    3   26 o  439.263  159.189   2.8967   2.8203   2.8967   2.8203   0.0000   0.0000  439.263  159.189  ?   ?  0.000000 159.1889 
1 1 1   25    3   28 o  682.973  162.626   8.3858   3.4279   8.3858   3.4279   0.0000   0.0000  682.973  162.626  ?   ?  0.000000 162.6261 
1 1 1   25    3   30 o  471.382  193.349   2.9924   4.5625   2.9924   4.5625   0.0000   0.0000  471.382  193.349  ?   ?  0.000000 193.3490 
1 1 1   25    3   32 o  508.546  202.410   4.8954   4.8340   4.8954   4.8340   0.0000   0.0000  508.546  202.410  ?   ?  0.000000 202.4104 
1 1 1   25    3   34 o  389.708  165.656   1.9285   3.5306   1.9285   3.5306   0.0000   0.0000  389.708  165.656  ?   ?  0.000000 165.6561 
1 1 1   25    3   36 f  713.879  184.845   11.654   4.1645   11.654   4.1645   0.0000   0.0000  713.879  184.845  ?   ?  0.000000 184.8448 
1 1 1   25    3   40 o  285.172  142.025  -5.6246   5.0423  -5.6246   5.0423   0.0000   0.0000  285.172  142.025  ?   ?  0.000000 142.0251 
1 1 1   25    3   42 o  542.435  211.286   12.481   5.1683   12.481   5.1683   0.0000   0.0000  542.435  211.286  ?   ?  0.000000 211.2856 
1 1 1   25    4    1 o  525.911  136.855   4.6653   2.2753   4.2640   2.6116   5.9297   4.6357  505.942  152.340  602.297  205.210 -96.35498 255.5750 
1 1 1   25    4    3 o  947.945  101.853   14.537   2.9758   12.718   3.5884   18.541   5.3252  875.166  135.314  1045.97  168.299 -170.8049 215.9500 
1 1 1   25    4    5 o  869.845  125.160   12.473   3.3108   11.528   4.2526   13.927   5.2754  818.954  171.339  892.376  194.304 -73.42224 259.0584 
1 1 1   25    4    7 o  347.512  130.748   1.4980   1.9334   1.9131   2.1850   0.0000   4.1504  378.746  139.679  408.763  176.758 -30.01706 225.2852 
1 1 1   25    4    9 o  972.216   99.395   15.251   2.9833   13.923   3.5213   18.628   5.6153  920.368  125.457  1044.90  178.008 -124.5298 217.7755 
1 1 1   25    4   11 o  1174.02   90.759   22.060   3.3105   17.666   3.9597   32.265   6.0339  1039.60  124.093  1402.41  139.247 -362.8101 186.5178 
1 1 1   25    4   13 o  1014.76  119.128   16.785   3.7132   16.785   3.7132   0.0000   0.0000  1014.76  119.128  ?   ?  0.000000 119.1275 
1 1 1   25    4   15 f  543.939  152.679   4.9990   2.7068   4.9990   2.7068   0.0000   0.0000  543.939  152.679  ?   ?  0.000000 152.6787 
1 1 1   25    4   17 o  371.698  142.476   1.6244   2.3224   1.6244   2.3224   0.0000   0.0000  371.698  142.476  ?   ?  0.000000 142.4763 
1 1 1   25    4   19 o  249.113  114.942  -1.5370   2.0896  -1.5370   2.0896   0.0000   0.0000  249.113  114.942  ?   ?  0.000000 114.9425 
1 1 1   25    4   21 o  394.346  148.578   2.0115   2.4984   2.0115   2.4984   0.0000   0.0000  394.346  148.578  ?   ?  0.000000 148.5781 
1 1 1   25    4   23 o  838.349  140.118   11.862   3.5484   11.862   3.5484   0.0000   0.0000  838.349  140.118  ?   ?  0.000000 140.1176 
1 1 1   25    4   25 o  301.554  133.919  -0.6493   2.5283  -0.6493   2.5283   0.0000   0.0000  301.554  133.919  ?   ?  0.000000 133.9186 
1 1 1   25    4   27 o  731.101  157.192   9.4184   3.4915   9.4184   3.4915   0.0000   0.0000  731.101  157.192  ?   ?  0.000000 157.1923 
1 1 1   25    4   29 o  522.164  169.152   4.9152   3.1583   4.9152   3.1583   0.0000   0.0000  522.164  169.152  ?   ?  0.000000 169.1522 
1 1 1   25    4   31 f  359.349  148.708   1.2977   2.7303   2.8362   3.0708  -4.5082   5.9655  424.511  163.552  375.257  179.482 49.25369 242.8237 
1 1 1   25    4   33 o  846.504  170.360   14.285   4.3592   14.285   4.3592   0.0000   0.0000  846.504  170.360  ?   ?  0.000000 170.3599 
1 1 1   25    4   35 o  356.163  157.938   0.8521   3.5040   0.8521   3.5040   0.0000   0.0000  356.163  157.938  ?   ?  0.000000 157.9377 
1 1 1   25    4   37 o  364.574  160.634   1.6350   3.5683   1.6350   3.5683   0.0000   0.0000  364.574  160.634  ?   ?  0.000000 160.6344 
1 1 1   25    4   39 o  432.752  184.067   4.9169   4.3639   4.9169   4.3639   0.0000   0.0000  432.752  184.067  ?   ?  0.000000 184.0669 
1 1 1   25    4   41 o  366.615  161.580   3.0982   3.6130   10.040   6.5957   0.1222   4.3186  462.892  210.012  321.309  153.410 141.5830 260.0757 
1 1 1   25    5    0 o  1087.37   95.986   19.000   3.2346   18.053   4.0003   20.790   5.4975  1050.74  123.972  1112.73  162.581 -61.98547 204.4547 
1 1 1   25    5    2 o  1101.25   95.015   19.481   3.2443   17.714   4.0031   22.862   5.5381  1039.94  125.469  1170.78  154.870 -130.8375 199.3168 
1 1 1   25    5    4 o  1615.07   89.655   41.652   4.5162   34.298   5.4023   58.716   8.2297  1453.81  119.739  1893.42  139.799 -439.6093 184.0681 
1 1 1   25    5    6 o  405.291  147.389   2.2782   2.4207   4.8068   2.9140  -3.3524   4.3485  535.529  160.846  351.986  163.589 183.5427 229.4191 
1 1 1   25    5    8 o  1466.59   92.180   34.380   4.2116   33.566   5.0496   36.241   7.6341  1441.77  112.749  1471.84  168.690 -30.07874 202.9005 
1 1 1   25    5   10 o  1421.23   88.201   32.218   3.9057   30.175   4.8097   36.175   6.6927  1367.01  113.388  1483.48  145.971 -116.4712 184.8363 
1 1 1   25    5   12 o  435.970  146.146   2.9518   2.3509   2.9518   2.3509   0.0000   0.0000  435.970  146.146  ?   ?  0.000000 146.1460 
1 1 1   25    5   14 o  992.540  121.829   16.088   3.7068   16.088   3.7068   0.0000   0.0000  992.540  121.829  ?   ?  0.000000 121.8286 
1 1 1   25    5   16 o  429.712  159.137   2.4883   2.8421   2.4883   2.8421   0.0000   0.0000  429.712  159.137  ?   ?  0.000000 159.1369 
1 1 1   25    5   18 o  1123.80  117.797   20.593   4.0835   20.593   4.0835   0.0000   0.0000  1123.80  117.797  ?   ?  0.000000 117.7971 
1 1 1   25    5   20 o  1063.58  130.879   18.689   4.2667   21.881   5.9645   15.344   6.1062  1130.92  174.009  923.355  215.179 207.5635 276.7334 
1 1 1   25    5   22 o  778.461  117.911   10.028   2.7841   8.4151   3.2506   14.468   5.3943  700.028  152.601  902.459  196.466 -202.4310 248.7691 
1 1 1   25    5   24 o  1080.07  102.329   18.961   3.4195   20.013   4.0734   16.452   6.2924  1102.51  119.928  948.325  216.649 154.1847 247.6280 
1 1 1   25    5   26 o  402.768  147.779   2.3270   2.4414   4.1784   2.8320  -3.0302   4.8174  496.893  160.094  372.613  172.836 124.2798 235.5898 
1 1 1   25    5   28 o  775.940  122.656   10.236   2.8811   12.989   3.5532   4.9513   4.9227  869.240  134.918  547.864  208.043 321.3767 247.9613 
1 1 1   25    5   30 o  369.990  138.404   2.0278   2.1604  -0.0119   2.9977   4.2321   3.1164  335.627  147.577  485.907  168.152 -150.2799 223.7276 
1 1 1   25    5   32 o  471.261  151.185   4.1763   2.5276   6.8577   3.2811   0.2622   3.9642  587.520  169.177  373.679  166.708 213.8410 237.5126 
1 1 1   25    5   34 o  945.029  120.269   16.094   3.4783   18.256   4.4459   12.683   5.5846  973.072  150.792  712.295  224.323 260.7766 270.2943 
1 1 1   25    5   36 o  686.448  150.912   9.5795   3.1554   6.9506   4.0870   13.459   4.9648  534.593  191.911  736.718  206.772 -202.1248 282.1073 
1 1 1   25    5   38 o  2373.96   98.406  100.735   7.3149  227.463   11.063   2.2867   9.7507  3564.02   99.131  429.967  211.022 3134.050 233.1466 
1 1 1   25    5   40 o  411.431  155.735   4.0427   2.7529   13.163   4.2590  -2.5021   3.6079  701.442  189.451  275.393  133.651 426.0496 231.8493 
1 1 1   25    6    1 o  646.774  103.643   6.8470   2.0281   7.0458   2.8940   6.6552   2.8430  645.019  146.613  626.513  147.385 18.50555 207.8891 
1 1 1   25    6    3 o  1581.78   76.265   39.632   3.7774   34.931   5.3309   44.372   5.3532  1469.34  116.832  1662.68  103.334 -193.3322 155.9728 
1 1 1   25    6    5 o  1059.25   95.251   18.019   3.1255   20.506   5.6623   16.929   3.7482  1102.90  169.376  1019.06  119.748 83.83984 207.4317 
1 1 1   25    6    7 o  889.261   96.475   12.741   2.6432   9.1310   4.2432   15.031   3.3790  726.429  185.801  961.523  114.479 -235.0933 218.2372 
1 1 1   25    6    9 o  1682.13   76.824   44.784   4.0465   40.510   5.6845   49.174   5.7614  1585.31  115.303  1751.32  105.556 -166.0026 156.3235 
1 1 1   25    6   11 o  984.742   81.546   15.469   2.4918   15.353   3.5306   15.583   3.5174  971.201  118.559  978.995  117.064 -7.794556 166.6136 
1 1 1   25    6   13 o  624.591  141.764   6.5719   2.7091   6.5719   2.7091   0.0000   0.0000  624.591  141.764  ?   ?  0.000000 141.7644 
1 1 1   25    6   15 o  1105.30  117.484   19.849   4.0038   19.849   4.0038   0.0000   0.0000  1105.30  117.484  ?   ?  0.000000 117.4841 
1 1 1   25    6   17 o  559.506  143.003   5.3044   2.5148   5.3431   3.0155   5.2160   4.5574  561.416  162.337  575.881  203.086 -14.46478 259.9950 
1 1 1   25    6   19 o  573.158  169.654   5.5999   3.2595   5.4427   4.5331   5.7681   4.6901  581.457  202.714  595.222  206.269 -13.76495 289.2053 
1 1 1   25    6   21 o  609.563  154.808   6.3867   2.9604   6.3867   2.9604   0.0000   0.0000  609.563  154.808  ?   ?  0.000000 154.8078 
1 1 1   25    6   23 o  387.520  143.828   2.0192   2.3241   2.1219   2.5727   1.5636   5.4194  401.732  150.884  490.985  206.786 -89.25305 255.9819 
1 1 1   25    6   25 o  1558.10   82.821   38.907   4.0262   35.107   5.6512   42.823   5.7374  1458.50  124.949  1618.53  113.936 -160.0267 169.0968 
1 1 1   25    6   27 o  512.161  137.747   4.5586   2.2571   4.7037   3.0961   4.3940   3.2976  520.331  167.367  508.937  173.078 11.39487 240.7644 
1 1 1   25    6   29 o  720.851  117.398   8.8915   2.5587   5.9700   3.5867   11.919   3.6511  565.603  179.953  818.325  147.934 -252.7216 232.9541 
1 1 1   25    6   31 o  566.234  146.339   5.9622   2.6134   6.9306   3.3564   4.4712   4.1648  596.123  170.949  497.296  190.754 98.82687 256.1457 
1 1 1   25    6   33 o  1038.16  134.924   19.713   4.2823   15.351   6.1502   23.819   5.9663  795.631  232.352  1082.72  182.471 -287.0922 295.4369 
1 1 1   25    6   35 f  510.491  161.312   5.4402   2.8859   4.7609   3.8873   6.2743   4.3075  473.179  183.536  519.914  195.245 -46.73553 267.9668 
1 1 1   25    6   37 o  230.128  111.646  -2.9996   2.5119  -5.6757   3.4211   0.1308   3.7002  242.160  119.988  336.955  154.547 -94.79549 195.6574 
1 1 1   25    6   39 o  331.773  137.997   1.7773   2.3684   1.4260   4.1642   1.9453   2.8794  358.885  164.364  347.526  148.707 11.35818 221.6516 
1 1 1   25    6   41 o  288.019  130.609   0.5212   2.5471  -5.7337   4.3218   3.8502   3.1529  260.153  129.872  390.464  160.510 -130.3117 206.4707 
1 1 1   25    7    0 o  262.425  111.827   0.0369   1.6162   1.4091   2.3057  -1.2885   2.2660  362.783  141.175  269.471  122.580 93.31207 186.9657 
1 1 1   25    7    2 o  765.028   95.335   9.4577   2.2342   4.2211   3.1692   14.631   3.1501  513.365  169.613  950.570  107.737 -437.2047 200.9367 
1 1 1   25    7    4 o  1478.56   90.086   34.868   4.1509   34.271   7.3457   35.148   5.0311  1434.70  166.616  1478.10  109.482 -43.39490 199.3673 
1 1 1   25    7    6 o  558.346  114.647   5.1692   1.9373   5.2290   2.7383   5.1093   2.7412  557.181  152.504  551.166  153.272 6.014465 216.2169 
1 1 1   25    7    8 o  892.243   89.481   12.759   2.4663   9.5443   3.3933   16.358   3.5908  754.386  148.936  1004.16  116.358 -249.7690 189.0004 
1 1 1   25    7   10 o  920.563   89.141   13.571   2.5373   10.744   3.4121   17.067   3.7950  804.154  140.628  1024.74  120.579 -220.5892 185.2447 
1 1 1   25    7   12 o  877.906  104.831   12.464   2.8247   11.846   3.3498   13.985   5.2554  848.316  130.272  901.276  192.094 -52.95947 232.1011 
1 1 1   25    7   14 o  472.509  152.326   3.5826   2.5635   3.5826   2.5635   0.0000   0.0000  472.509  152.326  ?   ?  0.000000 152.3256 
1 1 1   25    7   16 o  598.231  141.695   6.0481   2.6134   10.498   3.0969  -4.9580   4.8705  796.735  128.510  353.852  167.184 442.8830 210.8680 
1 1 1   25    7   18 o  525.372  144.777   4.6599   2.4580   4.8173   2.7854   4.1058   5.2262  534.704  156.427  555.896  213.575 -21.19281 264.7335 
1 1 1   25    7   20 o  764.926  124.349   9.7014   2.8761   10.135   3.2817   8.2660   5.9719  776.822  140.068  691.425  232.927 85.39673 271.7978 
1 1 1   25    7   22 f  414.670  161.484   1.9765   3.0185  -1.6087   3.7632   8.4444   5.0546  352.122  159.301  690.593  212.753 -338.4711 265.7833 
1 1 1   25    7   24 f  785.636  106.726   10.133   2.5575   13.050   3.5008   6.7954   3.7453  884.147  130.364  622.182  181.212 261.9650 223.2319 
1 1 1   25    7   26 f  334.830  131.067   1.2364   1.9964   0.7562   2.8191   1.7194   2.8275  358.956  150.035  392.546  155.256 -33.58984 215.9049 
1 1 1   25    7   28 o  244.218  112.611  -1.3187   2.0009  -3.6268   2.8060   1.0689   2.8539  252.739  121.465  365.839  151.768 -113.1000 194.3893 
1 1 1   25    7   30 o  199.307   97.108  -3.2089   1.9565  -2.4342   2.5243  -4.3744   3.0962  252.872  119.740  255.637  124.005 -2.765610 172.3798 
1 1 1   25    7   32 o  567.743  151.485   6.1597   2.7429   6.9188   3.6129   5.1269   4.2143  582.713  179.930  510.740  192.842 71.97293 263.7479 
1 1 1   25    7   34 o  531.251  152.361   5.6090   2.6660   10.243   3.7331   0.7853   3.8087  705.291  170.845  370.326  164.419 334.9654 237.1104 
1 1 1   25    7   36 o  278.311  130.418  -1.4408   2.8580   1.4172   3.4641  -7.5337   5.0579  364.914  159.590  291.810  144.816 73.10394 215.5007 
1 1 1   25    7   38 o  567.410  143.386   6.7123   2.5486   3.0559   4.0492   9.1113   3.2798  401.633  174.131  640.385  163.115 -238.7519 238.5957 
1 1 1   25    7   40 o  397.638  150.413   3.5939   2.5669  -1.2392   4.4096   6.0710   3.1568  316.009  151.967  485.978  169.181 -169.9689 227.4120 
1 1 1   25    8    1 o  875.299   89.124   12.285   2.4086   15.674   3.5606   9.4258   3.2704  981.883  118.183  750.613  144.389 231.2703 186.5893 
1 1 1   25    8    3 o  2220.92   94.555   78.423   6.5756   62.321   11.489   86.266   8.0188  1926.00  193.109  2322.96  110.242 -396.9620 222.3609 
1 1 1   25    8    5 o  481.780  119.533   3.8641   1.7946   5.0786   2.4351   2.4205   2.6550  550.174  140.774  422.181  154.230 127.9933 208.8165 
1 1 1   25    8    7 o  425.174  124.093   2.9595   1.7547   2.3438   2.5766   3.4921   2.3962  416.101  151.947  465.871  146.967 -49.77002 211.3934 
1 1 1   25    8    9 o  1191.19   95.808   22.685   3.5433   20.621   4.3294   26.872   6.1667  1127.13  124.761  1276.10  157.684 -148.9725 201.0706 
1 1 1   25    8   11 o  965.268   87.262   14.888   2.6090   15.298   3.6228   14.445   3.7604  969.528  122.039  938.845  131.524 30.68347 179.4210 
1 1 1   25    8   13 o  336.855  132.380   1.1147   2.0434   1.0283   2.3438   1.3883   4.1721  349.987  140.385  448.300  184.505 -98.31235 231.8404 
1 1 1   25    8   15 o  290.762  129.219  -0.7491   2.3580  -0.7491   2.3580   0.0000   0.0000  290.762  129.219  ?   ?  0.000000 129.2186 
1 1 1   25    8   17 o  857.700  118.089   12.040   3.0874   12.261   3.6589   11.494   5.7528  858.089  141.082  804.191  221.434 53.89819 262.5585 
1 1 1   25    8   19 o  295.731  129.210  -0.3482   2.2659  -0.4603   2.5215   0.1222   5.1658  309.192  135.664  454.988  196.972 -145.7959 239.1709 
1 1 1   25    8   21 o  733.028  165.659   9.2516   3.7129   13.279   4.5519   1.2453   6.4179  879.291  171.487  521.329  222.516 357.9619 280.9295 
1 1 1   25    8   23 o  461.499  164.321   3.2056   2.9905   3.2056   2.9905   0.0000   0.0000  461.499  164.321  ?   ?  0.000000 164.3212 
1 1 1   25    8   25 f  683.194  173.986   8.2810   3.7321   8.2112   5.5562   8.3383   5.0377  673.607  224.677  677.294  213.017 -3.687134 309.6064 
1 1 1   25    8   27 o  596.563  143.264   6.2568   2.6425   4.1572   3.3977   9.4707   4.2037  498.628  175.406  715.231  185.968 -216.6030 255.6390 
1 1 1   25    8   29 o  612.401  141.262   6.7243   2.6536   5.0270   3.5154   8.9723   4.0458  524.428  178.699  682.821  184.743 -158.3929 257.0283 
1 1 1   25    8   31 o  816.235  161.339   12.565   3.9774   12.565   3.9774   0.0000   0.0000  816.235  161.339  ?   ?  0.000000 161.3389 
1 1 1   25    8   33 o  383.599  141.405   2.4848   2.2390   6.6605   3.4268  -0.6256   2.9576  568.708  175.174  309.230  140.425 259.4783 224.5105 
1 1 1   25    8   35 o  742.048  158.163   11.077   3.5626   12.000   4.3835   9.2793   6.1147  735.217  189.281  583.527  229.100 151.6904 297.1772 
1 1 1   25    8   37 o  530.015  157.565   6.0423   2.8070   15.541   4.3654  -0.6532   3.6651  848.855  170.163  322.889  150.107 525.9660 226.9087 
1 1 1   25    8   39 o  468.808  162.281   5.1688   2.9026   9.6149   4.4794   1.9506   3.8110  578.507  201.519  366.009  163.359 212.4978 259.4149 
1 1 1   25    9    0 o  787.506   96.489   9.9973   2.3295   9.2705   3.5051   10.572   3.1177  742.126  155.801  801.776  128.525 -59.65045 201.9712 
1 1 1   25    9    2 o  924.247  102.914   13.757   2.9278   3.5904   5.5025   17.772   3.4579  556.455  217.659  1050.93  106.555 -494.4722 242.3413 
1 1 1   25    9    4 o  1349.73   81.113   28.911   3.4122   28.359   4.9210   29.421   4.7356  1326.30  119.785  1353.28  112.782 -26.97729 164.5245 
1 1 1   25    9    6 o  1369.33   78.765   29.727   3.3630   23.650   4.6919   36.148   4.8228  1208.61  125.822  1504.09  103.022 -295.4756 162.6183 
1 1 1   25    9    8 o  1831.50   88.976   53.149   5.1027   45.490   8.5530   57.381   6.3581  1662.69  166.521  1894.94  107.600 -232.2573 198.2596 
1 1 1   25    9   10 o  537.506  119.777   4.7991   1.9644   2.7556   2.7521   6.9215   2.8048  440.692  157.558  642.795  143.036 -202.1028 212.8000 
1 1 1   25    9   12 o  703.667  107.190   8.0671   2.2872   10.017   3.1417   5.8683   3.3361  778.504  133.697  590.881  170.719 187.6232 216.8403 
1 1 1   25    9   14 o  1470.44   80.930   34.340   3.7119   28.536   5.1432   40.650   5.3626  1326.54  125.305  1591.64  108.243 -265.0955 165.5840 
1 1 1   25    9   16 o  262.866  125.926  -3.9839   2.9627  -3.9839   2.9627   0.0000   0.0000  262.866  125.926  ?   ?  0.000000 125.9265 
1 1 1   25    9   18 o  609.703  155.301   6.3243   2.9731   7.2527   3.4078   3.3658   6.0835  650.802  166.538  561.986  225.907 88.81512 280.6578 
1 1 1   25    9   20 o  827.772  125.051   11.302   3.1402   9.2872   3.5022   19.564   7.0925  738.919  156.251  1048.50  222.895 -309.5786 272.2067 
1 1 1   25    9   22 o  289.025  130.825  -1.2340   2.5420  -1.2340   2.5420   0.0000   0.0000  289.025  130.825  ?   ?  0.000000 130.8249 
1 1 1   25    9   24 f  753.057  128.293   9.5126   2.9167   10.917   3.5200   6.4369   5.2101  800.868  145.735  617.485  217.209 183.3829 261.5690 
1 1 1   25    9   26 o  615.732  145.281   6.6260   2.7558   6.6290   3.3869   6.6202   4.7407  608.308  170.798  607.844  207.516 0.4644165 268.7655 
1 1 1   25    9   28 o  457.562  156.130   3.5633   2.6835   1.3172   3.3447   7.6214   4.4958  392.817  163.740  629.338  201.602 -236.5212 259.7195 
1 1 1   25    9   30 o  695.257  146.443   8.8094   3.0874  -1.0895   4.4929   17.666   4.2497  375.016  171.369  996.674  140.037 -621.6589 221.3085 
1 1 1   25    9   32 o  248.527  113.476  -0.8664   1.9650  -0.1826   3.1312  -1.3107   2.5239  330.859  147.842  272.982  126.085 57.87714 194.3057 
1 1 1   25    9   34 o  379.838  157.025   1.9526   3.0398   3.1034   3.6614  -0.5999   5.4529  429.088  174.281  393.349  182.939 35.73969 252.6665 
1 1 1   25    9   36 f  407.335  150.191   3.1730   2.5261   20.355   4.4966  -4.7499   3.0534  1023.08  144.377  238.266  117.169 784.8168 185.9391 
1 1 1   25    9   38 o  160.728   81.143  -5.6803   1.9475   0.3484   3.5600  -8.2548   2.3264  334.532  152.742  ?   ?  0.000000 152.7425 
1 1 1   25   10    1 o  582.388  138.383   5.6665   2.4863   3.8065   4.6243   6.4228   2.9487  538.819  202.307  618.330  153.107 -79.51025 253.7119 
1 1 1   25   10    3 o  611.246  118.147   6.1567   2.1795   4.0255   3.2776   7.8461   2.9181  510.788  172.556  686.703  140.449 -175.9156 222.4897 
1 1 1   25   10    5 o  1093.23   87.230   19.027   2.9612   18.860   4.2636   19.183   4.1157  1077.98  128.867  1088.99  122.846 -11.01453 178.0393 
1 1 1   25   10    7 o  860.892   97.330   11.902   2.5776   13.649   3.7382   10.319   3.5589  913.004  134.817  787.429  149.816 125.5757 201.5447 
1 1 1   25   10    9 f  804.337  107.167   10.470   2.6319   10.224   4.0558   10.649   3.4592  777.620  171.202  801.810  143.025 -24.18976 223.0836 
1 1 1   25   10   11 o  785.969   92.916   9.9304   2.2425   10.868   3.0206   8.7795   3.3471  815.522  122.040  723.387  152.572 92.13531 195.3760 
1 1 1   25   10   13 o  499.549  134.490   4.1591   2.1504   4.6950   2.9410   3.5434   3.1522  533.400  161.901  485.862  169.061 47.53796 234.0802 
1 1 1   25   10   15 o  436.642  135.197   3.0818   2.0382   2.0590   2.8446   4.1609   2.9218  414.473  157.966  507.421  162.524 -92.94766 226.6432 
1 1 1   25   10   17 o  798.718  145.999   10.664   3.5168   10.664   3.5168   0.0000   0.0000  798.718  145.999  ?   ?  0.000000 145.9989 
1 1 1   25   10   19 o  813.715  227.434   11.779   6.0197   11.779   6.0197   0.0000   0.0000  813.715  227.434  ?   ?  0.000000 227.4338 
1 1 1   25   10   21 o  545.665  174.189   4.9402   3.3585   4.9402   3.3585   0.0000   0.0000  545.665  174.189  ?   ?  0.000000 174.1890 
1 1 1   25   10   23 o  595.280  157.028   6.1124   2.9692   4.6940   3.2506   13.257   7.2953  530.347  171.587  839.031  255.063 -308.6843 307.4068 
1 1 1   25   10   25 o  632.946  137.581   6.8949   2.6489   6.9131   3.8119   6.8779   3.6836  621.419  183.339  620.456  179.427 0.9638672 256.5291 
1 1 1   25   10   27 o  305.833  130.281   0.2864   2.1922   2.7749   3.2951  -1.6898   2.9364  441.750  169.618  297.344  136.856 144.4062 217.9446 
1 1 1   25   10   29 o  976.546  104.493   15.992   3.1456   15.341   4.7275   16.509   4.2138  907.651  172.650  965.355  143.790 -57.70416 224.6852 
1 1 1   25   10   31 o  897.927  110.778   13.840   3.0486   7.9456   5.0896   17.138   3.8072  610.306  214.682  988.296  125.885 -377.9901 248.8684 
1 1 1   25   10   33 o  224.624  110.276  -4.5280   2.6693  -3.0508   3.1713  -8.1173   4.9433  274.308  131.106  294.193  145.495 -19.88458 195.8509 
1 1 1   25   10   35 o  218.090  104.631  -2.3366   2.0623   0.8570   3.5098  -4.0208   2.5488  360.483  159.047  221.820  108.666 138.6635 192.6247 
1 1 1   25   10   37 o  415.891  151.475   3.4553   2.5582   10.916   4.4917  -0.1268   3.1124  665.830  199.631  315.362  143.534 350.4684 245.8751 
1 1 1   25   11    0 o  1089.73  101.434   18.996   3.4214   9.9045   6.1491   23.073   4.1177  763.859  234.549  1199.56  110.880 -435.6964 259.4371 
1 1 1   25   11    2 o  530.651  145.099   4.6746   2.4802   7.8840   4.5483   3.3164   2.9589  684.270  199.810  473.012  163.840 211.2581 258.3941 
1 1 1   25   11    4 o  441.337  148.848   2.9534   2.4388   4.9842   4.5267   2.1229   2.8948  576.757  202.486  421.299  159.643 155.4574 257.8503 
1 1 1   25   11    6 o  651.025  121.210   6.9702   2.3800   7.3249   3.3865   6.6240   3.3455  659.717  164.500  627.888  167.186 31.82898 234.5452 
1 1 1   25   11    8 o  1416.20   83.302   31.805   3.6777   28.416   5.2424   35.088   5.1607  1326.80  127.764  1480.35  112.168 -153.5538 170.0153 
1 1 1   25   11   10 o  740.656  112.134   8.9291   2.5192   9.1891   3.7222   8.7094   3.4221  738.167  165.166  720.323  156.222 17.84448 227.3432 
1 1 1   25   11   12 o  661.988  123.647   7.2324   2.4688   5.8312   3.1206   9.5763   4.0361  589.250  163.420  750.764  174.932 -161.5146 239.3888 
1 1 1   25   11   14 o  1115.69   88.299   19.850   3.0595   18.357   4.2703   21.423   4.3856  1060.91  131.357  1149.62  123.781 -88.71387 180.4889 
1 1 1   25   11   16 o  501.204  135.033   4.1913   2.1668   5.7609   2.9234   2.2776   3.2279  584.444  156.587  438.375  167.986 146.0693 229.6487 
1 1 1   25   11   18 f  416.672  154.925   2.2650   2.6989   2.2650   2.6989   0.0000   0.0000  416.672  154.925  ?   ?  0.000000 154.9246 
1 1 1   25   11   20 o  292.645  130.246  -0.7823   2.4043   0.1342   2.5726  -7.1044   6.7570  330.849  141.040  409.377  194.446 -78.52774 240.2109 
1 1 1   25   11   22 o  922.832  139.246   14.214   3.8985   16.742   4.4035   5.0474   8.3843  1000.61  144.751  646.318  263.256 354.2889 300.4277 
1 1 1   25   11   24 o  651.758  185.953   7.5891   3.9814   7.5891   3.9814   0.0000   0.0000  651.758  185.953  ?   ?  0.000000 185.9529 
1 1 1   25   11   26 o  486.221  154.745   4.0716   2.6521   1.7176   4.1184   5.7395   3.4665  438.215  182.097  566.037  176.489 -127.8216 253.5893 
1 1 1   25   11   28 o  517.541  146.981   4.8008   2.4934   5.5994   3.9379   4.2664   3.2213  551.987  189.129  493.975  170.960 58.01193 254.9454 
1 1 1   25   11   30 o  790.642  127.199   10.951   3.0423   18.261   5.2099   7.1693   3.7475  982.507  175.802  605.641  182.519 376.8661 253.4155 
1 1 1   25   11   32 f  383.051  161.343   1.4945   3.2997  -3.3374   4.1157   10.188   5.5207  317.350  151.032  668.528  223.960 -351.1774 270.1275 
1 1 1   25   11   34 o  318.075  134.785   0.8084   2.3252   3.9373   4.0133  -0.7725   2.8527  462.060  184.266  299.716  136.801 162.3439 229.4963 
1 1 1   25   11   36 o  604.076  178.311   8.0285   3.6049  -2.2685   10.538   9.3931   3.8363  448.071  219.800  652.603  181.265 -204.5313 284.9019 
1 1 1   25   11   38 o  607.857  152.597   7.7808   2.9001   13.743   4.5277   3.6328   3.7765  761.307  190.419  421.250  174.655 340.0575 258.3870 
1 1 1   25   12    1 o  997.388  105.953   15.953   3.2583   21.748   5.9844   13.511   3.8846  1147.30  171.872  908.301  141.167 239.0033 222.4139 
1 1 1   25   12    3 o  937.849  113.015   14.174   3.2520   13.757   5.9263   14.354   3.8900  896.148  214.124  937.931  136.452 -41.78253 253.9064 
1 1 1   25   12    5 f  867.013  121.524   12.202   3.2085   9.8922   5.7204   13.263   3.8756  762.875  224.458  899.033  142.417 -136.1580 265.8271 
1 1 1   25   12    7 o  458.525  153.175   3.2258   2.5823  -1.1952   4.9864   4.8461   3.0187  427.425  189.028  543.776  163.796 -116.3504 250.1214 
1 1 1   25   12    9 f  525.653  138.743   4.5960   2.3171   0.9643   3.3692   7.8551   3.1917  402.615  165.764  684.949  152.708 -282.3337 225.3829 
1 1 1   25   12   11 o  536.296  141.424   4.7949   2.4089   1.3201   3.7271   7.2877   3.1568  429.696  175.328  658.523  155.570 -228.8272 234.3974 
1 1 1   25   12   13 o  630.486  122.982   6.5683   2.3407   8.1793   3.1586   4.6058   3.4862  699.072  148.861  538.990  177.883 160.0815 231.9526 
1 1 1   25   12   15 o  514.289  135.461   4.4107   2.2117   7.4914   3.0424   0.9578   3.2209  667.972  149.222  394.068  162.141 273.9042 220.3561 
1 1 1   25   12   17 o  428.829  146.210   2.7822   2.3533   0.0595   3.0124   7.0461   3.7698  355.437  152.096  643.948  179.979 -288.5119 235.6393 
1 1 1   25   12   19 o  618.427  187.701   6.4706   3.9531   6.4706   3.9531   0.0000   0.0000  618.427  187.701  ?   ?  0.000000 187.7009 
1 1 1   25   12   21 o  441.670  165.765   2.5743   3.1041   0.7295   3.3837   12.370   7.7973  391.482  164.060  821.490  265.748 -430.0080 312.3101 
1 1 1   25   12   23 o  492.890  174.995   3.7835   3.3893   5.7126   3.7879  -3.9619   7.5903  576.460  185.094  469.558  217.502 106.9023 285.5986 
1 1 1   25   12   25 f  703.976  195.296   9.1526   4.4561   9.1526   4.4561   0.0000   0.0000  703.976  195.296  ?   ?  0.000000 195.2958 
1 1 1   25   12   27 o  411.494  153.926   2.4874   2.6721   3.3680   3.9647   1.7543   3.6172  478.020  185.370  417.716  171.842 60.30466 252.7683 
1 1 1   25   12   29 o  502.277  146.997   4.5537   2.4592   5.3487   3.8294   3.9957   3.2082  537.539  186.378  479.339  170.249 58.19952 252.4311 
1 1 1   25   12   31 o  366.471  141.130   1.9173   2.2857   4.4643   3.4868  -0.0022   3.0269  492.631  177.216  334.364  147.603 158.2670 230.6342 
1 1 1   25   12   33 o  780.619  127.228   10.936   3.0027   10.862   4.4098   11.001   4.1000  719.499  192.123  737.611  179.272 -18.11194 262.7731 
1 1 1   25   12   35 o  736.518  129.601   10.009   2.8797   10.565   4.2892   9.5533   3.8858  693.615  191.289  669.549  181.012 24.06543 263.3566 
1 1 1   25   12   37 o  266.096  122.023  -0.7123   2.3052   2.3945   3.6580  -2.7587   2.9689  395.125  168.304  260.919  125.275 134.2065 209.8092 
1 1 1   25   13    0 o  1042.12   92.114   17.293   2.9749   11.584   4.1682   23.219   4.2471  834.058  165.443  1204.01  114.010 -369.9563 200.9220 
1 1 1   25   13    2 o  938.331   99.339   14.088   2.8743   9.2195   4.1554   18.555   3.9801  739.660  180.914  1073.50  120.486 -333.8421 217.3631 
1 1 1   25   13    4 o  952.167  116.734   14.623   3.4075   6.5167   6.2591   18.037   4.0623  663.258  237.559  1056.82  125.191 -393.5643 268.5281 
1 1 1   25   13    6 o  664.313  146.267   7.3495   2.9602  -1.0715   5.4917   10.798   3.5144  452.886  199.426  809.231  143.974 -356.3449 245.9660 
1 1 1   25   13    8 o  704.110  194.490   8.3843   4.4298   0.0000   0.0000   8.3843   4.4298  ?   ?   704.110  194.490 0.000000 194.4901 
1 1 1   25   13   10 o  1204.77  107.988   23.243   4.0305   16.334   5.3661   32.187   6.1053  987.210  180.234  1409.60  140.181 -422.3909 228.3306 
1 1 1   25   13   12 o  298.383  128.644  -0.1562   2.1853   2.5401   3.4380  -1.9840   2.8307  458.081  173.883  293.282  134.758 164.7991 219.9888 
1 1 1   25   13   14 o  806.245  118.487   10.584   2.9020   7.2698   4.2471   13.487   3.9746  657.275  193.411  904.508  145.251 -247.2325 241.8797 
1 1 1   25   13   16 o  542.068  147.899   4.9084   2.5802   5.0085   3.6635   4.8100   3.6345  558.356  182.258  549.750  181.638 8.605469 257.3134 
1 1 1   25   13   18 o  1155.62  117.525   21.610   4.1935   20.819   5.8425   22.450   6.0227  1113.60  173.179  1157.99  171.266 -44.38892 243.5630 
1 1 1   25   13   20 o  284.526  125.807  -0.5881   2.2078   0.1542   3.0210  -1.4390   3.2344  356.801  152.488  328.091  148.124 28.70950 212.5872 
1 1 1   25   13   22 o  500.316  167.163   4.0806   3.0755   4.7220   3.2930  -0.3001   8.6062  531.533  172.762  553.728  246.435 -22.19489 300.9597 
1 1 1   25   13   24 o  600.760  166.841   6.3856   3.2503   5.9997   3.5455   8.4180   8.1362  582.705  177.964  691.484  266.274 -108.7792 320.2701 
1 1 1   25   13   26 o  935.563  144.407   15.145   4.0942   19.459   4.5881  -1.7182   9.0713  1064.52  141.123  521.263  240.149 543.2601 278.5452 
1 1 1   25   13   28 o  353.864  141.428   1.3860   2.3693   1.4853   3.3229   1.2832   3.3791  396.431  164.054  392.531  164.183 3.899658 232.0986 
1 1 1   25   13   30 o  1133.45   96.875   21.371   3.4052   18.627   5.0623   23.638   4.6018  1002.99  167.066  1167.90  127.930 -164.9041 210.4209 
1 1 1   25   13   32 o  248.916  116.472  -1.7198   2.2652  -6.2640   3.8241   0.7364   2.8115  268.081  131.688  343.602  146.982 -75.52094 197.3461 
1 1 1   25   13   34 o  251.033  121.376  -3.6262   2.9080   0.0000   0.0000  -3.6262   2.9080  ?   ?   251.033  121.376 0.000000 121.3763 
1 1 1   25   13   36 o  269.272  122.955  -0.7060   2.3075   1.4164   3.5314  -2.2874   3.0482  374.029  162.390  275.924  130.924 98.10449 208.5945 
1 1 1   25   14    1 o  1547.97   86.322   37.927   4.1674   37.491   5.9153   38.357   5.8722  1530.10  124.545  1548.43  122.105 -18.33313 174.4162 
1 1 1   25   14    3 o  592.957  142.720   5.8456   2.6179   7.1260   4.9256   5.3414   3.0906  662.019  210.909  569.169  164.280 92.85004 267.3395 
1 1 1   25   14    5 o  1473.22  116.213   34.695   5.3174   28.717   7.8124   39.855   7.2581  1314.09  195.846  1569.52  149.492 -255.4291 246.3811 
1 1 1   25   14    7 o  680.841  161.581   7.7620   3.3930   0.0000   0.0000   7.7620   3.3930  ?   ?   680.841  161.581 0.000000 161.5810 
1 1 1   25   14    9 o  780.174  155.695   10.125   3.6702   0.0000   0.0000   10.125   3.6702  ?   ?   780.174  155.695 0.000000 155.6952 
1 1 1   25   14   11 o  387.161  166.984  -0.1828   3.6849   0.0000   0.0000  -0.1828   3.6849  ?   ?   387.161  166.984 0.000000 166.9843 
1 1 1   25   14   13 o  695.672  183.042   8.1871   4.0411   8.1871   4.0411   0.0000   0.0000  695.672  183.042  ?   ?  0.000000 183.0416 
1 1 1   25   14   15 o  737.828  117.918   8.8931   2.6325   6.5189   3.6241   11.545   3.8304  623.001  177.297  833.284  152.419 -210.2828 233.8077 
1 1 1   25   14   17 o  881.705  119.786   12.665   3.2215   11.583   4.9604   13.454   4.2365  819.714  195.923  897.816  156.378 -78.10162 250.6794 
1 1 1   25   14   19 o  773.167  129.627   9.9058   3.0272   6.6057   3.8702   15.107   4.8586  622.201  185.025  943.058  170.822 -320.8570 251.8226 
1 1 1   25   14   21 o  264.577  119.398  -0.9738   2.0989  -2.4815   2.8422   0.8345   3.1128  280.465  130.984  380.100  158.160 -99.63513 205.3564 
1 1 1   25   14   23 o  755.982  166.400   10.034   3.8322   10.034   3.8322   0.0000   0.0000  755.982  166.400  ?   ?  0.000000 166.3998 
1 1 1   25   14   25 o  1050.90  131.104   18.643   4.2203   20.209   4.6440   11.215   10.113  1089.79  139.277  750.515  294.641 339.2772 325.9005 
1 1 1   25   14   27 o  377.195  158.331   0.9864   3.1599   1.4635   3.3615  -2.6370   9.2642  399.900  165.208  509.698  237.516 -109.7973 289.3225 
1 1 1   25   14   29 o  598.543  185.608   6.8345   3.8399   6.1685   4.1640   10.620   9.9270  571.065  194.490  691.968  284.674 -120.9035 344.7684 
1 1 1   25   14   31 o  425.733  151.073   3.0774   2.5257   4.2374   3.6600   2.0229   3.4897  488.647  180.665  411.184  168.929 77.46246 247.3393 
1 1 1   25   14   33 o  662.896  147.560   8.2197   2.9841   10.886   4.1623   5.3996   4.2805  735.661  181.751  522.822  194.966 212.8390 266.5428 
1 1 1   25   14   35 o  716.100  147.369   9.7985   3.1942   8.7149   4.3940   11.013   4.6517  623.230  199.271  702.066  201.227 -78.83575 283.1988 
1 1 1   25   15    0 f  1122.06  105.114   20.096   3.6501   23.059   5.9482   18.306   4.6228  1187.47  164.381  1061.75  142.658 125.7211 217.6524 
1 1 1   25   15    2 o  432.336  149.252   2.7301   2.4544   2.2176   4.4543   2.9535   2.9412  489.245  194.435  458.594  162.997 30.65143 253.7181 
1 1 1   25   15    4 o  839.404  135.971   11.510   3.4516   14.583   5.4022   9.3903   4.4868  932.092  191.502  746.580  191.119 185.5118 270.5539 
1 1 1   25   15    6 o  385.744  144.335   1.8153   2.3499   1.9305   4.4542   1.7708   2.7661  480.649  193.271  403.079  155.246 77.56998 247.9009 
1 1 1   25   15    8 o  869.611  130.456   12.308   3.4427   10.394   6.9153   12.938   3.9695  789.110  249.745  887.554  148.048 -98.44379 290.3290 
1 1 1   25   15   10 f  313.973  138.540  -0.7259   2.6637  -5.4970   5.4512   0.7707   3.0529  379.322  178.502  381.657  157.538 -2.335205 238.0784 
1 1 1   25   15   12 o  464.191  161.385   3.1594   2.8722  -4.7625   6.5610   5.0375   3.1945  438.190  202.706  555.364  168.773 -117.1736 263.7690 
1 1 1   25   15   14 o  231.499  107.630  -1.6603   1.8850  -4.3513   2.5027   1.8674   2.8654  226.922  110.400  409.933  157.974 -183.0102 192.7274 
1 1 1   25   15   16 o  397.615  137.717   2.3240   2.0906   0.5499   2.8353   4.4375   3.0947  360.952  150.633  524.180  167.195 -163.2273 225.0433 
1 1 1   25   15   18 f  755.710  118.377   9.3811   2.7092   7.9028   3.8002   10.909   3.8634  678.030  177.069  803.046  159.266 -125.0158 238.1579 
1 1 1   25   15   20 o  213.535  101.904  -2.4417   1.9008  -1.7117   2.8762  -3.0079   2.5328  299.278  136.894  249.870  118.790 49.40810 181.2483 
1 1 1   25   15   22 o  605.137  137.391   6.2630   2.5439   9.3391   3.8444   3.8671   3.3929  728.887  171.333  495.986  175.196 232.9012 245.0478 
1 1 1   25   15   24 o  432.683  150.077   2.9595   2.4831   6.1714   3.9033   0.7762   3.2182  589.881  187.732  378.711  159.417 211.1703 246.2867 
1 1 1   25   15   26 o  893.241  164.197   14.167   4.4233   14.167   4.4233   0.0000   0.0000  893.241  164.197  ?   ?  0.000000 164.1973 
1 1 1   25   15   28 o  349.133  152.533   0.0376   3.1573   0.0376   3.1573   0.0000   0.0000  349.133  152.533  ?   ?  0.000000 152.5327 
1 1 1   25   15   30 o  585.744  181.565   6.5494   3.6749   6.5494   3.6749   0.0000   0.0000  585.744  181.565  ?   ?  0.000000 181.5652 
1 1 1   25   15   32 o  400.973  145.521   2.6410   2.3580   0.8323   3.3565   4.4036   3.3135  370.673  159.623  489.409  173.104 -118.7365 235.4666 
1 1 1   25   15   34 o  352.318  139.860   1.6711   2.3024  -4.8434   3.6962   5.8013   2.9431  276.260  134.349  544.296  161.232 -268.0357 209.8700 
1 1 1   25   16    1 o  1017.58  100.717   16.519   3.1670   17.830   4.3410   15.027   4.6306  1050.11  135.156  956.349  160.305 93.76489 209.6781 
1 1 1   25   16    3 o  978.474  102.772   15.299   3.1017   15.939   4.2275   14.553   4.5649  990.652  140.200  940.556  160.774 50.09528 213.3171 
1 1 1   25   16    5 o  442.114  145.825   2.9919   2.3430   1.0683   3.2001   5.2145   3.4398  399.637  162.693  568.422  175.574 -168.7851 239.3640 
1 1 1   25   16    7 o  374.964  150.934   1.0745   2.7196  -1.4207   3.5419   4.6591   4.2452  350.844  156.972  562.161  196.161 -211.3176 251.2359 
1 1 1   25   16    9 o  371.299  145.271   1.3550   2.4516  -1.7906   3.4576   4.5353   3.4766  337.542  152.701  539.393  177.621 -201.8509 234.2367 
1 1 1   25   16   11 o  822.960  146.047   11.158   3.6256   13.851   6.7028   10.045   4.3107  896.634  235.651  772.086  181.386 124.5482 297.3760 
1 1 1   25   16   13 o  861.356  191.819   12.593   5.0408   0.0000   0.0000   12.593   5.0408  ?   ?   861.356  191.819 0.000000 191.8190 
1 1 1   25   16   15 o  735.549  161.282   9.1189   3.6123   8.1008   7.6985   9.4063   4.0905  723.877  262.903  743.412  178.069 -19.53564 317.5322 
1 1 1   25   16   17 o  582.406  134.702   5.6956   2.4076   5.7331   3.1525   5.6430   3.7293  582.334  165.234  582.474  183.292 -0.1398926 246.7758 
1 1 1   25   16   19 o  831.528  117.818   11.360   2.9818   8.8822   3.9350   14.703   4.5697  715.179  176.735  930.489  162.770 -215.3090 240.2697 
1 1 1   25   16   21 o  732.728  126.470   8.9830   2.7968   7.1322   3.7573   11.283   4.1882  637.517  180.214  804.763  171.453 -167.2465 248.7429 
1 1 1   25   16   23 o  504.579  150.100   4.3582   2.5467   2.9027   3.5939   5.8262   3.6092  463.506  177.340  577.430  180.093 -113.9244 252.7505 
1 1 1   25   16   25 o  256.150  117.139  -1.2138   2.1043  -1.0510   2.9139  -1.3913   3.0421  312.810  140.968  312.333  142.058 0.4769592 200.1309 
1 1 1   25   16   27 o  690.850  141.160   8.3455   2.9505   8.3041   4.1402   8.3882   4.2057  666.563  189.434  669.134  191.192 -2.571533 269.1464 
1 1 1   25   16   29 o  505.503  176.299   4.4825   3.4288   3.2487   3.6141   15.598   10.848  462.731  177.648  793.266  306.904 -330.5356 354.6103 
1 1 1   25   16   31 o  745.597  171.895   10.510   3.9310   10.134   4.2685   12.610   10.086  720.027  187.484  712.213  289.263 7.814270 344.7073 
1 1 1   25   17    0 o  965.243  107.986   14.908   3.2079   13.707   4.2588   16.483   4.8770  914.773  154.163  1003.53  160.621 -88.75641 222.6322 
1 1 1   25   17    2 o  922.272  118.755   13.690   3.3498   10.811   4.2210   18.590   5.5055  806.229  172.421  1064.15  171.020 -257.9185 242.8514 
1 1 1   25   17    4 o  459.608  158.289   3.0931   2.7599   2.3690   3.4081   4.4724   4.7039  453.961  172.932  568.726  205.665 -114.7656 268.7070 
1 1 1   25   17    6 o  510.864  152.759   4.2253   2.6327   5.7716   3.5623   2.3644   3.9079  594.509  177.677  473.308  183.901 121.2010 255.7122 
1 1 1   25   17    8 o  301.088  134.520  -1.0401   2.5912  -7.1374   4.2158   2.6622   3.2851  296.156  143.898  459.292  170.892 -163.1355 223.4077 
1 1 1   25   17   10 o  806.003  142.329   10.682   3.4607   12.705   4.6439   8.1544   5.1900  871.823  176.173  701.461  215.497 170.3617 278.3455 
1 1 1   25   17   12 o  840.439  136.291   11.583   3.4638   7.6186   4.4617   17.598   5.4955  674.018  198.208  1027.23  177.257 -353.2087 265.9071 
1 1 1   25   17   14 o  843.470  202.379   12.252   5.2767   0.0000   0.0000   12.252   5.2767  ?   ?   843.470  202.379 0.000000 202.3787 
1 1 1   25   17   16 o  567.098  208.145   4.6444   4.8438   0.0000   0.0000   4.6444   4.8438  ?   ?   567.098  208.145 0.000000 208.1449 
1 1 1   25   17   18 o  1154.94  154.712   22.267   5.4544   9.3182   9.7328   28.196   6.5857  762.902  291.850  1295.87  166.126 -532.9676 335.8187 
1 1 1   25   17   20 o  241.675  113.912  -2.3355   2.2365  -4.5876   2.8013   1.6238   3.7142  241.821  117.452  431.034  175.353 -189.2125 211.0539 
1 1 1   25   17   22 o  664.689  135.353   7.5114   2.7214   7.8992   3.5434   6.9535   4.2493  670.825  168.823  627.985  195.337 42.84009 258.1814 
1 1 1   25   17   24 o  415.508  154.328   2.4352   2.6768   3.5483   3.6497   1.1395   3.9377  486.567  180.308  420.641  176.665 65.92670 252.4316 
1 1 1   25   17   26 o  572.040  156.517   5.7962   2.8849   5.4107   3.7114   6.3847   4.5854  554.680  183.562  596.950  204.090 -42.27069 274.4954 
1 1 1   25   17   28 o  335.247  148.754  -0.4720   3.1130  -1.1477   3.2629   6.3754   10.388  327.233  148.161  649.362  280.217 -322.1294 316.9754 
1 1 1   25   17   30 o  334.422  151.768  -1.1106   3.4476  -1.1106   3.4476   0.0000   0.0000  334.422  151.768  ?   ?  0.000000 151.7676 
1 1 1   25   18    1 o  639.427  183.706   6.7314   3.8728   6.7314   3.8728   0.0000   0.0000  639.427  183.706  ?   ?  0.000000 183.7059 
1 1 1   25   18    3 o  548.346  177.949   4.7010   3.4942   3.8886   3.7511   10.030   9.6068  522.131  184.236  819.821  294.238 -297.6896 347.1585 
1 1 1   25   18    5 o  401.489  167.340   0.6334   3.4929   0.6334   3.4929   0.0000   0.0000  401.489  167.340  ?   ?  0.000000 167.3400 
1 1 1   25   18    7 o  933.278  188.085   14.562   5.3066   14.562   5.3066   0.0000   0.0000  933.278  188.085  ?   ?  0.000000 188.0855 
1 1 1   25   18    9 o  606.284  206.045   5.6705   4.6735   5.6705   4.6735   0.0000   0.0000  606.284  206.045  ?   ?  0.000000 206.0453 
1 1 1   25   18   11 o  482.663  195.151   1.9110   4.5685   1.9110   4.5685   0.0000   0.0000  482.663  195.151  ?   ?  0.000000 195.1510 
1 1 1   25   18   13 o  369.863  168.060  -2.2298   4.2443  -2.2298   4.2443   0.0000   0.0000  369.863  168.060  ?   ?  0.000000 168.0596 
1 1 1   25   18   15 o  512.815  185.131   3.7999   3.8091   5.4653   4.1643  -4.7338   9.4267  582.489  194.514  535.193  245.914 47.29541 313.5434 
1 1 1   25   18   17 o  824.939  245.728   12.256   6.8219   21.938   9.4887   1.8975   9.8149  1083.00  278.305  632.078  272.572 450.9213 389.5503 
1 1 1   25   18   19 o  1037.42  236.172   19.587   7.4998   20.501   10.971   18.785   10.275  1016.02  313.519  979.419  303.606 36.60559 436.4297 
1 1 1   25   18   21 o  650.548  245.887   6.6762   6.8563   12.185   9.5904   0.9176   9.8056  808.332  293.456  602.700  265.882 205.6321 395.9916 
1 1 1   25   18   23 o  631.029  167.083   6.9964   3.3534   8.0720   3.5543  -1.7204   10.118  677.213  168.341  567.216  258.410 109.9970 308.4063 
1 1 1   25   18   25 o  308.392  135.827  -0.4132   2.5488  -0.8163   2.6195   6.7600   11.049  301.784  135.010  691.457  293.454 -389.6727 323.0217 
1 1 1   25   18   27 o  662.915  181.335   8.0484   3.8728   7.6468   4.1028   11.331   11.731  643.873  190.277  752.759  309.546 -108.8858 363.3506 
1 1 1   25   18   29 o  383.853  165.103   0.5985   3.5824   0.1672   3.7876   4.2594   11.035  381.821  166.933  622.642  277.935 -240.8209 324.2137 
1 1 1   25   19    0 o  500.259  184.388   3.2356   3.8069   3.2356   3.8069   0.0000   0.0000  500.259  184.388  ?   ?  0.000000 184.3884 
1 1 1   25   19    2 o  954.603  202.199   15.261   5.8559   15.261   5.8559   0.0000   0.0000  954.603  202.199  ?   ?  0.000000 202.1994 
1 1 1   25   19    4 o  495.279  186.574   2.9865   3.9393   2.9865   3.9393   0.0000   0.0000  495.279  186.574  ?   ?  0.000000 186.5738 
1 1 1   25   19    6 o  558.201  174.581   5.0032   3.3890   5.0032   3.3890   0.0000   0.0000  558.201  174.581  ?   ?  0.000000 174.5808 
1 1 1   25   19    8 o  708.591  195.423   8.4541   4.4765   9.0451   5.0692   6.3607   9.5402  732.583  210.089  729.562  286.253 3.020630 355.0749 
1 1 1   25   19   10 o  734.498  194.519   9.1635   4.5446   9.6741   5.2449   7.6255   9.1032  753.563  212.886  743.174  282.741 10.38922 353.9252 
1 1 1   25   19   12 o  385.084  173.142  -1.7744   4.3666  -3.1192   4.9527   2.9201   9.2533  389.392  178.672  648.398  271.488 -259.0059 325.0067 
1 1 1   25   19   14 o  829.421  214.018   12.002   5.5955   8.4068   7.0380   18.178   9.2250  719.490  252.488  996.604  282.608 -277.1133 378.9688 
1 1 1   25   19   16 o  981.012  239.686   17.260   7.2999   17.260   7.2999   0.0000   0.0000  981.012  239.686  ?   ?  0.000000 239.6865 
1 1 1   25   19   18 f  653.459  185.659   7.3816   3.9774   10.066   4.3199  -7.5626   10.193  761.184  183.411  520.775  244.757 240.4087 305.8521 
1 1 1   25   19   20 o  532.853  229.676   1.0400   6.9621  -2.1233   9.6959   4.4069   10.003  563.453  255.232  666.965  280.924 -103.5120 379.5546 
1 1 1   25   19   24 o  566.883  244.571   2.0927   7.9092 -12.7969   11.749   14.434   10.696  502.245  243.121  843.422  309.342 -341.1780 393.4472 
1 1 1   25   19   26 o  426.363  161.708   2.4877   2.9719   2.1305   3.0866   7.0289   11.005  417.011  163.045  692.169  293.262 -275.1581 335.5383 
1 1 1   25   19   28 o  398.056  156.859   1.9065   2.8763   1.9928   2.9597   0.4400   12.200  404.316  159.184  608.035  279.524 -203.7188 321.6723 
1 1 1   25   20    1 o  599.279  187.268   5.7707   3.9004   5.5998   4.1790   6.9259   10.865  597.026  194.649  776.663  305.244 -179.6376 362.0248 
1 1 1   25   20    3 f  984.448  155.346   15.864   4.6298   15.669   5.0119   16.999   12.089  974.176  170.516  1000.20  331.309 -26.02588 372.6142 
1 1 1   25   20    5 o  365.108  153.370   0.3756   2.9686  -2.3827   3.1173   27.243   9.7290  304.306  140.402  1258.51  255.608 -954.2019 291.6305 
1 1 1   25   20    7 o  446.861  166.088   2.5425   3.1013   2.0243   3.2867   6.7518   9.3672  435.068  168.760  733.562  284.803 -298.4941 331.0472 
1 1 1   25   20    9 f  516.266  169.486   4.1841   3.1663   4.1365   3.3641   4.5535   9.3739  518.560  174.820  686.187  278.798 -167.6275 329.0755 
1 1 1   25   20   11 o  1059.95  165.826   18.647   5.3233   20.396   6.0890   12.978   10.965  1103.30  182.643  881.017  314.548 222.2818 363.7293 
1 1 1   25   20   13 o  538.783  205.561   3.6624   4.8203   1.3044   5.6492   9.9755   9.2433  505.202  211.863  789.592  287.876 -284.3909 357.4331 
1 1 1   25   20   15 o  668.710  204.507   7.6077   4.6801   5.6834   5.2344   15.278   10.450  609.150  217.345  916.639  308.126 -307.4893 377.0681 
1 1 1   25   20   17 o  551.025  224.282   2.8832   6.0800   2.8832   6.0800   0.0000   0.0000  551.025  224.282  ?   ?  0.000000 224.2816 
1 1 1   25   20   19 o  436.097  187.047   0.3709   4.5750   2.8101   5.0582 -10.5973   10.726  515.102  206.368  506.982  241.979 8.119415 318.0277 
1 1 1   25   20   21 o  567.818  202.254   5.0925   4.5309   5.1166   4.9512   4.9685   11.238  576.575  210.619  697.590  295.999 -121.0148 363.2845 
1 1 1   25   20   23 o  677.797  294.006   3.9192   11.554   3.9192   11.554   0.0000   0.0000  677.797  294.006  ?   ?  0.000000 294.0063 
1 1 1   25   20   25 o  835.312  334.092   14.002   13.232   14.002   13.232   0.0000   0.0000  835.312  334.092  ?   ?  0.000000 334.0920 
1 1 1   25   21    0 o  703.813  182.272   8.2850   4.0489   9.2090   4.3256   1.7496   11.504  741.128  186.536  702.083  298.745 39.04456 352.1989 
1 1 1   25   21    2 o  645.852  194.634   6.8532   4.2616   7.8929   4.6507   1.4079   10.643  689.355  202.261  672.513  286.786 16.84161 350.9352 
1 1 1   25   21    4 o  1272.62  132.780   26.084   5.2132   30.124   5.8488   10.471   11.499  1366.94  138.563  850.135  319.054 516.8023 347.8432 
1 1 1   25   21    6 o  1105.57  134.664   19.795   4.5655   18.190   4.9538   28.847   11.764  1053.52  154.782  1272.04  300.188 -218.5181 337.7427 
1 1 1   25   21    8 o  1005.06  154.513   16.617   4.7070   16.617   4.7070   0.0000   0.0000  1005.06  154.513  ?   ?  0.000000 154.5134 
1 1 1   25   21   10 o  448.360  168.365   2.5137   3.2030   2.0760   3.3841   6.2778   9.9245  439.700  171.051  729.434  290.120 -289.7340 336.7913 
1 1 1   25   21   12 o  738.975  175.563   9.2676   4.0022   12.225   4.2822 -11.1545   11.253  853.486  166.213  529.780  251.427 323.7062 301.4006 
1 1 1   25   21   14 o  670.251  188.111   7.6546   4.1092   7.6546   4.1092   0.0000   0.0000  670.251  188.111  ?   ?  0.000000 188.1110 
1 1 1   25   21   16 o  496.888  201.928   2.1404   4.9187   5.7159   5.4863 -12.5063   11.104  614.513  222.129  508.292  243.575 106.2207 329.6513 
1 1 1   25   21   18 o  682.099  220.492   7.9456   5.3685   7.9456   5.3685   0.0000   0.0000  682.099  220.492  ?   ?  0.000000 220.4922 
1 1 1   25   21   20 o  517.816  206.232   2.9606   5.0212   2.4008   5.5723   5.3786   11.580  520.799  213.655  717.950  302.322 -197.1509 370.1982 
1 1 1   25   21   22 o  388.206  180.095  -3.5763   5.2333  -3.5763   5.2333   0.0000   0.0000  388.206  180.095  ?   ?  0.000000 180.0948 
1 1 1   25   21   24 o  409.438  177.362   0.1304   4.1936   0.1304   4.1936   0.0000   0.0000  409.438  177.362  ?   ?  0.000000 177.3619 
1 1 1   25   22    1 o  541.713  194.286   4.1273   4.1878   5.7605   4.4816  -7.1195   11.761  607.134  201.750  594.207  273.638 12.92712 339.9716 
1 1 1   25   22    3 f  715.701  181.738   8.6045   4.0803   8.2374   4.3396   11.404   11.984  700.717  192.066  876.098  326.321 -175.3812 378.6491 
1 1 1   25   22    5 o  724.719  191.754   8.8560   4.4189   8.8560   4.4189   0.0000   0.0000  724.719  191.754  ?   ?  0.000000 191.7541 
1 1 1   25   22    7 o  1444.05  126.539   33.494   5.6640   35.467   6.3532   25.854   12.503  1482.65  138.450  1192.06  325.714 290.5933 353.9181 
1 1 1   25   22    9 o  455.397  171.910   2.5418   3.3487   3.4512   3.4941  -7.7065   11.729  494.564  177.456  581.013  269.569 -86.44925 322.7357 
1 1 1   25   22   11 o  1172.87  138.774   22.378   4.9977   22.591   5.5025   21.372   11.945  1173.77  153.380  1078.30  326.062 95.47375 360.3360 
1 1 1   25   22   13 o  475.431  172.817   3.1300   3.3275   1.8406   3.4652   18.395   11.923  434.232  171.834  1003.23  328.872 -568.9994 371.0571 
1 1 1   25   22   15 o  324.392  145.824  -1.3176   3.0955   0.7013   3.2068 -28.8973   11.853  385.120  160.414  428.060  213.900 -42.94037 267.3683 
1 1 1   25   22   17 f  326.028  146.588  -1.3112   3.1299  -1.9740   3.2469   7.3890   11.764  318.287  145.537  768.469  312.285 -450.1826 344.5334 
1 1 1   25   22   19 o  514.923  210.163   2.3408   5.3572   3.6640   5.9949  -2.9046   11.936  567.093  225.505  621.225  282.103 -54.13251 361.1575 
1 1 1   25   22   21 o  619.409  236.393   5.5085   6.3759   5.5085   6.3759   0.0000   0.0000  619.409  236.393  ?   ?  0.000000 236.3929 
1 1 1   25   23    0 o  615.620  210.187   5.7864   4.8635   7.1306   5.3396  -0.7580   11.782  669.659  220.107  672.174  294.134 -2.515442 367.3715 
1 1 1   25   23    2 o  821.415  187.702   11.342   4.7222   11.342   4.7222   0.0000   0.0000  821.415  187.702  ?   ?  0.000000 187.7015 
1 1 1   25   23    4 o  650.155  195.589   6.9718   4.3063   6.9718   4.3063   0.0000   0.0000  650.155  195.589  ?   ?  0.000000 195.5888 
1 1 1   25   23    6 o  820.602  177.203   11.294   4.4200   10.710   4.6775   16.168   13.507  796.223  190.218  983.788  349.340 -187.5651 397.7706 
1 1 1   25   23    8 o  754.892  185.499   9.6309   4.3534   9.9369   4.6060   7.0681   13.329  765.830  192.339  815.101  331.961 -49.27075 383.6563 
1 1 1   25   23   10 o  817.605  176.182   11.252   4.3774   11.547   4.6267   8.7363   13.518  826.617  183.536  841.472  337.284 -14.85571 383.9863 
1 1 1   25   23   12 o  447.384  172.690   2.2474   3.4285   2.9575   3.5540  -7.2827   13.020  477.370  177.723  619.016  286.073 -141.6470 336.7839 
1 1 1   25   23   14 o  278.695  132.048  -3.5455   3.0791  -3.0756   3.1773 -10.7968   12.482  293.309  137.467  568.568  268.329 -275.2591 301.4919 
1 1 1   25   23   16 o  215.817  106.162  -5.1567   2.5131  -5.7532   2.5688   8.1441   12.130  212.008  104.856  793.941  319.053 -581.9337 335.8417 
1 1 1   25   23   18 o  234.745  114.550  -4.9435   2.7521  -5.8519   2.8288   11.137   11.902  227.821  112.176  837.262  322.149 -609.4406 341.1204 
1 1 1   25   24    1 o  562.215  206.428   4.2449   4.7649   2.3092   5.0814   18.344   13.714  515.931  206.793  1038.16  352.956 -522.2309 409.0732 
1 1 1   25   24    3 o  738.647  188.294   9.1687   4.3681   9.0844   4.5557   10.130   15.378  735.107  194.794  907.218  361.040 -172.1111 410.2376 
1 1 1   25   24    5 o  555.430  192.777   4.5834   4.0974   4.5834   4.0974   0.0000   0.0000  555.430  192.777  ?   ?  0.000000 192.7772 
1 1 1   25   24    7 o  562.999  196.557   4.6973   4.2626   5.3172   4.4520  -2.1263   14.772  589.452  201.101  726.263  323.059 -136.8104 380.5374 
1 1 1   25   24    9 o  437.614  176.356   1.5361   3.7176   0.8745   3.8799   8.9551   12.992  425.595  176.790  841.558  332.815 -415.9640 376.8565 
1 1 1   25   24   11 o  550.897  191.336   4.5523   4.0367   6.9411   4.2206 -21.0807   13.826  646.149  193.464  533.166  259.413 112.9823 323.6099 
1 1 1   25   24   13 o  427.329  172.811   1.4361   3.5831   1.2561   3.7241   3.6780   13.144  428.220  175.053  753.863  320.015 -325.6435 364.7646 
1 1 1   25   24   15 o  388.022  167.897  -0.2328   3.7495  -2.4486   3.9221   23.301   12.782  348.683  159.626  1114.39  337.354 -765.7043 373.2138 
1 1 1   25   25    0 o  817.034  302.024   9.5482   10.228   14.088   12.780   1.4632   17.056  946.867  339.427  826.318  357.821 120.5485 493.2001 
1 1 1   25   25    2 o  831.823  303.307   10.239   10.261   6.6349   12.916   16.406   16.897  811.580  328.134  1032.38  386.889 -220.8028 507.3018 
1 1 1   25   25    4 o  389.764  172.782  -1.2633   4.1904  -2.7361   4.3729   15.282   14.657  370.031  169.081  986.949  362.097 -616.9177 399.6281 
1 1 1   25   25    6 o  713.231  211.843   8.4639   5.0756   8.9903   5.4187   4.6975   14.494  734.313  219.064  810.314  339.561 -76.00043 404.0924 
1 1 1   25   25    8 o  373.258  168.754  -2.0995   4.2153  -2.4385   4.4039   1.6042   14.558  376.603  171.148  767.615  331.487 -391.0121 373.0624 
1 1 1   25   25   10 o  576.834  194.300   5.1496   4.1555   4.2972   4.3495   14.068   14.070  550.674  197.949  948.127  353.489 -397.4530 405.1397 
1 1 1   25   25   12 o  510.977  195.450   3.1053   4.3647   5.0344   4.6024 -14.1374   13.760  581.245  204.166  581.476  276.567 -0.2299805 343.7629 
1 1 1   25   26    1 o  1412.58  390.920   36.469   17.877   0.0000   0.0000   36.469   17.877  ?   ?   1412.58  390.920 0.000000 390.9196 
1 1 1   25   26    3 o  679.225  309.936  -6.9020   14.630   0.0000   0.0000  -6.9020   14.630  ?   ?   679.225  309.936 0.000000 309.9358 
1 1 1   25   26    5 o  683.906  314.499  -8.4649   15.460   0.0000   0.0000  -8.4649   15.460  ?   ?   683.906  314.499 0.000000 314.4987 
1 1 1   25   26    7 o  497.704  191.965   2.7569   4.2341   2.3702   4.4144   7.2014   14.966  492.627  194.261  856.944  350.686 -364.3163 400.8963 
1 1 1   25   27    0 o  460.878  190.395   1.1091   4.4646   2.0612   4.6523  -9.9804   15.878  494.531  197.990  684.930  316.315 -190.3998 373.1695 
1 1 1   25   27    2 o  623.348  213.878   5.8532   5.0364   6.3920   5.3207   1.2112   15.618  646.935  219.850  796.526  343.660 -149.5903 407.9655 
1 1 1   26    0    0 o  2226.73  171.759   81.473   11.812   81.473   11.812   81.473   11.812  2226.73  171.759  2226.73  171.759 -0.000000 0.000000 
1 1 1   26    0    2 o  483.754  220.757   5.5590   3.6351   5.5590   3.6351   5.5590   3.6351  483.754  220.757  483.754  220.757 -0.000000 0.000000 
1 1 1   26    0    4 o  1022.01  123.804   17.313   3.8073   17.313   3.8073   17.313   3.8073  1022.01  123.804  1022.01  123.804 -0.000000 0.000000 
1 1 1   26    0    6 o  336.046  178.598   2.6453   2.5378   2.6453   2.5378   2.6453   2.5378  336.046  178.598  336.046  178.598 -0.000000 0.000000 
1 1 1   26    0    8 o  524.941  249.667   6.6706   4.6817   6.6706   4.6817   6.6706   4.6817  524.941  249.667  524.941  249.667 -0.000000 0.000000 
1 1 1   26    0   10 o  407.342  190.881   3.9090   2.7261   3.9090   2.7261   3.9090   2.7261  407.342  190.881  407.342  190.881 -0.000000 0.000000 
1 1 1   26    0   12 o  1385.12  115.156   30.995   4.9151   30.995   4.9151   30.995   4.9151  1385.12  115.156  1385.12  115.156 -0.000000 0.000000 
1 1 1   26    0   14 o  293.774  170.856   1.7100   2.5874   1.7100   2.5874   1.7100   2.5874  293.774  170.856  293.774  170.856 -0.000000 0.000000 
1 1 1   26    0   16 o  1145.25  120.182   21.453   4.2012   21.453   4.2012   21.453   4.2012  1145.25  120.182  1145.25  120.182 -0.000000 0.000000 
1 1 1   26    0   18 o  339.330  185.362   2.6289   2.8052   2.6289   2.8052   2.6289   2.8052  339.330  185.362  339.330  185.362 -0.000000 0.000000 
1 1 1   26    0   20 o  324.303  180.607   2.3356   2.7221   2.3356   2.7221   2.3356   2.7221  324.303  180.607  324.303  180.607 -0.000000 0.000000 
1 1 1   26    0   22 o  346.505  206.499   2.2052   3.9413   2.2052   3.9413   2.2052   3.9413  346.505  206.499  346.505  206.499 -0.000000 0.000000 
1 1 1   26    0   24 o  785.495  242.204   12.453   5.2122   12.453   5.2122   12.453   5.2122  785.495  242.204  785.495  242.204 -0.000000 0.000000 
1 1 1   26    0   26 o  950.593  140.803   15.300   3.9208   15.300   3.9208   15.300   3.9208  950.593  140.803  950.593  140.803 -0.000000 0.000000 
1 1 1   26    0   28 o  423.035  205.645   4.3214   3.1957   4.3214   3.1957   4.3214   3.1957  423.035  205.645  423.035  205.645 -0.000000 0.000000 
1 1 1   26    0   30 o  233.175  153.528  -0.3814   2.8569  -0.3814   2.8569  -0.3814   2.8569  233.175  153.528  233.175  153.528 -0.000000 0.000000 
1 1 1   26    0   32 o  627.120  218.910   8.4868   3.8888   8.4868   3.8888   8.4868   3.8888  627.120  218.910  627.120  218.910 -0.000000 0.000000 
1 1 1   26    0   34 o  1068.31  155.050   19.721   4.8684   19.721   4.8684   19.721   4.8684  1068.31  155.050  1068.31  155.050 -0.000000 0.000000 
1 1 1   26    0   36 o  297.561  189.163   0.8927   3.8530   0.8927   3.8530   0.8927   3.8530  297.561  189.163  297.561  189.163 -0.000000 0.000000 
1 1 1   26    0   38 o  509.790  241.217   6.6866   4.3644   6.6866   4.3644   6.6866   4.3644  509.790  241.217  509.790  241.217 -0.000000 0.000000 
1 1 1   26    1    1 o  1197.28  117.329   23.326   4.3421   23.326   4.3421   0.0000   0.0000  1197.28  117.329  ?   ?  0.000000 117.3294 
1 1 1   26    1    3 o  1467.68   92.417   34.496   4.2255   34.962   5.0747   33.441   7.6304  1470.41  111.037  1404.23  177.500 66.17493 209.3696 
1 1 1   26    1    5 o  1222.09   95.278   23.986   3.6171   22.343   4.3654   27.586   6.4609  1170.26  120.873  1280.92  164.914 -110.6624 204.4673 
1 1 1   26    1    7 o  453.334  140.934   3.3594   2.2123   6.5158   4.2558   2.1906   2.5897  619.217  195.915  407.583  151.717 211.6345 247.7919 
1 1 1   26    1    9 o  820.243  110.185   10.973   2.7584   12.834   3.2979   6.6387   5.0327  884.317  122.380  632.865  213.824 251.4512 246.3693 
1 1 1   26    1   11 o  492.183  122.758   4.0574   1.8855   4.6512   2.5901   3.3881   2.7501  526.007  149.952  466.444  158.062 59.56345 217.8742 
1 1 1   26    1   13 o  1825.62   79.390   52.857   4.5383   60.287   6.5483   45.990   6.2954  1936.21  108.446  1685.21  120.088 251.0020 161.8073 
1 1 1   26    1   15 o  590.703  131.271   5.8727   2.3650   4.4825   4.4804   6.4097   2.7846  549.153  200.392  614.049  146.811 -64.89520 248.4162 
1 1 1   26    1   17 o  1281.88   81.119   26.222   3.2392   24.239   4.4327   28.494   4.7452  1219.63  117.526  1323.96  115.621 -104.3340 164.8650 
1 1 1   26    1   19 o  553.455  121.567   5.1537   2.0491   1.4344   2.6819   10.371   3.1763  379.680  150.876  786.852  133.703 -407.1729 201.5939 
1 1 1   26    1   21 o  362.836  131.818   1.8361   1.9356   1.2060   2.5635   2.6717   2.9521  364.723  146.634  437.567  162.161 -72.84412 218.6267 
1 1 1   26    1   23 o  596.871  124.316   6.0219   2.2479   7.7833   2.9982   3.7606   3.3972  672.855  146.463  491.809  175.136 181.0456 228.3068 
1 1 1   26    1   25 f  642.319  123.763   6.9875   2.3989   5.9975   3.2674   8.1452   3.5333  583.122  169.090  677.701  167.471 -94.58002 237.9879 
1 1 1   26    1   27 o  387.153  138.514   2.2830   2.1273  -0.0951   2.9403   4.8954   3.0817  336.927  147.199  526.358  166.734 -189.4308 222.4135 
1 1 1   26    1   29 f  948.084   96.721   14.953   2.8311   18.408   4.0188   11.549   3.9890  1032.10  127.036  788.015  166.860 244.0837 209.7153 
1 1 1   26    1   31 o  314.139  135.078   0.4670   2.3967  -0.8466   3.0083   2.7492   3.9653  309.906  141.076  436.463  179.780 -126.5570 228.5242 
1 1 1   26    1   33 o  652.371  227.159   10.892   5.6915   10.892   5.6915   0.0000   0.0000  652.371  227.159  ?   ?  0.000000 227.1592 
1 1 1   26    1   35 o  748.251  146.994   11.164   3.3211   11.372   4.1158   10.776   5.6228  708.823  183.873  615.940  224.532 92.88336 290.2132 
1 1 1   26    1   37 o  1186.00  145.817   28.848   5.3011   34.455   7.8036   24.043   7.2237  1120.55  230.109  866.739  251.442 253.8067 340.8422 
1 1 1   26    1   39 o  448.185  188.844   6.0242   4.5230   6.0242   4.5230   0.0000   0.0000  448.185  188.844  ?   ?  0.000000 188.8444 
1 1 1   26    1   41 o  422.174  182.383   6.2134   4.4103   1.9210   7.5043   8.4782   5.4510  358.829  177.782  445.707  197.349 -86.87775 265.6180 
1 1 1   26    2    0 o  1338.67  112.154   29.012   4.6578   29.012   4.6578   0.0000   0.0000  1338.67  112.154  ?   ?  0.000000 112.1536 
1 1 1   26    2    2 o  393.340  142.497   2.1623   2.2596   2.4254   2.6477   1.4568   4.3349  419.521  153.903  453.104  187.432 -33.58322 242.5223 
1 1 1   26    2    4 o  361.007  144.856   1.1452   2.4964   1.1452   2.4964   0.0000   0.0000  361.007  144.856  ?   ?  0.000000 144.8558 
1 1 1   26    2    6 o  392.039  140.257   2.1911   2.1812   0.4780   2.5575   6.7615   4.1775  340.681  142.694  628.431  193.383 -287.7498 240.3303 
1 1 1   26    2    8 o  1408.02   93.694   31.732   4.1073   29.981   4.9839   35.438   7.2511  1359.68  118.239  1458.36  161.501 -98.68811 200.1578 
1 1 1   26    2   10 o  995.965  103.115   16.018   3.1692   15.919   3.8372   16.230   5.6210  985.140  127.378  968.983  192.046 16.15662 230.4494 
1 1 1   26    2   12 f  701.681  113.962   8.0951   2.4180   8.7219   2.9343   6.7691   4.2679  722.838  134.596  630.748  195.693 92.09052 237.5122 
1 1 1   26    2   14 o  883.462  101.670   12.636   2.7612   11.762   3.2888   14.723   5.0832  843.751  128.542  924.881  182.006 -81.12982 222.8213 
1 1 1   26    2   16 o  272.516  118.043  -0.1692   1.8573  -0.5861   2.1724   0.9635   3.5811  281.757  124.678  407.461  169.601 -125.7036 210.4973 
1 1 1   26    2   18 o  623.599  125.365   6.5233   2.3630   7.1021   2.9029   5.3864   4.0685  645.085  146.989  571.015  192.256 74.06976 242.0086 
1 1 1   26    2   20 o  214.537  101.857  -2.1888   1.8503  -4.0773   2.2010   2.3609   3.4163  207.568  101.535  442.711  171.962 -235.1434 199.7007 
1 1 1   26    2   22 o  713.549  121.595   8.4994   2.6194   5.1508   3.1642   15.791   4.6692  548.629  168.217  960.066  161.021 -411.4377 232.8617 
1 1 1   26    2   24 o  709.204  130.091   8.5054   2.7825   10.076   3.2383   4.0739   5.4390  769.528  139.530  548.528  215.845 221.0005 257.0166 
1 1 1   26    2   26 o  268.008  122.712  -1.3424   2.3190  -2.2015   2.6260   1.7015   4.9428  269.161  125.771  467.848  197.286 -198.6867 233.9667 
1 1 1   26    2   28 o  396.859  166.952   1.2214   3.5260   2.3832   4.6913  -0.2870   5.3455  465.863  194.031  429.065  192.343 36.79718 273.2108 
1 1 1   26    2   30 o  305.091  136.242  -0.4091   2.6546  -0.3491   3.0793  -0.5826   5.2384  328.250  146.649  406.947  185.603 -78.69650 236.5467 
1 1 1   26    2   32 o  795.542  140.850   11.778   3.3802   12.991   3.9653   8.5532   6.4653  817.393  160.658  590.492  234.382 226.9009 284.1583 
1 1 1   26    2   34 o  712.164  161.497   10.371   3.5184   10.134   4.2340   10.901   6.3248  665.550  192.335  617.878  235.532 47.67200 304.0853 
1 1 1   26    2   36 o  398.845  171.203   2.7597   3.8381  -1.6988   5.6195   6.6581   5.2547  359.151  172.415  497.022  206.041 -137.8714 268.6636 
1 1 1   26    2   38 o  237.731  118.672  -6.4033   3.6063  -6.4033   3.6063   0.0000   0.0000  237.731  118.672  ?   ?  0.000000 118.6715 
1 1 1   26    2   40 o  464.411  176.886   6.2858   3.5654   3.3559   4.8038   9.8796   5.3203  378.684  174.570  503.275  207.871 -124.5919 271.4496 
1 1 1   26    3    1 o  707.647  125.026   8.3207   2.6690   8.8639   3.1406   6.9082   5.0643  725.120  143.401  640.839  214.504 84.28058 258.0227 
1 1 1   26    3    3 o  403.432  148.683   2.1987   2.4752   2.7292   2.9873   1.0366   4.4212  444.139  163.391  446.007  187.253 -1.868652 248.5163 
1 1 1   26    3    5 o  532.184  142.522   4.7843   2.4225   5.1076   2.9335   4.0910   4.2955  549.910  160.435  532.122  195.903 17.78839 253.2144 
1 1 1   26    3    7 o  1315.81   95.920   27.753   3.9248   24.978   4.7493   33.728   6.9703  1238.19  124.170  1424.06  159.033 -185.8749 201.7662 
1 1 1   26    3    9 o  1459.38   90.638   34.007   4.1214   31.286   4.9640   40.043   7.3941  1391.26  114.979  1557.03  153.665 -165.7676 191.9196 
1 1 1   26    3   11 o  943.694   97.391   14.343   2.8365   12.407   3.4579   18.327   4.9592  866.847  131.525  1047.52  155.949 -180.6725 204.0072 
1 1 1   26    3   13 o  249.332  109.665  -0.3924   1.6565  -0.8574   1.9459   0.8313   3.1568  257.299  115.644  384.586  159.587 -127.2867 197.0828 
1 1 1   26    3   15 o  491.271  127.304   4.0525   1.9743   4.3436   2.3290   3.3093   3.7215  508.147  141.268  489.350  181.927 18.79712 230.3352 
1 1 1   26    3   17 o  494.602  140.647   4.1140   2.2816   3.2915   2.7531   5.9179   4.0768  460.547  158.123  592.719  192.202 -132.1713 248.8865 
1 1 1   26    3   19 o  490.723  138.206   4.0630   2.2141   2.8552   2.6468   6.8782   4.0408  437.067  154.700  628.959  189.520 -191.8922 244.6423 
1 1 1   26    3   21 o  397.418  141.346   2.3177   2.2121   1.7784   2.6920   3.4392   3.8820  392.707  152.618  494.271  185.404 -101.5638 240.1390 
1 1 1   26    3   23 o  588.285  135.854   5.9124   2.4520   5.0780   2.9977   7.5992   4.2622  543.724  163.101  653.565  194.128 -109.8412 253.5501 
1 1 1   26    3   25 o  531.996  145.607   4.9040   2.4962   7.3441   3.0851   0.2784   4.2477  647.718  154.314  411.656  178.413 236.0610 235.8898 
1 1 1   26    3   27 o  791.031  124.409   10.646   2.9797   11.793   3.6007   8.1522   5.3078  822.292  145.150  652.931  219.594 169.3607 263.2306 
1 1 1   26    3   29 o  612.645  145.589   6.8177   2.7517   7.0662   3.4673   6.3949   4.5227  609.175  173.438  574.353  202.338 34.82184 266.4984 
1 1 1   26    3   31 o  241.273  117.316  -4.0353   2.8156  -0.8036   4.7582  -5.7765   3.4927  381.134  174.974  255.818  125.702 125.3163 215.4460 
1 1 1   26    3   33 o  765.653  133.751   10.909   3.0899   11.423   3.9843   10.134   4.8944  742.970  174.273  652.823  210.479 90.14716 273.2625 
1 1 1   26    3   35 o  525.995  163.969   5.9767   2.9923   4.3115   3.8879   8.3967   4.6868  451.147  180.863  571.332  205.469 -120.1853 273.7310 
1 1 1   26    3   37 o  403.100  165.620   3.3366   3.3547   1.1934   4.0141   8.3007   6.1091  360.004  163.525  508.707  217.112 -148.7030 271.8049 
1 1 1   26    3   39 o  528.084  185.647   7.8641   3.8057   7.8655   4.6191   7.8611   6.7150  496.218  197.749  457.004  209.088 39.21365 287.7886 
1 1 1   26    4    0 o  1153.91   99.896   21.434   3.5738   20.474   4.2861   23.626   6.4737  1119.17  124.412  1177.32  181.435 -58.15210 219.9931 
1 1 1   26    4    2 o  1378.05   95.838   30.442   4.1097   29.995   4.9619   31.418   7.3340  1359.86  117.689  1364.02  175.805 -4.161865 211.5610 
1 1 1   26    4    4 o  2066.89  115.952   68.934   7.4740   60.996   10.349   77.588   10.806  1907.88  175.188  2164.35  160.589 -256.4647 237.6542 
1 1 1   26    4    6 o  543.587  173.072   4.8733   3.3172   8.8595   4.7373   1.0383   4.6465  712.713  202.663  456.488  191.825 256.2246 279.0505 
1 1 1   26    4    8 o  1663.95   90.965   44.160   4.7216   40.014   5.7065   53.161   8.4071  1574.31  116.591  1798.46  150.676 -224.1586 190.5175 
1 1 1   26    4   10 o  654.016  119.558   7.0769   2.3582   10.119   2.8198   0.0002   4.3009  785.523  118.314  417.386  180.211 368.1374 215.5790 
1 1 1   26    4   12 o  860.650  102.784   11.990   2.7151   10.874   3.3049   14.307   4.7624  809.486  135.150  917.346  172.119 -107.8602 218.8385 
1 1 1   26    4   14 f  816.551  107.145   10.850   2.6734   8.9579   3.2628   14.716   4.6634  728.512  148.078  932.050  165.867 -203.5386 222.3488 
1 1 1   26    4   16 o  353.793  126.165   1.7721   1.7636  -1.2511   2.4056   5.2852   2.5932  279.723  126.878  557.926  146.545 -278.2029 193.8387 
1 1 1   26    4   18 o  321.058  123.755   1.1531   1.7588   2.4274   2.5030  -0.0900   2.4721  413.825  149.966  316.544  136.648 97.28079 202.8854 
1 1 1   26    4   20 o  1158.87   84.035   21.505   3.0286   22.020   4.2230   20.959   4.3459  1160.53  117.847  1128.98  125.034 31.54468 171.8179 
1 1 1   26    4   22 o  466.503  145.915   3.6092   2.3674   2.5496   2.9226   5.6312   4.0373  431.792  161.085  577.229  191.473 -145.4365 250.2205 
1 1 1   26    4   24 o  988.531  103.546   15.954   3.1575   11.242   5.1555   18.783   3.9943  783.065  207.084  1065.38  121.931 -282.3170 240.3145 
1 1 1   26    4   26 o  249.378  116.140  -1.7956   2.2098  -2.7118   2.4880   1.6282   4.8097  249.699  118.423  461.252  194.565 -211.5533 227.7710 
1 1 1   26    4   28 o  504.039  156.577   4.5541   2.7313   4.5729   3.1181   4.4921   5.6621  506.100  168.287  538.198  217.379 -32.09726 274.9076 
1 1 1   26    4   30 o  638.761  192.173   8.3017   4.1571   9.6457   5.5460   6.5783   6.2802  661.722  224.460  572.132  229.691 89.59033 321.1543 
1 1 1   26    4   32 o  534.902  168.953   5.7800   3.1661   6.4271   3.5649   3.3634   6.8887  555.977  179.671  489.143  218.878 66.83435 283.1765 
1 1 1   26    4   34 o  413.616  171.222   2.8659   3.6213   2.8659   3.6213   0.0000   0.0000  413.616  171.222  ?   ?  0.000000 171.2217 
1 1 1   26    4   36 o  404.503  171.531   2.9702   3.7701   2.9702   3.7701   0.0000   0.0000  404.503  171.531  ?   ?  0.000000 171.5307 
1 1 1   26    4   38 o  654.688  187.520   10.950   4.0408   14.377   4.5426  -2.0428   8.8452  752.674  192.098  385.390  191.299 367.2831 271.1034 
1 1 1   26    4   40 o  324.951  153.898   0.3081   4.1736   0.3081   4.1736   0.0000   0.0000  324.951  153.898  ?   ?  0.000000 153.8979 
1 1 1   26    5    1 f  1051.95   85.366   17.691   2.7876   19.371   4.0875   16.230   3.8115  1089.90  121.858  995.491  125.036 94.41040 174.5946 
1 1 1   26    5    3 o  1499.15   81.318   35.748   3.8029   31.464   5.4290   39.875   5.3287  1390.74  126.038  1574.07  108.781 -183.3285 166.4899 
1 1 1   26    5    5 o  1057.33  122.425   18.223   3.9782   0.0000   0.0000   18.223   3.9782  ?   ?   1057.33  122.425 0.000000 122.4254 
1 1 1   26    5    7 o  1909.09   80.601   57.746   4.8182   54.391   6.8335   61.063   6.7946  1836.22  119.501  1949.54  111.771 -113.3110 163.6256 
1 1 1   26    5    9 o  1292.99   77.672   26.555   3.1301   29.492   4.4843   23.765   4.3711  1354.55  106.588  1211.89  116.628 142.6581 157.9970 
1 1 1   26    5   11 o  502.446  117.391   4.2096   1.8136   4.2328   2.6087   4.1878   2.5230  505.760  152.251  502.549  149.379 3.211151 213.2949 
1 1 1   26    5   13 o  1037.99   82.652   17.194   2.6641   19.297   3.7306   15.006   3.8057  1092.19  110.609  955.483  130.625 136.7103 171.1645 
1 1 1   26    5   15 o  1692.44   78.414   45.416   4.1555   43.160   5.8678   47.686   5.8858  1634.22  115.411  1720.64  109.818 -86.41638 159.3103 
1 1 1   26    5   17 o  338.953  126.305   1.4651   1.7958  -0.5397   2.4173   3.9342   2.6826  299.854  132.161  489.844  155.606 -189.9904 204.1561 
1 1 1   26    5   19 o  275.025  117.469   0.0411   1.7909   0.7145   2.3582  -0.8763   2.7526  336.776  138.672  311.666  138.988 25.10980 196.3356 
1 1 1   26    5   21 o  620.551  143.298   6.5731   2.7282   6.5289   3.2208   6.6851   5.1327  614.186  164.275  628.926  215.905 -14.73962 271.2950 
1 1 1   26    5   23 o  777.338  122.846   10.069   2.8908   8.3808   3.4907   13.754   5.1572  693.411  163.440  878.458  192.782 -185.0470 252.7406 
1 1 1   26    5   25 o  521.699  176.173   4.5811   3.4164  -3.5796   4.6039   14.581   5.0965  354.112  165.808  900.667  186.838 -546.5559 249.8008 
1 1 1   26    5   27 o  749.006  139.000   9.7712   3.1400   11.717   3.6437   4.1577   6.1891  816.727  147.926  547.879  225.014 268.8480 269.2832 
1 1 1   26    5   29 f  716.877  167.894   9.6824   3.7025   9.6824   3.7025   0.0000   0.0000  716.877  167.894  ?   ?  0.000000 167.8943 
1 1 1   26    5   31 o  324.551  141.814   0.2836   2.7301   1.4096   3.0524  -4.2181   6.1035  370.982  155.663  376.706  180.536 -5.723572 238.3785 
1 1 1   26    5   33 o  684.657  181.511   9.9741   3.9544   9.9741   3.9544   0.0000   0.0000  684.657  181.511  ?   ?  0.000000 181.5108 
1 1 1   26    5   35 o  357.751  166.184  -0.3457   4.4783   1.1119   5.5155  -3.1657   7.6719  404.227  186.593  394.415  192.198 9.812469 267.8750 
1 1 1   26    5   37 o  332.996  154.732  -0.1561   3.8871  -0.1561   3.8871   0.0000   0.0000  332.996  154.732  ?   ?  0.000000 154.7320 
1 1 1   26    5   39 o  379.441  179.479   2.0205   5.6424   2.0205   5.6424   0.0000   0.0000  379.441  179.479  ?   ?  0.000000 179.4786 
1 1 1   26    6    0 o  582.647  115.712   5.6316   2.0366   6.0528   2.9412   5.2437   2.8228  596.968  155.719  557.272  155.739 39.69659 220.2342 
1 1 1   26    6    2 o  877.047   88.620   12.340   2.4003   14.731   3.4036   9.9728   3.3857  951.331  116.706  771.540  145.477 179.7917 186.5045 
1 1 1   26    6    4 o  1039.14   97.576   17.342   3.1377   14.830   5.8218   18.370   3.7251  922.119  206.735  1065.19  113.428 -143.0750 235.8075 
1 1 1   26    6    6 o  785.593  108.795   10.038   2.6044   11.325   4.4720   9.3772   3.2038  813.165  180.355  749.573  141.691 63.59222 229.3555 
1 1 1   26    6    8 o  563.682  116.988   5.2718   1.9972   3.6393   2.7494   7.0959   2.9062  479.667  157.955  649.092  146.469 -169.4259 215.4137 
1 1 1   26    6   10 o  470.006  121.708   3.6800   1.8054   3.7365   2.5768   3.6254   2.5302  480.874  152.478  474.501  151.161 6.372772 214.7070 
1 1 1   26    6   12 o  852.385  128.980   11.958   3.3349   11.958   3.3349   0.0000   0.0000  852.385  128.980  ?   ?  0.000000 128.9805 
1 1 1   26    6   14 o  613.904  113.784   6.2291   2.1067   5.2250   3.0068   7.1973   2.9526  556.969  162.407  652.111  147.991 -95.14240 219.7210 
1 1 1   26    6   16 o  373.525  130.937   2.0376   1.8925   1.3112   2.6805   2.7595   2.6723  376.818  150.491  435.492  155.304 -58.67474 216.2562 
1 1 1   26    6   18 o  418.847  136.706   2.7872   2.0611   3.8461   2.6965   1.2990   3.1967  485.719  156.188  400.139  162.719 85.57950 225.5485 
1 1 1   26    6   20 o  455.337  149.458   3.3291   2.4623   5.0888   2.8186  -2.3409   5.0594  546.818  156.611  401.220  182.763 145.5979 240.6850 
1 1 1   26    6   22 o  645.181  161.053   7.2120   3.2435   7.2120   3.2435   0.0000   0.0000  645.181  161.053  ?   ?  0.000000 161.0530 
1 1 1   26    6   24 o  407.832  148.006   2.4133   2.4392   0.9563   2.7769   7.3345   5.1036  364.948  150.401  642.941  215.334 -277.9926 262.6581 
1 1 1   26    6   26 o  457.352  166.281   3.2555   3.0808   3.2555   3.0808   0.0000   0.0000  457.352  166.281  ?   ?  0.000000 166.2813 
1 1 1   26    6   28 o  384.866  151.945   1.8704   2.7036   1.9543   2.9802   1.4802   6.4265  397.741  158.733  488.360  215.354 -90.61954 267.5321 
1 1 1   26    6   30 o  411.796  165.375   2.3574   3.2567   2.3574   3.2567   0.0000   0.0000  411.796  165.375  ?   ?  0.000000 165.3746 
1 1 1   26    6   32 o  629.909  180.913   8.2709   3.7565   8.2709   3.7565   0.0000   0.0000  629.909  180.913  ?   ?  0.000000 180.9127 
1 1 1   26    6   34 o  447.964  176.362   3.9364   3.6329   3.9364   3.6329   0.0000   0.0000  447.964  176.362  ?   ?  0.000000 176.3624 
1 1 1   26    6   36 f  690.892  207.023   12.236   4.8315   13.004   5.7217   10.328   9.0195  668.767  227.981  533.861  243.508 134.9059 333.5741 
1 1 1   26    6   38 o  394.145  163.720   3.2270   3.3272  -6.5263   7.2740   5.8075   3.7416  338.235  168.793  474.168  181.059 -135.9324 247.5345 
1 1 1   26    7    1 o  363.285  135.191   1.6786   2.0560   2.9460   4.1052   1.2542   2.3754  492.036  189.230  360.555  142.400 131.4806 236.8240 
1 1 1   26    7    3 o  1772.12   92.071   50.008   5.0914   43.873   8.9609   52.932   6.1870  1621.73  179.473  1817.20  109.241 -195.4670 210.1048 
1 1 1   26    7    5 o  1125.40   82.690   20.158   2.8935   20.808   4.1495   19.544   4.0370  1133.92  118.623  1098.37  119.296 35.54834 168.2352 
1 1 1   26    7    7 o  1145.63   96.196   21.002   3.4189   20.446   5.8263   21.295   4.2222  1103.97  174.332  1147.09  119.297 -43.11926 211.2424 
1 1 1   26    7    9 o  560.207  119.639   5.2129   2.0348   5.7796   2.7962   4.5750   2.9668  585.597  151.383  527.793  163.062 57.80414 222.5000 
1 1 1   26    7   11 o  994.761   87.855   15.817   2.7084   13.400   3.6279   18.860   4.0708  902.909  132.239  1077.12  122.899 -174.2114 180.5304 
1 1 1   26    7   13 o  400.558  139.690   2.3609   2.1527   0.7866   2.4666   7.3913   4.4093  347.373  142.287  657.677  197.928 -310.3042 243.7644 
1 1 1   26    7   15 o  372.265  140.550   1.7057   2.2386   3.3679   2.6286  -2.6817   4.2707  462.883  154.542  360.185  165.508 102.6985 226.4425 
1 1 1   26    7   17 o  444.205  139.557   3.2033   2.1629   2.0315   3.1081   4.3036   3.0118  422.269  164.023  513.055  165.077 -90.78598 232.7102 
1 1 1   26    7   19 o  716.613  154.144   8.7520   3.3561   8.7520   3.3561   0.0000   0.0000  716.613  154.144  ?   ?  0.000000 154.1439 
1 1 1   26    7   21 o  681.244  145.933   7.8973   3.0192   9.1034   3.4511   3.9632   6.2329  729.161  155.878  574.044  229.401 155.1169 277.3494 
1 1 1   26    7   23 o  670.027  144.893   7.6921   2.9514   5.8467   3.3204   14.637   6.4414  580.537  171.066  887.028  229.992 -306.4911 286.6357 
1 1 1   26    7   25 o  281.952  128.239  -1.2307   2.4790   0.8396   2.7598  -9.8772   5.6401  358.312  148.995  325.619  159.947 32.69321 218.5923 
1 1 1   26    7   27 o  748.441  165.179   10.186   3.7674   10.186   3.7674   0.0000   0.0000  748.441  165.179  ?   ?  0.000000 165.1794 
1 1 1   26    7   29 o  817.940  156.977   12.302   3.8742   12.302   3.8742   0.0000   0.0000  817.940  156.977  ?   ?  0.000000 156.9770 
1 1 1   26    7   31 o  1507.31  110.413   39.037   5.1750   36.862   6.0598   44.898   9.9463  1431.36  136.872  1429.34  230.036 2.018799 267.6765 
1 1 1   26    7   33 o  516.700  151.555   5.2656   2.6115   12.911   3.5992  -3.2344   3.7950  825.198  144.563  298.241  142.780 526.9565 203.1865 
1 1 1   26    7   35 o  765.036  165.555   12.198   3.8508   10.971   4.3796   16.377   8.0836  684.354  194.954  684.026  264.848 0.3280029 328.8633 
1 1 1   26    7   37 o  471.291  156.134   4.8647   2.6849   4.6691   3.9979   5.0253   3.6236  447.832  182.027  461.583  177.712 -13.75107 254.3924 
1 1 1   26    7   39 o  289.780  131.292   0.2487   2.5672   10.378   4.2520  -5.5617   3.2204  605.137  196.294  227.807  113.463 377.3301 226.7270 
1 1 1   26    8    0 o  524.367  136.918   4.5983   2.2724   3.5430   4.4961   4.9604   2.6335  524.631  198.919  544.253  149.805 -19.62122 249.0182 
1 1 1   26    8    2 o  570.280  138.023   5.4476   2.4381   3.1402   4.5526   6.3755   2.8870  514.457  198.879  615.280  150.982 -100.8223 249.6966 
1 1 1   26    8    4 o  1493.90   78.770   35.374   3.6717   35.023   5.2596   35.708   5.1279  1476.41  114.670  1492.19  110.534 -15.78113 159.2702 
1 1 1   26    8    6 o  612.765  118.716   6.2003   2.1956   6.5833   3.1737   5.8487   3.0405  624.364  161.219  589.653  160.415 34.71063 227.4301 
1 1 1   26    8    8 o  1788.49   81.863   50.609   4.5845   42.503   6.5077   58.595   6.4595  1621.68  129.230  1914.09  108.218 -292.4119 168.5570 
1 1 1   26    8   10 o  1252.69   93.519   25.053   3.6418   21.979   4.4878   30.980   6.2322  1163.83  125.112  1375.59  146.963 -211.7645 193.0055 
1 1 1   26    8   12 o  260.162  113.609  -0.3110   1.7497  -2.0842   2.2061   2.6956   2.8727  246.141  115.101  441.266  160.545 -195.1256 197.5421 
1 1 1   26    8   14 f  1416.51   97.287   32.106   4.2889   29.826   5.1630   37.182   7.7039  1356.34  122.903  1494.96  167.453 -138.6212 207.7149 
1 1 1   26    8   16 o  325.408  132.092   0.7759   2.1020  -0.1987   2.8080   2.0181   3.1702  334.970  145.118  425.082  165.505 -90.11191 220.1158 
1 1 1   26    8   18 o  536.416  133.689   4.8491   2.2375   3.4787   2.8752   6.9531   3.5627  473.247  161.609  635.986  173.905 -162.7384 237.4038 
1 1 1   26    8   20 o  1062.94  139.391   18.725   4.5276   20.250   5.7654   16.272   7.3131  1089.78  174.868  940.634  245.631 149.1486 301.5181 
1 1 1   26    8   22 o  876.460  126.804   12.746   3.3789   14.045   3.8222   8.1026   7.2281  916.534  137.419  693.428  254.301 223.1060 289.0557 
1 1 1   26    8   24 o  426.410  177.648   1.3219   3.9340   1.3219   3.9340   0.0000   0.0000  426.410  177.648  ?   ?  0.000000 177.6476 
1 1 1   26    8   26 o  903.666  154.150   14.340   4.2053   14.340   4.2053   0.0000   0.0000  903.666  154.150  ?   ?  0.000000 154.1500 
1 1 1   26    8   28 o  473.224  164.386   3.9055   2.9797   2.4442   3.2965   10.430   6.9655  423.697  167.620  691.936  250.262 -268.2385 301.2099 
1 1 1   26    8   30 o  464.516  175.000   3.7540   3.4659   3.7540   3.4659   0.0000   0.0000  464.516  175.000  ?   ?  0.000000 174.9998 
1 1 1   26    8   32 o  572.408  152.912   6.3530   2.7927   8.0800   3.8619   4.4600   4.0433  620.017  184.931  483.107  187.239 136.9094 263.1693 
1 1 1   26    8   34 o  327.213  149.691  -0.5113   3.4405  -0.5113   3.4405   0.0000   0.0000  327.213  149.691  ?   ?  0.000000 149.6905 
1 1 1   26    8   36 o  373.726  145.683   2.4828   2.4586  -2.8072   3.9820   5.7416   3.1254  302.145  145.072  508.868  168.452 -206.7230 222.3111 
1 1 1   26    8   38 o  287.322  128.394   0.2771   2.3619   0.6805   3.8517   0.0340   2.9900  343.793  157.681  305.452  139.665 38.34128 210.6414 
1 1 1   26    9    1 o  1116.27   96.393   19.915   3.3362   15.478   6.2075   21.717   3.9561  946.054  214.494  1162.58  109.982 -216.5279 241.0470 
1 1 1   26    9    3 o  571.269  136.068   5.4500   2.3992  -2.2518   4.7078   8.1519   2.7884  392.735  177.879  702.111  131.672 -309.3758 221.3106 
1 1 1   26    9    5 o  552.031  126.525   5.0697   2.1403   3.3151   3.2010   6.4884   2.8783  478.975  170.063  621.709  149.653 -142.7338 226.5335 
1 1 1   26    9    7 o  735.558  107.726   8.7886   2.4076   5.8574   3.5086   11.397   3.3099  592.765  176.145  833.313  131.186 -240.5476 219.6294 
1 1 1   26    9    9 o  900.791   92.976   13.004   2.5848   16.835   3.7812   9.6440   3.5414  1018.88  120.876  758.398  154.379 260.4849 196.0706 
1 1 1   26    9   11 o  450.594  133.411   3.3260   2.0154   1.4760   2.7154   5.5952   3.0073  386.704  152.400  576.880  160.581 -190.1760 221.3871 
1 1 1   26    9   13 f  1127.59   88.077   20.291   3.0851   19.640   4.4039   20.918   4.3232  1096.85  130.804  1134.81  123.668 -37.95459 180.0095 
1 1 1   26    9   15 o  357.485  139.081   1.3569   2.2375   1.9678   2.9062   0.4678   3.5061  412.993  159.110  392.145  165.804 20.84808 229.7972 
1 1 1   26    9   17 o  358.552  132.887   1.6616   1.9826   0.5597   2.8849   2.6477   2.7291  362.358  151.644  433.313  156.661 -70.95505 218.0329 
1 1 1   26    9   19 o  600.726  143.463   6.1125   2.6614   3.0531   4.3406   7.9555   3.3690  500.407  193.986  682.148  160.419 -181.7416 251.7232 
1 1 1   26    9   21 o  1016.26  131.940   17.077   4.0995   17.077   4.0995   0.0000   0.0000  1016.26  131.940  ?   ?  0.000000 131.9401 
1 1 1   26    9   23 o  548.066  162.109   5.1776   2.9769   0.4908   3.2971   25.847   6.9241  376.887  160.143  1213.89  188.263 -837.0011 247.1612 
1 1 1   26    9   25 f  301.338  136.973  -1.2900   2.8226  -1.2900   2.8226   0.0000   0.0000  301.338  136.973  ?   ?  0.000000 136.9730 
1 1 1   26    9   27 o  778.750  161.816   11.005   3.8169   11.005   3.8169   0.0000   0.0000  778.750  161.816  ?   ?  0.000000 161.8159 
1 1 1   26    9   29 o  458.103  169.965   3.5478   3.2449   2.2230   3.5758   9.7302   7.7245  420.568  171.683  656.060  257.525 -235.4924 309.5057 
1 1 1   26    9   31 o  624.144  147.496   7.3146   2.8369   8.6884   3.8232   5.6313   4.2319  655.379  180.539  530.172  194.560 125.2064 265.4205 
1 1 1   26    9   33 o  401.440  164.586   2.3778   3.3041   0.9846   3.7673   7.0211   6.8777  376.462  165.488  548.151  232.020 -171.6890 284.9903 
1 1 1   26    9   35 o  277.098  128.094  -1.0124   2.6131   0.7752   3.9419  -2.4139   3.4902  367.464  164.919  292.507  139.173 74.95648 215.7952 
1 1 1   26    9   37 o  389.386  169.696   2.3749   3.8861   3.3035   4.8214   0.6528   6.5656  421.325  186.124  402.210  191.227 19.11505 266.8517 
1 1 1   26   10    0 o  1219.31   96.968   23.717   3.6716   22.884   6.6678   24.079   4.3985  1168.40  188.682  1223.78  116.179 -55.38074 221.5821 
1 1 1   26   10    2 o  843.612  114.277   11.533   2.9410   0.8645   5.5494   15.700   3.4681  493.950  208.708  986.461  114.402 -492.5109 238.0061 
1 1 1   26   10    4 o  199.836   95.976  -2.5275   1.7455  -9.7265   4.1157  -0.9486   1.9275  262.617  130.380  254.324  114.627 8.292664 173.6037 
1 1 1   26   10    6 o  739.215  127.428   8.9804   2.8430   2.2031   5.5129   11.436   3.3183  523.401  213.361  835.338  131.187 -311.9370 250.4654 
1 1 1   26   10    8 o  444.830  146.398   3.0800   2.3619   5.0964   4.0182   2.0155   2.9195  568.682  191.066  417.318  159.796 151.3640 249.0802 
1 1 1   26   10   10 o  1183.65   87.965   22.312   3.2369   19.565   4.5784   25.058   4.5770  1094.64  136.544  1246.46  118.704 -151.8148 180.9283 
1 1 1   26   10   12 o  415.447  135.416   2.7011   2.0226   2.0244   2.8193   3.4187   2.9034  412.660  157.265  474.027  162.397 -61.36621 226.0642 
1 1 1   26   10   14 f  1313.92   84.343   27.463   3.4517   24.673   4.7841   30.491   4.9849  1233.09  125.661  1375.10  116.881 -142.0083 171.6160 
1 1 1   26   10   16 o  450.308  144.062   3.2435   2.2962   2.4168   2.9215   4.5796   3.7141  431.413  161.032  539.777  183.682 -108.3640 244.2755 
1 1 1   26   10   18 o  846.883  105.304   11.631   2.7322   11.535   3.8521   11.728   3.8757  827.962  154.258  835.155  153.877 -7.193298 217.8847 
1 1 1   26   10   20 o  536.209  148.232   4.8669   2.5720   6.9722   3.3858   1.9945   3.9549  636.497  167.581  453.781  182.239 182.7155 247.5773 
1 1 1   26   10   22 o  440.910  159.374   2.8465   2.8243   2.8506   3.0707   2.8236   7.1957  448.618  165.557  569.350  238.954 -120.7318 290.7030 
1 1 1   26   10   24 o  267.962  125.849  -2.4840   2.6866  -2.4840   2.6866   0.0000   0.0000  267.962  125.849  ?   ?  0.000000 125.8487 
1 1 1   26   10   26 o  283.404  131.699  -2.0046   2.8168  -2.0046   2.8168   0.0000   0.0000  283.404  131.699  ?   ?  0.000000 131.6985 
1 1 1   26   10   28 o  599.195  188.512   6.9292   3.9450   5.5409   4.5303   11.285   8.0242  548.099  201.277  704.440  266.068 -156.3405 333.6233 
1 1 1   26   10   32 o  276.276  122.752  -0.2332   2.1267   4.4614   3.6935  -2.5615   2.6011  482.941  180.905  251.359  119.748 231.5813 216.9476 
1 1 1   26   10   34 o  482.135  158.439   4.6571   2.7668   2.7372   4.4888   5.8333   3.5135  431.043  185.090  523.303  178.651 -92.25995 257.2437 
1 1 1   26   10   36 o  331.100  143.539   0.9635   2.7510   2.7475   4.2074  -0.3686   3.6358  412.483  178.168  330.981  152.319 81.50204 234.4031 
1 1 1   26   11    1 o  651.054  116.197   6.9423   2.2819   3.3509   3.3321   10.114   3.1315  485.677  173.396  785.152  132.061 -299.4750 217.9589 
1 1 1   26   11    3 o  1239.43  121.854   24.729   4.6680   23.076   6.9236   26.106   6.3206  1172.26  195.507  1260.33  164.049 -88.07312 255.2157 
1 1 1   26   11    5 o  924.574  110.931   13.785   3.1474   11.459   5.9055   14.707   3.7197  815.330  224.291  950.991  128.182 -135.6606 258.3352 
1 1 1   26   11    7 o  475.742  151.798   3.6019   2.5508   7.3421   5.5228   2.5877   2.8759  672.771  223.983  438.907  160.490 233.8638 275.5455 
1 1 1   26   11    9 o  1074.14  105.562   18.519   3.5046   18.678   6.1782   18.443   4.2555  1049.58  195.171  1065.16  130.308 -15.57715 234.6738 
1 1 1   26   11   11 o  381.413  134.513   2.0732   1.9993   2.3771   2.7671   1.7413   2.8920  425.398  157.127  405.536  158.025 19.86188 222.8470 
1 1 1   26   11   13 o  704.643  112.079   8.1098   2.3901   8.0838   3.3308   8.1375   3.4317  692.367  157.223  693.904  161.046 -1.536621 225.0659 
1 1 1   26   11   15 o  939.535   98.739   14.187   2.8614   12.499   3.8895   16.179   4.2244  867.032  148.613  991.990  139.883 -124.9581 204.0910 
1 1 1   26   11   17 o  645.296  135.695   6.9663   2.6549   8.2272   3.3901   4.9665   4.2692  696.555  158.940  565.502  196.750 131.0526 252.9279 
1 1 1   26   11   19 o  650.506  138.978   7.1240   2.7449   9.9564   3.5374   2.8380   4.3515  767.546  152.560  494.540  193.527 273.0067 246.4290 
1 1 1   26   11   21 o  335.530  138.441   0.6932   2.3563   0.4379   3.5530   0.8936   3.1482  389.988  165.988  383.769  159.320 6.219208 230.0755 
1 1 1   26   11   23 o  544.186  199.564   4.6834   4.4513   4.6834   4.4513   0.0000   0.0000  544.186  199.564  ?   ?  0.000000 199.5641 
1 1 1   26   11   25 o  339.300  151.282  -0.6777   3.2593  -0.4197   3.5368  -2.1314   8.3942  359.314  159.037  500.681  230.793 -141.3669 280.2827 
1 1 1   26   11   27 o  593.411  184.318   6.6284   3.7850   6.4788   4.4957   6.9926   7.0143  585.911  202.011  614.581  244.072 -28.66943 316.8269 
1 1 1   26   11   29 o  574.021  182.329   6.3719   3.6832  -0.2742   4.4703   20.422   6.4997  390.584  175.437  1001.66  213.745 -611.0746 276.5229 
1 1 1   26   11   31 o  279.052  126.797  -0.8309   2.4160  -1.7098   3.6485  -0.1445   3.2242  323.881  150.296  337.519  150.477 -13.63824 212.6789 
1 1 1   26   11   33 o  351.805  145.514   1.4245   2.6124  -3.3969   4.0552   4.8450   3.4156  309.457  148.002  492.746  175.594 -183.2893 229.6476 
1 1 1   26   11   35 f  262.134  120.754  -0.9473   2.2927  -0.6322   3.7161  -1.1410   2.9133  334.208  153.873  290.510  134.630 43.69824 204.4561 
1 1 1   26   12    0 o  623.602  168.310   6.5053   3.3629   2.7297   5.2553   9.1235   4.3762  530.528  211.083  734.296  189.165 -203.7679 283.4417 
1 1 1   26   12    2 o  1218.50   86.970   23.573   3.2965   25.263   4.7353   21.984   4.5919  1253.42  122.205  1167.01  127.747 86.41431 176.7862 
1 1 1   26   12    4 o  710.419  135.125   8.3325   2.8960   9.1426   5.4161   8.0081   3.4271  735.419  218.924  690.872  161.342 44.54712 271.9539 
1 1 1   26   12    6 o  1137.13  104.133   20.690   3.6666   18.043   6.3054   22.043   4.5070  1031.10  202.521  1168.61  125.112 -137.5099 238.0496 
1 1 1   26   12    8 o  373.986  150.301   1.1285   2.6922   3.1752   5.1009   0.3382   3.1697  535.838  209.573  373.620  157.792 162.2183 262.3346 
1 1 1   26   12   10 o  1268.65  123.408   25.955   4.8403   0.0000   0.0000   25.955   4.8403  ?   ?   1268.65  123.408 0.000000 123.4083 
1 1 1   26   12   12 o  458.816  176.791   2.4184   3.5884   0.0000   0.0000   2.4184   3.5884  ?   ?   458.816  176.791 0.000000 176.7912 
1 1 1   26   12   14 o  472.830  147.651   3.6051   2.4252   2.6360   3.5062   4.4940   3.3581  462.906  175.626  531.599  174.544 -68.69339 247.6089 
1 1 1   26   12   16 f  727.341  135.231   8.7819   2.9665   5.9728   4.1017   11.863   4.2956  602.016  192.534  837.375  169.640 -235.3593 256.6064 
1 1 1   26   12   18 o  917.737  116.208   13.720   3.2646   9.9402   4.9556   16.618   4.3392  754.243  204.629  1002.46  142.227 -248.2157 249.2022 
1 1 1   26   12   20 o  561.893  151.239   5.3849   2.7197   9.5053   4.0187   1.9028   3.6943  739.347  176.106  439.885  176.318 299.4620 249.2017 
1 1 1   26   12   22 o  915.424  118.470   13.862   3.3162   10.076   4.9439   16.958   4.4712  743.622  205.491  1000.52  147.113 -256.8962 252.7224 
1 1 1   26   12   24 o  299.068  138.251  -2.0071   3.0441  -3.9615   3.2617   11.189   8.4753  276.974  132.538  748.574  275.240 -471.6002 305.4889 
1 1 1   26   12   26 o  1224.46  151.446   26.198   5.6828   27.634   6.7784   22.801   10.425  1231.87  181.139  979.134  306.187 252.7380 355.7553 
1 1 1   26   12   28 o  618.979  180.866   7.3177   3.7256   8.0043   4.8219   6.3007   5.8688  633.554  209.208  581.735  225.548 51.81879 307.6364 
1 1 1   26   12   30 o  593.513  175.999   6.8657   3.5055   7.7910   4.2142   4.7874   6.3157  620.125  194.796  535.293  224.222 84.83197 297.0207 
1 1 1   26   12   32 o  244.182  114.163  -1.5948   2.1686  -3.2617   3.4655  -0.5219   2.7803  287.665  137.368  305.676  137.730 -18.01074 194.5238 
1 1 1   26   12   34 o  313.588  133.344   0.7489   2.2890  -0.0244   3.7023   1.2274   2.9124  351.048  158.484  353.923  150.450 -2.875854 218.5228 
1 1 1   26   13    1 o  1196.06   89.302   22.723   3.3204   23.274   4.6960   22.172   4.6955  1202.02  126.675  1171.98  130.148 30.04041 181.6180 
1 1 1   26   13    3 o  563.423  153.302   5.2738   2.7766   8.4461   4.7410   3.6176   3.4256  708.268  203.192  499.672  176.087 208.5968 268.8742 
1 1 1   26   13    5 o  935.727  112.685   14.107   3.2353   17.332   5.5550   12.452   3.9799  1018.92  180.729  868.222  151.930 150.7026 236.1051 
1 1 1   26   13    7 o  806.836  159.034   10.846   3.8750   0.0000   0.0000   10.846   3.8750  ?   ?   806.836  159.034 0.000000 159.0336 
1 1 1   26   13    9 o  974.991  149.253   15.624   4.4116   0.0000   0.0000   15.624   4.4116  ?   ?   974.991  149.253 0.000000 149.2534 
1 1 1   26   13   11 o  595.341  193.322   5.7057   4.1238   0.0000   0.0000   5.7057   4.1238  ?   ?   595.341  193.322 0.000000 193.3220 
1 1 1   26   13   13 o  419.863  150.232   2.4653   2.5026   2.7569   3.5807   2.1868   3.4991  470.668  177.745  447.764  174.004 22.90350 248.7384 
1 1 1   26   13   15 o  375.707  149.878   1.2503   2.6560  -0.0001   3.6937   2.5887   3.8217  390.557  167.808  472.513  182.342 -81.95605 247.8064 
1 1 1   26   13   17 o  433.017  150.484   2.7915   2.4971   4.6813   3.2337  -0.0000   3.9302  535.577  170.918  400.795  172.661 134.7820 242.9500 
1 1 1   26   13   19 o  821.747  114.530   11.066   2.8669   12.195   3.9085   9.7505   4.2178  850.034  152.445  748.528  181.770 101.5062 237.2335 
1 1 1   26   13   21 o  522.818  147.338   4.6715   2.5155   7.0785   3.4519   1.9458   3.6733  635.981  170.050  437.441  175.648 198.5395 244.4781 
1 1 1   26   13   23 o  372.975  143.024   1.7424   2.3409   3.8553   3.2777  -0.4575   3.3445  489.213  172.260  351.741  155.220 137.4715 231.8764 
1 1 1   26   13   25 o  866.304  155.181   13.203   4.0549   12.785   4.4942   15.030   9.4033  839.058  176.643  823.452  291.576 15.60657 340.9094 
1 1 1   26   13   27 o  570.629  178.529   6.0326   3.5437   3.3746   3.8228   22.272   9.4488  472.167  182.322  978.663  288.626 -506.4968 341.3888 
1 1 1   26   13   29 f  613.140  197.944   7.4504   4.3277   7.4504   4.3277   0.0000   0.0000  613.140  197.944  ?   ?  0.000000 197.9443 
1 1 1   26   13   31 o  409.199  166.200   2.2192   3.3297   4.7256   4.0345  -3.1352   5.8968  504.629  189.063  388.804  183.777 115.8243 263.6644 
1 1 1   26   13   33 o  492.774  156.844   4.6897   2.7245   1.3652   4.1954   7.1140   3.5827  403.086  175.975  588.236  178.726 -185.1494 250.8189 
1 1 1   26   13   35 o  292.312  131.262  -0.2462   2.5008   2.9077   3.5927  -3.2106   3.4831  418.731  171.643  282.999  135.827 135.7315 218.8839 
1 1 1   26   14    0 o  1061.63  111.030   18.065   3.6363   10.559   6.2884   21.835   4.4570  790.599  236.019  1165.12  124.075 -374.5252 266.6450 
1 1 1   26   14    2 o  1070.93  106.822   18.352   3.5343   12.763   6.1948   21.049   4.3035  863.409  226.366  1144.12  122.005 -280.7164 257.1511 
1 1 1   26   14    4 o  584.662  146.729   5.6892   2.6820   10.576   5.3047   4.0112   3.1085  788.794  210.759  508.433  167.980 280.3612 269.5121 
1 1 1   26   14    6 o  911.568  120.418   13.440   3.3530   19.224   5.7113   10.399   4.1419  1077.04  175.384  787.368  172.747 289.6760 246.1728 
1 1 1   26   14    8 o  1594.37   89.597   40.294   4.4549   34.916   6.3026   45.663   6.2976  1470.98  138.464  1689.70  119.805 -218.7203 183.1000 
1 1 1   26   14   10 o  427.233  161.113   2.2163   2.9393  -0.0000   5.6894   3.0232   3.4330  482.458  207.790  476.607  175.184 5.851379 271.7834 
1 1 1   26   14   12 o  288.994  133.746  -2.2824   2.8609   0.0000   0.0000  -2.2824   2.8609  ?   ?   288.994  133.746 0.000000 133.7463 
1 1 1   26   14   14 o  1294.61  131.141   27.145   5.2428   18.078   8.2875   33.195   6.7695  1007.54  260.699  1424.33  154.249 -416.7957 302.9132 
1 1 1   26   14   16 o  453.670  156.562   3.0988   2.7007   7.9380   3.9335  -1.2166   3.7145  681.152  181.245  361.616  161.346 319.5360 242.6567 
1 1 1   26   14   18 f  396.273  148.706   2.0076   2.4979   1.2451   3.2393   3.1262   3.9231  401.101  163.533  489.355  185.747 -88.25400 247.4777 
1 1 1   26   14   20 o  492.131  151.850   4.0516   2.5738   6.4585   3.5384   1.3474   3.7506  609.496  175.738  423.573  174.703 185.9229 247.8003 
1 1 1   26   14   22 o  448.962  150.873   3.2610   2.5055   1.1599   3.4064   5.7375   3.6981  400.023  165.867  573.910  182.740 -173.8870 246.7910 
1 1 1   26   14   24 o  477.918  152.835   3.8904   2.5846   4.2009   3.4874   3.5120   3.8498  504.297  177.674  486.567  184.169 17.73062 255.9030 
1 1 1   26   14   26 o  824.673  116.600   11.472   2.9269   10.839   4.0907   12.136   4.1898  769.537  173.863  818.606  169.053 -49.06873 242.5026 
1 1 1   26   14   28 f  731.803  172.066   9.9849   3.8765   9.9849   3.8765   0.0000   0.0000  731.803  172.066  ?   ?  0.000000 172.0658 
1 1 1   26   14   30 o  426.609  203.398  -4.5092   7.5359  -4.5092   7.5359   0.0000   0.0000  426.609  203.398  ?   ?  0.000000 203.3985 
1 1 1   26   14   32 o  457.006  184.894   3.2825   4.1036   3.2825   4.1036   0.0000   0.0000  457.006  184.894  ?   ?  0.000000 184.8939 
1 1 1   26   15    1 o  1385.55   89.471   30.421   3.8609   30.109   5.4769   30.729   5.4437  1369.55  129.242  1384.26  127.007 -14.71057 181.2022 
1 1 1   26   15    3 o  499.239  148.648   4.0460   2.4968   4.3935   3.7874   3.7789   3.3206  540.773  185.474  504.393  173.630 36.38016 254.0627 
1 1 1   26   15    5 o  410.615  143.457   2.4157   2.2708   1.5321   3.5548   3.0247   2.9515  430.900  172.873  461.776  163.370 -30.87625 237.8550 
1 1 1   26   15    7 o  468.752  146.861   3.4954   2.3971   1.6208   3.7054   4.8446   3.1435  440.185  176.533  546.843  167.665 -106.6578 243.4651 
1 1 1   26   15    9 o  441.541  145.170   3.0062   2.3226   3.7329   3.2140   2.2118   3.3603  498.876  170.863  444.755  171.162 54.12158 241.8483 
1 1 1   26   15   11 o  887.237  123.916   12.783   3.3486   24.015   6.8007   9.1883   3.8474  1200.76  186.960  739.190  169.796 461.5698 252.5563 
1 1 1   26   15   13 o  495.042  177.931   3.4746   3.5142   0.0000   0.0000   3.4746   3.5142  ?   ?   495.042  177.931 0.000000 177.9310 
1 1 1   26   15   15 o  258.887  121.406  -2.4485   2.4845  -3.0352   6.0984  -2.3317   2.7205  440.140  200.554  277.664  129.163 162.4756 238.5479 
1 1 1   26   15   17 o  225.415  108.519  -3.3208   2.2638   7.6683   6.5082  -4.8334   2.4146  684.357  242.545  212.753  104.537 471.6030 264.1132 
1 1 1   26   15   19 o  673.202  140.277   7.6833   2.8610   8.0067   3.8700   7.2934   4.2488  676.550  179.659  646.179  194.253 30.37115 264.5969 
1 1 1   26   15   21 o  297.764  129.312  -0.1641   2.2404   0.0034   3.0602  -0.3576   3.2890  351.034  151.787  353.567  155.043 -2.533356 216.9737 
1 1 1   26   15   23 o  382.054  147.172   1.8155   2.4862   5.4106   3.4067  -2.2816   3.6367  556.231  175.209  327.792  151.383 228.4381 231.5488 
1 1 1   26   15   25 o  262.932  120.799  -1.3949   2.2737  -0.1026   2.9043  -3.4411   3.6546  335.452  146.431  306.276  144.741 29.17615 205.8932 
1 1 1   26   15   27 o  614.716  144.662   6.7198   2.7381   9.1921   3.6107   3.3742   4.2004  709.981  165.477  482.798  189.777 227.1827 251.7890 
1 1 1   26   15   29 o  443.902  178.562   2.6235   3.8036   2.6235   3.8036   0.0000   0.0000  443.902  178.562  ?   ?  0.000000 178.5618 
1 1 1   26   15   31 o  292.928  135.290  -1.5365   2.9053  -3.5748   3.0795   14.964   8.7618  265.770  127.599  758.957  279.734 -493.1878 307.4618 
1 1 1   26   16    0 o  1093.58   97.964   19.036   3.3190   18.686   4.4983   19.454   4.9172  1075.11  136.716  1094.65  147.188 -19.54199 200.8864 
1 1 1   26   16    2 o  710.367  131.003   8.2695   2.8066   7.5414   3.8160   9.1275   4.1423  672.254  178.346  738.177  180.675 -65.92303 253.8716 
1 1 1   26   16    4 o  321.287  137.978  -0.1224   2.4951   2.0652   3.7228  -1.9063   3.3618  455.840  178.829  329.681  149.712 126.1592 233.2242 
1 1 1   26   16    6 o  365.249  151.381   0.6100   2.8356  -0.2042   4.5864   1.1138   3.6077  432.399  186.395  420.689  172.172 11.71045 253.7448 
1 1 1   26   16    8 o  727.207  129.038   8.6643   2.8307   10.206   3.8743   6.8991   4.1459  782.648  163.369  645.606  191.392 137.0419 251.6354 
1 1 1   26   16   10 o  356.685  142.651   1.0523   2.4123   2.2852   3.5769   0.0238   3.2670  455.689  176.249  370.645  158.494 85.04456 237.0322 
1 1 1   26   16   12 o  269.499  120.334  -0.8096   2.0703  -1.3679   3.2153  -0.4142   2.7058  331.349  148.812  324.644  141.536 6.705658 205.3712 
1 1 1   26   16   14 o  581.763  180.026   5.6066   3.6146   3.8464   7.7689   6.0929   4.0835  624.109  253.720  606.782  191.900 17.32690 318.1187 
1 1 1   26   16   16 o  508.373  176.290   3.9801   3.4261   3.5599   7.9330   4.0765   3.7987  615.915  254.062  520.924  185.229 94.99152 314.4157 
1 1 1   26   16   18 o  486.962  176.395   3.4832   3.4624  -0.0000   8.3142   4.2140   3.8083  556.251  245.138  523.044  185.519 33.20667 307.4250 
1 1 1   26   16   20 o  460.026  155.719   3.3713   2.6692   7.0982   3.9330   0.1889   3.6343  635.375  185.880  385.949  166.150 249.4257 249.3130 
1 1 1   26   16   22 o  334.086  137.438   0.7767   2.3138   3.4387   3.3418  -1.6744   3.2068  476.194  173.174  317.411  144.941 158.7829 225.8254 
1 1 1   26   16   24 o  428.850  148.727   2.9197   2.4386   5.1260   3.5695   0.9888   3.3393  543.692  180.023  389.445  163.079 154.2471 242.9053 
1 1 1   26   16   26 o  447.429  150.367   3.3390   2.4887   2.0388   3.7991   4.3165   3.2938  434.919  177.186  502.931  172.941 -68.01263 247.5955 
1 1 1   26   16   28 f  482.042  171.699   3.9291   3.2653   3.8328   3.4393   4.8095   10.398  481.128  175.573  616.024  272.673 -134.8963 324.3096 
1 1 1   26   16   30 o  564.856  146.768   5.8113   2.6195   10.264   3.7258   1.4589   3.6836  743.181  164.458  404.647  170.457 338.5341 236.8593 
1 1 1   26   17    1 o  445.137  153.294   2.8944   2.5884  -1.3453   3.5864   7.5041   3.7395  355.616  158.614  671.201  175.828 -315.5854 236.7992 
1 1 1   26   17    3 o  621.863  150.832   6.4193   2.9069   4.6878   3.8811   8.6318   4.3872  555.500  187.772  718.185  191.561 -162.6846 268.2418 
1 1 1   26   17    5 o  407.577  152.595   2.0238   2.6272   0.3414   3.6084   3.9218   3.8327  398.696  168.370  524.657  186.110 -125.9617 250.9686 
1 1 1   26   17    7 o  552.232  169.428   4.9378   3.2094   6.2244   4.2667   3.2613   4.8704  620.574  196.147  534.211  205.929 86.36316 284.3954 
1 1 1   26   17    9 o  560.065  163.370   5.1691   3.0420   4.8741   3.8911   5.6330   4.8786  560.440  188.022  608.066  210.393 -47.62549 282.1660 
1 1 1   26   17   11 o  621.045  154.123   6.4707   2.9830   4.5929   3.7445   9.7326   4.9350  544.647  184.436  754.421  204.007 -209.7737 275.0190 
1 1 1   26   17   13 o  184.699   92.177  -5.6989   2.1705  -7.2285   2.7065  -2.9423   3.6333  204.607  102.237  322.624  149.807 -118.0172 181.3687 
1 1 1   26   17   15 o  864.145  131.358   12.313   3.4424   4.2748   4.4003   24.992   5.5266  543.375  198.546  1231.49  146.175 -688.1148 246.5517 
1 1 1   26   17   17 f  1238.60  132.906   25.193   5.0740   4.1407   10.204   32.108   5.8484  672.217  283.463  1398.72  135.219 -726.5079 314.0630 
1 1 1   26   17   19 o  638.358  184.545   7.1163   3.8973   1.6190   9.0503   8.3678   4.3182  597.765  259.748  688.308  192.716 -90.54297 323.4323 
1 1 1   26   17   21 o  492.900  196.869   2.7973   4.5878   0.0000   0.0000   2.7973   4.5878  ?   ?   492.900  196.869 0.000000 196.8692 
1 1 1   26   17   23 o  462.565  157.686   3.4636   2.7372   4.1670   3.8039   2.7082   3.9419  512.764  185.020  466.719  183.721 46.04556 260.7408 
1 1 1   26   17   25 o  737.895  145.121   9.4550   3.2336   5.7497   4.1674   15.061   5.1260  571.845  194.568  911.122  185.967 -339.2768 269.1476 
1 1 1   26   17   27 o  695.752  182.510   8.9851   4.0256   8.4461   4.3342   12.371   10.863  669.150  194.950  755.003  302.447 -85.85297 359.8328 
1 1 1   26   17   29 o  402.288  150.265   2.4145   2.5448   0.4614   3.3436   5.1034   3.9231  367.622  158.809  533.038  188.377 -165.4164 246.3865 
1 1 1   26   18    0 o  325.062  147.965  -1.9922   3.3087  -1.9922   3.3087   0.0000   0.0000  325.062  147.965  ?   ?  0.000000 147.9653 
1 1 1   26   18    2 o  1047.94  151.874   17.881   4.8383   17.881   4.8383   0.0000   0.0000  1047.94  151.874  ?   ?  0.000000 151.8745 
1 1 1   26   18    4 o  655.492  190.954   7.1081   4.1585   7.1081   4.1585   0.0000   0.0000  655.492  190.954  ?   ?  0.000000 190.9541 
1 1 1   26   18    6 o  756.185  163.775   9.5382   3.7656   4.6598   5.0154   15.842   5.7010  580.948  212.015  971.273  194.241 -390.3251 287.5411 
1 1 1   26   18    8 o  1440.85  113.980   33.199   5.1004   28.313   6.6285   40.291   7.9857  1314.60  164.640  1571.37  164.750 -256.7662 232.9139 
1 1 1   26   18   10 o  757.943  151.117   9.5741   3.4606   10.020   4.9964   9.1629   4.7978  765.050  204.598  732.997  202.380 32.05280 287.7813 
1 1 1   26   18   12 o  792.696  131.779   10.351   3.1561   8.4318   4.2233   12.778   4.7496  702.323  188.223  867.141  180.782 -164.8184 260.9792 
1 1 1   26   18   14 o  455.406  168.118   2.8063   3.1669   2.0149   4.4776   3.5985   4.4798  477.269  193.120  524.317  198.617 -47.04788 277.0270 
1 1 1   26   18   16 f  456.667  166.713   2.9302   3.1014  -1.9767   4.4844   7.4293   4.2940  383.395  173.631  656.482  194.818 -273.0875 260.9632 
1 1 1   26   18   18 o  740.196  138.984   9.2149   3.1030   7.1447   4.1038   11.979   4.7416  641.654  190.462  827.462  187.359 -185.8075 267.1690 
1 1 1   26   18   20 o  364.642  161.156  -0.6655   3.6185 -23.0941   9.6226   3.0284   3.9051  382.508  191.375  481.276  184.687 -98.76794 265.9577 
1 1 1   26   18   22 o  566.624  194.107   5.3935   4.1479  -7.2616   11.264   7.3789   4.4614  537.410  254.012  643.636  200.144 -106.2261 323.3879 
1 1 1   26   18   24 o  734.737  270.612   10.240   8.1976   5.2168   11.261   15.904   11.957  672.890  291.061  858.481  324.659 -185.5906 436.0273 
1 1 1   26   18   26 o  240.162  116.921  -4.6089   2.8202  -5.5375   2.9065   10.349   11.665  233.170  114.593  739.056  306.735 -505.8859 327.4412 
1 1 1   26   18   28 o  585.072  161.285   6.1974   3.0499   9.5949   3.9407   1.1225   4.8162  721.055  176.066  443.146  191.019 277.9088 259.7836 
1 1 1   26   19    1 o  590.045  193.763   5.4494   4.1383   5.4494   4.1383   0.0000   0.0000  590.045  193.763  ?   ?  0.000000 193.7626 
1 1 1   26   19    3 o  811.261  165.702   10.942   4.0670   11.367   4.4325   8.6770   10.227  824.703  176.947  794.981  300.351 29.72150 348.5988 
1 1 1   26   19    5 f  429.920  184.541  -0.0273   4.4593   1.6116   5.0032  -6.3603   9.8349  493.382  202.434  540.335  249.332 -46.95380 321.1635 
1 1 1   26   19    7 o  823.094  205.960   11.564   5.2953   11.564   5.2953   0.0000   0.0000  823.094  205.960  ?   ?  0.000000 205.9602 
1 1 1   26   19    9 o  887.429  189.217   13.363   5.0973   12.098   5.8500   17.354   10.388  836.839  220.251  983.385  305.342 -146.5457 376.4898 
1 1 1   26   19   11 o  811.861  195.654   11.321   4.9152   9.6947   5.7400   15.791   9.5171  751.091  225.783  936.815  292.485 -185.7242 369.4930 
1 1 1   26   19   13 o  652.497  207.629   7.1372   4.7747   2.8275   5.3973   22.650   10.240  531.705  213.120  1105.19  291.649 -573.4888 361.2195 
1 1 1   26   19   15 o  446.596  189.803   0.6204   4.6334   0.6204   4.6334   0.0000   0.0000  446.596  189.803  ?   ?  0.000000 189.8031 
1 1 1   26   19   17 o  482.448  180.587   3.1497   3.6792   5.1719   3.9984  -8.0214   9.3977  564.704  190.589  491.670  232.278 73.03424 300.4616 
1 1 1   26   19   19 o  413.678  171.375   1.1314   3.6317   0.3059   3.8826   6.9059   10.269  402.567  172.480  715.251  291.339 -312.6838 338.5673 
1 1 1   26   19   21 o  679.788  187.784   8.1813   4.1295   6.9748   4.4486   15.695   11.102  631.842  200.347  886.581  316.512 -254.7393 374.5916 
1 1 1   26   19   23 o  699.129  266.378   8.4008   8.0875   21.644   11.456  -4.7554   11.419  1002.20  321.905  564.093  263.141 438.1030 415.7721 
1 1 1   26   19   25 o  713.631  271.658   9.4051   8.4065  -9.1134   11.962   27.473   11.816  528.735  253.224  1110.86  321.389 -582.1278 409.1619 
1 1 1   26   20    0 o  648.062  187.514   6.9542   4.0222   4.8537   4.3522   19.249   10.529  571.908  198.671  1048.35  303.409 -476.4396 362.6667 
1 1 1   26   20    2 o  614.410  189.815   6.1462   4.0202   5.4700   4.3403   10.231   10.667  593.314  198.579  833.309  308.362 -239.9948 366.7706 
1 1 1   26   20    4 f  550.496  179.555   4.7792   3.5559   4.7792   3.5559   0.0000   0.0000  550.496  179.555  ?   ?  0.000000 179.5546 
1 1 1   26   20    6 o  1014.72  148.867   16.871   4.5894   21.363   5.0150  -6.2700   11.383  1145.90  142.872  587.017  269.912 558.8821 305.3934 
1 1 1   26   20    8 o  612.500  199.670   6.0500   4.3974   3.0580   4.9140   18.078   9.8529  526.579  205.769  1003.83  294.361 -477.2525 359.1502 
1 1 1   26   20   10 o  479.530  202.710   0.8053   5.2389   4.4766   6.0343 -10.4317   10.557  596.698  229.437  515.138  244.203 81.55957 335.0764 
1 1 1   26   20   12 o  1098.34  179.188   20.277   5.9501   20.277   5.9501   0.0000   0.0000  1098.34  179.188  ?   ?  0.000000 179.1884 
1 1 1   26   20   14 o  586.696  216.028   4.9792   5.2236   4.9792   5.2236   0.0000   0.0000  586.696  216.028  ?   ?  0.000000 216.0277 
1 1 1   26   20   16 o  618.666  226.317   5.7913   5.7197   12.103   6.6668 -11.8101   11.133  821.817  242.461  512.025  244.976 309.7916 344.6746 
1 1 1   26   20   18 f  487.512  197.681   2.2178   4.7023   2.2178   4.7023   0.0000   0.0000  487.512  197.681  ?   ?  0.000000 197.6812 
1 1 1   26   20   20 o  835.365  177.517   12.123   4.5002   11.891   4.8712   13.477   11.756  820.905  192.793  853.632  322.139 -32.72693 375.4231 
1 1 1   26   20   22 o  358.616  161.471  -1.3623   3.8137  -1.3623   3.8137   0.0000   0.0000  358.616  161.471  ?   ?  0.000000 161.4713 
1 1 1   26   20   24 o  429.509  179.054   1.3200   4.0002   1.4864   4.2447  -0.0001   11.958  443.348  184.602  624.899  283.222 -181.5513 338.0724 
1 1 1   26   21    1 f  903.641  171.140   13.575   4.6652   15.508   5.0642   2.7416   11.990  966.611  173.702  724.509  306.492 242.1019 352.2924 
1 1 1   26   21    3 o  737.365  169.427   9.1157   3.8297   8.0826   4.0601   17.453   11.534  693.251  183.982  998.753  323.220 -305.5023 371.9144 
1 1 1   26   21    5 o  1238.31  131.556   24.756   5.0229   24.189   5.5751   27.202   11.576  1218.68  149.216  1230.84  302.503 -12.16675 337.3028 
1 1 1   26   21    7 o  1175.97  147.810   22.566   5.3225   24.092   5.8847   15.705   12.479  1211.97  158.893  957.287  336.186 254.6791 371.8440 
1 1 1   26   21    9 o  507.212  186.214   3.5050   3.8772   3.5050   3.8772   0.0000   0.0000  507.212  186.214  ?   ?  0.000000 186.2135 
1 1 1   26   21   11 o  429.261  165.659   2.0756   3.1545   1.7934   3.3137   4.8038   10.303  426.080  168.216  705.597  290.114 -279.5173 335.3551 
1 1 1   26   21   13 o  850.193  227.764   12.692   6.1856   12.692   6.1856   0.0000   0.0000  850.193  227.764  ?   ?  0.000000 227.7642 
1 1 1   26   21   15 o  790.230  215.155   10.936   5.4671   15.340   6.1502  -5.6485   11.935  936.062  214.435  595.971  274.887 340.0910 348.6335 
1 1 1   26   21   17 o  514.433  207.329   2.5964   5.1385   1.9576   5.7299   5.2201   11.613  518.294  215.033  723.870  303.675 -205.5762 372.0985 
1 1 1   26   21   19 o  501.939  210.133   1.6351   5.5423   6.6122   6.2595 -16.4284   11.925  647.961  236.797  495.381  241.003 152.5810 337.8687 
1 1 1   26   21   21 o  485.494  196.543   2.3215   4.6402   1.0565   5.0158   9.8307   12.221  467.093  197.949  789.534  319.194 -322.4413 375.5915 
1 1 1   26   22    0 o  804.561  188.046   10.904   4.6523   10.580   5.0233   12.856   12.335  790.612  202.131  909.125  332.388 -118.5135 389.0228 
1 1 1   26   22    2 o  476.013  186.982   2.2875   4.0749   0.3393   4.3757   15.014   11.184  434.888  184.627  942.296  318.748 -507.4077 368.3581 
1 1 1   26   22    4 o  662.139  193.176   7.3116   4.2530   5.3503   4.5239   22.231   12.477  591.388  202.713  1109.13  332.766 -517.7434 389.6484 
1 1 1   26   22    6 o  864.462  172.350   12.505   4.5016   15.287   4.7852  -8.9017   13.273  960.299  165.090  613.797  285.446 346.5027 329.7487 
1 1 1   26   22    8 o  718.331  179.440   8.7279   4.0243   9.1894   4.2388   4.5108   12.814  736.324  184.285  760.865  319.078 -24.54193 368.4714 
1 1 1   26   22   10 o  1333.62  129.156   28.728   5.3258   28.081   5.7809   32.360   13.695  1313.93  142.810  1317.82  332.022 -3.893921 361.4327 
1 1 1   26   22   12 f  248.012  120.487  -4.9762   2.9526  -5.2119   3.0440  -1.2284   12.138  250.589  121.878  659.706  293.177 -409.1180 317.5005 
1 1 1   26   22   14 o  253.792  121.486  -3.6968   2.7456  -3.5040   2.8310  -6.7506   11.268  262.829  125.133  569.802  264.314 -306.9728 292.4381 
1 1 1   26   22   16 o  607.297  215.527   5.6955   5.1407   5.0803   5.6381   8.7278   12.517  598.985  223.681  802.761  323.568 -203.7761 393.3564 
1 1 1   26   22   18 o  387.100  175.640  -2.1395   4.6147  -2.3099   4.9877  -1.1262   12.162  401.468  182.329  647.684  290.253 -246.2162 342.7695 
1 1 1   26   22   20 o  552.521  222.033   3.3424   5.8746   3.4973   6.6395   2.7839   12.607  576.852  234.536  698.997  305.109 -122.1447 384.8361 
1 1 1   26   23    1 o  548.519  202.443   4.0056   4.5916   1.2770   4.8608   26.612   13.991  479.703  198.458  1209.89  349.627 -730.1918 402.0255 
1 1 1   26   23    3 o  1033.21  161.267   17.551   5.0470   19.889   5.3589  -0.7946   15.011  1101.57  160.046  747.042  329.296 354.5331 366.1292 
1 1 1   26   23    5 o  685.060  177.486   7.8871   3.8380   7.7996   3.9808   9.0412   14.460  681.312  182.801  867.598  348.454 -186.2862 393.4928 
1 1 1   26   23    7 o  874.791  175.570   12.820   4.6420   13.969   4.8924   2.4496   14.700  913.510  177.431  775.144  333.922 138.3662 378.1345 
1 1 1   26   23    9 o  662.003  186.762   7.3673   4.0395   7.2014   4.2204   9.1793   13.951  656.085  192.727  854.796  342.630 -198.7114 393.1146 
1 1 1   26   23   11 o  627.990  189.016   6.5646   4.0209   7.9949   4.2066  -8.5742   13.686  687.036  189.424  623.718  289.992 63.31793 346.3770 
1 1 1   26   23   13 o  388.877  163.070   0.5658   3.3464   0.2400   3.4649   5.0870   12.908  385.696  164.032  764.120  320.336 -378.4238 359.8911 
1 1 1   26   23   15 o  365.722  160.337  -0.6035   3.5156  -1.4113   3.6525   9.5725   12.963  354.403  158.925  830.408  331.165 -476.0046 367.3250 
1 1 1   26   23   17 o  310.710  143.874  -2.5559   3.3171  -3.2343   3.4325   7.0338   12.905  304.999  142.925  781.135  323.284 -476.1360 353.4689 
1 1 1   26   24    0 o  709.585  280.134   5.5710   9.1895   12.360   11.627  -5.7299   15.001  893.327  323.293  696.752  316.345 196.5748 452.3186 
1 1 1   26   24    2 o  1000.79  162.933   16.478   4.9302   13.597   5.1695   45.445   16.395  900.210  189.394  1590.64  339.502 -690.4340 388.7566 
1 1 1   26   24    4 o  676.813  194.323   7.6416   4.3346   8.2999   4.5038  -0.6283   15.963  703.481  196.761  771.307  339.806 -67.82593 392.6615 
1 1 1   26   24    6 o  1115.45  172.042   20.527   5.8157   20.110   6.3169   22.846   14.898  1097.76  190.693  1124.68  367.560 -26.92249 414.0825 
1 1 1   26   24    8 o  567.308  195.557   4.8714   4.2129   6.9259   4.4338 -14.2200   13.516  648.200  199.189  575.264  273.755 72.93555 338.5534 
1 1 1   26   24   10 o  423.812  174.878   1.0317   3.7601   2.6036   3.8964 -20.2661   14.342  478.102  184.222  552.156  267.618 -74.05359 324.8959 
1 1 1   26   24   12 f  651.457  206.261   6.9940   4.7165   9.9087   5.0068 -15.9769   14.056  761.229  205.333  572.290  274.190 188.9395 342.5517 
1 1 1   26   24   14 o  330.626  148.881  -1.4553   3.2429  -3.2203   3.3416   27.111   13.443  300.820  140.984  1196.09  341.848 -895.2671 369.7794 
1 1 1   26   25    1 o  761.835  341.687  -3.8828   16.891   0.0000   0.0000  -3.8828   16.891  ?   ?   761.835  341.687 0.000000 341.6873 
1 1 1   26   25    3 o  698.052  315.625  -5.0467   14.749   0.0000   0.0000  -5.0467   14.749  ?   ?   698.052  315.625 0.000000 315.6246 
1 1 1   26   25    5 o  417.861  178.989   0.0000   4.1794   0.0000   4.1794   0.0000   0.0000  417.861  178.989  ?   ?  0.000000 178.9892 
1 1 1   26   25    7 o  602.162  200.471   5.6785   4.4242   5.0238   4.6206   12.893   15.338  582.953  204.581  945.872  365.212 -362.9185 418.6088 
1 1 1   26   25    9 f  534.139  200.375   3.6423   4.5345   2.7477   4.7697   12.047   14.619  514.845  202.276  918.402  356.009 -403.5574 409.4603 
1 1 1   26   26    0 o  604.631  208.055   5.4915   4.7676   2.9118   4.9773   34.189   16.601  529.578  207.048  1371.28  375.569 -841.7008 428.8601 
1 1 1   26   26    2 o  655.662  211.045   6.8767   4.9223   7.7198   5.2153   0.0000   14.894  689.234  216.734  761.420  332.013 -72.18591 396.4925 
1 1 1   26   26    4 f  589.159  264.498  -3.4522   10.148 -12.0993   13.434   8.0387   15.486  596.043  280.406  879.912  358.020 -283.8693 454.7592 
1 1 1   27    0    3 o  208.055  144.532  -2.7873   3.3124  -2.7873   3.3124  -2.7873   3.3124  208.055  144.532  208.055  144.532 -0.000000 0.000000 
1 1 1   27    0    5 f  262.618  175.455  -1.1686   3.9643  -1.1686   3.9643  -1.1686   3.9643  262.618  175.455  262.618  175.455 -0.000000 0.000000 
1 1 1   27    0    7 o  297.464  191.135   0.2918   4.0652   0.2918   4.0652   0.2918   4.0652  297.464  191.135  297.464  191.135 -0.000000 0.000000 
1 1 1   27    0    9 o  427.662  236.148   4.2300   4.6095   4.2300   4.6095   4.2300   4.6095  427.662  236.148  427.662  236.148 -0.000000 0.000000 
1 1 1   27    0   11 f  449.023  238.785   4.8133   4.5391   4.8133   4.5391   4.8133   4.5391  449.023  238.785  449.023  238.785 -0.000000 0.000000 
1 1 1   27    0   13 o  2012.71  177.014   66.554   10.957   66.554   10.957   66.554   10.957  2012.71  177.014  2012.71  177.014 -0.000000 0.000000 
1 1 1   27    0   15 o  293.401  194.150  -0.8762   4.6621  -0.8762   4.6621  -0.8762   4.6621  293.401  194.150  293.401  194.150 -0.000000 0.000000 
1 1 1   27    0   17 o  267.465  180.808  -1.9069   4.4435  -1.9069   4.4435  -1.9069   4.4435  267.465  180.808  267.465  180.808 -0.000000 0.000000 
1 1 1   27    0   19 f  394.988  239.730   2.6498   5.5094   2.6498   5.5094   2.6498   5.5094  394.988  239.730  394.988  239.730 -0.000000 0.000000 
1 1 1   27    0   21 f  357.128  226.670   1.0317   5.5075   1.0317   5.5075   1.0317   5.5075  357.128  226.670  357.128  226.670 -0.000000 0.000000 
1 1 1   27    0   23 o  361.787  211.473   2.6464   3.9944   2.6464   3.9944   2.6464   3.9944  361.787  211.473  361.787  211.473 -0.000000 0.000000 
1 1 1   27    0   25 o  955.202  222.738   16.989   5.7923   16.989   5.7923   16.989   5.7923  955.202  222.738  955.202  222.738 -0.000000 0.000000 
1 1 1   27    0   27 o  325.849  203.282   1.3455   4.2270   1.3455   4.2270   1.3455   4.2270  325.849  203.282  325.849  203.282 -0.000000 0.000000 
1 1 1   27    0   29 o  275.792  182.496  -0.6119   4.1192  -0.6119   4.1192  -0.6119   4.1192  275.792  182.496  275.792  182.496 -0.000000 0.000000 
1 1 1   27    0   31 o  433.534  240.156   4.6949   4.7845   4.6949   4.7845   4.6949   4.7845  433.534  240.156  433.534  240.156 -0.000000 0.000000 
1 1 1   27    0   33 o  675.914  270.381   10.912   5.5504   10.912   5.5504   10.912   5.5504  675.914  270.381  675.914  270.381 -0.000000 0.000000 
1 1 1   27    0   35 o  380.674  233.873   2.8026   5.3897   2.8026   5.3897   2.8026   5.3897  380.674  233.873  380.674  233.873 -0.000000 0.000000 
1 1 1   27    0   37 o  497.135  268.274   6.7758   5.8092   6.7758   5.8092   6.7758   5.8092  497.135  268.274  497.135  268.274 -0.000000 0.000000 
1 1 1   27    1    0 o  1822.15  166.145   55.430   9.3754   55.430   9.3754   0.0000   0.0000  1822.15  166.145  ?   ?  0.000000 166.1448 
1 1 1   27    1    2 o  1075.56  178.578   19.727   5.8033   0.0000   0.0000   19.727   5.8033  ?   ?   1075.56  178.578 0.000000 178.5782 
1 1 1   27    1    4 o  657.117  159.703   7.3766   3.2539   7.6361   4.4003   7.0635   4.8335  664.881  197.193  645.812  209.266 19.06982 287.5365 
1 1 1   27    1    6 o  497.796  169.145   3.8778   3.1494   3.5133   4.4554   4.2419   4.4525  519.317  197.749  542.685  199.503 -23.36804 280.9024 
1 1 1   27    1    8 o  989.710  135.163   16.133   4.0792   14.567   5.7376   17.733   5.8007  912.422  205.736  1016.39  189.227 -103.9694 279.5254 
1 1 1   27    1   10 o  444.124  165.155   2.6273   3.0673   2.3296   4.4363   2.9000   4.2457  483.310  193.396  493.813  191.734 -10.50351 272.3307 
1 1 1   27    1   12 f  711.211  118.227   8.3393   2.5405   10.945   3.1178   3.1919   4.3824  814.484  126.341  506.527  195.317 307.9577 232.6176 
1 1 1   27    1   14 o  669.905  132.315   7.5192   2.6770   8.3639   3.3860   6.1111   4.3719  699.653  158.262  605.031  199.180 94.62238 254.4005 
1 1 1   27    1   16 o  651.455  131.827   7.1339   2.5968   6.0975   3.2690   8.9065   4.2750  595.894  167.971  712.659  188.624 -116.7648 252.5737 
1 1 1   27    1   18 o  1151.30   99.897   21.408   3.5656   21.460   4.1516   21.264   6.9611  1146.15  117.334  1093.53  210.939 52.61304 241.3760 
1 1 1   27    1   20 o  883.531  112.684   12.808   3.0465   12.651   3.5559   13.241   5.9067  869.697  134.951  851.649  219.957 18.04846 258.0557 
1 1 1   27    1   22 o  473.584  150.634   3.7242   2.5133   2.8252   2.8141   7.2686   5.5876  438.724  159.009  647.491  225.098 -208.7674 275.5956 
1 1 1   27    1   24 o  788.416  125.690   10.460   2.9987   9.0634   3.4056   15.280   6.3264  720.261  155.556  897.970  225.356 -177.7087 273.8299 
1 1 1   27    1   26 o  855.660  126.786   12.469   3.2942   15.198   3.8097   4.3844   6.5577  942.621  132.751  561.295  231.198 381.3259 266.5999 
1 1 1   27    1   28 o  530.113  165.390   5.2219   3.0437   5.7709   3.5373   3.6562   5.9736  551.942  179.039  514.740  216.963 37.20172 281.2969 
1 1 1   27    1   30 f  932.237  120.913   15.276   3.4464   17.248   4.2213   11.332   5.9682  971.242  143.092  693.080  232.857 278.1630 273.3093 
1 1 1   27    1   32 o  839.726  161.355   13.932   4.0885   3.8756   5.8715   23.397   5.6964  476.832  208.174  1073.39  175.555 -596.5546 272.3161 
1 1 1   27    1   34 o  817.744  180.789   14.622   4.5062   21.505   6.5284   8.3585   6.2276  916.073  228.387  544.772  224.946 371.3018 320.5642 
1 1 1   27    1   36 o  376.607  156.129   2.5345   3.0174  -0.3521   4.0107   6.2987   4.5801  333.610  155.734  487.029  195.931 -153.4197 250.2841 
1 1 1   27    1   38 o  370.953  164.585   2.5150   3.8101  -1.6159   5.6255   6.0159   5.1788  339.070  165.086  445.926  195.072 -106.8556 255.5518 
1 1 1   27    2    1 o  413.333  141.343   2.6023   2.1993   6.6487   4.4262   1.2757   2.5343  626.291  199.974  368.269  146.564 258.0222 247.9332 
1 1 1   27    2    3 o  841.266  145.259   11.841   3.6881   6.8892   4.9606   17.961   5.5149  640.904  212.223  1026.41  178.048 -385.5093 277.0189 
1 1 1   27    2    5 o  689.341  163.793   8.1191   3.4832   10.659   4.9567   5.6413   4.8958  780.335  201.473  598.523  210.555 181.8124 291.4180 
1 1 1   27    2    7 o  845.628  150.058   11.978   3.8278   11.920   5.4718   12.034   5.3568  822.988  211.260  828.138  207.113 -5.150085 295.8485 
1 1 1   27    2    9 o  695.869  125.372   8.0255   2.6313   8.0874   3.1173   7.8721   4.9075  692.259  148.279  677.390  209.791 14.86890 256.9023 
1 1 1   27    2   11 o  296.135  125.047   0.2040   1.9901  -0.5313   2.4598   1.5973   3.3860  303.643  133.593  419.885  168.625 -116.2422 215.1316 
1 1 1   27    2   13 o  860.997  107.429   12.051   2.8333   11.372   3.3929   13.614   5.1499  827.170  135.703  885.116  191.388 -57.94580 234.6163 
1 1 1   27    2   15 o  614.161  126.657   6.3201   2.3548   5.2774   2.8577   8.5262   4.1565  557.271  157.036  699.043  186.457 -141.7724 243.7760 
1 1 1   27    2   17 o  879.554  111.412   12.646   2.9996   11.104   3.7584   15.349   4.9784  808.259  154.130  944.464  174.776 -136.2050 233.0289 
1 1 1   27    2   19 o  382.659  141.240   1.9804   2.2350   0.9545   2.6987   4.2203   3.9879  363.262  148.818  525.469  189.467 -162.2072 240.9241 
1 1 1   27    2   21 o  692.183  130.035   8.0652   2.7149   11.617   3.2676   0.1466   4.8787  834.381  129.246  439.263  190.792 395.1177 230.4472 
1 1 1   27    2   23 o  1047.68  104.039   17.912   3.3679   18.656   4.1105   16.392   5.8746  1059.52  126.393  950.760  203.477 108.7573 239.5371 
1 1 1   27    2   25 o  516.053  158.031   4.6417   2.7936   3.7413   3.2318   7.3032   5.5564  481.275  170.879  633.696  224.160 -152.4210 281.8636 
1 1 1   27    2   27 o  583.338  158.193   6.2169   2.9624   6.7087   3.4410   4.8085   5.8229  599.726  173.414  548.495  220.828 51.23108 280.7801 
1 1 1   27    2   29 o  736.528  128.833   9.6232   2.8630   6.0332   3.9013   13.813   4.2146  553.192  188.255  857.794  162.869 -304.6017 248.9303 
1 1 1   27    2   31 o  530.289  153.845   5.4782   2.7042   5.2352   3.6071   5.7900   4.0862  508.608  180.536  526.908  191.510 -18.29996 263.1905 
1 1 1   27    2   33 o  1069.54  114.237   20.474   3.7666   22.187   5.0655   18.356   5.6331  1058.20  157.693  896.050  205.188 162.1461 258.7841 
1 1 1   27    2   35 o  795.154  141.335   12.518   3.3901   12.643   4.5347   12.360   5.1043  724.394  195.418  679.148  214.523 45.24554 290.1872 
1 1 1   27    2   37 o  356.278  153.641   2.0000   3.1185  -2.6406   4.1496   8.0220   4.7271  299.354  144.803  519.776  202.174 -220.4212 248.6808 
1 1 1   27    2   39 f  303.651  141.780   0.0486   3.3271   3.8603   4.3883  -5.1051   5.1026  392.273  175.172  289.153  143.823 103.1195 226.6505 
1 1 1   27    3    0 o  365.241  137.189   1.6711   2.1269   2.8013   3.8145   1.1613   2.5621  475.231  182.493  365.493  146.718 109.7383 234.1573 
1 1 1   27    3    2 o  1523.12   93.352   37.086   4.4307   36.280   7.9104   37.455   5.3484  1469.19  175.420  1523.50  112.919 -54.31506 208.6215 
1 1 1   27    3    4 o  578.197  137.860   5.6326   2.4608   6.2084   4.6102   5.4032   2.9099  613.998  204.652  565.331  158.171 48.66718 258.6514 
1 1 1   27    3    6 o  725.112  125.956   8.6979   2.7561   6.0929   5.4441   9.5957   3.1959  623.830  221.753  758.317  139.741 -134.4861 262.1110 
1 1 1   27    3    8 o  875.928   94.122   12.343   2.5410   12.161   3.7516   12.498   3.4540  854.122  145.491  871.019  130.672 -16.89722 195.5572 
1 1 1   27    3   10 o  520.867  141.771   4.5545   2.3742   2.0913   2.9598   8.9991   3.9758  419.594  160.841  723.413  176.973 -303.8190 239.1432 
1 1 1   27    3   12 o  819.089   96.315   10.834   2.4231   11.320   3.4814   10.378   3.3746  824.404  139.865  787.890  142.008 36.51459 199.3203 
1 1 1   27    3   14 o  210.589   97.574  -1.2558   1.5292   0.2428   2.0476  -3.1456   2.2994  301.063  126.969  231.053  110.753 70.01012 168.4856 
1 1 1   27    3   16 o  922.717   87.210   13.673   2.4899   17.024   3.5433   10.404   3.4994  1022.60  112.522  784.842  147.820 237.7556 185.7735 
1 1 1   27    3   18 f  227.411  105.801  -1.5718   1.8264   3.2008   2.6448  -5.9229   2.5253  453.128  154.997  206.014  102.253 247.1135 185.6874 
1 1 1   27    3   20 o  338.562  131.374   1.2675   1.9923   0.8076   3.0352   1.6157   2.6409  375.197  156.154  384.504  150.682 -9.306946 217.0002 
1 1 1   27    3   22 o  221.399  103.512  -1.6442   1.7829  -2.1477   2.3434  -0.9522   2.7473  252.839  118.358  307.964  137.985 -55.12579 181.7920 
1 1 1   27    3   24 o  841.334  101.720   11.618   2.6253   14.557   3.7342   8.7465   3.6917  929.571  131.999  701.137  169.927 228.4333 215.1724 
1 1 1   27    3   26 o  404.667  141.864   2.6012   2.2216  -2.3409   3.1371   7.5726   3.1464  295.731  137.945  649.408  156.563 -353.6766 208.6641 
1 1 1   27    3   28 o  277.184  122.397  -0.2705   2.0828  -0.7091   2.8697   0.2178   3.0278  311.376  140.148  343.161  149.662 -31.78500 205.0367 
1 1 1   27    3   30 o  546.147  159.213   5.7683   2.8900   4.2674   3.6962   8.1291   4.6355  480.101  180.751  613.291  205.223 -133.1901 273.4724 
1 1 1   27    3   32 o  360.931  147.725   1.7248   2.6562   3.3174   3.5745  -0.2388   3.9692  434.325  173.668  355.341  161.870 78.98376 237.4077 
1 1 1   27    3   34 o  361.525  152.350   1.7462   2.9444   3.8569   3.7420  -1.6846   4.7709  439.194  176.954  346.779  164.325 92.41589 241.4860 
1 1 1   27    3   36 o  321.667  146.068   0.2802   3.1998  -5.4751   3.9185   11.799   5.5436  263.593  130.209  621.009  223.449 -357.4158 258.6187 
1 1 1   27    3   38 o  753.040  213.154   16.516   5.2528   14.356   7.1149   19.105   7.7879  569.150  238.162  635.852  255.600 -66.70209 349.3602 
1 1 1   27    4    1 o  564.341  141.912   5.3775   2.5052   2.8578   5.2010   6.1387   2.8587  523.232  209.391  601.406  151.792 -78.17407 258.6223 
1 1 1   27    4    3 o  1490.02  110.375   35.737   5.1130   0.0000   0.0000   35.737   5.1130  ?   ?   1490.02  110.375 0.000000 110.3747 
1 1 1   27    4    5 o  914.875  106.166   13.541   2.9848   16.798   5.8273   12.382   3.4753  987.547  195.367  866.659  132.253 120.8878 235.9219 
1 1 1   27    4    7 o  1800.42   80.400   51.344   4.5326   57.471   6.4633   45.415   6.3581  1892.52  109.537  1676.66  121.940 215.8523 163.9138 
1 1 1   27    4    9 o  1132.17   84.694   20.440   2.9807   21.111   4.3653   19.854   4.0799  1139.03  124.419  1105.77  119.746 33.25977 172.6823 
1 1 1   27    4   11 o  798.442  113.513   10.412   2.7580   5.6519   3.3734   20.008   4.7898  579.316  172.850  1101.55  142.186 -522.2358 223.8169 
1 1 1   27    4   13 o  1045.67   87.218   17.496   2.8297   16.553   4.1220   18.336   3.8915  1002.11  134.782  1061.05  119.191 -58.94012 179.9243 
1 1 1   27    4   15 o  625.620  113.674   6.4777   2.1448   4.0819   3.0141   8.9353   3.0527  502.703  165.378  729.679  138.679 -226.9767 215.8277 
1 1 1   27    4   17 o  496.687  132.055   4.1580   2.0892   3.3077   2.9132   5.0583   2.9978  465.392  162.493  546.692  162.903 -81.30005 230.0896 
1 1 1   27    4   19 o  591.785  122.618   5.8755   2.1974   5.4030   3.0611   6.3778   3.1564  562.285  163.841  608.142  162.611 -45.85693 230.8380 
1 1 1   27    4   21 o  804.756  104.414   10.589   2.5691   7.7607   3.5601   13.662   3.7111  666.646  170.018  904.061  135.250 -237.4153 217.2527 
1 1 1   27    4   23 o  1372.39   97.233   30.484   4.1513   29.358   5.1785   32.510   6.9443  1332.30  125.616  1377.63  164.218 -45.32495 206.7534 
1 1 1   27    4   25 o  862.884  103.823   12.299   2.7489   11.261   3.8621   13.365   3.9134  797.923  160.145  878.213  147.544 -80.28986 217.7517 
1 1 1   27    4   27 o  508.486  145.939   4.6357   2.4452   4.8298   3.3696   4.4198   3.5540  517.628  174.962  502.796  179.122 14.83167 250.3927 
1 1 1   27    4   29 o  501.326  150.435   4.6716   2.5499   1.5675   3.4692   8.3188   3.7605  394.426  165.748  648.659  179.204 -254.2328 244.1033 
1 1 1   27    4   31 o  180.833   90.305  -5.0896   2.0973  -6.0705   2.8716  -3.9682   3.0703  217.827  108.273  254.977  123.639 -37.14995 164.3462 
1 1 1   27    4   33 o  608.358  167.399   7.7547   3.2890   12.751   5.9203   5.5244   3.9556  690.840  231.921  502.036  187.381 188.8041 298.1594 
1 1 1   27    4   35 o  468.919  160.388   4.7362   2.8319   10.434   4.0345  -0.7973   3.9761  668.336  185.979  331.374  154.814 336.9617 241.9829 
1 1 1   27    4   37 o  863.934  166.676   16.635   4.3455   18.411   4.9238   10.377   9.2419  879.511  184.669  494.036  232.466 385.4745 296.8890 
1 1 1   27    4   39 o  325.221  146.111   1.3065   3.1025   1.8611   4.4530   0.7833   4.3250  357.171  165.848  338.182  159.099 18.98962 229.8219 
1 1 1   27    5    0 o  613.949  132.423   6.3135   2.4709   4.2243   4.6795   7.1212   2.9096  548.676  203.999  649.420  146.563 -100.7437 251.1900 
1 1 1   27    5    2 o  519.087  150.483   4.4938   2.5882   0.7022   5.1286   5.7895   2.9980  469.265  199.569  584.983  159.348 -115.7177 255.3811 
1 1 1   27    5    4 o  1515.43  115.429   36.995   5.4361   0.0000   0.0000   36.995   5.4361  ?   ?   1515.43  115.429 0.000000 115.4288 
1 1 1   27    5    6 o  684.911  109.086   7.6700   2.2610   5.7243   3.2134   9.5779   3.1820  582.884  167.300  758.620  139.079 -175.7360 217.5597 
1 1 1   27    5    8 o  792.051   94.397   10.109   2.2950   7.4637   3.3918   12.344   3.1169  662.339  164.330  870.195  117.385 -207.8552 201.9500 
1 1 1   27    5   10 f  561.565  114.448   5.2277   1.9442   7.3010   2.8854   3.5038   2.6311  658.725  143.916  470.309  154.502 188.4160 211.1465 
1 1 1   27    5   12 o  1158.05   94.935   21.494   3.4122   21.233   4.2394   21.974   5.7499  1143.05  120.250  1145.29  165.103 -2.243530 204.2525 
1 1 1   27    5   14 o  472.330  137.840   3.7069   2.1651  -0.0690   3.1493   7.0908   2.9814  357.659  154.317  646.131  150.211 -288.4722 215.3533 
1 1 1   27    5   16 o  412.261  132.838   2.7118   1.9497   3.8955   2.7424   1.5021   2.7725  489.200  157.536  387.952  153.644 101.2485 220.0545 
1 1 1   27    5   18 o  305.170  123.449   0.7149   1.8291  -1.7579   2.4160   4.0356   2.7997  267.811  123.578  496.028  159.114 -228.2175 201.4664 
1 1 1   27    5   20 o  434.688  138.890   3.0652   2.1348   6.1801   2.8155  -1.1478   3.2744  600.450  150.144  335.555  150.473 264.8950 212.5690 
1 1 1   27    5   22 o  180.602   88.959  -3.7130   1.7845  -5.8844   2.3407  -0.6994   2.7576  193.437   96.407  315.194  139.923 -121.7575 169.9198 
1 1 1   27    5   24 o  694.846  119.397   8.1226   2.5041   4.4756   3.4684   12.094   3.6193  517.383  177.489  840.392  142.637 -323.0090 227.7008 
1 1 1   27    5   26 o  668.754  127.756   7.7285   2.5777   8.8121   3.6131   6.6051   3.6786  694.147  168.034  597.188  181.026 96.95898 246.9932 
1 1 1   27    5   28 o  816.538  113.086   11.404   2.8137   10.342   3.8556   12.614   4.1156  739.391  170.077  822.571  165.518 -83.18005 237.3233 
1 1 1   27    5   30 o  511.309  151.362   4.9642   2.5944   6.9745   3.5186   2.5691   3.8406  588.787  176.724  428.543  176.774 160.2447 249.9604 
1 1 1   27    5   32 o  537.391  157.734   5.7799   2.8279   7.4686   3.6832   3.3547   4.4139  590.857  181.543  448.141  187.560 142.7165 261.0298 
1 1 1   27    5   34 o  386.285  151.497   2.6174   2.6711  -0.5440   3.7075   6.0293   3.8516  332.017  153.163  512.992  186.012 -180.9756 240.9555 
1 1 1   27    5   36 o  229.380  114.684  -6.9522   3.4289  -6.9522   3.4289   0.0000   0.0000  229.380  114.684  ?   ?  0.000000 114.6839 
1 1 1   27    5   38 o  587.091  199.707   10.049   4.3904   13.435   4.9267  -3.0128   9.6770  673.414  210.471  380.297  190.511 293.1170 283.8882 
1 1 1   27    6    1 o  1274.41  122.324   26.301   4.8213   18.692   6.8688   33.690   6.7691  1034.56  218.868  1431.07  153.456 -396.5074 267.3054 
1 1 1   27    6    3 o  1653.28   91.950   43.529   4.7413   43.875   8.3877   43.367   5.7476  1629.12  166.779  1643.39  112.368 -14.26868 201.1018 
1 1 1   27    6    5 o  1224.95  114.524   24.200   4.3418   0.0000   0.0000   24.200   4.3418  ?   ?   1224.95  114.524 0.000000 114.5242 
1 1 1   27    6    7 o  584.435  120.955   5.6698   2.1405   4.9060   3.1175   6.3510   2.9443  544.913  166.954  613.194  153.654 -68.28094 226.8991 
1 1 1   27    6    9 o  661.599  107.563   7.1582   2.1518   7.3152   3.1485   7.0205   2.9475  657.460  155.394  645.216  148.917 12.24493 215.2288 
1 1 1   27    6   11 o  816.076   96.047   10.740   2.4074   8.7247   3.5184   12.514   3.3011  716.766  160.730  873.903  124.123 -157.1363 203.0776 
1 1 1   27    6   13 o  1377.50   81.300   30.189   3.4912   27.631   5.0946   32.453   4.7936  1302.89  126.470  1419.72  108.657 -116.8235 166.7366 
1 1 1   27    6   15 o  420.059  137.340   2.7886   2.0799   0.2222   3.1688   4.7313   2.7569  366.840  156.460  530.831  155.723 -163.9912 220.7473 
1 1 1   27    6   17 o  491.241  134.743   4.0539   2.1349   4.3561   2.9887   3.7390   3.0508  514.616  164.324  488.148  166.471 26.46759 233.9122 
1 1 1   27    6   19 o  356.964  133.172   1.6389   1.9975   1.5244   2.7551   1.7658   2.9003  387.358  153.240  402.712  157.885 -15.35376 220.0228 
1 1 1   27    6   21 o  775.366  108.711   9.8704   2.5668   2.8243   3.4536   18.566   3.8366  460.287  174.383  1064.47  117.037 -604.1863 210.0169 
1 1 1   27    6   23 o  814.854  120.651   11.068   2.9854   8.3400   3.6582   16.509   5.1656  686.452  170.865  969.293  176.707 -282.8406 245.8047 
1 1 1   27    6   25 o  348.523  143.386   0.9681   2.5186  -0.0000   3.8967   1.6627   3.3007  385.505  168.912  406.031  165.256 -20.52670 236.3066 
1 1 1   27    6   27 o  370.369  142.671   1.8565   2.3365   5.4214   3.1936  -2.2490   3.4272  541.707  169.481  310.185  144.518 231.5221 222.7314 
1 1 1   27    6   29 o  738.317  128.608   9.6810   2.8652   12.746   3.9954   6.4363   4.1110  824.062  160.612  566.128  193.246 257.9346 251.2767 
1 1 1   27    6   31 o  302.472  139.624  -1.2632   3.0884  -1.2632   3.0884   0.0000   0.0000  302.472  139.624  ?   ?  0.000000 139.6242 
1 1 1   27    6   33 o  451.352  180.462   3.9261   3.8593   3.9261   3.8593   0.0000   0.0000  451.352  180.462  ?   ?  0.000000 180.4620 
1 1 1   27    6   35 o  311.970  152.970  -5.2207   5.0866 -13.1646   6.7150   5.4739   7.7914  301.293  151.931  481.493  222.089 -180.1999 269.0848 
1 1 1   27    6   37 o  255.301  126.110  -5.1214   3.6748  -5.1214   3.6748   0.0000   0.0000  255.301  126.110  ?   ?  0.000000 126.1098 
1 1 1   27    7    0 o  1071.39  100.131   18.414   3.3202   17.619   6.0146   18.762   3.9819  1015.04  196.337  1075.98  120.244 -60.93451 230.2316 
1 1 1   27    7    2 o  317.755  130.941   0.5518   2.1046   3.9607   4.1499  -0.6286   2.4419  528.960  192.884  300.652  132.655 228.3082 234.0975 
1 1 1   27    7    4 o  1053.30  101.538   17.808   3.3074   15.668   5.9964   18.743   3.9650  952.495  206.969  1075.82  119.735 -123.3290 239.1082 
1 1 1   27    7    6 o  774.870  141.892   9.9783   3.3159   0.0000   0.0000   9.9783   3.3159  ?   ?   774.870  141.892 0.000000 141.8919 
1 1 1   27    7    8 o  965.622   93.785   14.942   2.7999   11.752   4.0682   17.814   3.8594  836.053  161.244  1048.07  119.752 -212.0206 200.8481 
1 1 1   27    7   10 o  928.678   94.271   13.844   2.7033   14.281   3.7491   13.370   3.9016  932.758  132.052  898.275  143.547 34.48352 195.0476 
1 1 1   27    7   12 o  538.482  135.355   4.8697   2.2797   11.313   3.1051  -2.6644   3.3577  830.360  123.155  310.816  144.215 519.5441 189.6449 
1 1 1   27    7   14 o  1233.96   99.835   24.448   3.8244   20.803   4.6395   32.174   6.7551  1126.12  134.219  1392.83  157.664 -266.7075 207.0567 
1 1 1   27    7   16 o  430.431  147.261   2.8307   2.3874   2.9773   3.1281   2.6263   3.6946  459.352  167.470  465.401  179.371 -6.049561 245.3976 
1 1 1   27    7   18 o  1054.13   89.644   17.820   2.9308   15.656   4.0680   20.155   4.2261  971.931  137.507  1110.23  123.665 -138.3043 184.9356 
1 1 1   27    7   20 o  437.698  145.845   3.0330   2.3414   1.7342   3.0175   4.9985   3.7119  406.169  160.469  550.898  183.637 -144.7285 243.8701 
1 1 1   27    7   22 o  1138.49   92.731   20.918   3.2770   25.986   4.5836   15.618   4.6870  1258.85  117.647  952.842  162.949 306.0086 200.9804 
1 1 1   27    7   24 o  345.695  133.805   1.4220   2.0627   4.3490   2.8965  -1.5898   2.9382  503.529  161.875  301.839  138.174 201.6900 212.8275 
1 1 1   27    7   26 o  570.862  136.445   5.7558   2.4058   3.7652   3.4494   7.6414   3.3571  479.116  175.679  645.375  165.374 -166.2589 241.2710 
1 1 1   27    7   28 o  866.411  163.158   13.928   4.2640   13.928   4.2640   0.0000   0.0000  866.411  163.158  ?   ?  0.000000 163.1575 
1 1 1   27    7   30 f  362.878  158.924   0.5604   3.4460   1.5876   4.0578  -2.0968   6.5263  408.681  175.747  414.939  195.279 -6.258820 262.7180 
1 1 1   27    7   32 o  634.859  193.587   8.8864   4.1978   8.8864   4.1978   0.0000   0.0000  634.859  193.587  ?   ?  0.000000 193.5872 
1 1 1   27    7   34 o  444.733  174.408   3.9585   3.5399   6.2288   3.9001  -6.6578   8.4338  522.253  187.473  386.663  191.007 135.5900 267.6373 
1 1 1   27    7   36 o  536.386  196.211   7.4811   4.2991   7.4811   4.2991   0.0000   0.0000  536.386  196.211  ?   ?  0.000000 196.2107 
1 1 1   27    7   38 o  254.130  124.647  -3.8970   3.3855  -1.4510   3.8428 -12.3794   7.1560  302.932  144.657  299.888  151.816 3.043976 209.6987 
1 1 1   27    8    1 o  707.715  123.244   8.2365   2.6319   1.8722   4.9900   10.689   3.0978  495.259  202.565  807.609  126.666 -312.3509 238.9077 
1 1 1   27    8    3 o  247.253  113.868  -1.5110   2.0368  -1.8787   4.1230  -1.3923   2.3427  370.310  167.206  273.289  124.440 97.02066 208.4305 
1 1 1   27    8    5 o  719.054  125.990   8.5143   2.7333   8.3040   5.0134   8.6033   3.2605  699.206  211.194  716.706  150.099 -17.50012 259.0994 
1 1 1   27    8    7 o  1325.54  112.889   28.246   4.6409   0.0000   0.0000   28.246   4.6409  ?   ?   1325.54  112.889 0.000000 112.8889 
1 1 1   27    8    9 o  526.241  130.326   4.6275   2.1362   5.2131   3.1400   4.1228   2.9148  559.594  166.715  506.111  162.351 53.48294 232.7057 
1 1 1   27    8   11 o  681.333  121.276   7.6585   2.4925   6.5890   3.5070   8.7501   3.5431  622.974  173.410  718.449  161.431 -95.47504 236.9194 
1 1 1   27    8   13 o  805.205  122.991   10.647   3.0026   8.0252   3.5846   16.812   5.4970  685.524  168.245  993.077  183.538 -307.5534 248.9830 
1 1 1   27    8   15 o  367.053  142.076   1.4855   2.3257   4.8132   3.0496  -3.1399   3.5954  538.251  165.161  315.688  147.396 222.5634 221.3679 
1 1 1   27    8   17 o  495.598  144.572   4.0957   2.3822   1.6926   3.2558   6.8648   3.4949  417.019  166.072  632.728  171.920 -215.7091 239.0327 
1 1 1   27    8   19 o  742.437  140.931   9.2725   3.1565   6.1207   4.6495   11.967   4.2989  607.803  205.521  834.741  170.241 -226.9376 266.8727 
1 1 1   27    8   21 o  941.971  106.129   14.465   3.0758   12.653   4.0170   17.033   4.7820  861.548  154.582  1001.12  157.772 -139.5734 220.8790 
1 1 1   27    8   23 o  578.803  146.795   5.8273   2.6644   5.4135   3.4422   6.4456   4.2083  557.487  176.177  603.065  195.247 -45.57690 262.9824 
1 1 1   27    8   25 o  295.785  130.967  -0.4465   2.4007   1.0557   3.1436  -2.5486   3.7186  379.379  158.491  323.596  150.689 55.78311 218.6930 
1 1 1   27    8   27 o  741.749  179.841   10.475   4.1337   10.475   4.1337   0.0000   0.0000  741.749  179.841  ?   ?  0.000000 179.8411 
1 1 1   27    8   29 o  691.714  164.998   9.1410   3.5237   10.396   3.9389   4.1135   7.8851  731.333  174.447  538.484  237.945 192.8488 295.0421 
1 1 1   27    8   31 o  1116.61  129.034   22.352   4.4284   25.541   5.1080   12.701   8.8858  1180.27  141.004  662.446  270.555 517.8267 305.0941 
1 1 1   27    8   33 o  399.992  171.258   2.0493   3.8231   2.0493   3.8231   0.0000   0.0000  399.992  171.258  ?   ?  0.000000 171.2585 
1 1 1   27    8   35 o  348.275  158.070   0.3445   3.7411   0.3445   3.7411   0.0000   0.0000  348.275  158.070  ?   ?  0.000000 158.0697 
1 1 1   27    8   37 o  510.521  191.289   6.9077   4.1302   10.210   5.3081   1.8408   6.5754  575.800  216.639  407.048  192.893 168.7517 290.0692 
1 1 1   27    9    0 o  1113.25   84.586   19.708   2.9265   16.981   4.2240   22.225   4.0583  1020.10  135.601  1176.22  111.522 -156.1125 175.5695 
1 1 1   27    9    2 o  922.565  103.072   13.685   2.9266   11.790   5.2922   14.520   3.5126  827.958  205.176  945.986  121.385 -118.0276 238.3933 
1 1 1   27    9    4 o  414.780  143.419   2.5355   2.2668   5.3610   4.6933   1.6759   2.5887  591.684  206.266  389.349  150.122 202.3345 255.1118 
1 1 1   27    9    6 o  1261.18   99.576   25.418   3.9003   18.092   7.0404   28.662   4.6850  1019.57  226.423  1335.94  113.057 -316.3741 253.0797 
1 1 1   27    9    8 o  641.598  161.386   6.9569   3.2393   0.0000   0.0000   6.9569   3.2393  ?   ?   641.598  161.386 0.000000 161.3864 
1 1 1   27    9   10 o  1200.26   86.330   22.941   3.2229   15.312   4.6379   30.065   4.4818  957.800  160.308  1369.66  105.308 -411.8574 191.8030 
1 1 1   27    9   12 o  691.351  111.572   7.8220   2.3331   5.2327   3.3029   10.400   3.2960  561.528  171.814  791.922  137.929 -230.3942 220.3287 
1 1 1   27    9   14 o  1129.86  128.897   20.818   4.4786   20.739   6.9337   20.875   5.8666  1093.92  210.061  1113.98  173.864 -20.06421 272.6800 
1 1 1   27    9   16 o  338.346  132.782   1.1453   2.0531   1.8108   3.1003   0.6255   2.7401  415.213  163.097  356.866  148.433 58.34702 220.5286 
1 1 1   27    9   18 o  1346.72   89.358   28.984   3.7467   29.452   5.2612   28.501   5.3370  1344.16  126.489  1320.32  130.814 23.84473 181.9661 
1 1 1   27    9   20 f  424.951  147.914   2.7362   2.4130   3.1070   3.2289   2.2673   3.6315  465.149  170.061  448.537  176.410 16.61230 245.0330 
1 1 1   27    9   22 o  471.707  170.818   3.3677   3.2466   4.1470   4.1646   2.1605   5.1836  521.856  192.761  493.081  204.545 28.77496 281.0609 
1 1 1   27    9   24 o  446.367  157.494   3.1806   2.7412   4.5283   3.1915  -0.6099   5.3524  512.662  170.248  431.750  193.083 80.91278 257.4207 
1 1 1   27    9   26 o  586.842  161.247   6.3052   3.0543   5.4162   3.6348   8.4408   5.6336  544.373  181.728  650.414  226.029 -106.0419 290.0245 
1 1 1   27    9   28 o  584.165  171.200   6.5178   3.3337   4.7756   3.6695   14.750   7.9765  510.151  181.982  778.302  269.038 -268.1512 324.8063 
1 1 1   27    9   30 o  312.086  145.098  -1.7704   3.4260  -5.2984   3.7892   14.032   8.0195  276.754  134.908  726.276  267.632 -449.5217 299.7114 
1 1 1   27    9   32 o  599.666  216.396   8.4702   5.2036   8.4702   5.2036   0.0000   0.0000  599.666  216.396  ?   ?  0.000000 216.3965 
1 1 1   27    9   34 f  262.390  127.809  -4.2483   3.3826  -5.8917   3.8127   1.8269   7.3308  262.970  129.628  450.800  210.476 -187.8301 247.1911 
1 1 1   27    9   36 o  271.594  131.331  -3.2339   3.4066  -4.0593   4.1488  -1.5255   5.9685  290.687  141.583  370.617  177.859 -79.92996 227.3310 
1 1 1   27   10    1 o  240.597  109.682  -1.1420   1.8267  -3.0545   2.8370   0.2124   2.3874  271.987  128.228  324.162  136.926 -52.17484 187.5933 
1 1 1   27   10    3 o  907.447   94.274   13.183   2.6396   10.955   3.7757   15.313   3.6918  811.131  154.295  971.472  124.208 -160.3407 198.0773 
1 1 1   27   10    5 o  891.651  115.532   12.879   3.1498   5.6927   5.9321   15.700   3.7170  628.609  230.401  983.757  123.382 -355.1479 261.3577 
1 1 1   27   10    7 o  425.794  147.340   2.6783   2.3926   1.4021   4.4456   3.1987   2.8389  462.205  190.368  463.420  160.484 -1.214844 248.9887 
1 1 1   27   10    9 o  443.486  150.515   2.9873   2.4938   8.7012   4.8417   0.9240   2.9095  713.263  205.546  377.340  154.544 335.9234 257.1635 
1 1 1   27   10   11 o  439.966  136.128   3.1217   2.0668   1.5691   2.8622   4.8134   2.9877  397.335  156.505  539.823  163.031 -142.4873 225.9934 
1 1 1   27   10   13 o  482.677  135.422   3.8661   2.1300   1.5965   2.9306   6.4078   3.1012  401.171  158.254  615.533  159.576 -214.3618 224.7419 
1 1 1   27   10   15 o  356.226  137.219   1.4118   2.1612   0.4178   2.6698   3.3015   3.6811  346.591  145.513  490.852  181.243 -144.2616 232.4288 
1 1 1   27   10   17 o  702.341  126.760   8.1830   2.6851   7.0706   3.8737   9.2119   3.7254  642.353  183.472  734.557  165.889 -92.20465 247.3483 
1 1 1   27   10   19 o  325.688  133.763   0.6732   2.1872   6.8472   3.0705  -5.6866   3.1164  632.316  156.036  247.273  120.927 385.0424 197.4094 
1 1 1   27   10   21 o  578.545  149.032   5.7706   2.7164   3.0822   4.1007   7.8725   3.6260  487.333  188.651  669.362  172.057 -182.0289 255.3292 
1 1 1   27   10   23 o  747.461  146.854   9.6878   3.3145   9.8434   4.9068   9.5571   4.4950  725.963  206.196  720.221  194.676 5.742065 283.5762 
1 1 1   27   10   25 o  1258.16  120.662   26.616   4.6953   23.306   6.8446   29.558   6.4531  1109.77  204.503  1291.43  163.225 -181.6514 261.6564 
1 1 1   27   10   27 o  598.785  209.077   7.0222   4.8230   7.0222   4.8230   0.0000   0.0000  598.785  209.077  ?   ?  0.000000 209.0774 
1 1 1   27   10   29 o  326.119  152.086  -2.1370   3.8099  -2.1370   3.8099   0.0000   0.0000  326.119  152.086  ?   ?  0.000000 152.0856 
1 1 1   27   10   31 o  453.228  183.894   3.3438   4.0719   4.9359   4.6953  -1.4858   8.1781  506.421  200.142  454.735  215.383 51.68512 294.0180 
1 1 1   27   10   33 o  269.216  127.676  -2.3289   2.8917  -3.7348   3.4223   1.1802   5.4066  273.954  132.262  420.303  190.472 -146.3494 231.8894 
1 1 1   27   10   35 o  327.423  148.812  -0.0860   3.3304   0.9482   3.9598  -2.5859   6.1565  369.268  165.540  372.151  179.111 -2.883881 243.8946 
1 1 1   27   11    0 o  385.510  144.757   1.8108   2.3677   2.9433   4.1671   1.2709   2.8772  498.553  190.909  388.813  155.689 109.7408 246.3442 
1 1 1   27   11    2 o  868.236  117.112   12.215   3.1026   11.978   3.9427   12.601   5.0283  849.799  153.832  861.482  191.381 -11.68329 245.5423 
1 1 1   27   11    4 o  517.178  139.471   4.4409   2.3103   8.8969   3.4204   0.7020   3.1331  729.451  154.552  382.713  158.913 346.7385 221.6747 
1 1 1   27   11    6 o  1342.59  101.499   28.775   4.2355   16.764   7.6592   34.067   5.0835  975.829  249.648  1458.48  112.174 -482.6511 273.6916 
1 1 1   27   11    8 o  1091.27  110.832   19.153   3.7346   17.520   6.7909   19.862   4.4715  1006.14  221.546  1105.56  131.762 -99.42249 257.7674 
1 1 1   27   11   10 o  550.174  173.955   4.9199   3.3556   0.0000   0.0000   4.9199   3.3556  ?   ?   550.174  173.955 0.000000 173.9551 
1 1 1   27   11   12 o  634.370  176.964   6.8029   3.6481   0.0000   0.0000   6.8029   3.6481  ?   ?   634.370  176.964 0.000000 176.9637 
1 1 1   27   11   14 o  439.335  146.766   2.9812   2.3708   6.5860   3.5648   0.1225   3.1746  623.904  175.245  366.319  156.430 257.5844 234.9067 
1 1 1   27   11   16 o  576.219  152.716   5.6069   2.7998   1.4423   4.0656   9.3636   3.8614  445.076  182.534  740.755  170.068 -295.6791 249.4830 
1 1 1   27   11   18 o  790.536  134.296   10.402   3.2054   8.8194   4.3111   12.358   4.7934  711.381  189.962  843.846  186.385 -132.4651 266.1291 
1 1 1   27   11   20 o  972.923  124.312   15.635   3.7005   15.197   5.2071   16.082   5.2600  931.346  185.075  960.536  181.539 -29.19043 259.2468 
1 1 1   27   11   22 o  1066.91  128.885   19.030   4.2185   12.413   5.9686   25.635   5.9631  808.573  226.633  1220.99  159.805 -412.4190 277.3090 
1 1 1   27   11   24 o  482.419  157.567   3.9918   2.7380   0.5895   4.2189   6.4673   3.5987  412.404  178.272  595.976  178.689 -183.5719 252.4099 
1 1 1   27   11   26 o  545.644  151.654   5.3748   2.6844   7.5833   3.6585   2.7991   3.9510  635.770  177.166  456.496  182.567 179.2738 254.3979 
1 1 1   27   11   28 o  649.214  212.942   8.6986   4.9986   8.6986   4.9986   0.0000   0.0000  649.214  212.942  ?   ?  0.000000 212.9417 
1 1 1   27   11   30 o  391.279  168.505   1.1824   3.7408   1.1824   3.7408   0.0000   0.0000  391.279  168.505  ?   ?  0.000000 168.5048 
1 1 1   27   11   32 o  310.755  145.614  -1.9956   3.5621  -1.9956   3.5621   0.0000   0.0000  310.755  145.614  ?   ?  0.000000 145.6143 
1 1 1   27   11   34 o  287.660  135.240  -1.8361   3.1161  -2.2717   3.5974  -0.5270   6.2362  301.970  142.975  407.186  191.396 -105.2157 238.9027 
1 1 1   27   12    1 o  505.959  143.941   4.2160   2.3891   2.7563   3.4944   5.4974   3.2739  468.790  175.891  576.917  169.825 -108.1276 244.4957 
1 1 1   27   12    3 o  1073.33  104.023   18.444   3.4522   20.422   6.0889   17.507   4.1909  1106.72  182.035  1038.49  131.852 68.22791 224.7700 
1 1 1   27   12    5 o  371.290  145.588   1.3599   2.4664   11.195   4.1593  -3.9738   3.0631  817.130  168.167  270.894  129.300 546.2367 212.1292 
1 1 1   27   12    7 o  423.745  150.965   2.5254   2.5245   4.0195   4.2161   1.6904   3.1519  535.448  194.543  416.329  164.157 119.1184 254.5476 
1 1 1   27   12    9 f  291.806  135.707  -2.5799   3.0001   0.0000   0.0000  -2.5799   3.0001  ?   ?   291.806  135.707 0.000000 135.7069 
1 1 1   27   12   11 o  477.567  171.092   3.2384   3.2467   0.0000   0.0000   3.2384   3.2467  ?   ?   477.567  171.092 0.000000 171.0915 
1 1 1   27   12   13 o  311.428  139.826  -1.2029   2.8367   0.0000   0.0000  -1.2029   2.8367  ?   ?   311.428  139.826 0.000000 139.8263 
1 1 1   27   12   15 o  493.383  161.184   3.8739   2.8650   6.0762   4.0048   1.5653   4.1004  604.653  189.889  450.834  183.921 153.8189 264.3574 
1 1 1   27   12   17 o  441.513  154.267   2.9111   2.6259   4.1277   3.4338   1.1973   4.0754  514.278  176.591  437.355  181.393 76.92245 253.1559 
1 1 1   27   12   19 o  723.010  127.429   8.7318   2.7795   10.924   3.8571   6.3643   4.0088  798.396  159.862  608.174  189.820 190.2229 248.1679 
1 1 1   27   12   21 o  543.925  146.307   5.1088   2.5462   2.2041   3.4566   8.5548   3.7649  435.632  171.863  694.720  173.570 -259.0874 244.2617 
1 1 1   27   12   23 o  665.016  140.635   7.6783   2.8370   8.2460   3.9369   7.0652   4.0917  672.049  182.414  622.207  191.373 49.84192 264.3837 
1 1 1   27   12   25 o  542.177  163.549   5.2897   3.0080   7.2104   4.4544   3.6796   4.0783  618.221  200.930  490.856  188.649 127.3652 275.6108 
1 1 1   27   12   27 o  745.210  149.024   9.9803   3.3559   5.3285   4.5375   15.597   4.9860  543.105  201.088  910.673  181.226 -367.5684 270.7014 
1 1 1   27   12   29 o  310.775  142.606  -1.3344   3.1556   1.0264   3.8515  -6.1556   5.5040  395.362  170.619  342.969  166.117 52.39249 238.1299 
1 1 1   27   12   31 o  562.727  178.783   6.3594   3.5412   5.7435   4.2841   7.6878   6.2919  534.183  195.798  587.722  231.870 -53.53839 303.4807 
1 1 1   27   12   33 o  358.848  160.644   0.2567   3.7151   0.8758   4.4956  -1.0767   6.5975  396.015  177.039  417.196  196.340 -21.18048 264.3716 
1 1 1   27   13    0 o  470.196  151.742   3.4707   2.5434   4.2521   4.2199   3.0249   3.1874  545.306  195.086  468.823  169.334 76.48288 258.3260 
1 1 1   27   13    2 o  1238.69  103.167   24.482   3.9651   21.488   6.8041   26.022   4.8793  1131.05  199.406  1272.13  124.071 -141.0795 234.8538 
1 1 1   27   13    4 o  595.440  152.466   5.9181   2.8550   3.9070   4.8987   6.9526   3.5133  552.609  208.078  643.857  171.278 -91.24847 269.5038 
1 1 1   27   13    6 o  762.875  134.738   9.5704   3.1009   6.6990   5.2045   11.151   3.8610  649.151  217.452  819.253  156.210 -170.1015 267.7444 
1 1 1   27   13    8 o  2271.21  101.999   81.811   7.2539   83.822   12.387   80.761   8.9490  2264.35  176.085  2244.98  127.834 19.37085 217.5944 
1 1 1   27   13   10 o  776.653  170.810   10.156   4.0409   0.0000   0.0000   10.156   4.0409  ?   ?   776.653  170.810 0.000000 170.8104 
1 1 1   27   13   12 o  509.541  166.735   4.1027   3.0653   0.7136   6.2062   5.1962   3.5253  514.551  219.199  565.021  178.262 -50.47003 282.5339 
1 1 1   27   13   14 o  1218.22  138.240   24.214   5.1799   14.150   8.1974   30.904   6.6832  890.222  270.317  1369.80  158.757 -479.5812 313.4890 
1 1 1   27   13   16 o  381.429  157.632   0.8632   3.0618   2.3939   6.2228   0.3743   3.5170  544.821  224.903  389.746  165.496 155.0749 279.2319 
1 1 1   27   13   18 o  291.683  129.334  -0.6556   2.3493  -1.9391   3.0488   1.2204   3.6859  305.147  140.078  418.890  173.019 -113.7428 222.6150 
1 1 1   27   13   20 f  745.446  126.364   9.3157   2.8442   10.420   3.8169   7.9374   4.2650  774.516  162.565  666.824  193.133 107.6921 252.4435 
1 1 1   27   13   22 o  946.901  119.386   14.932   3.4611   12.361   4.5162   18.591   5.3878  830.553  178.937  1026.77  173.778 -196.2200 249.4342 
1 1 1   27   13   24 o  379.405  146.140   1.8535   2.4513   1.1983   3.2986   2.6616   3.6634  391.359  162.826  450.422  177.175 -59.06265 240.6306 
1 1 1   27   13   26 o  686.676  143.633   8.3594   2.9891   2.2785   4.2501   14.311   4.2046  450.979  185.985  895.824  155.537 -444.8446 242.4507 
1 1 1   27   13   28 o  496.021  157.554   4.4654   2.7503  -0.9054   4.6727   7.3123   3.4020  388.351  176.413  622.111  169.864 -233.7599 244.8988 
1 1 1   27   13   30 f  507.007  191.851   4.7136   4.1769   4.7136   4.1769   0.0000   0.0000  507.007  191.851  ?   ?  0.000000 191.8512 
1 1 1   27   13   32 o  690.027  207.148   10.487   4.8340   10.487   4.8340   0.0000   0.0000  690.027  207.148  ?   ?  0.000000 207.1478 
1 1 1   27   14    1 o  1143.52   93.133   20.798   3.3058   20.856   4.7257   20.743   4.6261  1135.34  135.613  1132.94  132.931 2.404663 189.8988 
1 1 1   27   14    3 o  520.666  170.277   4.2444   3.1971   4.9564   3.6487   1.8907   6.6343  559.633  181.853  558.470  231.515 1.163574 294.3971 
1 1 1   27   14    5 o  547.325  147.302   4.9670   2.5801   9.3703   3.6852   0.7330   3.6136  749.144  161.829  409.005  170.317 340.1390 234.9394 
1 1 1   27   14    7 o  1040.23  105.260   17.325   3.3813   13.978   4.9198   20.322   4.6550  914.009  178.305  1119.90  135.505 -205.8873 223.9512 
1 1 1   27   14    9 o  1151.57  101.758   21.181   3.6315   15.442   4.5013   31.881   6.1461  968.464  153.558  1403.29  141.819 -434.8235 209.0277 
1 1 1   27   14   11 o  1852.70  112.364   54.834   6.4877   42.251   9.0259   68.283   9.3318  1598.17  183.704  2054.68  145.996 -456.5063 234.6533 
1 1 1   27   14   13 o  756.318  173.793   9.7096   4.0294   8.8109   7.5993   10.061   4.7525  740.847  262.140  765.203  197.133 -24.35651 327.9918 
1 1 1   27   14   15 o  648.406  174.764   7.1858   3.6287   12.976   6.6792   4.7612   4.3221  852.532  240.024  558.795  197.698 293.7369 310.9598 
1 1 1   27   14   17 o  318.959  144.035  -1.3665   3.0603   11.477   6.3893  -5.1905   3.4863  796.409  237.939  276.155  133.366 520.2548 272.7668 
1 1 1   27   14   19 o  854.792  116.441   12.050   3.0355   13.145   4.1789   10.827   4.4166  876.151  158.144  782.840  183.392 93.31140 242.1612 
1 1 1   27   14   21 o  310.585  135.256  -0.1829   2.4648   0.6604   3.1264  -1.5681   4.0069  372.027  156.893  361.459  163.873 10.56836 226.8696 
1 1 1   27   14   23 o  313.142  135.803  -0.0447   2.4642  -0.9958   3.3842   1.0287   3.5952  339.618  152.587  400.827  168.599 -61.20856 227.3954 
1 1 1   27   14   25 o  745.664  143.967   9.7449   3.2397   7.0562   4.2862   13.328   4.9479  614.551  196.846  843.868  191.626 -229.3170 274.7162 
1 1 1   27   14   27 o  462.724  156.998   3.6946   2.7133  -2.5364   3.5098   12.949   4.2774  310.124  145.071  839.979  168.491 -529.8541 222.3393 
1 1 1   27   14   29 o  387.318  167.904   0.7411   3.7638   0.7411   3.7638   0.0000   0.0000  387.318  167.904  ?   ?  0.000000 167.9039 
1 1 1   27   14   31 o  358.499  161.407  -0.3458   3.8098  -0.3458   3.8098   0.0000   0.0000  358.499  161.407  ?   ?  0.000000 161.4074 
1 1 1   27   15    0 o  883.160  114.286   12.568   3.0863   13.016   4.3867   12.128   4.3431  886.887  164.002  854.284  168.348 32.60272 235.0271 
1 1 1   27   15    2 o  476.053  148.959   3.6048   2.4670   3.7009   3.8450   3.5375   3.2162  516.342  186.061  491.604  170.785 24.73767 252.5591 
1 1 1   27   15    4 o  778.297  123.203   9.8563   2.9025   8.1618   4.4328   11.128   3.8403  697.970  195.196  820.313  155.194 -122.3423 249.3727 
1 1 1   27   15    6 o  329.807  138.570   0.2871   2.4241  -1.6519   3.6051   1.8873   3.2751  348.892  157.053  430.044  168.003 -81.15201 229.9793 
1 1 1   27   15    8 o  267.744  117.644  -0.4680   1.9020  -0.1940   2.5561  -0.8079   2.8471  322.350  139.054  323.384  142.934 -1.033051 199.4142 
1 1 1   27   15   10 o  440.904  145.303   3.0054   2.3264   3.3177   3.1457   2.6285   3.4562  478.570  168.731  462.351  174.621 16.21954 242.8226 
1 1 1   27   15   12 o  309.248  129.763   0.2894   2.1213  -4.0411   2.8259   5.8800   3.2108  253.759  121.939  592.091  166.318 -338.3324 206.2299 
1 1 1   27   15   14 o  219.020  104.379  -2.5218   1.9800  -6.9275   2.7248   2.4076   2.8821  208.695  104.012  429.583  160.024 -220.8878 190.8562 
1 1 1   27   15   16 o  316.110  147.078  -2.8655   3.5305   0.0000   0.0000  -2.8655   3.5305  ?   ?   316.110  147.078 0.000000 147.0781 
1 1 1   27   15   18 o  409.067  170.869   0.9720   3.6530  -2.5365   8.0795   1.8735   4.0955  508.439  231.354  452.805  184.163 55.63470 295.7036 
1 1 1   27   15   20 o  1072.82  157.657   19.663   5.1382   15.201   9.5025   21.506   6.1081  868.031  293.813  1108.02  182.400 -239.9901 345.8260 
1 1 1   27   15   22 f  434.569  155.656   2.8848   2.6872   2.3270   3.5763   3.6082   4.0726  441.522  174.614  498.057  189.204 -56.53528 257.4648 
1 1 1   27   15   24 o  444.879  156.699   3.1679   2.7125   4.0341   3.6703   2.1255   4.0263  499.556  181.514  446.577  182.225 52.97861 257.2031 
1 1 1   27   15   26 o  359.665  145.679   1.2865   2.5507  -3.7118   3.3962   7.7534   3.8631  286.104  136.446  643.978  182.973 -357.8739 228.2469 
1 1 1   27   15   28 o  462.047  171.426   3.4829   3.3009   4.3070   3.4887  -3.5594   10.199  496.556  177.410  507.178  240.309 -10.62137 298.7023 
1 1 1   27   15   30 o  481.707  154.934   4.2366   2.6532   7.9393   3.7663   0.5885   3.7384  636.898  180.563  380.883  166.201 256.0150 245.4098 
1 1 1   27   16    1 o  648.590  138.429   6.9505   2.7257   4.3261   4.1927   8.8717   3.5872  549.332  194.676  730.255  161.194 -180.9232 252.7499 
1 1 1   27   16    3 o  681.817  140.064   7.6770   2.8902   2.3685   4.2745   12.148   3.9230  487.094  191.451  859.496  151.290 -372.4022 244.0120 
1 1 1   27   16    5 o  677.749  135.216   7.5744   2.7690   10.203   4.2152   5.5796   3.6724  780.114  176.666  586.599  181.451 193.5141 253.2497 
1 1 1   27   16    7 o  525.845  147.653   4.5603   2.5311   1.4974   3.6769   7.3190   3.4895  434.722  175.318  660.835  168.206 -226.1127 242.9600 
1 1 1   27   16    9 o  256.714  120.257  -2.3904   2.4265  -5.4980   3.5207   0.4214   3.3490  276.569  133.680  385.883  162.541 -109.3138 210.4521 
1 1 1   27   16   11 o  876.758  113.966   12.458   3.0548   10.244   3.9850   15.611   4.7570  779.031  168.284  968.211  162.677 -189.1797 234.0585 
1 1 1   27   16   13 o  518.042  148.407   4.4735   2.5307   3.3410   3.4759   5.7512   3.6919  486.228  176.645  587.642  181.957 -101.4141 253.5977 
1 1 1   27   16   15 o  1200.58  115.942   23.382   4.3044   27.202   6.0396   19.440   6.1361  1279.73  153.803  1062.22  191.532 217.5078 245.6414 
1 1 1   27   16   17 o  603.160  194.540   6.1842   4.1809   0.0000   0.0000   6.1842   4.1809  ?   ?   603.160  194.540 0.000000 194.5396 
1 1 1   27   16   19 o  1513.96  164.406   38.888   7.6685   0.0000   0.0000   38.888   7.6685  ?   ?   1513.96  164.406 0.000000 164.4056 
1 1 1   27   16   21 o  710.718  168.255   8.9133   3.6864   17.470   9.2331   7.2906   4.0207  922.267  288.113  638.578  188.264 283.6893 344.1694 
1 1 1   27   16   23 o  295.309  128.853  -0.2002   2.2467  -1.9130   3.3379   1.2186   3.0379  318.173  146.247  383.437  157.581 -65.26324 214.9885 
1 1 1   27   16   25 o  946.530  112.565   14.935   3.2708   9.7237   4.6491   20.042   4.6025  717.500  199.635  1082.16  139.043 -364.6612 243.2842 
1 1 1   27   16   27 o  520.527  182.142   4.7626   3.6613   3.6589   3.9124   12.544   10.388  484.791  185.138  744.185  296.556 -259.3940 349.6016 
1 1 1   27   16   29 o  515.940  155.494   4.8582   2.7199   4.1727   4.0438   5.4246   3.6755  497.298  188.627  539.633  182.730 -42.33542 262.6221 
1 1 1   27   17    0 o  465.040  157.620   3.2318   2.7348   0.2015   3.4246   8.5661   4.5436  385.443  163.467  715.765  196.670 -330.3217 255.7351 
1 1 1   27   17    2 o  357.492  150.624   0.2876   2.8772   3.3050   3.5811  -5.2072   4.8325  494.023  179.326  354.043  167.048 139.9800 245.0768 
1 1 1   27   17    4 o  734.428  147.098   8.9207   3.2648   10.022   4.2273   7.2927   5.1395  772.993  178.289  671.578  215.598 101.4146 279.7667 
1 1 1   27   17    6 o  772.016  143.943   9.8362   3.3516   8.4604   4.1819   12.307   5.6042  708.591  186.089  849.422  211.513 -140.8309 281.7213 
1 1 1   27   17    8 o  765.768  146.215   9.7223   3.3781   7.2491   4.2699   13.860   5.5229  658.072  194.010  901.813  200.749 -243.7415 279.1773 
1 1 1   27   17   10 o  446.221  161.622   2.7506   2.9067   3.4805   3.9318   1.8710   4.3163  507.095  187.298  469.882  189.792 37.21347 266.6492 
1 1 1   27   17   12 o  624.739  152.374   6.5926   2.9541   4.2484   3.9625   9.5254   4.4323  533.427  189.234  743.724  189.718 -210.2968 267.9595 
1 1 1   27   17   14 o  447.098  156.558   2.9809   2.7052   0.2005   3.6652   6.3080   4.0094  392.039  167.765  611.191  189.681 -219.1525 253.2275 
1 1 1   27   17   16 o  362.996  141.478   1.4246   2.3184   1.1229   3.0355   1.8470   3.5917  386.911  158.090  434.724  173.994 -47.81274 235.0876 
1 1 1   27   17   18 o  520.033  150.867   4.5882   2.6006   2.4182   3.4261   7.5381   3.9946  445.465  172.438  655.504  185.996 -210.0389 253.6320 
1 1 1   27   17   20 o  274.864  129.865  -3.0521   2.9388   3.0178   9.1640  -3.7478   3.1027  614.985  264.277  273.116  130.298 341.8692 294.6525 
1 1 1   27   17   22 o  744.445  174.800   9.8661   4.0051   16.867   10.143   8.5730   4.3593  893.324  303.552  687.053  194.076 206.2709 360.2906 
1 1 1   27   17   24 o  548.168  230.520   3.1570   6.7182   6.6366   8.6541  -2.1205   10.658  651.648  266.673  560.592  258.986 91.05615 371.7365 
1 1 1   27   17   26 o  325.844  139.020   0.3384   2.5032  -1.0646   3.6617   1.5692   3.4298  349.949  157.834  407.102  167.387 -57.15326 230.0653 
1 1 1   27   17   28 o  641.261  147.967   7.3758   2.9107   5.0248   4.1793   9.5902   4.0560  533.565  193.719  713.273  181.237 -179.7076 265.2806 
1 1 1   27   18    1 o  813.845  140.232   10.849   3.4446   8.2124   4.4202   14.926   5.4967  700.762  194.546  943.915  192.497 -243.1535 273.6840 
1 1 1   27   18    3 o  497.912  167.903   3.7642   3.1031   5.9219   3.8524  -0.2228   5.2366  603.012  185.730  460.614  198.863 142.3980 272.1070 
1 1 1   27   18    5 o  729.170  156.811   8.8697   3.4739   15.711   5.0363   2.6602   4.7982  972.262  171.706  513.094  202.467 459.1676 265.4727 
1 1 1   27   18    7 o  1212.94  121.411   23.692   4.5493   22.870   6.1501   24.686   6.7604  1175.34  172.220  1217.92  182.921 -42.58252 251.2371 
1 1 1   27   18    9 o  1198.03  104.802   22.996   3.8919   17.979   5.2582   29.075   5.7879  1039.14  167.278  1336.98  140.349 -297.8441 218.3568 
1 1 1   27   18   11 o  308.813  138.103  -1.0402   2.7382  -2.7945   3.4171   2.1070   4.5770  312.529  145.173  484.851  195.579 -172.3217 243.5705 
1 1 1   27   18   13 o  430.026  157.148   2.5390   2.7568  -1.2678   3.5888   8.0184   4.3056  352.929  157.950  682.134  192.945 -329.2048 249.3511 
1 1 1   27   18   15 o  731.031  148.167   9.0266   3.2755   6.8406   4.5568   11.364   4.7114  634.876  202.924  807.761  189.537 -172.8845 277.6735 
1 1 1   27   18   17 o  409.235  154.698   2.1341   2.7141   2.3103   3.4075   1.8282   4.4888  442.359  171.765  467.903  191.835 -25.54346 257.4955 
1 1 1   27   18   19 o  610.763  149.705   6.4119   2.8408   5.4713   3.6896   7.7815   4.4521  567.944  182.707  663.481  198.710 -95.53693 269.9402 
1 1 1   27   18   21 o  290.203  131.043  -1.1030   2.5328  -2.5212   3.0942   1.7769   4.4094  294.214  137.157  458.361  189.275 -164.1469 233.7456 
1 1 1   27   18   23 o  630.201  200.107   7.1421   4.4368 -18.0628   11.117   11.918   4.8389  446.803  220.452  809.240  193.569 -362.4372 293.3736 
1 1 1   27   18   25 o  429.850  178.327   1.5974   3.9403   2.6633   10.431   1.4199   4.2557  612.058  271.902  436.535  183.517 175.5224 328.0386 
1 1 1   27   19    0 o  294.866  139.221  -3.7283   3.3670  -2.9739   3.6317  -8.3453   8.9839  324.180  150.263  489.914  230.103 -165.7339 274.8208 
1 1 1   27   19    2 o  542.595  184.254   4.4864   3.7372   3.7918   4.0522   8.4397   9.6673  525.000  190.729  776.271  292.304 -251.2715 349.0261 
1 1 1   27   19    4 o  427.765  187.421  -0.7915   4.7971  -0.7915   4.7971   0.0000   0.0000  427.765  187.421  ?   ?  0.000000 187.4209 
1 1 1   27   19    6 o  628.481  207.839   6.3328   4.7583   9.5264   5.2253  -9.1782   11.516  747.602  212.936  558.995  261.897 188.6073 337.5378 
1 1 1   27   19    8 o  648.990  206.967   6.9548   4.7423   9.0763   5.2955  -1.6375   10.657  729.474  216.317  616.784  274.379 112.6901 349.3949 
1 1 1   27   19   10 o  389.737  175.273  -1.7767   4.4777  -0.0452   4.9512  -9.5531   10.493  447.459  193.275  519.222  245.338 -71.76321 312.3233 
1 1 1   27   19   12 o  520.633  195.776   3.6002   4.3338   2.9381   4.8330   6.3173   9.7908  516.066  203.340  715.365  286.934 -199.2998 351.6789 
1 1 1   27   19   14 o  449.493  179.218   1.9931   3.7957   3.1929   4.0697  -6.0286   10.523  497.668  189.118  549.733  255.154 -52.06503 317.5988 
1 1 1   27   19   16 o  812.305  178.219   11.400   4.4085   14.123   4.8007  -3.2516   11.136  907.579  175.274  593.012  270.520 314.5667 322.3384 
1 1 1   27   19   18 o  533.820  195.319   4.2433   4.2605   6.9807   4.7130  -7.9945   9.9651  637.342  206.652  505.428  238.902 131.9141 315.8790 
1 1 1   27   19   20 o  408.190  169.691   1.0794   3.5785   1.3888   3.7794  -1.6000   11.123  425.635  175.441  599.932  272.392 -174.2967 324.0015 
1 1 1   27   19   22 o  1052.45  143.280   18.678   4.5991   18.107   4.9662   22.117   12.188  1027.54  159.522  1005.19  332.650 22.35199 368.9219 
1 1 1   27   19   24 o  326.916  144.784  -0.5698   2.9356  -0.7215   3.0312   1.7204   11.778  328.415  146.199  633.289  284.586 -304.8742 319.9429 
1 1 1   27   20    1 o  1303.52  131.689   27.379   5.3014   27.686   5.9135   26.124   11.965  1306.36  147.127  1204.47  314.023 101.8842 346.7805 
1 1 1   27   20    3 o  522.718  186.938   3.8961   3.8744   3.6726   4.1056   5.7149   11.712  521.447  191.591  760.449  310.606 -239.0020 364.9430 
1 1 1   27   20    5 o  939.670  208.025   15.099   5.9591   15.099   5.9591   0.0000   0.0000  939.670  208.025  ?   ?  0.000000 208.0250 
1 1 1   27   20    7 o  1285.85  148.320   26.989   5.8623   30.149   6.6475   15.933   12.434  1355.71  159.655  955.873  335.590 399.8380 371.6316 
1 1 1   27   20    9 o  455.281  191.496   0.8316   4.6376   1.4848   5.1638  -1.8925   10.546  492.184  204.161  608.961  271.772 -116.7764 339.9148 
1 1 1   27   20   11 o  432.708  185.702   0.1597   4.5141  -4.9474   5.0690   19.727   9.9222  365.651  172.088  1034.43  293.006 -668.7830 339.8044 
1 1 1   27   20   13 o  538.314  204.010   3.8155   4.7278   4.4735   5.2145   0.7763   11.207  570.994  214.742  654.929  286.720 -83.93439 358.2217 
1 1 1   27   20   15 o  642.533  223.229   6.7002   5.4947   11.799   6.2342 -11.0489   11.632  813.190  232.917  532.529  253.567 280.6617 344.3060 
1 1 1   27   20   17 o  693.606  184.430   8.3675   4.0748   9.8342   4.3530  -2.0170   11.583  751.057  186.059  618.158  279.584 132.8987 335.8347 
1 1 1   27   20   19 o  343.122  153.851  -1.1895   3.4221  -2.2848   3.5892   9.7570   11.347  329.380  151.492  780.643  310.300 -451.2632 345.3056 
1 1 1   27   20   21 o  637.708  196.785   7.1463   4.3223   8.7310   4.6227  -3.8704   12.189  698.638  200.702  598.149  276.556 100.4894 341.7081 
1 1 1   27   20   23 o  433.570  178.168   1.6205   3.8831   1.6015   4.0982   1.7877   12.146  441.172  182.348  650.472  290.879 -209.2999 343.3100 
1 1 1   27   21    0 o  595.339  195.311   5.6179   4.2050   4.0667   4.5104   15.925   11.626  547.212  200.852  963.605  324.996 -416.3927 382.0525 
1 1 1   27   21    2 o  529.103  191.227   3.9192   4.0658   5.5418   4.3293  -8.2060   11.835  594.103  198.332  580.705  269.886 13.39728 334.9235 
1 1 1   27   21    4 o  512.693  180.165   3.8510   3.5841   4.9894   3.7514  -8.0616   12.135  561.657  184.486  589.429  273.725 -27.77197 330.0911 
1 1 1   27   21    6 o  603.373  182.960   6.0170   3.7572   8.5864   3.9663 -16.4400   11.726  712.327  178.254  503.434  243.493 208.8929 301.7675 
1 1 1   27   21    8 o  653.520  191.531   7.1845   4.1724   4.9409   4.4447   23.834   12.108  572.245  200.658  1133.06  324.617 -560.8099 381.6281 
1 1 1   27   21   10 o  1055.50  204.260   19.061   6.5068   16.934   7.5683   25.089   12.740  977.832  247.083  1151.91  333.854 -174.0734 415.3416 
1 1 1   27   21   12 o  599.311  212.760   5.4732   5.0099   6.3244   5.5908   2.0039   11.287  637.153  224.911  678.372  292.417 -41.21948 368.9074 
1 1 1   27   21   14 o  429.898  190.375  -1.0685   5.0742  -2.6515   5.6194   5.9233   11.810  425.017  193.219  744.707  308.818 -319.6895 364.2835 
1 1 1   27   21   16 o  549.437  218.274   3.3847   5.6116  -2.2397   6.3491   23.464   11.996  459.904  207.592  1094.96  325.789 -635.0531 386.3069 
1 1 1   27   21   18 o  497.828  208.529   1.5733   5.4626   1.5733   5.4626   0.0000   0.0000  497.828  208.529  ?   ?  0.000000 208.5294 
1 1 1   27   21   20 o  670.300  200.146   7.8990   4.5217   6.0178   4.8389   20.856   12.699  604.185  209.507  1003.78  339.654 -399.5908 399.0714 
1 1 1   27   22    1 o  378.478  168.307  -1.2897   4.0065  -1.6456   4.2075   2.1695   13.117  381.486  170.856  739.551  316.949 -358.0655 360.0672 
1 1 1   27   22    3 o  878.379  169.759   12.874   4.5001   12.263   4.7909   17.454   13.118  852.858  184.743  1002.53  345.108 -149.6772 391.4449 
1 1 1   27   22    5 o  902.299  165.570   13.551   4.5055   14.184   4.8086   8.9982   12.895  921.380  173.025  836.221  331.296 85.15948 373.7571 
1 1 1   27   22    7 o  672.421  186.523   7.6309   4.0649   7.6272   4.2561   7.6687   13.718  672.770  192.369  824.797  336.434 -152.0274 387.5487 
1 1 1   27   22    9 o  399.361  165.664   0.8155   3.4002   0.4246   3.5186   6.3326   13.219  393.959  166.309  791.610  327.370 -397.6513 367.1916 
1 1 1   27   22   11 o  282.893  134.196  -3.7358   3.1984  -3.8442   3.3012  -2.0769   12.915  287.464  136.356  668.124  299.281 -380.6600 328.8799 
1 1 1   27   22   13 o  515.866  208.814   2.3824   5.2370   2.0185   5.7252   4.2470   12.960  523.558  215.882  746.795  317.416 -223.2366 383.8729 
1 1 1   27   22   15 o  511.788  217.932   0.9313   6.1300   0.9313   6.1300   0.0000   0.0000  511.788  217.932  ?   ?  0.000000 217.9318 
1 1 1   27   22   17 o  483.678  206.733   0.6857   5.5537   0.6875   6.1735   0.6779   12.717  506.001  217.163  682.090  301.752 -176.0887 371.7714 
1 1 1   27   23    0 o  759.886  200.555   9.7666   4.8417   10.188   5.1296   6.3267   14.658  775.335  207.289  832.556  344.551 -57.22101 402.1002 
1 1 1   27   23    2 o  833.386  174.196   11.626   4.3993   10.565   4.5807   24.233   15.790  791.059  187.746  1152.08  378.494 -361.0211 422.5002 
1 1 1   27   23    4 o  543.192  194.108   4.2250   4.1765   5.0648   4.3383  -6.4128   15.440  577.078  198.472  694.090  317.373 -117.0120 374.3219 
1 1 1   27   23    6 o  583.523  187.393   5.4715   3.8825   5.4715   3.8825   0.0000   0.0000  583.523  187.393  ?   ?  0.000000 187.3931 
1 1 1   27   23    8 o  631.242  190.370   6.6148   4.0758   7.7613   4.2466  -6.7826   14.517  678.492  191.515  663.938  305.107 14.55420 360.2337 
1 1 1   27   23   10 o  499.613  186.544   3.2481   3.9211   3.2481   3.9211   0.0000   0.0000  499.613  186.544  ?   ?  0.000000 186.5440 
1 1 1   27   23   12 o  465.583  179.569   2.4961   3.7048   2.6986   3.8522  -0.0002   13.523  477.725  183.405  707.699  312.220 -229.9737 362.1035 
1 1 1   27   23   14 o  325.584  150.109  -2.5352   3.5534  -3.3779   3.6898   8.2324   13.190  318.048  148.768  811.310  330.294 -493.2620 362.2509 
1 1 1   27   24    1 o  576.128  258.125  -3.0023   9.6128  -3.4285   11.724  -2.1277   16.793  634.076  284.505  773.199  344.164 -139.1227 446.5329 
1 1 1   27   24    3 o  504.348  191.219   3.0809   4.1546   2.2487   4.2945   15.230   16.409  483.477  191.302  996.368  379.479 -512.8911 424.9720 
1 1 1   27   24    5 o  296.432  141.017  -4.4079   3.5803  -3.3054   3.6792 -24.1023   15.550  320.606  149.494  562.367  273.950 -241.7614 312.0849 
1 1 1   27   24    7 o  514.391  195.262   3.2351   4.3354   3.2351   4.3354   0.0000   0.0000  514.391  195.262  ?   ?  0.000000 195.2615 
1 1 1   27   24    9 o  652.895  195.520   7.1039   4.3105   5.7900   4.5517   18.524   13.419  606.266  203.355  1021.68  349.138 -415.4122 404.0431 
1 1 1   27   24   11 o  542.506  188.686   4.4300   3.9263   6.1331   4.0829 -16.5017   14.313  611.234  191.694  574.836  275.749 36.39789 335.8332 
1 1 1   27   25    0 o  395.470  174.923  -1.1860   4.2717  -1.1860   4.2717   0.0000   0.0000  395.470  174.923  ?   ?  0.000000 174.9227 
1 1 1   27   25    2 o  840.150  358.385   3.7956   16.631   0.0000   0.0000   3.7956   16.631  ?   ?   840.150  358.385 0.000000 358.3851 
1 1 1   27   25    4 o  732.254  314.741   1.5705   13.003   1.5705   13.003   0.0000   0.0000  732.254  314.741  ?   ?  0.000000 314.7409 
1 1 1   27   25    6 o  583.705  264.986  -4.5452   10.521 -10.0833   14.497   1.6186   15.294  638.628  297.436  781.665  338.656 -143.0366 450.7285 
1 1 1   27   26    1 o  720.621  206.182   8.6688   4.8876   8.6688   4.8876   0.0000   0.0000  720.621  206.182  ?   ?  0.000000 206.1816 
1 1 1   28    0    0 o  998.082  177.797   17.401   5.0311   17.401   5.0311   17.401   5.0311  998.082  177.797  998.082  177.797 -0.000000 0.000000 
1 1 1   28    0    2 o  1493.86  115.608   35.989   5.3333   35.989   5.3333   35.989   5.3333  1493.86  115.608  1493.86  115.608 -0.000000 0.000000 
1 1 1   28    0    4 o  1477.52  115.719   35.206   5.2782   35.206   5.2782   35.206   5.2782  1477.52  115.719  1477.52  115.719 -0.000000 0.000000 
1 1 1   28    0    6 o  354.097  185.687   2.9443   2.7161   2.9443   2.7161   2.9443   2.7161  354.097  185.687  354.097  185.687 -0.000000 0.000000 
1 1 1   28    0    8 o  429.685  236.621   4.2797   4.6137   4.2797   4.6137   4.2797   4.6137  429.685  236.621  429.685  236.621 -0.000000 0.000000 
1 1 1   28    0   10 o  489.657  247.856   5.8156   4.7287   5.8156   4.7287   5.8156   4.7287  489.657  247.856  489.657  247.856 -0.000000 0.000000 
1 1 1   28    0   12 o  496.552  246.156   5.9778   4.6159   5.9778   4.6159   5.9778   4.6159  496.552  246.156  496.552  246.156 -0.000000 0.000000 
1 1 1   28    0   14 o  607.503  278.627   8.8914   5.7938   8.8914   5.7938   8.8914   5.7938  607.503  278.627  607.503  278.627 -0.000000 0.000000 
1 1 1   28    0   16 o  816.237  268.242   13.858   6.0829   13.858   6.0829   13.858   6.0829  816.237  268.242  816.237  268.242 -0.000000 0.000000 
1 1 1   28    0   18 o  647.232  283.041   9.9179   5.9736   9.9179   5.9736   9.9179   5.9736  647.232  283.041  647.232  283.041 -0.000000 0.000000 
1 1 1   28    0   20 o  502.826  274.710   6.0816   6.1623   6.0816   6.1623   6.0816   6.1623  502.826  274.710  502.826  274.710 -0.000000 0.000000 
1 1 1   28    0   22 o  609.349  295.483   9.2392   6.5908   9.2392   6.5908   9.2392   6.5908  609.349  295.483  609.349  295.483 -0.000000 0.000000 
1 1 1   28    0   24 f  1220.87  213.422   26.395   7.4126   26.395   7.4126   26.395   7.4126  1220.87  213.422  1220.87  213.422 -0.000000 0.000000 
1 1 1   28    0   26 o  976.570  233.451   18.129   6.1933   18.129   6.1933   18.129   6.1933  976.570  233.451  976.570  233.451 -0.000000 0.000000 
1 1 1   28    0   28 o  266.662  179.109  -1.2760   4.2300  -1.2760   4.2300  -1.2760   4.2300  266.662  179.109  266.662  179.109 -0.000000 0.000000 
1 1 1   28    0   30 o  620.888  271.890   9.5841   5.5119   9.5841   5.5119   9.5841   5.5119  620.888  271.890  620.888  271.890 -0.000000 0.000000 
1 1 1   28    0   32 o  256.108  175.049  -2.1726   4.4105  -2.1726   4.4105  -2.1726   4.4105  256.108  175.049  256.108  175.049 -0.000000 0.000000 
1 1 1   28    0   34 o  437.533  253.611   4.8062   5.6714   4.8062   5.6714   4.8062   5.6714  437.533  253.611  437.533  253.611 -0.000000 0.000000 
1 1 1   28    0   36 o  205.898  147.965  -7.0673   4.6135  -7.0673   4.6135  -7.0673   4.6135  205.898  147.965  205.898  147.965 -0.000000 0.000000 
1 1 1   28    0   38 f  588.533  287.711   9.6554   6.2698   9.6554   6.2698   9.6554   6.2698  588.533  287.711  588.533  287.711 -0.000000 0.000000 
1 1 1   28    1    1 o  678.588  124.195   7.6346   2.5417   9.3950   4.1678   6.5922   3.2071  737.861  181.615  621.952  162.782 115.9091 243.8894 
1 1 1   28    1    3 o  164.852   81.455  -3.4196   1.5370  -0.4360   2.3510  -5.6471   2.0313  299.512  131.217  174.883   87.560 124.6292 157.7491 
1 1 1   28    1    5 o  491.178  143.854   4.0019   2.3544   2.4599   4.7616   4.5009   2.7087  499.280  200.157  520.278  154.809 -20.99750 253.0386 
1 1 1   28    1    7 o  702.260  128.127   8.1811   2.7136   4.4517   5.1533   9.6119   3.1920  567.959  213.503  759.245  139.403 -191.2865 254.9843 
1 1 1   28    1    9 o  378.786  140.536   1.8622   2.2185   3.3665   4.3638   1.3378   2.5763  512.526  195.575  373.556  148.056 138.9691 245.2962 
1 1 1   28    1   11 o  668.971  128.753   7.4605   2.5991   9.0404   5.0767   6.8993   3.0257  719.057  211.421  636.902  153.520 82.15521 261.2795 
1 1 1   28    1   13 o  321.076  132.939   0.5485   2.1836   1.8426   5.1344   0.2628   2.4127  493.265  204.009  324.960  137.477 168.3051 246.0078 
1 1 1   28    1   15 o  681.050  128.960   7.7566   2.6494   13.969   5.6214   5.9827   3.0040  887.451  206.220  591.173  158.874 296.2778 260.3224 
1 1 1   28    1   17 o  1032.19  105.365   17.285   3.3577   24.028   6.5489   14.880   3.9108  1182.02  182.841  945.898  135.948 236.1249 227.8435 
1 1 1   28    1   19 o  532.738  149.683   4.8369   2.6003  -3.6574   4.3002   9.7330   3.2648  342.349  160.283  758.326  142.730 -415.9760 214.6219 
1 1 1   28    1   21 o  568.796  181.026   5.5554   3.6294   0.0000   0.0000   5.5554   3.6294  ?   ?   568.796  181.026 0.000000 181.0261 
1 1 1   28    1   23 o  917.259  123.503   14.071   3.4570   13.464   5.4058   14.492   4.4968  852.911  204.960  910.374  163.770 -57.46313 262.3530 
1 1 1   28    1   25 o  412.652  159.933   2.2882   2.9500   2.3705   4.6800   2.2339   3.8000  468.728  194.391  438.456  177.735 30.27219 263.3964 
1 1 1   28    1   27 o  439.666  173.048   2.8467   3.4967  -1.4510   4.8117   7.6568   5.0904  382.403  175.703  613.344  214.759 -230.9409 277.4756 
1 1 1   28    1   29 o  698.554  156.220   9.2870   3.3314   8.8992   5.4490   9.5184   4.2098  627.070  221.966  677.350  190.506 -50.27960 292.5086 
1 1 1   28    1   31 o  495.007  187.003   5.0540   3.9643   3.8715   5.4322   6.4013   5.7985  473.619  203.499  532.622  218.163 -59.00256 298.3401 
1 1 1   28    1   33 o  573.150  170.392   7.1321   3.2826   9.5156   5.5356   5.8394   4.0766  591.154  221.465  503.813  189.796 87.34061 291.6661 
1 1 1   28    1   35 o  311.438  143.920  -0.4228   3.2947 -13.3886   4.9417   9.9521   4.4205  243.775  123.696  617.021  200.144 -373.2455 235.2838 
1 1 1   28    1   37 o  317.539  145.521   0.4141   3.2713   3.8837   5.1942  -1.8669   4.2115  410.541  186.301  307.236  147.935 103.3048 237.8926 
1 1 1   28    2    0 o  845.108   96.848   11.522   2.5166   14.478   3.6251   8.7720   3.4964  939.776  126.395  718.328  159.592 221.4481 203.5809 
1 1 1   28    2    2 f  1290.30  117.764   26.938   4.7055   0.0000   0.0000   26.938   4.7055  ?   ?   1290.30  117.764 0.000000 117.7636 
1 1 1   28    2    4 o  695.273  128.796   8.0237   2.7007   5.8373   5.0384   8.9052   3.1991  609.270  213.641  728.600  145.321 -119.3307 258.3812 
1 1 1   28    2    6 o  653.482  129.041   7.1095   2.5468   9.0453   4.9924   6.4285   2.9610  721.969  208.913  615.955  153.948 106.0140 259.5085 
1 1 1   28    2    8 o  536.202  174.393   4.6652   3.3552   0.4589   4.7890   8.7204   4.7022  449.669  192.079  709.371  201.981 -259.7021 278.7306 
1 1 1   28    2   10 o  808.685  111.861   10.668   2.7567   15.356   5.3437   8.9683   3.2179  945.001  187.211  730.336  145.820 214.6644 237.3004 
1 1 1   28    2   12 o  314.368  130.318   0.4997   2.1020  -4.5222   4.7078   1.7500   2.3491  351.889  165.681  378.966  143.761 -27.07788 219.3567 
1 1 1   28    2   14 o  1208.46   94.969   23.447   3.5647   20.784   6.3302   24.684   4.3136  1096.97  191.246  1233.91  112.896 -136.9464 222.0825 
1 1 1   28    2   16 o  922.702  129.918   14.084   3.6497   0.0000   0.0000   14.084   3.6497  ?   ?   922.702  129.918 0.000000 129.9182 
1 1 1   28    2   18 f  542.366  146.227   5.0109   2.5399   5.0068   4.6599   5.0127   3.0295  567.244  204.767  543.768  164.156 23.47632 262.4441 
1 1 1   28    2   20 o  949.839  109.832   14.752   3.2064   11.530   5.3584   16.549   4.0019  797.390  211.241  998.119  131.226 -200.7288 248.6821 
1 1 1   28    2   22 o  297.754  130.328  -0.3047   2.3145  -4.2131   3.8297   1.9442   2.9050  306.802  145.919  405.509  158.280 -98.70731 215.2783 
1 1 1   28    2   24 o  1319.19  100.536   28.485   4.1216   25.002   7.0693   30.278   5.0730  1164.01  201.236  1347.07  121.580 -183.0593 235.1119 
1 1 1   28    2   26 o  556.724  161.332   5.6906   2.9753   8.0746   5.0499   4.4230   3.6824  637.494  214.195  504.086  182.017 133.4074 281.0870 
1 1 1   28    2   28 o  614.645  193.624   7.6989   4.1603   10.760   5.4707   3.5005   6.4067  700.069  222.194  507.327  219.494 192.7422 312.3264 
1 1 1   28    2   30 o  301.633  134.608  -0.2178   2.5866  -2.1255   3.4726   2.1601   3.8769  304.512  143.035  413.145  174.499 -108.6324 225.6300 
1 1 1   28    2   32 o  676.878  148.901   8.9883   3.0702   9.1504   4.0278   8.7635   4.7432  640.195  188.340  601.594  207.492 38.60095 280.2232 
1 1 1   28    2   34 o  298.763  136.706  -0.4222   2.8717  -1.6175   3.7644   1.2418   4.4416  311.567  147.137  381.386  172.754 -69.81873 226.9208 
1 1 1   28    2   36 o  274.463  129.492  -1.3505   2.9031   1.4223   3.6933  -5.8332   4.6960  355.883  159.684  284.784  141.014 71.09918 213.0349 
1 1 1   28    2   38 o  575.358  198.288   10.096   4.3313   10.032   6.5395   10.146   5.7811  487.936  216.097  510.343  214.185 -22.40686 304.2582 
1 1 1   28    3    1 f  535.577  130.333   4.8080   2.1650   4.8728   3.1249   4.7482   3.0023  542.456  167.309  535.307  163.812 7.148682 234.1504 
1 1 1   28    3    3 o  482.866  162.020   3.6473   2.8893   0.0000   0.0000   3.6473   2.8893  ?   ?   482.866  162.020 0.000000 162.0203 
1 1 1   28    3    5 o  937.177  108.307   14.211   3.1197   18.077   5.7134   12.569   3.7239  1031.14  183.688  870.673  141.448 160.4651 231.8378 
1 1 1   28    3    7 o  1146.46   99.418   21.092   3.5336   25.714   6.8591   19.422   4.1228  1234.00  183.066  1092.84  122.595 141.1571 220.3237 
1 1 1   28    3    9 o  1021.07  133.447   17.118   4.1645   24.734   6.4470   11.664   5.4555  1212.60  174.847  814.717  211.863 397.8841 274.6948 
1 1 1   28    3   11 o  827.396  116.104   11.198   2.9252   2.8111   5.8301   14.019   3.3817  541.300  219.895  926.395  119.355 -385.0958 250.1982 
1 1 1   28    3   13 o  1084.49  102.098   18.969   3.4262   20.890   6.7179   18.294   3.9832  1095.11  203.397  1058.10  122.488 37.01843 237.4319 
1 1 1   28    3   15 o  1122.40   98.837   20.295   3.4382   14.598   5.9080   23.212   4.2279  905.733  212.055  1195.46  114.341 -289.7281 240.9178 
1 1 1   28    3   17 o  528.097  143.893   4.7295   2.4442   2.4311   4.2505   5.8649   2.9876  476.252  189.725  584.985  158.957 -108.7333 247.5132 
1 1 1   28    3   19 o  399.646  139.832   2.3884   2.1579   6.2607   3.1003  -1.2499   3.0053  602.360  161.200  317.427  143.094 284.9331 215.5487 
1 1 1   28    3   21 o  804.133  110.443   10.649   2.7075   9.9267   3.8294   11.370   3.8285  754.210  166.596  813.098  156.046 -58.88776 228.2644 
1 1 1   28    3   23 o  848.957  106.429   11.891   2.7670   10.770   3.9382   12.983   3.8886  780.378  166.255  868.248  148.359 -87.87012 222.8258 
1 1 1   28    3   25 f  235.911  110.216  -1.6986   2.0153  -2.9467   2.8074  -0.3716   2.8948  264.365  125.500  325.589  144.006 -61.22427 191.0183 
1 1 1   28    3   27 o  521.798  144.836   4.9659   2.4501   9.3819   3.4407   0.4226   3.4899  711.484  158.500  368.358  160.664 343.1260 225.6882 
1 1 1   28    3   29 o  638.786  141.041   7.5517   2.7457   11.974   3.7039   2.1570   4.0908  798.278  153.758  423.785  179.135 374.4923 236.0738 
1 1 1   28    3   31 o  549.016  162.504   6.0971   2.9905   10.140   3.8369  -0.1595   4.7733  699.982  175.409  382.940  175.599 317.0416 248.2004 
1 1 1   28    3   33 o  627.465  152.344   7.9715   2.9632   7.4097   4.0814   8.5978   4.3090  560.185  192.515  597.749  197.789 -37.56342 276.0119 
1 1 1   28    3   35 o  337.224  148.093   1.0987   3.0104   1.2371   3.9881   0.9155   4.5897  365.399  164.768  372.126  171.210 -6.727417 237.6163 
1 1 1   28    3   37 o  767.396  202.908   15.898   4.9501   15.898   4.9501   0.0000   0.0000  767.396  202.908  ?   ?  0.000000 202.9077 
1 1 1   28    4    0 o  576.120  123.888   5.5311   2.1685   6.6723   3.0504   4.3651   3.0833  627.453  155.939  519.145  167.024 108.3085 228.5041 
1 1 1   28    4    2 o  626.863  145.938   6.6211   2.8110  -0.6009   5.5551   9.1068   3.2590  459.561  201.510  737.231  146.341 -277.6694 249.0427 
1 1 1   28    4    4 o  243.133  112.577  -1.6399   2.0306  -5.9264   4.7517  -0.6822   2.2460  336.232  160.641  285.263  126.475 50.96814 204.4543 
1 1 1   28    4    6 o  561.110  163.908   5.2748   3.0602   10.905   5.2274   2.3391   3.7746  790.783  208.236  461.004  180.287 329.7795 275.4370 
1 1 1   28    4    8 o  633.199  136.770   6.7198   2.6325   4.2911   5.4241   7.4681   3.0108  570.854  217.994  665.448  148.288 -94.59369 263.6487 
1 1 1   28    4   10 o  398.366  159.803   1.4108   3.0373  -1.0398   5.0033   2.8409   3.8221  426.465  188.938  478.210  182.902 -51.74521 262.9654 
1 1 1   28    4   12 o  779.211  124.042   10.016   2.9250   3.8802   5.5659   12.357   3.4381  560.535  219.005  864.975  131.044 -304.4400 255.2170 
1 1 1   28    4   14 o  500.416  147.898   4.1814   2.4787   9.6026   4.4894   1.8042   2.9729  741.110  191.934  408.235  159.903 332.8752 249.8151 
1 1 1   28    4   16 o  903.050   92.928   13.142   2.5902   11.885   3.5246   14.619   3.8194  843.879  138.169  939.563  133.583 -95.68365 192.1850 
1 1 1   28    4   18 o  383.580  132.413   2.2140   1.9319   2.5167   2.6550   1.8734   2.8163  422.953  154.272  402.957  156.241 19.99622 219.5704 
1 1 1   28    4   20 o  300.867  126.195   0.3483   2.0049  -0.4085   2.9005   1.0407   2.7744  332.057  145.605  369.545  151.083 -37.48718 209.8260 
1 1 1   28    4   22 o  641.521  123.376   6.9499   2.3883   8.6893   3.4553   5.3587   3.3049  704.700  160.217  555.874  172.163 148.8267 235.1796 
1 1 1   28    4   24 o  1200.38   92.406   23.471   3.4465   15.388   4.9740   30.935   4.7801  922.053  178.731  1366.61  112.710 -444.5535 211.3018 
1 1 1   28    4   26 f  618.583  134.363   6.7731   2.5280   7.8570   3.4830   5.5663   3.6751  648.065  169.652  547.436  182.732 100.6283 249.3451 
1 1 1   28    4   28 o  1062.08  101.147   19.023   3.3231   19.354   4.6950   18.691   4.7043  1029.84  150.000  1008.25  153.885 21.58893 214.8969 
1 1 1   28    4   30 o  672.777  141.324   8.4601   2.8825   9.6502   3.9385   7.0875   4.2299  684.061  181.048  573.749  196.019 110.3114 266.8369 
1 1 1   28    4   32 o  406.942  152.297   3.0171   2.6165   0.3440   3.7123   5.6559   3.6884  355.276  159.701  511.210  182.441 -155.9337 242.4646 
1 1 1   28    4   34 o  780.800  139.774   11.924   3.2918   12.494   4.6471   11.349   4.6636  719.117  199.418  674.369  203.693 44.74780 285.0583 
1 1 1   28    4   36 o  290.863  138.624  -1.8090   3.4932  -3.9776   3.9368   6.2189   7.5745  278.373  136.090  462.117  215.151 -183.7445 254.5788 
1 1 1   28    5    1 o  902.509   94.638   13.079   2.6346   12.874   3.8553   13.259   3.6088  881.082  144.771  898.408  132.239 -17.32617 196.0765 
1 1 1   28    5    3 f  1517.00   94.370   36.700   4.4604   45.902   8.1106   32.710   5.3406  1671.84  156.762  1423.36  120.975 248.4741 198.0131 
1 1 1   28    5    5 o  698.207  133.523   8.1022   2.8128   12.582   5.5020   6.5171   3.2728  850.115  208.320  620.094  165.479 230.0207 266.0459 
1 1 1   28    5    7 o  565.041  146.026   5.3733   2.6023   5.3294   5.0178   5.3894   3.0435  593.611  212.694  566.565  162.878 27.04553 267.8955 
1 1 1   28    5    9 o  568.173  136.153   5.4233   2.3906   1.7778   4.8382   6.6008   2.7497  484.190  198.913  626.010  143.363 -141.8199 245.1924 
1 1 1   28    5   11 o  801.769  142.963   10.733   3.4575   11.955   5.4760   9.9237   4.4586  824.166  211.223  756.644  188.800 67.52179 283.3032 
1 1 1   28    5   13 o  1551.20   96.716   38.522   4.6743   27.131   8.3015   43.810   5.6561  1242.81  221.440  1649.33  110.153 -406.5227 247.3247 
1 1 1   28    5   15 o  1037.59   91.868   17.284   2.9539   17.529   4.3935   17.082   3.9904  1028.68  140.041  1019.91  127.753 8.762573 189.5579 
1 1 1   28    5   17 o  626.771  129.814   6.5969   2.4639   6.2173   3.6483   6.9152   3.3409  602.505  179.751  633.703  166.281 -31.19818 244.8671 
1 1 1   28    5   19 o  757.037  112.658   9.4328   2.5891   7.3173   3.6245   11.637   3.6999  648.332  174.628  829.578  147.857 -181.2457 228.8156 
1 1 1   28    5   21 o  857.659  104.932   12.039   2.7592   12.436   3.7088   11.547   4.1293  856.711  143.318  814.217  167.550 42.49365 220.4834 
1 1 1   28    5   23 o  1242.27   91.361   25.018   3.5289   21.652   5.0516   28.227   4.9317  1125.33  146.865  1302.82  122.324 -177.4910 191.1346 
1 1 1   28    5   25 o  712.081  129.557   8.7787   2.7823   10.760   4.0537   7.0137   3.8258  763.980  173.419  611.766  184.425 152.2142 253.1536 
1 1 1   28    5   27 o  513.428  149.476   4.8371   2.5488   4.0761   3.5210   5.6749   3.6943  482.540  177.409  545.290  183.204 -62.74939 255.0246 
1 1 1   28    5   29 o  605.655  150.037   6.9340   2.8307   9.7375   3.8991   3.8099   4.1161  697.544  177.945  470.901  186.981 226.6426 258.1206 
1 1 1   28    5   31 o  390.183  147.941   2.5671   2.4869  -0.4820   3.4659   5.8026   3.5704  332.928  151.505  526.118  180.087 -193.1895 235.3410 
1 1 1   28    5   33 o  340.448  152.165   0.4400   3.3192   3.9704   5.8556  -1.2315   4.0291  463.072  204.814  332.497  155.504 130.5744 257.1578 
1 1 1   28    5   35 o  411.841  181.065   2.9655   4.5113   2.9977   5.4556   2.8957   8.0221  422.413  191.389  441.896  210.458 -19.48340 284.4682 
1 1 1   28    5   37 o  427.732  167.406   4.3653   3.2564   5.1296   4.4118   3.4504   4.8267  440.669  186.138  404.133  181.840 36.53662 260.2173 
1 1 1   28    6    0 o  1047.11   85.210   17.478   2.7696   15.388   4.1308   19.184   3.7330  967.031  140.532  1090.90  110.822 -123.8708 178.9711 
1 1 1   28    6    2 o  829.691  117.226   11.216   2.9607   2.5228   5.7196   14.398   3.4603  535.567  217.710  941.071  120.174 -405.5045 248.6749 
1 1 1   28    6    4 o  416.086  154.576   2.2436   2.6856   0.0000   0.0000   2.2436   2.6856  ?   ?   416.086  154.576 0.000000 154.5756 
1 1 1   28    6    6 o  294.079  134.293  -1.6837   2.7533   7.8614   4.2327  -8.6854   3.6251  678.135  191.125  245.092  121.796 433.0424 226.6340 
1 1 1   28    6    8 o  424.435  142.967   2.7614   2.2498   3.7438   4.6509   2.4612   2.5706  534.464  202.394  420.582  152.045 113.8820 253.1421 
1 1 1   28    6   10 o  676.526  126.365   7.5923   2.5784   5.3095   5.0959   8.3779   2.9894  593.352  214.140  707.730  139.853 -114.3782 255.7634 
1 1 1   28    6   12 o  675.081  164.537   7.7847   3.4464   5.0782   5.8523   9.2216   4.2642  601.497  227.214  730.056  186.007 -128.5585 293.6409 
1 1 1   28    6   14 o  249.967  111.701  -0.6910   1.7877   0.3614   2.6595  -1.5584   2.4145  343.192  144.718  273.104  125.106 70.08832 191.2979 
1 1 1   28    6   16 o  721.987  110.076   8.5448   2.4098   6.3191   3.5790   10.391   3.2593  607.814  177.176  789.138  136.863 -181.3231 223.8811 
1 1 1   28    6   18 o  333.462  133.704   0.9637   2.1251   0.0642   3.3386   1.5763   2.7553  370.185  159.306  389.391  153.498 -19.20587 221.2238 
1 1 1   28    6   20 f  647.575  129.862   7.0740   2.5416   8.0266   3.6592   6.1860   3.5328  677.388  172.157  597.238  176.583 80.15027 246.6164 
1 1 1   28    6   22 o  244.472  113.591  -1.6790   2.0943  -2.2284   2.8077  -0.9899   3.1445  281.377  130.998  328.826  147.457 -47.44870 197.2413 
1 1 1   28    6   24 o  891.520  120.717   13.410   3.2832   14.977   4.0755   10.511   5.5417  929.164  144.798  731.736  222.273 197.4284 265.2764 
1 1 1   28    6   26 o  358.028  142.837   1.4891   2.4125  -0.5262   3.3743   3.5964   3.4505  342.752  153.292  468.171  174.955 -125.4190 232.6112 
1 1 1   28    6   28 o  806.506  134.891   11.634   3.2862   11.208   4.1935   12.311   5.2900  755.487  179.856  759.458  213.536 -3.970947 279.1878 
1 1 1   28    6   30 o  356.966  148.721   1.3714   2.7573   2.8051   3.4722  -1.0763   4.5366  423.577  170.528  365.711  168.959 57.86569 240.0563 
1 1 1   28    6   32 o  443.446  157.600   3.8236   2.7496   3.0872   4.0164   4.4731   3.7722  430.904  179.508  470.400  181.261 -39.49548 255.1048 
1 1 1   28    6   34 o  637.243  196.923   9.8477   4.3266   9.8477   4.3266   0.0000   0.0000  637.243  196.923  ?   ?  0.000000 196.9230 
1 1 1   28    6   36 o  261.396  123.265  -1.4263   2.6246   0.5104   3.9536  -2.9523   3.5094  345.891  159.053  275.742  133.327 70.14865 207.5426 
1 1 1   28    7    1 o  516.601  130.158   4.4500   2.1045   4.6034   3.1730   4.3296   2.8120  533.004  169.223  514.928  158.695 18.07556 231.9927 
1 1 1   28    7    3 f  458.494  135.887   3.4405   2.0901   2.6768   2.9429   4.2178   2.9689  444.004  162.351  512.044  163.810 -68.03986 230.6327 
1 1 1   28    7    5 o  923.313  132.427   13.970   3.7190   0.0000   0.0000   13.970   3.7190  ?   ?   923.313  132.427 0.000000 132.4266 
1 1 1   28    7    7 o  553.301  150.920   5.1360   2.6871   0.9133   5.0016   6.8494   3.1860  470.702  198.472  636.065  160.085 -165.3628 254.9866 
1 1 1   28    7    9 o  537.725  154.149   4.8336   2.7295   7.9906   4.9058   3.4181   3.2850  684.174  209.403  483.733  172.223 200.4408 271.1278 
1 1 1   28    7   11 o  824.592  126.072   11.179   3.1518   16.205   5.6706   8.9321   3.7913  970.628  193.370  723.052  170.270 247.5760 257.6505 
1 1 1   28    7   13 o  480.385  165.979   3.5263   3.0358   10.622   5.2070  -0.1274   3.7365  778.101  209.194  387.460  167.629 390.6416 268.0699 
1 1 1   28    7   15 o  382.343  152.721   1.3424   2.7610  -0.9710   5.1145   2.2938   3.2800  431.823  191.183  439.082  169.070 -7.258362 255.2168 
1 1 1   28    7   17 o  709.311  113.448   8.2773   2.4348   12.066   3.4919   4.6920   3.3967  852.097  135.404  535.771  175.527 316.3255 221.6844 
1 1 1   28    7   19 o  880.284  135.182   12.922   3.6070   11.894   4.3004   15.362   6.6244  829.504  171.242  916.076  230.990 -86.57190 287.5417 
1 1 1   28    7   21 f  363.652  147.109   1.1609   2.5975  -1.6678   3.8066   3.6254   3.5531  350.722  159.284  489.776  178.496 -139.0546 239.2324 
1 1 1   28    7   23 o  382.430  141.450   2.0760   2.2440   1.8986   3.2386   2.2399   3.1122  412.777  165.217  420.067  163.865 -7.290009 232.6975 
1 1 1   28    7   25 o  277.901  123.519  -0.4713   2.1552  -0.4389   3.1994  -0.4982   2.9162  338.495  150.471  322.322  143.449 16.17267 207.8921 
1 1 1   28    7   27 o  612.302  141.014   6.7960   2.6478   6.0611   3.7898   7.4967   3.7009  560.051  185.500  620.750  179.944 -60.69855 258.4377 
1 1 1   28    7   29 o  812.901  122.264   11.657   3.0157   11.732   4.2962   11.584   4.2343  765.317  181.945  761.859  180.303 3.457520 256.1506 
1 1 1   28    7   31 o  275.122  126.600  -1.0621   2.5108  -0.1774   3.6371  -1.8677   3.4705  346.866  156.794  307.133  143.858 39.73251 212.7893 
1 1 1   28    7   33 o  398.898  157.242   2.7781   2.8913   0.9122   3.9692   4.8873   4.2200  372.630  166.485  478.411  189.529 -105.7816 252.2665 
1 1 1   28    7   35 o  334.810  143.831   1.2567   2.7128  -0.7433   3.9913   2.9739   3.6983  331.514  154.957  404.740  170.663 -73.22638 230.5159 
1 1 1   28    8    0 o  568.298  127.027   5.3708   2.2036   3.6074   3.3316   6.7422   2.9381  494.492  173.707  633.673  150.341 -139.1807 229.7314 
1 1 1   28    8    2 o  943.802   92.299   14.250   2.6928   15.415   3.9806   13.268   3.6564  970.923  134.550  899.754  133.857 71.16827 189.7933 
1 1 1   28    8    4 o  263.826  116.638  -0.5556   1.8970  -0.0577   2.8301  -0.9617   2.5563  342.030  146.920  299.328  133.680 42.70175 198.6348 
1 1 1   28    8    6 o  1312.38  114.922   27.720   4.6750   0.0000   0.0000   27.720   4.6750  ?   ?   1312.38  114.922 0.000000 114.9220 
1 1 1   28    8    8 o  549.315  145.402   5.0609   2.5401   5.4710   5.1521   4.9292   2.9196  602.074  215.542  544.352  160.411 57.72211 268.6823 
1 1 1   28    8   10 o  431.233  157.770   2.5304   2.7798   1.5883   5.0752   2.9342   3.3224  489.183  202.618  466.082  172.169 23.10056 265.8871 
1 1 1   28    8   12 o  1032.67  142.543   17.586   4.4863   15.528   6.4047   19.569   6.2862  938.876  221.448  1068.67  195.044 -129.7907 295.0951 
1 1 1   28    8   14 o  317.948  140.864  -0.7680   2.7812  -9.2358   5.0782   2.8602   3.3241  313.956  153.713  462.333  171.928 -148.3765 230.6229 
1 1 1   28    8   16 o  263.622  120.279  -1.3296   2.2025   0.3586   2.7734  -4.2126   3.6243  349.617  147.624  299.216  142.206 50.40125 204.9762 
1 1 1   28    8   18 o  342.210  137.551   0.9980   2.2552  -0.6816   2.8889   3.6186   3.6084  325.442  143.904  496.410  180.037 -170.9682 230.4815 
1 1 1   28    8   20 o  557.563  148.362   5.3407   2.6357   7.5378   3.4056   2.0594   4.1619  657.443  165.536  459.099  186.040 198.3438 249.0242 
1 1 1   28    8   22 o  440.447  161.124   2.8929   2.8991   1.5610   3.9458   4.4554   4.2737  431.259  178.644  530.008  195.363 -98.74921 264.7269 
1 1 1   28    8   24 o  332.793  137.860   0.8044   2.3499   2.1143   3.1403  -0.8626   3.5426  413.148  163.551  347.583  156.145 65.56555 226.1203 
1 1 1   28    8   26 o  339.498  141.893   0.8535   2.5212   3.2173   3.3261  -2.3392   3.8655  451.279  171.095  329.576  153.528 121.7032 229.8792 
1 1 1   28    8   28 o  522.508  154.717   5.1183   2.7104   5.1218   3.6636   5.1140   4.0285  518.484  182.155  519.495  189.950 -1.011353 263.1757 
1 1 1   28    8   30 o  354.940  149.538   1.1938   2.8356   6.5630   4.3492  -2.7758   3.7396  556.690  198.171  307.156  145.531 249.5334 245.8676 
1 1 1   28    8   32 o  540.379  169.592   6.0668   3.1950   8.1696   4.8494   4.4538   4.2472  587.062  209.227  474.578  189.464 112.4843 282.2629 
1 1 1   28    8   34 o  348.538  149.563   1.3253   2.9276  -1.4666   4.8660   2.9091   3.6651  352.669  166.772  410.579  171.296 -57.91006 239.0715 
1 1 1   28    8   36 o  445.255  196.197   4.6425   5.3241   4.6425   5.3241   0.0000   0.0000  445.255  196.197  ?   ?  0.000000 196.1971 
1 1 1   28    9    1 o  296.557  126.400   0.0365   2.0657   2.3198   4.5793  -0.5468   2.3145  493.078  196.770  294.853  129.660 198.2258 235.6484 
1 1 1   28    9    3 o  456.853  135.069   3.4101   2.0670   1.9051   3.1108   4.5999   2.7659  421.466  163.988  528.088  156.274 -106.6219 226.5246 
1 1 1   28    9    5 o  543.157  130.004   4.9189   2.1816   1.3887   3.3276   7.5801   2.8891  413.198  166.732  673.995  141.409 -260.7972 218.6229 
1 1 1   28    9    7 o  893.864  138.177   13.150   3.7427   0.0000   0.0000   13.150   3.7427  ?   ?   893.864  138.177 0.000000 138.1770 
1 1 1   28    9    9 o  355.633  149.235   0.4427   2.8060   4.5422   4.8881  -1.5721   3.4268  567.067  208.949  338.166  152.588 228.9007 258.7328 
1 1 1   28    9   11 o  389.046  147.722   1.8109   2.4818  -3.7922   5.2568   3.4179   2.8153  391.367  181.186  471.415  159.922 -80.04739 241.6681 
1 1 1   28    9   13 o  279.647  130.177  -2.3896   2.7712  -9.2223   5.0766   0.5107   3.3075  314.527  153.928  383.888  161.607 -69.36179 223.1826 
1 1 1   28    9   15 o  1019.90   98.941   16.729   3.1200   13.048   4.3695   20.558   4.4565  878.475  164.904  1121.86  129.224 -243.3881 209.5051 
1 1 1   28    9   17 o  1174.23  104.936   22.250   3.8176   24.595   6.3200   20.902   4.7904  1206.48  172.176  1125.38  138.888 81.10413 221.2114 
1 1 1   28    9   19 o  774.632  122.606   9.9597   2.8749   9.1225   3.8005   11.079   4.3955  724.040  170.458  795.295  180.626 -71.25476 248.3578 
1 1 1   28    9   21 o  639.234  157.710   7.1598   3.1373   10.929   3.7616  -1.4540   5.6862  793.273  156.995  435.410  196.504 357.8621 251.5180 
1 1 1   28    9   23 o  745.239  154.146   9.8105   3.4783   16.046   5.0421   4.1485   4.8047  943.064  177.254  524.968  203.929 418.0958 270.1966 
1 1 1   28    9   25 o  777.841  145.557   10.726   3.4149   14.441   5.0499   7.5957   4.6354  872.224  190.258  625.599  205.053 246.6255 279.7226 
1 1 1   28    9   27 o  479.305  177.104   3.9836   3.5161   5.3409   4.7572   2.3493   5.2201  538.176  204.480  468.130  200.266 70.04572 286.2141 
1 1 1   28    9   29 o  674.986  176.082   9.0355   3.7606   11.019   5.1040   6.6798   5.5620  711.467  212.688  565.912  219.530 145.5549 305.6627 
1 1 1   28    9   31 o  436.326  167.487   3.3763   3.2122   4.0483   4.4395   2.6380   4.6537  472.876  191.962  440.472  188.779 32.40366 269.2342 
1 1 1   28    9   33 o  424.168  170.226   3.2166   3.4480   5.8331   4.5112  -0.4592   5.3470  509.759  197.719  386.945  180.358 122.8139 267.6227 
1 1 1   28    9   35 o  330.031  150.171   0.0981   3.4039   1.0238   3.7628  -4.0729   7.9870  360.573  161.526  386.691  190.026 -26.11807 249.4002 
1 1 1   28   10    0 o  481.524  149.277   3.7386   2.4840   7.7441   5.0640   2.4695   2.8505  681.852  213.430  433.181  159.569 248.6709 266.4861 
1 1 1   28   10    2 o  1432.18   82.645   32.519   3.6905   27.704   5.2973   37.061   5.1443  1308.80  131.020  1522.58  108.615 -213.7808 170.1861 
1 1 1   28   10    4 o  435.028  137.597   3.0091   2.0994   4.3663   3.0011   1.7086   2.9378  520.301  164.510  406.802  159.064 113.4986 228.8334 
1 1 1   28   10    6 o  1063.76   91.098   18.056   3.0051   11.360   4.3173   24.350   4.1855  819.912  173.571  1231.77  109.664 -411.8610 205.3118 
1 1 1   28   10    8 o  596.058  171.640   5.9541   3.3773   0.0000   0.0000   5.9541   3.3773  ?   ?   596.058  171.640 0.000000 171.6404 
1 1 1   28   10   10 o  602.303  151.946   6.1054   2.8654   16.463   5.6600   2.5358   3.3227  983.579  190.661  452.224  171.115 531.3548 256.1870 
1 1 1   28   10   12 o  566.989  171.662   5.3385   3.3094   0.0000   0.0000   5.3385   3.3094  ?   ?   566.989  171.662 0.000000 171.6620 
1 1 1   28   10   14 o  544.623  185.967   4.6481   3.8072   0.0000   0.0000   4.6481   3.8072  ?   ?   544.623  185.967 0.000000 185.9672 
1 1 1   28   10   16 o  771.319  160.468   10.106   3.7494   0.0000   0.0000   10.106   3.7494  ?   ?   771.319  160.468 0.000000 160.4678 
1 1 1   28   10   18 o  360.676  141.864   1.3436   2.3486   0.7827   3.6359   1.7452   3.0765  404.080  169.738  409.318  161.931 -5.238190 234.5900 
1 1 1   28   10   20 o  823.265  126.294   11.332   3.1517   11.577   4.9943   11.169   4.0630  798.996  200.070  799.346  167.678 -0.3502808 261.0439 
1 1 1   28   10   22 o  919.287  138.316   14.420   3.8581   11.279   5.6207   17.219   5.3053  766.523  221.629  980.612  179.393 -214.0892 285.1340 
1 1 1   28   10   24 o  364.997  159.951   0.0002   3.4954   0.0000   0.0000   0.0002   3.4954  ?   ?   364.997  159.951 0.000000 159.9508 
1 1 1   28   10   26 o  462.565  162.025   3.6848   2.8976   4.8378   4.6320   2.9435   3.7140  527.599  201.455  451.362  178.123 76.23737 268.9090 
1 1 1   28   10   28 o  266.266  121.566  -1.0051   2.2547   1.6381   3.5536  -2.7861   2.9170  400.535  168.004  269.332  127.878 131.2036 211.1350 
1 1 1   28   10   30 o  319.911  138.745   0.3854   2.5724   1.6605   3.4305  -1.2525   3.8880  390.768  164.548  340.767  157.077 50.00195 227.4845 
1 1 1   28   10   32 o  484.255  181.318   4.7182   3.7095   10.593   4.0615 -24.8410   9.1104  709.558  181.938  ?   ?  0.000000 181.9381 
1 1 1   28   10   34 o  406.805  169.862   2.7178   3.6082  -0.3823   4.0887   13.632   7.6716  348.816  160.889  642.862  255.268 -294.0460 301.7402 
1 1 1   28   11    1 o  328.020  135.564   0.5362   2.2647  -0.7721   3.7199   1.3066   2.8547  374.091  164.445  388.753  155.287 -14.66226 226.1769 
1 1 1   28   11    3 o  786.167  126.345   10.113   3.0049   16.299   5.1965   7.0062   3.6830  987.545  174.430  645.107  176.990 342.4380 248.4980 
1 1 1   28   11    5 o  469.596  166.134   3.1822   3.0521   0.0000   0.0000   3.1822   3.0521  ?   ?   469.596  166.134 0.000000 166.1338 
1 1 1   28   11    7 o  393.390  149.520   1.8205   2.5442   3.8291   4.3533   0.7786   3.1354  532.027  196.967  384.844  159.316 147.1830 253.3334 
1 1 1   28   11    9 o  723.156  135.946   8.6600   2.9653   5.0134   4.9252   10.734   3.7139  584.955  210.602  802.215  153.441 -217.2596 260.5714 
1 1 1   28   11   11 o  310.714  141.932  -1.8893   3.0783   0.0000   0.0000  -1.8893   3.0783  ?   ?   310.714  141.932 0.000000 141.9320 
1 1 1   28   11   13 o  316.343  143.183  -1.5259   3.0445   0.0000   0.0000  -1.5259   3.0445  ?   ?   316.343  143.183 0.000000 143.1834 
1 1 1   28   11   15 f  541.529  188.528   4.5309   3.9202   0.0000   0.0000   4.5309   3.9202  ?   ?   541.529  188.528 0.000000 188.5278 
1 1 1   28   11   17 o  314.394  142.736  -1.5472   3.0534   0.0000   0.0000  -1.5472   3.0534  ?   ?   314.394  142.736 0.000000 142.7359 
1 1 1   28   11   19 o  683.387  137.384   7.9334   2.8379   5.4305   3.5993   12.046   4.6136  564.002  180.356  825.797  183.215 -261.7956 257.0917 
1 1 1   28   11   21 o  379.816  149.725   1.6157   2.6215   0.1235   3.5756   3.3500   3.8548  377.569  163.665  483.852  184.012 -106.2828 246.2656 
1 1 1   28   11   23 o  523.966  154.554   4.8540   2.7091   2.7153   3.5656   7.7748   4.1668  448.864  175.312  645.779  191.974 -196.9149 259.9778 
1 1 1   28   11   25 o  556.566  162.408   5.6579   3.0058   7.5151   4.6547   4.3294   3.9367  623.243  205.538  506.260  187.331 116.9830 278.0984 
1 1 1   28   11   27 o  400.839  160.035   2.0842   3.0304  -0.6431   7.1619   2.6789   3.3446  465.959  214.193  430.522  169.307 35.43649 273.0267 
1 1 1   28   11   29 o  282.708  127.170  -0.5904   2.3588   1.7324   3.3845  -2.7842   3.2891  395.584  164.788  288.643  136.679 106.9412 214.0939 
1 1 1   28   11   31 f  359.483  159.123   0.3995   3.5412   0.5188   3.8893  -0.1788   8.5642  374.551  166.229  472.201  222.671 -97.64999 277.8752 
1 1 1   28   11   33 o  457.640  155.681   4.1240   2.6680   8.0284   4.3041   1.6875   3.4001  591.380  197.751  379.880  162.046 211.5002 255.6648 
1 1 1   28   12    0 o  877.532  124.496   12.515   3.3250   13.108   5.8036   12.225   4.0567  874.247  213.785  858.479  156.687 15.76819 265.0558 
1 1 1   28   12    2 o  1108.15  106.069   19.666   3.6355   23.888   6.3219   17.580   4.4438  1202.12  172.928  1038.28  140.276 163.8416 222.6696 
1 1 1   28   12    4 o  320.967  137.363  -0.0255   2.4576  -3.0944   4.2250   1.5438   3.0213  354.037  163.385  405.426  160.444 -51.38864 228.9915 
1 1 1   28   12    6 o  651.272  146.383   7.0821   2.9125   12.526   4.8663   4.0438   3.6356  860.138  186.090  521.050  181.548 339.0878 259.9789 
1 1 1   28   12    8 o  2255.32  121.968   81.439   8.5813   73.037   12.231   89.586   12.043  2103.80  187.632  2344.59  165.099 -240.7920 249.9265 
1 1 1   28   12   10 o  477.496  148.157   3.6788   2.4462  -2.6170   3.3608   10.773   3.5675  313.412  145.017  805.870  146.785 -492.4582 206.3388 
1 1 1   28   12   12 f  682.560  163.558   7.8807   3.4499   6.9378   6.5417   8.2441   4.0605  673.367  242.685  695.303  183.737 -21.93579 304.3934 
1 1 1   28   12   14 o  765.483  148.671   9.8203   3.4351   13.782   7.4211   8.7399   3.8752  876.330  255.036  714.785  174.633 161.5447 309.0954 
1 1 1   28   12   16 o  713.537  179.594   8.8261   4.0096   0.3807   7.0873   12.802   4.8626  528.701  229.798  859.021  186.156 -330.3199 295.7382 
1 1 1   28   12   18 o  751.759  161.824   9.7617   3.6965   4.0915   7.9809   11.310   4.1708  614.153  254.207  806.958  170.410 -192.8046 306.0405 
1 1 1   28   12   20 o  902.783  110.473   13.432   3.0577   15.814   4.1566   10.622   4.5141  966.170  141.596  766.907  189.158 199.2634 236.2842 
1 1 1   28   12   22 o  409.170  148.984   2.4949   2.4745   3.4954   3.4155   1.3896   3.5900  475.100  174.722  410.444  170.240 64.65652 243.9458 
1 1 1   28   12   24 o  294.441  129.930  -0.3513   2.3432   1.6490   3.4622  -2.0421   3.1830  409.195  168.203  303.786  140.763 105.4086 219.3320 
1 1 1   28   12   26 o  353.866  145.943   1.1184   2.6171  -3.3816   3.7042   5.6040   3.6982  305.276  144.698  549.113  183.307 -243.8365 233.5356 
1 1 1   28   12   28 o  914.345  119.716   14.432   3.3452   16.188   5.0039   13.012   4.4980  919.031  180.326  821.870  179.787 97.16132 254.6382 
1 1 1   28   12   30 o  423.374  172.032   2.5531   3.5695   5.3894   4.0795  -6.7102   7.3725  523.661  191.197  390.670  189.931 132.9913 269.4997 
1 1 1   28   12   32 o  609.780  163.537   7.4348   3.1868   6.9317   4.5514   7.9187   4.4636  560.015  202.336  595.746  201.370 -35.73090 285.4642 
1 1 1   28   13    1 o  758.669  117.404   9.3596   2.6989   7.4211   3.7222   11.509   3.9192  664.730  176.040  833.161  155.959 -168.4307 235.1881 
1 1 1   28   13    3 o  413.277  148.372   2.3495   2.4430   4.1908   3.6277   0.8216   3.3045  527.604  181.491  395.917  163.701 131.6863 244.4117 
1 1 1   28   13    5 o  749.008  124.035   9.1690   2.8072   12.615   4.0331   5.9303   3.9098  873.721  152.993  602.550  187.362 271.1710 241.8911 
1 1 1   28   13    7 o  595.935  155.222   5.9358   2.9253   2.9420   3.9081   9.7504   4.4114  489.744  185.512  758.396  186.956 -268.6527 263.3767 
1 1 1   28   13    9 o  1546.19   99.994   38.076   4.8153   35.931   7.9484   39.320   6.0524  1476.09  175.402  1564.11  124.612 -88.02148 215.1605 
1 1 1   28   13   11 o  1810.30   92.184   52.074   5.2082   44.229   7.3283   60.080   7.4031  1650.60  143.209  1934.09  122.880 -283.4866 188.7017 
1 1 1   28   13   13 o  520.196  148.138   4.5093   2.5292   6.7931   3.3624   1.5334   3.8382  632.648  167.209  438.970  178.383 193.6785 244.4980 
1 1 1   28   13   15 o  314.731  140.542  -0.9747   2.8245   5.8209   7.2569  -2.1880   3.0663  648.235  250.954  301.942  139.290 346.2929 287.0190 
1 1 1   28   13   17 o  329.530  146.770  -0.8838   3.0591   4.9529   6.5062  -2.5403   3.4662  603.523  236.511  317.239  146.958 286.2842 278.4499 
1 1 1   28   13   19 o  407.618  168.097   1.2855   3.4717   7.4718   7.0229  -0.7152   3.9938  665.842  249.447  379.988  168.554 285.8539 301.0552 
1 1 1   28   13   21 o  315.292  135.753   0.0743   2.4269  -0.8377   3.2445   1.2328   3.6567  336.870  150.514  410.491  171.165 -73.62158 227.9297 
1 1 1   28   13   23 o  472.283  153.867   3.8088   2.6115   9.4342   3.5586  -2.7564   3.8444  726.645  160.668  327.167  152.640 399.4782 221.6152 
1 1 1   28   13   25 o  661.254  153.673   7.8767   3.1213   0.9805   4.2580   15.887   4.5890  418.418  179.985  940.972  161.570 -522.5540 241.8665 
1 1 1   28   13   27 o  893.839  131.807   13.929   3.5783   16.430   4.7880   10.766   5.3856  943.873  168.169  720.901  219.150 222.9720 276.2377 
1 1 1   28   13   29 o  278.226  133.555  -3.7806   3.3703  -3.7806   3.3703   0.0000   0.0000  278.226  133.555  ?   ?  0.000000 133.5555 
1 1 1   28   13   31 o  394.773  155.928   2.3185   2.8485   5.2056   4.1196  -0.3262   3.9428  513.384  191.303  360.666  163.122 152.7173 251.4068 
1 1 1   28   14    0 o  393.632  146.317   1.9374   2.4070   1.5134   3.4217   2.3527   3.3866  423.989  169.781  451.174  172.261 -27.18536 241.8665 
1 1 1   28   14    2 o  573.527  150.961   5.4670   2.7480   2.2431   4.0447   8.2311   3.7452  473.408  186.182  700.398  172.021 -226.9900 253.4854 
1 1 1   28   14    4 o  329.265  138.654   0.2527   2.4359  -1.2466   3.5306   1.6149   3.3652  353.526  157.551  424.528  168.910 -71.00195 230.9823 
1 1 1   28   14    6 o  923.927  112.627   13.754   3.1909   12.157   4.5641   15.281   4.4628  851.147  177.020  963.983  152.960 -112.8364 233.9499 
1 1 1   28   14    8 o  468.384  142.584   3.5467   2.2786   1.9494   2.9391   5.9534   3.6077  416.631  160.141  599.741  178.706 -183.1094 239.9608 
1 1 1   28   14   10 o  916.429  134.555   13.745   3.7462   16.140   5.2005   11.162   5.4010  981.210  175.717  804.775  211.543 176.4350 275.0035 
1 1 1   28   14   12 o  270.342  123.201  -1.3812   2.3023  -5.1325   3.3149   2.1148   3.2001  268.248  129.673  431.629  166.774 -163.3815 211.2545 
1 1 1   28   14   14 o  300.050  134.166  -0.9542   2.5833  -3.6776   3.4217   2.6558   3.9395  296.093  139.966  475.537  184.676 -179.4444 231.7240 
1 1 1   28   14   16 o  474.812  175.656   3.1700   3.4609   1.2014   7.2993   3.7409   3.9309  546.386  235.342  508.483  187.374 37.90295 300.8232 
1 1 1   28   14   18 o  370.735  160.826  -0.0512   3.4580   3.8638   7.0570  -1.2882   3.9668  585.325  240.320  367.422  165.130 217.9030 291.5842 
1 1 1   28   14   20 o  1016.59  161.846   17.879   4.9792   5.7898   8.7994   23.573   6.0390  647.960  267.458  1164.03  170.761 -516.0719 317.3216 
1 1 1   28   14   22 o  800.380  181.230   11.624   4.4364   13.525   9.3680   11.074   5.0370  800.681  290.132  767.437  205.508 33.24335 355.5419 
1 1 1   28   14   24 o  481.749  161.301   3.9760   2.8637   2.0170   3.7099   6.8641   4.5045  430.139  175.149  607.538  202.283 -177.3995 267.5739 
1 1 1   28   14   26 o  365.934  147.874   1.4195   2.6215  -0.3726   3.6660   3.2949   3.7503  361.716  160.918  467.065  180.520 -105.3480 241.8309 
1 1 1   28   14   28 o  348.781  152.137   0.2435   3.1299   2.3389   3.5897  -6.3995   6.3916  426.488  172.795  374.629  180.838 51.85925 250.1210 
1 1 1   28   14   30 o  375.098  152.238   1.7121   2.7916  -3.1500   3.9857   6.3943   3.9112  316.550  150.057  565.132  188.508 -248.5822 240.9403 
1 1 1   28   15    1 o  767.065  124.830   9.5871   2.8952   7.8629   4.3463   10.962   3.8817  685.959  193.795  813.450  158.091 -127.4906 250.0987 
1 1 1   28   15    3 o  607.649  144.145   6.1381   2.7012   8.9774   4.2172   4.1628   3.5175  730.355  184.382  524.802  178.754 205.5524 256.8063 
1 1 1   28   15    5 o  667.622  150.202   7.4254   3.0640   3.1115   4.3626   11.624   4.3042  511.882  195.497  834.073  170.558 -322.1908 259.4401 
1 1 1   28   15    7 o  438.506  143.934   2.9758   2.2836   1.2918   3.0561   5.1050   3.4364  398.569  160.152  561.391  175.831 -162.8212 237.8337 
1 1 1   28   15    9 o  430.187  148.407   2.7400   2.4265   3.8187   2.9812   0.6224   4.1769  495.181  164.548  430.774  181.490 64.40778 244.9788 
1 1 1   28   15   11 o  1100.73  117.602   19.597   3.9906   14.353   5.3019   26.452   6.0612  915.861  191.059  1266.71  156.119 -350.8474 246.7318 
1 1 1   28   15   13 o  392.521  156.342   1.4486   2.8859   1.7239   3.6633   0.9984   4.6852  435.922  175.277  457.791  192.510 -21.86914 260.3499 
1 1 1   28   15   15 o  995.513  118.316   16.205   3.6159   15.603   4.7258   17.056   5.6160  958.936  163.235  992.144  187.647 -33.20801 248.7109 
1 1 1   28   15   17 o  376.468  151.641   1.2735   2.7472   0.9660   3.5486   1.7334   4.3401  403.789  168.514  457.389  188.206 -53.59955 252.6232 
1 1 1   28   15   19 o  697.138  182.346   8.6679   4.0259   15.692   8.8073   6.8126   4.5265  884.409  282.053  622.136  202.567 262.2735 347.2573 
1 1 1   28   15   21 o  295.431  138.680  -2.8858   3.2554   0.8574   8.6869  -3.4973   3.5113  558.956  248.232  299.476  141.633 259.4801 285.7950 
1 1 1   28   15   23 o  386.840  168.303   0.1829   3.8090   0.0000   0.0000   0.1829   3.8090  ?   ?   386.840  168.303 0.000000 168.3027 
1 1 1   28   15   25 o  724.228  193.290   9.9459   4.4650   9.9459   4.4650   0.0000   0.0000  724.228  193.290  ?   ?  0.000000 193.2896 
1 1 1   28   15   27 o  624.213  186.439   7.4553   3.9232   8.7928   4.2234  -0.9613   10.595  674.147  191.238  541.987  253.043 132.1606 317.1791 
1 1 1   28   15   29 o  617.456  147.557   6.9925   2.8140   3.4279   4.1623   9.9934   3.8190  471.183  187.733  724.580  171.066 -253.3971 253.9827 
1 1 1   28   16    0 o  772.548  139.711   9.7999   3.2553   5.8709   4.5361   13.972   4.6743  612.171  202.951  918.570  168.730 -306.3992 263.9302 
1 1 1   28   16    2 o  684.648  150.296   7.7889   3.1337   5.1141   4.3536   10.665   4.5142  580.524  198.862  796.359  184.627 -215.8349 271.3547 
1 1 1   28   16    4 o  586.859  155.460   5.7319   2.9022   6.0902   4.1448   5.3872   4.0651  612.924  193.282  584.290  192.051 28.63385 272.4727 
1 1 1   28   16    6 o  356.158  143.535   0.9690   2.4627   0.6042   3.4909   1.3305   3.4749  398.580  166.807  419.705  170.022 -21.12515 238.1854 
1 1 1   28   16    8 o  474.701  149.477   3.6112   2.4797   0.5832   3.2786   7.6588   3.7906  386.280  161.658  672.709  177.411 -286.4291 240.0170 
1 1 1   28   16   10 f  406.135  148.330   2.2219   2.4555   0.0114   3.3008   4.9613   3.6745  370.078  158.809  555.884  182.586 -185.8056 241.9874 
1 1 1   28   16   12 o  872.188  129.861   12.522   3.4384   10.185   4.8564   14.872   4.8689  764.535  200.416  936.535  172.382 -172.0002 264.3528 
1 1 1   28   16   14 o  817.659  123.209   11.022   3.0566   11.770   4.0554   10.038   4.6509  831.849  161.517  756.500  195.079 75.34845 253.2655 
1 1 1   28   16   16 o  479.384  154.380   3.7602   2.6337   0.8358   3.7198   6.6998   3.7294  408.830  171.706  621.434  180.777 -212.6035 249.3258 
1 1 1   28   16   18 o  391.643  150.979   1.8459   2.6180   2.4954   3.7285   1.2143   3.6769  456.884  179.043  415.610  172.328 41.27408 248.5023 
1 1 1   28   16   20 o  383.588  156.587   1.2427   2.9746 -12.8980   9.1759   2.9033   3.1444  429.029  209.313  450.049  167.245 -21.01999 267.9228 
1 1 1   28   16   22 o  585.454  175.836   6.1030   3.4825   2.2487   9.7467   6.6671   3.7286  599.423  264.726  609.177  181.714 -9.754395 321.0917 
1 1 1   28   16   24 o  794.763  165.869   11.304   3.9944   4.1731   11.731   12.240   4.2482  645.123  287.370  825.326  170.044 -180.2028 333.9108 
1 1 1   28   16   26 o  373.554  157.486   0.9114   3.1484 -10.2973   10.920   1.9275   3.2880  476.047  231.374  410.750  165.740 65.29733 284.6111 
1 1 1   28   16   28 o  355.429  144.480   1.3017   2.5189   2.5645   3.4981  -0.0582   3.6302  433.373  172.281  365.172  161.402 68.20099 236.0749 
1 1 1   28   17    1 o  351.401  148.859   0.1827   2.8347  -0.8286   3.7209   1.5814   4.3759  374.211  164.482  467.791  190.322 -93.58069 251.5495 
1 1 1   28   17    3 o  830.119  148.446   11.366   3.7169   14.397   4.7777   6.7190   5.9158  930.558  170.243  663.279  231.557 267.2793 287.4039 
1 1 1   28   17    5 o  343.833  143.843   0.4133   2.5945   0.0903   3.5972   0.7635   3.7456  389.620  166.452  415.412  173.227 -25.79202 240.2372 
1 1 1   28   17    7 f  521.038  164.525   4.3807   3.0024   3.5409   3.9628   5.5124   4.6004  510.709  188.142  595.459  204.404 -84.75037 277.8099 
1 1 1   28   17    9 f  794.615  144.378   10.498   3.4600   7.2897   4.5575   14.864   5.3160  657.787  201.916  933.823  188.304 -276.0364 276.0950 
1 1 1   28   17   11 o  459.274  150.969   3.3295   2.5120   3.2569   3.5792   3.4000   3.5264  485.692  178.822  489.479  177.908 -3.786957 252.2471 
1 1 1   28   17   13 o  224.311  106.298  -2.3185   1.9968  -2.7001   2.8205  -1.9351   2.8275  275.967  129.396  292.227  134.424 -16.26068 186.5831 
1 1 1   28   17   15 o  563.823  154.577   5.4186   2.8105   3.8801   3.7346   7.4280   4.2679  509.260  183.383  653.672  194.281 -144.4120 267.1604 
1 1 1   28   17   17 f  530.885  149.835   4.8024   2.5995   3.9596   3.4846   5.8599   3.9034  504.199  177.606  586.269  187.857 -82.06976 258.5231 
1 1 1   28   17   19 o  313.231  135.640  -0.1038   2.4510  -3.1236   3.2392   3.9409   3.7489  291.973  137.459  506.851  183.555 -214.8778 229.3194 
1 1 1   28   17   21 o  277.680  125.501  -1.0340   2.3291   3.1912   3.5573  -4.2044   3.0815  471.984  177.395  263.721  126.875 208.2632 218.0965 
1 1 1   28   17   23 o  238.103  115.107  -3.8746   2.6130  -4.7438   10.281  -3.8146   2.7017  525.059  246.466  244.906  118.060 280.1533 273.2831 
1 1 1   28   17   25 o  440.325  170.861   2.6375   3.3700   13.449   9.2694   0.9909   3.6175  785.240  287.978  398.146  168.384 387.0946 333.5933 
1 1 1   28   18    0 o  410.012  169.885   0.8361   3.5697   1.5887   3.8474  -3.8203   9.5701  445.221  179.412  562.731  254.358 -117.5093 311.2662 
1 1 1   28   18    2 o  487.174  166.393   3.5693   3.0479   2.2118   3.8921   5.7218   4.9011  465.737  182.805  611.393  210.915 -145.6560 279.1113 
1 1 1   28   18    4 o  818.594  133.369   10.986   3.3008   8.8473   4.4042   13.728   4.9859  722.065  191.616  902.645  182.676 -180.5800 264.7395 
1 1 1   28   18    6 o  532.464  173.102   4.5197   3.3059  -0.5634   4.2311   12.486   5.2969  404.373  176.624  853.073  201.508 -448.6999 267.9577 
1 1 1   28   18    8 o  320.448  141.559  -0.7298   2.7888  -0.7348   4.0081  -0.7251   3.8829  388.499  170.739  382.354  168.044 6.144684 239.5632 
1 1 1   28   18   10 o  324.466  141.952  -0.4590   2.7429  -1.8360   3.9851   0.7806   3.7810  362.746  164.034  414.530  173.552 -51.78430 238.8047 
1 1 1   28   18   12 o  470.486  166.251   3.2813   3.0556  -2.3751   3.8502   12.905   5.0222  344.083  157.754  863.636  190.800 -519.5533 247.5703 
1 1 1   28   18   14 o  302.708  136.813  -1.3049   2.7680  -2.9574   3.7892   0.5860   4.0533  329.064  152.860  419.181  177.811 -90.11783 234.4846 
1 1 1   28   18   16 o  208.007  101.768  -4.1315   2.2141  -5.1614   2.7092  -2.0600   3.8421  227.958  111.748  347.698  158.725 -119.7407 194.1166 
1 1 1   28   18   18 o  556.188  154.662   5.3085   2.7912   4.0579   3.6021   7.1879   4.4159  510.118  180.480  640.556  199.108 -130.4373 268.7322 
1 1 1   28   18   20 o  421.747  153.904   2.5615   2.6428   2.5106   3.1997   2.6707   4.6876  438.364  167.425  492.006  198.117 -53.64240 259.3868 
1 1 1   28   18   22 o  1181.61  152.031   23.820   5.4945   16.029   12.044   25.867   6.1745  863.865  326.042  1223.08  165.473 -359.2169 365.6292 
1 1 1   28   18   24 o  354.000  147.374   0.8227   2.7046  -4.3125   3.6591   7.0067   4.0154  293.846  140.551  620.254  189.381 -326.4079 235.8383 
1 1 1   28   19    1 o  547.972  187.576   4.5730   3.8734   9.0284   4.2174 -19.4490   9.7927  730.674  184.342  422.155  208.028 308.5192 277.9522 
1 1 1   28   19    3 o  655.427  195.594   7.1787   4.3193   7.1787   4.3193   0.0000   0.0000  655.427  195.594  ?   ?  0.000000 195.5941 
1 1 1   28   19    5 o  811.189  156.778   10.983   3.8381   15.424   5.4995   6.7650   5.3591  953.739  190.814  651.151  220.645 302.5881 291.7094 
1 1 1   28   19    7 o  1064.76  128.328   18.430   4.1923   24.101   5.9670   12.903   5.8912  1207.69  161.866  861.383  218.178 346.3038 271.6654 
1 1 1   28   19    9 o  670.354  167.546   7.6336   3.5072   7.5387   4.9298   7.7308   4.9905  669.225  210.762  676.636  211.889 -7.410889 298.8607 
1 1 1   28   19   11 o  555.966  171.905   5.1227   3.2966  -0.3234   4.0672   15.553   5.6284  399.577  173.879  949.933  195.735 -550.3558 261.8132 
1 1 1   28   19   13 o  386.107  155.817   1.2444   2.9065  -0.2109   3.8255   3.2317   4.4704  389.481  169.057  511.016  197.207 -121.5348 259.7518 
1 1 1   28   19   15 o  476.817  168.696   3.4116   3.1470   6.1960   4.3636   0.3936   4.5430  608.029  198.935  435.411  186.562 172.6182 272.7283 
1 1 1   28   19   17 o  537.295  168.080   4.8423   3.1411   4.1113   4.3040   5.6755   4.5948  530.394  195.951  589.613  204.172 -59.21863 282.9890 
1 1 1   28   19   19 o  783.968  133.797   10.318   3.1666   5.6439   3.9666   18.530   5.2580  577.399  189.705  1039.96  167.130 -462.5598 252.8244 
1 1 1   28   19   21 o  715.838  162.335   8.9474   3.5549   9.8615   4.4996   7.4291   5.7989  740.144  192.378  652.266  229.170 87.87769 299.2129 
1 1 1   28   19   23 o  308.373  135.593  -0.3785   2.5306  -4.4550   3.0980   7.7962   4.3871  260.592  125.818  654.608  197.526 -394.0161 234.1937 
1 1 1   28   20    0 o  369.401  162.372  -0.7756   3.6262   0.4103   3.8663  -9.4456   10.454  411.772  174.108  525.154  247.148 -113.3823 302.3174 
1 1 1   28   20    2 o  943.718  160.976   14.765   4.5862   15.421   4.9413   10.690   12.320  961.993  170.273  855.829  328.131 106.1644 369.6793 
1 1 1   28   20    4 o  745.176  210.638   9.4829   5.1332   7.3698   5.7392   17.934   11.477  677.030  228.342  998.175  322.368 -321.1448 395.0454 
1 1 1   28   20    6 o  1124.01  161.833   20.889   5.5316   17.400   6.1759   35.043   12.439  1009.44  202.435  1392.12  294.549 -382.6821 357.4058 
1 1 1   28   20    8 o  715.636  206.813   8.7686   4.8954   6.6744   5.3787   18.875   11.816  646.254  221.039  1010.56  327.163 -364.3036 394.8338 
1 1 1   28   20   10 o  594.651  209.058   5.4535   4.8261   3.8465   5.3220   12.890   11.449  557.315  215.146  872.292  320.026 -314.9765 385.6219 
1 1 1   28   20   12 o  694.643  212.178   8.2906   5.0396   7.7863   5.6559   10.234   11.102  681.850  226.649  809.393  311.213 -127.5428 384.9977 
1 1 1   28   20   14 o  481.794  184.958   2.8709   3.9176   4.6483   4.1580 -11.1776   11.690  549.807  193.974  532.891  253.867 16.91632 319.4906 
1 1 1   28   20   16 o  791.361  200.458   11.037   4.9728   11.037   4.9728   0.0000   0.0000  791.361  200.458  ?   ?  0.000000 200.4585 
1 1 1   28   20   18 o  582.783  196.097   5.6345   4.2327   6.0672   4.5179   2.5282   12.105  602.231  202.596  679.781  297.784 -77.54987 360.1674 
1 1 1   28   20   20 o  612.704  197.642   6.4946   4.3152   7.3265   4.6120   0.6488   12.226  645.490  203.920  649.396  291.015 -3.904968 355.3494 
1 1 1   28   21    1 o  595.955  197.635   5.6216   4.3014   2.5719   4.5964   27.121   12.204  502.635  198.219  1220.37  316.644 -717.7341 373.5700 
1 1 1   28   21    3 o  392.677  164.500   0.5719   3.3999  -0.0232   3.5338   7.9772   12.466  383.090  164.354  809.287  324.066 -426.1970 363.3612 
1 1 1   28   21    5 o  597.173  205.002   5.5307   4.6274   4.5496   4.9532   12.261   12.973  571.989  210.399  889.638  337.755 -317.6494 397.9277 
1 1 1   28   21    7 o  756.264  216.058   9.8249   5.3712   10.848   5.7985   3.6427   14.256  792.126  223.860  770.799  330.383 21.32715 399.0817 
1 1 1   28   21    9 o  459.320  195.564   0.4973   4.9351   2.9094   5.3381 -13.6943   12.948  533.834  212.631  555.349  265.286 -21.51550 339.9830 
1 1 1   28   21   11 o  428.945  189.829  -1.0856   5.0371  -2.4887   5.5913   4.9586   11.605  427.555  193.733  729.778  304.663 -302.2230 361.0433 
1 1 1   28   21   13 o  430.524  194.911  -2.3820   5.6456  -2.3820   5.6456   0.0000   0.0000  430.524  194.911  ?   ?  0.000000 194.9113 
1 1 1   28   21   15 o  911.430  228.293   14.840   6.5013   7.5970   7.5718   35.161   12.683  698.702  259.552  1360.33  305.250 -661.6238 400.6801 
1 1 1   28   21   17 o  504.203  186.006   3.6158   3.8754   4.6464   4.0801  -5.8885   12.390  546.060  192.202  595.443  276.539 -49.38232 336.7718 
1 1 1   28   22    0 o  511.189  195.249   3.1184   4.3518   1.5390   4.5824   17.634   13.892  473.880  194.003  1010.49  354.724 -536.6110 404.3096 
1 1 1   28   22    2 o  794.875  182.437   10.675   4.4446   10.675   4.4446   0.0000   0.0000  794.875  182.437  ?   ?  0.000000 182.4373 
1 1 1   28   22    4 o  413.287  170.895   0.9332   3.6017   2.0622   3.7010 -19.2694   15.656  452.573  178.061  591.852  285.039 -139.2795 336.0844 
1 1 1   28   22    6 o  694.291  191.574   8.1690   4.3007   7.3583   4.4955   16.920   14.770  663.136  199.917  992.946  363.614 -329.8090 414.9484 
1 1 1   28   22    8 o  369.126  167.626  -2.2040   4.2145  -2.7558   4.4181   3.3725   14.045  369.397  169.224  764.162  327.744 -394.7642 368.8533 
1 1 1   28   22   10 o  548.614  225.049   2.3872   6.1819   2.3872   6.1819   0.0000   0.0000  548.614  225.049  ?   ?  0.000000 225.0490 
1 1 1   28   22   12 o  459.874  201.371  -0.5892   5.5307   2.6755   6.2165 -12.9847   12.113  554.606  226.380  535.903  256.161 18.70264 341.8575 
1 1 1   28   22   14 f  532.073  229.728   0.4791   6.9891   0.4791   6.9891   0.0000   0.0000  532.073  229.728  ?   ?  0.000000 229.7281 
1 1 1   28   22   16 o  561.370  226.872   3.2290   6.1713   0.7069   6.9815   12.243   13.199  533.330  229.938  861.529  337.073 -328.1996 408.0313 
1 1 1   28   23    1 o  635.823  269.081   1.7864   9.2478 -13.4467   11.387   31.294   15.849  519.546  248.350  1292.44  371.718 -772.8937 447.0483 
1 1 1   28   23    3 o  453.923  179.135   2.0132   3.7564   1.8079   3.8633   5.5695   16.078  451.876  180.596  842.292  355.536 -390.4164 398.7739 
1 1 1   28   23    5 o  632.969  195.159   6.6046   4.2522   4.4963   4.4187   33.006   15.637  558.071  199.632  1322.23  365.478 -764.1635 416.4456 
1 1 1   28   23    7 o  384.891  165.829  -0.1357   3.6262  -0.2597   3.7440   1.7420   14.572  387.872  167.803  758.520  329.596 -370.6480 369.8529 
1 1 1   28   23    9 o  418.984  173.803   0.9251   3.7425  -0.0001   3.8805   13.234   14.155  400.773  172.092  918.622  351.829 -517.8489 391.6620 
1 1 1   28   23   11 o  346.030  155.519  -1.4731   3.5187  -2.0121   3.6389   6.2857   13.806  341.381  155.308  796.885  332.462 -455.5043 366.9496 
1 1 1   28   24    0 o  1492.22  367.968   41.217   17.085   0.0000   0.0000   41.217   17.085  ?   ?   1492.22  367.968 0.000000 367.9684 
1 1 1   28   24    2 o  1022.66  387.096   16.617   17.008   0.0000   0.0000   16.617   17.008  ?   ?   1022.66  387.096 0.000000 387.0964 
1 1 1   28   24    4 o  779.250  340.439   0.8928   15.727   0.0000   0.0000   0.8928   15.727  ?   ?   779.250  340.439 0.000000 340.4386 
1 1 1   28   24    6 o  725.700  197.866   8.9184   4.6199   8.9861   4.8865   8.3486   14.181  728.575  205.363  848.175  343.516 -119.5996 400.2213 
1 1 1   28   24    8 o  567.285  194.353   4.9382   4.1584   3.5722   4.3842   17.183   13.127  525.784  197.069  991.288  344.992 -465.5038 397.3106 
1 1 1   28   25    1 o  451.531  185.331   1.2669   4.1954   1.2669   4.1954   0.0000   0.0000  451.531  185.331  ?   ?  0.000000 185.3310 
1 1 1   28   25    3 o  473.972  226.621 -11.6962   9.4938  -7.3393   12.863 -16.9104   14.071  621.551  286.209  572.082  274.157 49.46881 396.3298 
1 1 1   29    0    1 o  246.160  157.946   0.1730   2.7641   0.1730   2.7641   0.1730   2.7641  246.160  157.946  246.160  157.946 -0.000000 0.000000 
1 1 1   29    0    3 o  1612.27  117.435   41.819   5.8563   41.819   5.8563   41.819   5.8563  1612.27  117.435  1612.27  117.435 -0.000000 0.000000 
1 1 1   29    0    5 o  413.994  198.249   4.0604   2.9570   4.0604   2.9570   4.0604   2.9570  413.994  198.249  413.994  198.249 -0.000000 0.000000 
1 1 1   29    0    7 f  866.841  244.513   14.703   5.7466   14.703   5.7466   14.703   5.7466  866.841  244.513  866.841  244.513 -0.000000 0.000000 
1 1 1   29    0    9 o  227.264  147.772  -0.1309   2.5280  -0.1309   2.5280  -0.1309   2.5280  227.264  147.772  227.264  147.772 -0.000000 0.000000 
1 1 1   29    0   11 o  340.577  183.009   2.6840   2.6926   2.6840   2.6926   2.6840   2.6926  340.577  183.009  340.577  183.009 -0.000000 0.000000 
1 1 1   29    0   13 o  1458.74  119.612   34.401   5.3790   34.401   5.3790   34.401   5.3790  1458.74  119.612  1458.74  119.612 -0.000000 0.000000 
1 1 1   29    0   15 o  496.229  216.944   5.7048   3.5094   5.7048   3.5094   5.7048   3.5094  496.229  216.944  496.229  216.944 -0.000000 0.000000 
1 1 1   29    0   17 o  912.980  152.737   14.328   3.9990   14.328   3.9990   14.328   3.9990  912.980  152.737  912.980  152.737 -0.000000 0.000000 
1 1 1   29    0   19 o  1049.28  155.664   18.687   4.7834   18.687   4.7834   18.687   4.7834  1049.28  155.664  1049.28  155.664 -0.000000 0.000000 
1 1 1   29    0   21 o  420.873  218.026   4.2731   3.7101   4.2731   3.7101   4.2731   3.7101  420.873  218.026  420.873  218.026 -0.000000 0.000000 
1 1 1   29    0   23 o  254.338  168.563  -0.6995   3.5364  -0.6995   3.5364  -0.6995   3.5364  254.338  168.563  254.338  168.563 -0.000000 0.000000 
1 1 1   29    0   25 f  298.515  186.326   1.1110   3.5558   1.1110   3.5558   1.1110   3.5558  298.515  186.326  298.515  186.326 -0.000000 0.000000 
1 1 1   29    0   27 o  555.104  220.650   7.0504   3.7033   7.0504   3.7033   7.0504   3.7033  555.104  220.650  555.104  220.650 -0.000000 0.000000 
1 1 1   29    0   29 f  207.579  143.437  -2.2259   3.1536  -2.2259   3.1536  -2.2259   3.1536  207.579  143.437  207.579  143.437 -0.000000 0.000000 
1 1 1   29    0   31 f  334.648  198.754   2.3408   3.6295   2.3408   3.6295   2.3408   3.6295  334.648  198.754  334.648  198.754 -0.000000 0.000000 
1 1 1   29    0   33 o  643.989  236.868   9.4026   4.4176   9.4026   4.4176   9.4026   4.4176  643.989  236.868  643.989  236.868 -0.000000 0.000000 
1 1 1   29    0   35 o  268.216  177.024  -0.2844   3.8354  -0.2844   3.8354  -0.2844   3.8354  268.216  177.024  268.216  177.024 -0.000000 0.000000 
1 1 1   29    0   37 o  774.969  243.486   12.985   5.1883   12.985   5.1883   12.985   5.1883  774.969  243.486  774.969  243.486 -0.000000 0.000000 
1 1 1   29    1    0 o  691.007  127.319   7.9141   2.6533   8.2157   4.4191   7.7441   3.3179  690.839  195.495  675.421  159.443 15.41791 252.2703 
1 1 1   29    1    2 o  826.205   95.711   10.997   2.4302   10.095   3.3456   12.006   3.5361  778.120  142.564  851.990  137.207 -73.87036 197.8646 
1 1 1   29    1    4 o  1101.56   85.948   19.359   2.9411   17.932   4.1062   20.861   4.2147  1048.11  127.761  1133.90  120.555 -85.79089 175.6598 
1 1 1   29    1    6 o  359.396  139.613   1.3833   2.2520  -0.4828   4.0967   2.1914   2.6958  397.128  173.619  413.350  154.609 -16.22183 232.4805 
1 1 1   29    1    8 o  210.706  100.300  -2.2750   1.8171  -0.3951   2.6014  -4.0664   2.5394  316.910  138.455  233.035  112.861 83.87531 178.6269 
1 1 1   29    1   10 o  457.406  132.005   3.4698   1.9956  -0.5305   2.9327   6.9194   2.7233  333.008  146.207  640.927  139.648 -307.9192 202.1833 
1 1 1   29    1   12 f  223.109  103.565  -1.4557   1.7343  -1.6356   2.6759  -1.3254   2.2774  288.856  132.096  268.979  122.561 19.87720 180.1962 
1 1 1   29    1   14 o  1264.56   85.832   25.555   3.3785   26.423   4.9906   24.820   4.5903  1270.97  127.105  1234.21  120.307 36.76343 175.0129 
1 1 1   29    1   16 o  916.912   97.350   13.592   2.7522   14.923   4.1465   12.544   3.6797  944.286  144.860  865.930  140.527 78.35620 201.8220 
1 1 1   29    1   18 f  451.976  141.023   3.3633   2.2129   4.1121   3.2210   2.6940   3.0453  505.334  171.061  442.579  164.564 62.75443 237.3671 
1 1 1   29    1   20 o  800.549  111.095   10.568   2.7098   8.6010   3.7613   12.691   3.9072  698.485  172.902  862.285  150.166 -163.7996 229.0082 
1 1 1   29    1   22 o  548.777  143.736   5.2508   2.4993   4.7524   3.3766   5.8548   3.7169  526.408  175.131  574.693  183.225 -48.28503 253.4605 
1 1 1   29    1   24 o  1623.45  103.721   43.523   5.2450   43.683   6.1844   43.112   9.8997  1609.08  123.691  1493.55  218.113 115.5291 250.7447 
1 1 1   29    1   26 o  841.439  138.207   12.582   3.5149   7.5728   5.4333   16.188   4.6095  607.714  220.840  935.933  163.221 -328.2188 274.6114 
1 1 1   29    1   28 o  859.087  146.827   13.627   3.8078   13.584   6.3323   13.651   4.7657  754.902  238.993  818.650  189.635 -63.74799 305.0889 
1 1 1   29    1   30 o  470.320  172.156   4.3509   3.3104  -6.5158   5.2867   11.360   4.2458  318.662  156.191  732.786  185.010 -414.1238 242.1243 
1 1 1   29    1   32 o  321.291  146.906  -0.4027   3.3079   4.5161   4.8494  -4.6834   4.5238  467.420  196.169  303.423  147.798 163.9972 245.6147 
1 1 1   29    1   34 o  347.984  152.226   1.3108   3.1536   2.7788   5.1274   0.4175   3.9996  415.439  187.127  351.009  160.877 64.43066 246.7749 
1 1 1   29    1   36 o  358.934  159.807   1.8478   3.6230   6.1161   5.2675  -1.9842   4.9910  457.461  198.472  327.768  158.612 129.6928 254.0647 
1 1 1   29    2    1 f  1631.85   92.849   42.450   4.7247   39.445   8.0637   44.022   5.8303  1540.95  169.947  1654.78  113.201 -113.8307 204.1971 
1 1 1   29    2    3 o  1174.46   84.756   21.976   3.0960   20.086   4.4249   23.788   4.3334  1109.58  129.810  1213.48  115.435 -103.8997 173.7124 
1 1 1   29    2    5 o  295.672  128.251  -0.2341   2.1986   1.9315   4.4807  -0.9208   2.5232  475.181  192.867  297.476  132.835 177.7049 234.1857 
1 1 1   29    2    7 o  865.241   97.812   12.070   2.6035   9.7635   3.7375   14.244   3.6287  758.472  162.277  932.126  127.680 -173.6537 206.4844 
1 1 1   29    2    9 o  200.086   96.167  -2.5460   1.7596  -1.1044   2.6165  -3.7364   2.3776  298.375  134.103  226.793  109.680 71.58197 173.2436 
1 1 1   29    2   11 o  513.412  130.255   4.4298   2.0973   4.6359   3.0912   4.2540   2.8549  529.729  166.905  508.815  160.408 20.91388 231.4906 
1 1 1   29    2   13 o  1131.67   86.182   20.481   3.0309   22.171   4.4675   19.040   4.1256  1164.92  124.401  1078.65  124.432 86.27332 175.9508 
1 1 1   29    2   15 o  889.294  112.703   12.918   3.0679   9.5110   5.2728   14.661   3.7722  732.031  215.530  941.593  131.532 -209.5616 252.4954 
1 1 1   29    2   17 o  376.934  146.083   1.6122   2.4611   1.4305   4.1107   1.7137   3.0726  442.110  182.673  407.882  161.681 34.22821 243.9468 
1 1 1   29    2   19 o  833.411  124.208   11.538   3.1423   11.923   5.3489   11.335   3.8831  811.349  209.197  812.264  158.361 -0.9150391 262.3773 
1 1 1   29    2   21 o  533.625  155.650   4.9301   2.7614   6.8678   4.7043   3.9114   3.4109  622.378  206.696  495.704  175.598 126.6750 271.2159 
1 1 1   29    2   23 o  325.622  139.453   0.2647   2.5361   2.9941   4.1465  -1.3665   3.2056  474.258  187.874  320.309  145.740 153.9494 237.7746 
1 1 1   29    2   25 o  870.456  129.542   13.141   3.4232   7.6259   6.0407   15.750   4.1547  619.242  231.473  943.062  145.368 -323.8204 273.3344 
1 1 1   29    2   27 o  382.583  155.973   1.7598   2.9465   7.4232   4.9742  -1.3017   3.6571  595.272  211.928  333.865  153.320 261.4070 261.5731 
1 1 1   29    2   29 o  329.826  147.956  -0.2031   3.1687   1.2385   4.9702  -1.1904   4.1129  420.185  187.119  348.210  160.874 71.97552 246.7671 
1 1 1   29    2   31 o  662.694  178.474   9.3884   3.7861   6.9227   6.4217   10.702   4.6875  534.023  225.016  676.467  204.189 -142.4444 303.8506 
1 1 1   29    2   33 o  376.115  172.430   0.6428   4.5989   0.0000   0.0000   0.6428   4.5989  ?   ?   376.115  172.430 0.000000 172.4298 
1 1 1   29    2   35 o  388.968  167.324   2.7269   3.6803   0.1952   5.6050   4.6456   4.8795  374.410  177.620  441.164  191.211 -66.75388 260.9800 
1 1 1   29    3    0 o  877.003   99.222   12.393   2.6768   10.131   3.8291   14.555   3.7435  773.700  163.191  942.400  130.350 -168.7000 208.8596 
1 1 1   29    3    2 o  606.096  133.871   6.1459   2.4728  -3.2809   3.9176   12.389   3.1882  332.129  154.665  871.331  120.042 -539.2021 195.7839 
1 1 1   29    3    4 o  1210.72  128.256   23.843   4.7882   17.234   6.9409   29.844   6.6140  987.985  228.856  1342.77  160.487 -354.7882 279.5197 
1 1 1   29    3    6 o  402.334  137.656   2.4345   2.0861   1.0079   2.9100   3.9425   2.9920  378.989  154.814  498.418  164.809 -119.4298 226.1174 
1 1 1   29    3    8 o  665.764  137.358   7.4255   2.7684   9.5080   3.2280   1.6338   5.3833  754.125  141.909  499.801  207.982 254.3232 251.7835 
1 1 1   29    3   10 o  481.254  134.540   3.8658   2.1063   6.8401   3.1575   1.4810   2.8273  633.420  159.339  390.710  155.023 242.7099 222.3082 
1 1 1   29    3   12 o  410.728  173.419   0.6397   3.8269   0.0000   0.0000   0.6397   3.8269  ?   ?   410.728  173.419 0.000000 173.4190 
1 1 1   29    3   14 o  407.402  145.471   2.3898   2.3453   0.1582   4.0367   3.5270   2.8816  407.309  175.226  475.050  161.792 -67.74060 238.4972 
1 1 1   29    3   16 o  622.051  142.918   6.5722   2.7253   4.1552   4.7024   7.7945   3.3441  542.657  203.957  673.464  160.801 -130.8069 259.7219 
1 1 1   29    3   18 o  860.881  117.836   12.202   3.0930   9.5435   5.3893   13.508   3.7770  728.817  218.705  898.549  138.709 -169.7325 258.9828 
1 1 1   29    3   20 f  1011.50  110.394   16.763   3.4397   13.576   6.2088   18.175   4.1317  852.537  228.107  1045.57  128.931 -193.0326 262.0232 
1 1 1   29    3   22 o  662.810  142.669   7.6340   2.8733   3.8280   4.9986   9.5120   3.5114  524.224  206.718  734.884  157.342 -210.6600 259.7863 
1 1 1   29    3   24 o  921.427  125.171   14.493   3.5180   8.8464   6.2989   17.052   4.2411  664.095  238.265  990.364  140.720 -326.2697 276.7169 
1 1 1   29    3   26 f  556.101  182.277   5.9444   3.6628   6.2883   5.4891   5.6684   4.9179  569.823  218.892  548.620  208.034 21.20343 301.9798 
1 1 1   29    3   28 o  520.643  190.972   5.3509   4.0766  -0.1800   5.5699   11.732   5.9825  416.765  190.586  706.800  233.013 -290.0358 301.0284 
1 1 1   29    3   30 o  575.628  171.184   6.8347   3.3127   0.3720   5.9214   9.7790   3.9967  421.253  194.056  679.425  183.534 -258.1720 267.1002 
1 1 1   29    3   32 o  460.385  178.504   4.3909   3.6760   0.5765   5.7230   7.0698   4.7961  406.032  188.354  538.123  205.109 -132.0916 278.4718 
1 1 1   29    3   34 o  816.000  159.782   13.990   3.9365   9.7492   6.8812   16.053   4.7994  544.401  231.336  832.803  188.445 -288.4014 298.3760 
1 1 1   29    3   36 o  422.235  189.645   4.2508   5.2230   2.2679   6.6266   7.5034   8.4868  401.448  191.217  460.842  218.606 -59.39468 290.4352 
1 1 1   29    4    1 o  672.264  112.917   7.4099   2.2927   4.3777   3.2975   10.247   3.1898  524.258  173.001  787.241  134.217 -262.9826 218.9600 
1 1 1   29    4    3 o  541.396  166.553   4.8351   3.0990   0.0000   0.0000   4.8351   3.0990  ?   ?   541.396  166.553 0.000000 166.5532 
1 1 1   29    4    5 o  1005.67   91.161   16.187   2.8395   13.945   4.1674   18.130   3.8793  915.404  150.631  1056.98  119.299 -141.5775 192.1502 
1 1 1   29    4    7 o  525.008  132.082   4.6197   2.1694   4.7184   3.0130   4.5135   3.1262  534.207  164.208  526.349  168.061 7.858093 234.9659 
1 1 1   29    4    9 o  1316.35   98.951   27.776   4.0487   26.722   5.0133   29.753   6.8656  1281.57  126.583  1334.70  167.998 -53.13977 210.3486 
1 1 1   29    4   11 o  1180.37  102.478   22.422   3.7500   22.979   7.2890   22.222   4.3732  1148.39  210.460  1168.78  121.259 -20.39001 242.8933 
1 1 1   29    4   13 o  760.275  170.178   9.9270   3.9503   6.8163   6.5279   11.724   4.9619  659.666  241.708  818.360  196.182 -158.6934 311.3041 
1 1 1   29    4   15 o  1373.18   98.338   30.285   4.2003   31.119   7.4443   29.896   5.0874  1353.68  180.097  1355.55  121.134 -1.868652 217.0449 
1 1 1   29    4   17 o  851.067  119.481   11.922   3.0963   9.5433   5.3599   13.114   3.7933  731.396  217.800  885.137  141.639 -153.7414 259.8044 
1 1 1   29    4   19 f  864.084  117.303   12.316   3.0918   3.9550   5.4562   16.270   3.7523  550.698  216.349  992.627  123.388 -441.9293 249.0613 
1 1 1   29    4   21 o  730.640  137.404   9.1188   3.0282   14.668   5.6014   6.8273   3.5995  893.648  204.590  619.155  176.864 274.4926 270.4402 
1 1 1   29    4   23 o  1092.16  111.866   19.849   3.7716   14.875   6.8068   22.053   4.5308  853.828  242.979  1140.93  129.093 -287.1029 275.1436 
1 1 1   29    4   25 o  915.560  129.656   14.536   3.6131   9.5950   6.1856   17.094   4.4515  673.999  236.695  978.830  150.021 -304.8305 280.2337 
1 1 1   29    4   27 o  591.295  167.130   6.7508   3.2318   10.056   5.7784   5.2464   3.8985  670.268  229.105  522.870  187.463 147.3976 296.0262 
1 1 1   29    4   29 o  446.379  175.904   3.4304   3.6173   0.1881   5.7977   5.4969   4.6287  422.646  193.703  519.445  200.610 -96.79932 278.8641 
1 1 1   29    4   31 o  407.495  156.238   2.9478   2.7932   5.4116   3.8343   0.1618   4.0773  502.875  185.095  364.379  165.241 138.4959 248.1223 
1 1 1   29    4   33 o  393.632  155.422   2.8051   2.8291   6.3611   3.9771  -0.8370   4.0251  518.745  188.878  335.532  156.424 183.2136 245.2408 
1 1 1   29    4   35 o  456.973  196.604   5.3122   5.0823   11.958   6.4370  -5.6885   8.2814  585.011  233.344  367.186  182.731 217.8253 296.3782 
1 1 1   29    5    0 o  646.052  120.578   6.8904   2.3495   7.3922   3.4091   6.4364   3.2426  660.133  165.294  616.874  164.758 43.25909 233.3826 
1 1 1   29    5    2 o  677.244  113.604   7.5181   2.3238   9.3829   3.2464   5.5588   3.3278  750.189  143.430  576.906  171.574 173.2828 223.6288 
1 1 1   29    5    4 o  1166.63   87.199   21.694   3.1623   18.123   4.4740   25.260   4.4705  1050.74  139.424  1251.42  115.386 -200.6776 180.9781 
1 1 1   29    5    6 o  945.154   94.660   14.338   2.7638   13.743   4.0550   14.854   3.7770  909.649  147.409  952.173  130.084 -42.52411 196.5993 
1 1 1   29    5    8 o  506.968  130.385   4.3019   2.0815   4.7720   3.2252   3.9663   2.7249  539.253  170.546  494.414  156.804 44.83875 231.6753 
1 1 1   29    5   10 o  459.802  163.011   3.1054   2.9400   8.6428   4.8236  -0.1675   3.7084  705.844  205.670  385.083  166.799 320.7611 264.8057 
1 1 1   29    5   12 o  762.235  164.843   9.9118   3.8199   7.6130   6.0443   11.441   4.9290  677.618  234.199  809.481  196.451 -131.8635 305.6830 
1 1 1   29    5   14 f  356.293  142.440   1.1364   2.4041   1.4485   4.2578   0.9904   2.9129  450.885  186.074  377.247  154.585 73.63818 241.9094 
1 1 1   29    5   16 o  707.330  133.271   8.3770   2.8434   7.8714   5.1011   8.6050   3.4248  674.010  214.625  709.360  158.216 -35.35022 266.6385 
1 1 1   29    5   18 o  595.710  174.951   6.1234   3.4781   0.0000   0.0000   6.1234   3.4781  ?   ?   595.710  174.951 0.000000 174.9508 
1 1 1   29    5   20 o  443.394  157.794   2.9877   2.7573  -3.9373   5.2327   5.6497   3.2442  379.320  177.343  570.012  169.379 -190.6913 245.2342 
1 1 1   29    5   22 o  301.215  135.783  -0.9983   2.7059  -6.6516   5.0496   1.2790   3.2049  331.425  160.171  391.363  161.465 -59.93845 227.4329 
1 1 1   29    5   24 o  962.925  126.394   15.862   3.7189   15.100   6.6881   16.204   4.4744  848.687  240.620  953.995  155.117 -105.3085 286.2853 
1 1 1   29    5   26 o  608.357  149.693   6.8174   2.8321   12.797   4.1505   1.6076   3.8741  827.155  166.021  412.369  174.318 414.7863 240.7279 
1 1 1   29    5   28 o  260.115  121.076  -1.5643   2.3966  -5.6882   3.3726   2.6422   3.4063  251.092  123.409  421.547  169.187 -170.4555 209.4134 
1 1 1   29    5   30 o  258.089  121.095  -1.7482   2.4773   0.2187   3.5066  -3.7081   3.5004  350.564  156.565  279.353  134.596 71.21173 206.4674 
1 1 1   29    5   32 o  408.008  155.082   3.0722   2.7370   6.6914   3.7962  -0.8460   3.9499  544.453  185.699  337.670  156.583 206.7831 242.9042 
1 1 1   29    5   34 o  516.799  195.604   6.7772   4.3426   6.7772   4.3426   0.0000   0.0000  516.799  195.604  ?   ?  0.000000 195.6037 
1 1 1   29    5   36 o  326.178  151.539   0.0348   3.7259  -7.1035   6.4534   3.6040   4.5633  317.927  158.711  409.411  180.957 -91.48380 240.6963 
1 1 1   29    6    1 o  907.157  112.294   13.327   3.1216   13.962   6.3415   13.124   3.5862  892.325  226.553  894.567  131.992 -2.241516 262.1991 
1 1 1   29    6    3 o  772.457  106.582   9.6809   2.5093   9.3181   3.6965   9.9909   3.4172  742.300  163.458  774.006  146.360 -31.70581 219.4080 
1 1 1   29    6    5 o  1112.34   87.729   19.736   3.0308   19.356   4.3535   20.094   4.2219  1089.56  130.185  1112.64  123.253 -23.07397 179.2745 
1 1 1   29    6    7 o  445.782  136.917   3.2266   2.0952   1.0524   3.1357   4.9801   2.8161  391.936  160.472  545.493  156.632 -153.5565 224.2430 
1 1 1   29    6    9 o  865.219  114.545   12.190   3.0270   13.164   5.7614   11.818   3.5575  865.931  213.770  844.154  139.460 21.77740 255.2382 
1 1 1   29    6   11 o  748.187  157.383   9.4801   3.5703   4.9879   5.8325   12.172   4.5150  599.009  226.696  843.458  176.615 -244.4499 287.3743 
1 1 1   29    6   13 o  959.955  111.348   14.960   3.2848   15.210   6.2931   14.867   3.8510  925.984  220.252  949.837  133.141 -23.85333 257.3660 
1 1 1   29    6   15 o  297.284  128.697  -0.1752   2.2052  -0.1665   4.1549  -0.1786   2.6020  405.558  176.111  322.736  139.755 82.82193 224.8257 
1 1 1   29    6   17 o  1349.05   99.020   29.285   4.1536   31.512   7.3232   28.229   5.0433  1362.02  175.815  1314.36  124.006 47.65735 215.1478 
1 1 1   29    6   19 o  1173.65  109.075   22.439   3.9626   15.592   6.8006   25.959   4.8759  913.877  236.007  1255.31  125.738 -341.4364 267.4118 
1 1 1   29    6   21 o  722.190  149.675   9.0671   3.2735   12.796   5.9318   7.4341   3.9253  819.299  224.547  641.533  185.132 177.7662 291.0247 
1 1 1   29    6   23 o  441.570  151.674   3.2264   2.5332   4.7393   3.5875   1.7220   3.5775  521.544  180.420  416.137  171.010 105.4069 248.5881 
1 1 1   29    6   25 o  626.659  142.602   7.0636   2.7352   8.8147   3.8335   5.2477   3.9038  679.883  177.984  533.868  187.994 146.0157 258.8827 
1 1 1   29    6   27 o  855.573  122.842   12.800   3.1966   16.983   4.4919   8.5083   4.5499  960.232  154.647  639.119  202.609 321.1127 254.8846 
1 1 1   29    6   29 o  592.574  164.875   6.9565   3.1711   8.5170   4.1791   4.8386   4.8685  632.080  193.242  503.175  202.155 128.9050 279.6585 
1 1 1   29    6   31 o  340.083  146.595   0.9049   2.8366   1.4367   3.5744   0.0001   4.6621  378.972  163.955  380.033  173.999 -1.060455 239.0753 
1 1 1   29    6   33 o  605.516  161.176   7.7095   3.1099   15.525   4.3473  -0.4817   4.4507  863.353  166.848  355.642  165.359 507.7106 234.9085 
1 1 1   29    6   35 o  655.132  168.403   9.6395   3.4736   11.457   4.5538   7.1104   5.3716  662.083  201.572  498.549  207.633 163.5338 289.3833 
1 1 1   29    7    0 o  939.245   95.729   14.142   2.7760   11.046   4.0564   16.869   3.8072  809.907  165.542  1019.92  121.611 -210.0125 205.4099 
1 1 1   29    7    2 o  443.840  138.518   3.1654   2.1348  -0.4069   3.1830   6.0860   2.8781  352.535  153.609  601.360  152.594 -248.8253 216.5193 
1 1 1   29    7    4 f  488.086  147.717   3.9000   2.4509   7.2994   4.1592   2.0918   3.0335  655.931  190.939  424.206  162.777 231.7250 250.9068 
1 1 1   29    7    6 o  1010.78   94.511   16.366   2.9566   15.245   4.1816   17.488   4.1808  961.174  143.320  1034.43  132.090 -73.26001 194.9056 
1 1 1   29    7    8 o  573.633  129.815   5.5004   2.2773   3.3070   3.3038   7.4859   3.1434  479.912  172.519  665.563  153.904 -185.6518 231.1907 
1 1 1   29    7   10 o  465.203  158.633   3.3211   2.7702   5.2298   5.1309   2.5358   3.2912  592.039  214.690  449.600  170.257 142.4384 274.0058 
1 1 1   29    7   12 o  851.794  165.568   12.289   4.2569   11.262   6.0258   13.312   6.0147  797.907  229.122  867.591  220.837 -69.68335 318.2233 
1 1 1   29    7   14 o  791.909  139.047   10.453   3.3221   9.2731   6.6165   10.851   3.8414  733.675  245.185  800.592  158.844 -66.91644 292.1422 
1 1 1   29    7   16 o  257.383  121.840  -2.9132   2.6099  -3.2721   4.1454  -2.6775   3.3592  342.493  159.359  309.527  143.832 32.96649 214.6696 
1 1 1   29    7   18 o  649.384  147.772   7.2159   2.9372   4.9390   5.3388   8.2042   3.5173  577.698  217.283  687.759  165.361 -110.0610 273.0499 
1 1 1   29    7   20 o  747.580  143.356   9.5755   3.2337   3.8009   5.7451   12.253   3.9122  547.556  219.736  843.064  153.868 -295.5076 268.2524 
1 1 1   29    7   22 o  525.833  158.719   4.8732   2.8323  -2.6375   4.0629   11.974   3.9504  340.449  158.194  822.817  159.084 -482.3682 224.3500 
1 1 1   29    7   24 o  283.019  125.128  -0.3537   2.1834  -2.4719   3.1696   1.5592   3.0120  293.236  137.390  386.567  157.660 -93.33084 209.1235 
1 1 1   29    7   26 o  294.170  129.522  -0.1663   2.3159   0.2385   3.5056  -0.4798   3.0849  363.927  159.815  327.295  146.462 36.63245 216.7765 
1 1 1   29    7   28 o  443.797  158.904   3.5149   2.8003   7.6119   3.9449  -0.6465   3.9758  609.231  187.997  357.668  162.572 251.5630 248.5405 
1 1 1   29    7   30 o  431.192  181.772   2.6684   4.1938   2.6684   4.1938   0.0000   0.0000  431.192  181.772  ?   ?  0.000000 181.7722 
1 1 1   29    7   32 o  463.177  171.964   4.3744   3.3228   2.6085   5.3259   5.4998   4.2518  437.030  194.212  499.628  192.462 -62.59848 273.4225 
1 1 1   29    7   34 o  633.747  186.773   9.4776   3.9579   4.0707   5.8905   13.928   5.3440  450.643  201.971  724.576  217.864 -273.9325 297.0806 
1 1 1   29    8    1 o  552.120  150.223   5.0956   2.6662  -0.1594   5.0991   7.0730   3.1279  452.068  195.702  648.044  156.019 -195.9762 250.2816 
1 1 1   29    8    3 o  669.161  120.345   7.3699   2.4289   8.6643   3.5519   6.2330   3.3288  716.360  162.129  608.319  168.810 108.0416 234.0569 
1 1 1   29    8    5 o  582.159  136.983   5.6725   2.4554   3.3098   4.2201   6.8817   3.0190  509.313  192.812  639.068  152.916 -129.7548 246.0889 
1 1 1   29    8    7 o  330.493  130.898   1.0008   2.0125   4.5332   3.1316  -1.4843   2.6267  528.536  168.148  290.451  132.066 238.0853 213.8108 
1 1 1   29    8    9 o  530.752  138.378   4.7185   2.3234   5.4599   3.3028   3.9921   3.2689  571.872  171.123  507.196  172.324 64.67648 242.8556 
1 1 1   29    8   11 o  645.362  184.837   7.0976   3.9261   5.7314   5.6513   8.3723   5.4585  618.584  225.160  700.656  221.900 -82.07159 316.1275 
1 1 1   29    8   13 o  226.390  112.687  -7.7981   3.1562  -8.7667   4.8074  -7.0644   4.1842  305.730  149.659  292.469  142.393 13.26108 206.5754 
1 1 1   29    8   15 o  1186.00  117.471   22.837   4.3051   19.491   7.5145   24.472   5.2525  1041.59  235.881  1219.22  140.131 -177.6376 274.3654 
1 1 1   29    8   17 o  392.864  159.110   1.3101   3.0423   3.5916   4.9677  -0.0591   3.8485  532.040  207.170  392.063  169.871 139.9774 267.9099 
1 1 1   29    8   19 o  922.758  133.090   14.257   3.7343   12.674   6.2105   15.153   4.6735  822.662  231.391  936.307  165.458 -113.6454 284.4614 
1 1 1   29    8   21 o  645.368  154.550   7.3456   3.0819   2.2620   4.2617   12.919   4.4621  460.457  187.635  850.555  173.420 -390.0983 255.5029 
1 1 1   29    8   23 o  470.112  171.870   3.5653   3.2979   4.1822   5.9737   3.2948   3.9554  542.390  221.714  475.287  184.918 67.10263 288.7068 
1 1 1   29    8   25 o  624.287  159.090   7.2059   3.1189   10.107   5.9578   6.1106   3.6606  690.482  232.652  567.795  181.918 122.6865 295.3316 
1 1 1   29    8   27 o  344.382  142.414   1.1297   2.5015   5.6868   3.9955  -1.8082   3.2081  540.479  190.204  302.977  140.712 237.5023 236.5953 
1 1 1   29    8   29 o  358.144  149.595   1.3178   2.7999   1.3579   4.5274   1.2929   3.5630  414.133  181.746  384.023  164.901 30.10999 245.4057 
1 1 1   29    8   31 o  278.854  127.906  -0.9206   2.5350  -3.9401   4.6691   0.3415   3.0187  323.869  155.900  333.071  147.199 -9.202576 214.4112 
1 1 1   29    8   33 f  278.769  130.173  -1.3674   2.8055   4.3226   4.8801  -4.1762   3.4287  461.427  195.383  264.112  128.655 197.3147 233.9375 
1 1 1   29    9    0 o  536.823  149.945   4.7943   2.6174   12.688   5.2211   2.1447   3.0250  860.688  197.871  426.804  162.841 433.8839 256.2618 
1 1 1   29    9    2 o  1358.36   85.400   29.306   3.6139   25.833   5.2584   32.415   4.9750  1261.19  135.267  1421.60  112.686 -160.4108 176.0548 
1 1 1   29    9    4 o  771.065  107.489   9.6408   2.5246   8.5108   3.7978   10.536   3.3795  708.156  172.797  797.899  140.391 -89.74310 222.6397 
1 1 1   29    9    6 o  976.010  106.367   15.342   3.1981   18.118   5.5606   13.970   3.9093  1038.45  177.378  921.416  139.894 117.0335 225.9056 
1 1 1   29    9    8 o  919.965  114.113   13.716   3.2166   13.648   4.1423   13.819   5.1050  906.510  151.263  900.125  187.225 6.384460 240.6944 
1 1 1   29    9   10 o  565.291  153.401   5.3686   2.7846  -1.2249   3.7692   13.291   4.1317  364.668  162.632  893.212  153.243 -528.5442 223.4556 
1 1 1   29    9   12 o  821.105  155.401   11.314   3.8492   0.0000   0.0000   11.314   3.8492  ?   ?   821.105  155.401 0.000000 155.4014 
1 1 1   29    9   14 o  705.495  172.569   8.5380   3.7807   0.0000   0.0000   8.5380   3.7807  ?   ?   705.495  172.569 0.000000 172.5687 
1 1 1   29    9   16 o  595.058  176.787   6.0467   3.5345   0.0000   0.0000   6.0467   3.5345  ?   ?   595.058  176.787 0.000000 176.7869 
1 1 1   29    9   18 o  717.153  191.725   9.1627   4.3883   0.0000   0.0000   9.1627   4.3883  ?   ?   717.153  191.725 0.000000 191.7246 
1 1 1   29    9   20 o  323.092  151.240  -3.1154   3.8257   0.0000   0.0000  -3.1154   3.8257  ?   ?   323.092  151.240 0.000000 151.2398 
1 1 1   29    9   22 o  753.267  156.837   10.082   3.5790   10.253   5.1922   9.9270   4.9402  728.198  213.727  719.812  207.683 8.386841 298.0125 
1 1 1   29    9   24 o  301.001  138.211  -1.5186   2.9707  -2.1954   5.4330  -1.2299   3.5480  399.120  184.571  337.402  153.444 61.71738 240.0241 
1 1 1   29    9   26 o  639.034  193.343   8.1271   4.1991   4.8555   6.1466   10.990   5.7501  541.284  223.490  714.205  227.915 -172.9200 319.2071 
1 1 1   29    9   28 o  374.335  155.143   1.5186   2.9782  -0.5670   4.1812   3.6663   4.2430  368.123  167.091  471.747  189.006 -103.6238 252.2746 
1 1 1   29    9   30 o  765.471  154.944   11.229   3.5864   14.479   4.3878   4.6888   6.2249  856.881  169.537  508.322  218.109 348.5594 276.2507 
1 1 1   29    9   32 o  671.070  184.335   9.8014   3.9923   6.7103   4.4237   23.370   9.2682  540.927  198.857  834.568  289.919 -293.6410 351.5639 
1 1 1   29    9   34 o  346.771  151.447   1.1453   3.1101  -3.8997   4.3265   6.5399   4.4738  301.501  146.329  514.164  197.590 -212.6625 245.8741 
1 1 1   29   10    1 o  426.702  144.917   2.7417   2.3118   5.5872   3.9660   1.2773   2.8452  587.642  189.468  386.872  154.853 200.7701 244.6989 
1 1 1   29   10    3 o  640.139  141.661   6.8417   2.7644   3.5966   5.1067   8.1868   3.2877  547.000  210.865  698.602  154.406 -151.6019 261.3521 
1 1 1   29   10    5 o  552.024  149.446   5.0898   2.6465   6.5139   4.6585   4.4111   3.2159  631.735  205.491  525.815  170.719 105.9194 267.1546 
1 1 1   29   10    7 o  276.467  124.273  -1.0140   2.2478   0.0000   3.8789  -1.5266   2.7581  400.109  171.938  298.569  135.592 101.5404 218.9702 
1 1 1   29   10    9 o  678.142  137.624   7.6569   2.8225   9.0913   4.8853   6.9381   3.4580  727.875  205.398  640.313  169.729 87.56183 266.4511 
1 1 1   29   10   11 o  332.286  137.271   0.5857   2.3207   4.2039   3.6012  -1.9841   3.0349  523.886  180.791  305.597  140.091 218.2890 228.7158 
1 1 1   29   10   13 o  904.496  159.803   13.733   4.3604   0.0000   0.0000   13.733   4.3604  ?   ?   904.496  159.803 0.000000 159.8028 
1 1 1   29   10   15 o  593.094  182.319   5.9487   3.7142   0.0000   0.0000   5.9487   3.7142  ?   ?   593.094  182.319 0.000000 182.3194 
1 1 1   29   10   17 o  574.812  184.863   5.5994   3.7774   0.0000   0.0000   5.5994   3.7774  ?   ?   574.812  184.863 0.000000 184.8634 
1 1 1   29   10   19 o  731.755  177.898   9.5423   4.0366   0.0000   0.0000   9.5423   4.0366  ?   ?   731.755  177.898 0.000000 177.8978 
1 1 1   29   10   21 o  765.986  168.676   10.510   3.9362   2.4161   7.0219   14.219   4.7533  538.337  231.339  889.106  176.958 -350.7685 291.2588 
1 1 1   29   10   23 o  363.754  146.477   1.3860   2.5625   7.3130   3.4658  -5.7606   3.8058  630.177  171.195  279.589  136.050 350.5882 218.6723 
1 1 1   29   10   25 o  677.277  145.939   8.2522   3.0037   12.593   4.0622   3.0162   4.4615  829.357  162.234  471.775  192.085 357.5817 251.4293 
1 1 1   29   10   27 o  435.957  179.315   2.4676   3.9377   7.1516   4.4162 -15.7004   8.6976  594.373  200.303  368.602  184.047 225.7710 272.0194 
1 1 1   29   10   29 o  390.541  158.231   2.0397   3.0101  -0.9733   4.5654   4.3568   4.0036  372.260  171.081  486.380  186.916 -114.1199 253.3897 
1 1 1   29   10   31 o  403.411  170.550   2.0794   3.7090   6.7537   3.9960 -26.9971   9.9665  558.810  190.525  ?   ?  0.000000 190.5249 
1 1 1   29   10   33 o  360.273  153.081   1.5371   3.0127  -1.2571   4.0169   5.1295   4.5547  332.584  155.456  484.698  195.249 -152.1136 249.5770 
1 1 1   29   11    0 o  617.191  146.964   6.3691   2.7994   3.0011   5.1114   7.8122   3.3458  531.606  209.226  682.052  159.510 -150.4460 263.0949 
1 1 1   29   11    2 f  1477.28   98.570   34.756   4.5334   34.804   7.9296   34.732   5.5254  1451.22  178.249  1470.50  121.077 -19.27759 215.4818 
1 1 1   29   11    4 f  438.020  154.895   2.7462   2.6529  -0.1932   4.5661   4.2440   3.2595  429.001  185.454  520.117  172.019 -91.11569 252.9502 
1 1 1   29   11    6 o  864.252  121.126   12.147   3.1879   15.545   5.5458   10.470   3.8958  957.470  191.667  790.099  162.884 167.3712 251.5301 
1 1 1   29   11    8 o  937.253  115.689   14.214   3.3232   13.421   5.6715   14.629   4.1009  882.537  208.540  943.159  143.374 -60.62244 253.0714 
1 1 1   29   11   10 o  353.046  137.813   1.2721   2.2025   1.8442   3.0956   0.6855   3.1343  418.155  163.341  381.310  158.688 36.84485 227.7329 
1 1 1   29   11   12 o  232.220  111.249  -3.1713   2.3127  -2.2786   2.9505  -4.5938   3.7243  293.801  135.920  300.152  143.074 -6.350983 197.3432 
1 1 1   29   11   14 o  796.698  123.588   10.452   2.9832   8.2879   3.8313   13.783   4.7543  693.818  176.064  898.442  175.291 -204.6237 248.4467 
1 1 1   29   11   16 o  578.900  166.651   5.7465   3.1842   15.972   6.6352   2.6871   3.6294  936.605  228.318  462.642  177.926 473.9637 289.4598 
1 1 1   29   11   18 o  788.422  161.804   10.794   3.8606   7.3871   8.0359   11.817   4.4019  677.315  263.559  818.744  176.872 -141.4286 317.4066 
1 1 1   29   11   20 o  692.634  178.004   8.6599   3.8815   14.732   6.9811   5.9428   4.6699  863.160  246.222  585.408  205.656 277.7518 320.8113 
1 1 1   29   11   22 o  563.294  174.126   5.7214   3.3825   12.623   6.9269   3.5604   3.8761  782.772  250.190  485.034  184.505 297.7378 310.8654 
1 1 1   29   11   24 o  456.220  155.245   3.5542   2.6531   3.9908   3.7889   3.1342   3.7163  492.128  183.447  461.355  179.313 30.77319 256.5269 
1 1 1   29   11   26 o  311.331  136.778  -0.1022   2.5703  -0.8280   3.8059   0.5065   3.4851  354.270  160.243  371.218  161.246 -16.94736 227.3283 
1 1 1   29   11   28 o  359.123  146.529   1.4423   2.6031  -1.6437   3.9735   3.7626   3.4455  341.365  157.856  465.063  174.625 -123.6983 235.3983 
1 1 1   29   11   30 o  547.361  185.239   6.1601   3.7771   8.4728   4.1119  -6.3356   9.5577  633.195  191.266  436.665  213.167 196.5297 286.3966 
1 1 1   29   11   32 o  603.362  162.556   7.3943   3.1402   8.0724   4.4310   6.7100   4.4508  592.591  200.634  544.861  199.592 47.72955 283.0031 
1 1 1   29   12    1 o  439.951  147.927   2.9379   2.4086   3.2504   3.5881   2.6815   3.2495  489.977  179.250  457.029  169.981 32.94794 247.0308 
1 1 1   29   12    3 o  594.632  145.728   5.9033   2.6922   8.2862   3.5868   2.8287   4.0743  701.990  165.820  491.651  188.651 210.3383 251.1682 
1 1 1   29   12    5 o  546.292  148.610   4.9628   2.6096   8.4256   3.8119   1.9084   3.5800  706.519  173.557  442.508  174.800 264.0112 246.3277 
1 1 1   29   12    7 f  339.885  138.929   0.7263   2.3454   0.4731   3.5168   0.9291   3.1476  395.512  166.578  390.535  160.439 4.976440 231.2769 
1 1 1   29   12    9 o  769.783  136.847   9.7897   3.1777   11.395   4.8558   8.5875   4.2025  816.157  193.033  710.075  186.579 106.0816 268.4648 
1 1 1   29   12   11 o  402.454  145.963   2.2137   2.3718   3.1820   3.2417   1.0982   3.4795  473.789  170.825  410.438  168.658 63.35052 240.0553 
1 1 1   29   12   13 o  318.307  136.283   0.0224   2.4209  -0.4954   3.3539   0.5855   3.4980  358.299  156.856  394.745  166.188 -36.44543 228.5216 
1 1 1   29   12   15 o  541.696  150.985   4.9822   2.6568  -0.6921   3.4171   13.655   4.2247  355.013  156.768  898.438  155.822 -543.4252 221.0353 
1 1 1   29   12   17 o  756.817  162.462   9.9323   3.7349   3.0474   7.4009   12.285   4.3261  577.256  242.308  840.205  170.268 -262.9490 296.1495 
1 1 1   29   12   19 o  855.605  150.941   12.611   3.8961   11.873   7.5626   12.877   4.5457  778.621  262.120  851.604  176.278 -72.98279 315.8806 
1 1 1   29   12   21 o  412.267  161.722   2.0975   3.0444   1.7115   6.8397   2.1929   3.3998  520.449  225.979  428.140  169.957 92.30899 282.7578 
1 1 1   29   12   23 o  467.932  170.854   3.5197   3.2576   17.817   7.1415  -0.2368   3.6606  931.926  242.429  367.104  162.175 564.8217 291.6719 
1 1 1   29   12   25 o  343.119  141.839   0.9868   2.4801   2.0452   3.6507   0.0798   3.3796  423.141  173.188  358.486  157.183 64.65506 233.8815 
1 1 1   29   12   27 o  397.842  156.844   2.1661   2.8769   3.7532   4.0261   0.5101   4.1125  479.052  186.514  393.875  173.028 85.17752 254.4136 
1 1 1   29   12   29 o  484.902  190.816   4.1179   4.2509   4.1179   4.2509   0.0000   0.0000  484.902  190.816  ?   ?  0.000000 190.8158 
1 1 1   29   12   31 f  539.796  166.196   5.8430   3.0850   6.1822   4.2844   5.4777   4.4457  539.065  196.074  515.606  197.247 23.45892 278.1210 
1 1 1   29   13    0 o  579.922  159.816   5.5904   2.9952   6.0990   3.8843   4.8445   4.7041  609.599  186.288  577.801  206.053 31.79834 277.7791 
1 1 1   29   13    2 o  338.493  140.560   0.4976   2.4514   1.2959   3.6506  -0.1580   3.3082  427.035  173.799  367.916  158.453 59.11963 235.1882 
1 1 1   29   13    4 o  433.439  151.657   2.7144   2.5383   0.9479   3.6728   4.3294   3.5119  417.495  172.600  530.260  178.621 -112.7658 248.3870 
1 1 1   29   13    6 o  1223.68  108.772   23.975   4.1243   21.599   5.2864   27.670   6.5930  1149.20  150.527  1297.43  166.100 -148.2288 224.1595 
1 1 1   29   13    8 o  276.836  124.394  -1.0137   2.2498  -3.3786   3.0793   1.6943   3.2951  281.819  133.084  422.491  167.444 -140.6726 213.8899 
1 1 1   29   13   10 o  530.952  157.096   4.6658   2.7952   5.1195   3.7623   4.1068   4.1760  564.190  184.726  535.092  193.739 29.09814 267.6908 
1 1 1   29   13   12 o  1104.19  109.212   19.682   3.7265   16.967   4.7473   24.041   6.0150  1008.85  155.259  1200.43  164.338 -191.5794 226.0807 
1 1 1   29   13   14 o  272.787  123.264  -1.0862   2.2455  -0.4655   3.0501  -1.8207   3.3181  340.809  149.381  324.203  147.807 16.60519 210.1464 
1 1 1   29   13   16 o  1015.84  118.744   16.953   3.7058   13.769   4.8347   21.488   5.7701  887.773  180.077  1120.19  169.829 -232.4205 247.5277 
1 1 1   29   13   18 o  340.752  150.659  -0.5785   3.1657   4.8779   7.2634  -1.8580   3.5173  606.324  245.747  331.076  151.419 275.2482 288.6505 
1 1 1   29   13   20 o  689.803  173.892   8.5505   3.7549   14.135   6.9265   6.2261   4.4685  845.170  246.511  593.550  201.477 251.6202 318.3720 
1 1 1   29   13   22 o  703.979  178.694   9.0943   3.9458   11.353   7.1897   8.1208   4.7202  745.630  255.553  655.901  206.181 89.72852 328.3563 
1 1 1   29   13   24 o  387.190  164.103   0.9601   3.4477   0.4564   8.2429   1.0669   3.7957  520.937  235.710  403.832  171.714 117.1043 291.6247 
1 1 1   29   13   26 o  520.416  195.564   4.7363   4.3230   4.7363   4.3230   0.0000   0.0000  520.416  195.564  ?   ?  0.000000 195.5642 
1 1 1   29   13   28 o  515.640  194.649   4.8695   4.2931   4.8695   4.2931   0.0000   0.0000  515.640  194.649  ?   ?  0.000000 194.6487 
1 1 1   29   13   30 o  608.781  158.202   7.1444   3.0433   6.7858   4.3519   7.4876   4.2574  569.045  198.608  595.939  196.572 -26.89417 279.4377 
1 1 1   29   14    1 o  748.185  127.232   9.1551   2.8740   8.0298   4.3858   10.002   3.8048  691.701  194.414  774.541  162.085 -82.83917 253.1169 
1 1 1   29   14    3 o  530.107  156.222   4.6041   2.7691   5.3151   4.0276   3.9667   3.8133  580.352  191.181  524.057  185.666 56.29523 266.4997 
1 1 1   29   14    5 o  913.830  120.460   13.523   3.3629   14.170   4.9530   12.969   4.5804  919.386  178.487  880.416  172.320 38.96942 248.0959 
1 1 1   29   14    7 o  455.160  152.090   3.1823   2.5459   5.6893   3.4250   0.0867   3.8059  585.877  174.022  399.572  170.971 186.3056 243.9563 
1 1 1   29   14    9 o  1265.78  107.319   25.700   4.2135   22.325   5.3234   31.361   6.8942  1165.89  149.246  1379.20  162.777 -213.3080 220.8403 
1 1 1   29   14   11 o  743.879  140.389   9.2352   3.1501   7.7970   4.0773   11.365   4.9618  673.929  186.758  809.012  197.574 -135.0831 271.8715 
1 1 1   29   14   13 o  510.122  158.317   4.3085   2.7931   7.6563   3.6546  -0.3931   4.3309  666.143  173.491  408.262  178.499 257.8810 248.9196 
1 1 1   29   14   15 o  393.297  152.543   1.7824   2.6852   1.3410   3.6147   2.3260   4.0110  418.474  171.925  463.560  184.417 -45.08649 252.1269 
1 1 1   29   14   17 o  477.621  161.835   3.6796   2.8830   1.1254   4.0487   6.3068   4.1062  427.772  179.373  602.059  192.649 -174.2874 263.2267 
1 1 1   29   14   19 o  462.343  161.068   3.4014   2.8616   1.1032   3.7518   6.5980   4.4247  412.235  172.754  610.180  200.356 -197.9454 264.5495 
1 1 1   29   14   21 o  318.652  146.322  -1.8372   3.3301  -9.6321   8.3715  -0.3719   3.6297  424.567  205.446  366.288  161.667 58.27979 261.4277 
1 1 1   29   14   23 o  425.491  177.359   1.5871   3.9242   7.7700   10.528   0.5895   4.2289  675.277  286.517  411.491  178.179 263.7865 337.4012 
1 1 1   29   14   25 o  759.311  188.384   10.968   4.4575  -2.5768   10.767   13.769   4.8969  534.006  251.162  853.644  188.259 -319.6387 313.8855 
1 1 1   29   14   27 o  218.666  105.816  -3.2302   2.2214  -3.1039   3.2775  -3.3375   3.0211  286.066  135.743  267.833  127.998 18.23264 186.5733 
1 1 1   29   14   29 o  680.373  172.579   9.0016   3.6823   5.7176   5.4407   11.777   5.0019  545.525  215.491  749.389  206.532 -203.8641 298.4829 
1 1 1   29   15    0 o  374.791  149.419   1.1976   2.6382   2.7066   3.9662   0.0000   3.5332  485.413  186.161  384.866  164.706 100.5468 248.5635 
1 1 1   29   15    2 o  464.884  159.232   3.2199   2.7913   3.7231   3.9066   2.6950   3.9897  517.997  187.410  485.414  186.581 32.58313 264.4519 
1 1 1   29   15    4 o  326.496  142.638  -0.4888   2.7608   1.4603   3.8085  -2.6472   4.0078  438.806  177.915  350.767  160.867 88.03986 239.8582 
1 1 1   29   15    6 o  626.704  145.873   6.5669   2.8089   6.6055   3.4587   6.4921   4.8140  626.965  171.311  634.428  209.016 -7.462830 270.2501 
1 1 1   29   15    8 o  299.932  132.401  -0.6444   2.4354  -0.6483   3.0280  -0.6372   4.0983  337.260  148.307  395.406  173.239 -58.14621 228.0496 
1 1 1   29   15   10 o  666.349  210.698   7.5115   4.9229   0.0000   0.0000   7.5115   4.9229  ?   ?   666.349  210.698 0.000000 210.6982 
1 1 1   29   15   12 o  1464.03  108.075   34.531   4.9194   29.406   6.2829   42.652   7.9083  1331.26  153.538  1602.57  159.727 -271.3048 221.5547 
1 1 1   29   15   14 o  688.962  146.011   8.0659   3.0521   8.4828   3.9658   7.4602   4.7798  696.987  180.337  655.537  207.651 41.45007 275.0278 
1 1 1   29   15   16 o  444.025  162.191   2.8398   2.9361   0.9357   3.8300   5.5535   4.5723  414.912  174.245  581.437  203.540 -166.5253 267.9362 
1 1 1   29   15   18 o  445.641  154.684   3.1130   2.6381   5.8630   3.4834  -0.5856   4.0397  579.557  176.263  384.730  170.143 194.8268 244.9846 
1 1 1   29   15   20 o  472.924  161.719   3.6538   2.8791   4.2524   3.8369   2.8824   4.3557  515.112  185.828  483.055  192.177 32.05728 267.3279 
1 1 1   29   15   22 o  611.169  198.400   6.8252   4.3434  -5.0721   10.198   9.4613   4.8005  515.464  243.047  708.264  204.833 -192.8001 317.8496 
1 1 1   29   15   24 f  448.256  184.925   2.1162   4.2035   0.0000   0.0000   2.1162   4.2035  ?   ?   448.256  184.925 0.000000 184.9254 
1 1 1   29   15   26 o  369.858  162.022   0.1534   3.5837 -15.6095   11.652   1.8003   3.7662  451.448  223.286  420.455  174.379 30.99393 283.3105 
1 1 1   29   16    1 f  505.725  164.884   4.0074   2.9986  -0.1660   4.3565   7.7647   4.1337  421.506  181.683  680.058  187.888 -258.5521 261.3629 
1 1 1   29   16    3 o  703.260  151.018   8.2466   3.2262   7.8791   4.6341   8.5923   4.4943  685.323  202.134  712.562  195.520 -27.23950 281.2225 
1 1 1   29   16    5 o  589.234  155.423   5.8156   2.9089   0.5017   3.9153   12.362   4.3459  415.609  175.441  858.890  167.610 -443.2805 242.6373 
1 1 1   29   16    7 o  694.330  141.016   8.0383   2.9612   6.1796   3.9690   10.372   4.4473  609.958  188.628  779.075  185.053 -169.1172 264.2447 
1 1 1   29   16    9 o  465.844  148.679   3.4827   2.4469   4.6447   3.1939   1.8317   3.8072  533.661  169.816  446.291  178.956 87.36954 246.7032 
1 1 1   29   16   11 o  830.729  130.139   11.403   3.2740   13.070   4.5457   9.6059   4.7196  875.476  171.955  741.651  199.064 133.8251 263.0497 
1 1 1   29   16   13 o  486.987  152.983   3.9018   2.5991   6.0967   3.3626   0.6441   4.0967  596.536  171.118  421.813  178.835 174.7238 247.5142 
1 1 1   29   16   15 o  276.247  123.581  -0.8072   2.1945  -3.1153   3.2395   1.1503   2.9833  293.278  137.884  384.051  156.801 -90.77289 208.8030 
1 1 1   29   16   17 o  735.852  132.902   9.1300   2.9495   9.9043   4.1925   8.3712   4.1504  748.136  180.944  685.987  187.753 62.14844 260.7526 
1 1 1   29   16   19 o  329.623  140.435   0.2631   2.5479   1.5633   3.3078  -1.6339   3.9954  408.448  165.737  359.969  163.369 48.47928 232.7193 
1 1 1   29   16   21 o  566.555  160.321   5.6555   2.9720   13.343   4.0925  -2.9232   4.3231  876.602  154.755  350.477  162.963 526.1252 224.7350 
1 1 1   29   16   23 o  373.929  152.285   1.3022   2.8051  -2.8309   3.9954   5.3196   3.9391  333.879  155.718  551.053  189.144 -217.1744 244.9969 
1 1 1   29   16   25 o  491.684  187.862   3.7605   4.0296 -27.0544   12.327   7.4474   4.2638  415.921  209.236  627.093  195.770 -211.1714 286.5410 
1 1 1   29   17    0 o  718.425  200.526   8.7195   4.6829   8.7195   4.6829   0.0000   0.0000  718.425  200.526  ?   ?  0.000000 200.5257 
1 1 1   29   17    2 o  562.063  156.050   5.2540   2.8439   14.531   4.4499  -1.1510   3.6975  937.239  157.194  364.259  161.850 572.9792 225.6222 
1 1 1   29   17    4 o  725.851  150.762   8.8010   3.3145   7.9993   4.7814   9.5426   4.5988  688.549  205.863  747.545  194.579 -58.99591 283.2679 
1 1 1   29   17    6 o  404.491  151.487   2.0522   2.5896   4.3728   3.8100   0.0595   3.5305  535.954  185.900  383.817  164.461 152.1367 248.2065 
1 1 1   29   17    8 o  464.093  158.673   3.2860   2.7717   7.5371   4.2712   0.1937   3.6428  664.633  193.500  392.172  167.522 272.4608 255.9415 
1 1 1   29   17   10 o  419.591  152.127   2.4512   2.5761   3.8066   3.3372   0.4528   4.0522  499.649  173.946  417.220  177.414 82.42950 248.4612 
1 1 1   29   17   12 o  390.916  150.631   1.7668   2.6050   2.3638   3.6906   1.1739   3.6776  456.212  178.309  418.744  172.881 37.46796 248.3588 
1 1 1   29   17   14 o  657.621  142.598   7.3358   2.8517   7.8915   3.8745   6.6789   4.2126  673.059  180.241  623.402  194.587 49.65741 265.2377 
1 1 1   29   17   16 o  651.350  141.262   7.2242   2.7981   6.4897   3.7801   8.1144   4.1616  611.262  183.108  677.967  188.965 -66.70453 263.1283 
1 1 1   29   17   18 o  592.451  159.245   6.1006   3.0177   3.2151   4.2391   9.0654   4.2969  494.974  191.753  712.018  189.420 -217.0437 269.5352 
1 1 1   29   17   20 o  621.975  153.564   6.7535   2.9728   4.4411   4.3218   8.8304   4.0958  533.361  196.481  700.724  184.229 -167.3633 269.3422 
1 1 1   29   17   22 o  369.898  149.772   1.2810   2.6950  -0.9797   4.1417   2.9411   3.5492  377.510  169.263  460.010  176.177 -82.49985 244.3123 
1 1 1   29   17   24 o  554.381  158.593   5.4817   2.8920   6.9698   4.1355   4.0576   4.0458  614.219  192.975  506.003  189.378 108.2166 270.3761 
1 1 1   29   18    1 o  362.814  158.531  -0.5475   3.4115  -0.4544   3.6915  -1.0922   8.9300  380.218  165.555  576.383  254.030 -196.1654 303.2155 
1 1 1   29   18    3 o  325.105  151.650  -3.3538   3.7918  -4.6743   4.1930   2.5724   8.8825  326.092  154.385  633.500  265.663 -307.4080 307.2649 
1 1 1   29   18    5 o  601.430  161.294   6.0894   3.1000   10.181   4.2824   1.5844   4.4934  773.142  180.222  468.548  191.997 304.5937 263.3308 
1 1 1   29   18    7 o  907.803  131.821   13.521   3.6375   14.826   4.8712   11.876   5.4691  937.636  172.263  825.882  210.779 111.7538 272.2173 
1 1 1   29   18    9 o  401.449  158.163   1.6312   2.9238   2.6239   3.8472   0.2740   4.4984  472.646  182.793  433.470  185.685 39.17609 260.5619 
1 1 1   29   18   11 o  500.752  165.183   4.0127   3.0063   5.1378   3.9120   2.3901   4.6982  563.588  188.529  494.059  198.553 69.52802 273.7998 
1 1 1   29   18   13 o  621.180  166.354   6.6223   3.3004   5.4722   4.4898   7.9742   4.8680  583.457  201.839  677.539  208.797 -94.08228 290.4051 
1 1 1   29   18   15 o  416.080  154.661   2.3270   2.6894  -0.5960   3.4185   7.0739   4.3564  357.030  157.273  638.910  197.627 -281.8792 252.5697 
1 1 1   29   18   17 o  294.002  131.847  -0.9432   2.5143   2.1207   3.2829  -5.2907   3.9105  429.251  168.061  297.480  143.070 131.7709 220.7115 
1 1 1   29   18   19 o  654.511  156.668   7.4463   3.1681   5.5134   4.0344   10.555   5.1169  570.365  191.451  760.403  208.614 -190.0386 283.1484 
1 1 1   29   18   21 o  433.090  159.160   2.7328   2.8335  -1.7448   3.9721   7.3718   4.0431  355.997  162.076  640.300  188.792 -284.3034 248.8191 
1 1 1   29   18   23 o  358.409  148.060   0.9587   2.6997   2.7141   3.6448  -1.1751   4.0185  454.313  177.301  367.200  165.505 87.11255 242.5441 
1 1 1   29   19    0 o  713.304  165.045   8.5629   3.6132   10.896   4.5212   4.4390   6.0109  801.576  184.023  597.054  229.129 204.5229 293.8779 
1 1 1   29   19    2 o  487.056  183.835   2.9789   3.8290   2.5240   4.1579   5.5174   9.8227  483.873  189.223  710.943  286.609 -227.0693 343.4384 
1 1 1   29   19    4 o  599.219  204.801   5.6337   4.6175   5.0545   5.1754   7.8941   10.223  591.688  215.456  762.209  297.086 -170.5208 366.9901 
1 1 1   29   19    6 o  537.330  198.457   3.9899   4.4141   2.8265   4.8390   9.7563   10.773  514.885  203.278  804.486  307.219 -289.6003 368.3816 
1 1 1   29   19    8 o  548.806  168.006   4.9826   3.1577   5.8874   4.1286   3.7072   4.9015  598.562  193.347  540.994  207.075 57.56726 283.3076 
1 1 1   29   19   10 o  624.861  168.702   6.6492   3.3779   5.0814   4.2812   9.2352   5.4983  569.332  197.085  729.254  221.373 -159.9217 296.3923 
1 1 1   29   19   12 o  357.339  153.533   0.0231   3.0920  -0.4424   4.1923   0.5784   4.5785  401.559  175.592  442.587  188.401 -41.02747 257.5416 
1 1 1   29   19   14 o  635.278  172.271   6.9523   3.5132   9.5915   4.9545   4.2829   4.9826  737.208  206.432  554.754  209.630 182.4538 294.2086 
1 1 1   29   19   16 o  529.310  166.498   4.6829   3.0775   1.3225   4.0425   9.3153   4.7463  436.465  180.811  724.737  201.735 -288.2722 270.9053 
1 1 1   29   19   18 o  449.873  159.468   3.0582   2.8135   3.3868   3.6109   2.5504   4.4883  484.951  179.419  484.960  194.360 -0.8422852E-02 264.5126 
1 1 1   29   19   20 o  528.432  166.195   4.7562   3.0665   2.1346   3.7054   10.454   5.4626  443.075  176.942  752.648  218.744 -309.5732 281.3493 
1 1 1   29   20    1 o  453.169  184.871   1.4956   4.1428   1.4956   4.1428   0.0000   0.0000  453.169  184.871  ?   ?  0.000000 184.8710 
1 1 1   29   20    3 o  413.940  183.744  -1.2837   4.7543  -4.3718   5.2505   12.776   11.203  384.010  178.900  878.397  317.438 -494.3866 364.3788 
1 1 1   29   20    5 o  409.596  181.748  -1.2224   4.6473   1.8892   5.0656 -17.7640   11.679  498.613  204.033  489.635  238.278 8.978333 313.6974 
1 1 1   29   20    7 o  916.087  215.854   14.609   6.0901   14.609   6.0901   0.0000   0.0000  916.087  215.854  ?   ?  0.000000 215.8535 
1 1 1   29   20    9 o  494.111  203.374   1.7905   5.0696   0.1194   5.5560   10.099   12.389  474.586  204.867  827.549  325.722 -352.9637 384.7924 
1 1 1   29   20   11 o  571.930  193.203   5.2359   4.1088   4.6654   4.3487   9.9836   12.545  555.998  198.133  821.948  326.411 -265.9492 381.8389 
1 1 1   29   20   13 o  327.228  150.456  -2.3289   3.5366  -0.7535   3.6842 -20.8166   12.621  369.181  162.915  488.846  239.952 -119.6646 290.0312 
1 1 1   29   20   15 o  507.519  191.053   3.5036   4.1294   4.1168   4.4399  -0.4264   11.240  536.059  198.826  629.224  280.715 -93.16595 343.9952 
1 1 1   29   20   17 o  366.350  161.173  -0.5541   3.5798  -0.1737   3.7466  -4.5422   12.131  383.984  166.989  597.211  276.043 -213.2274 322.6225 
1 1 1   29   20   19 o  286.065  134.037  -2.7388   3.0174  -3.5089   3.1364   6.8317   11.056  279.632  132.719  716.087  298.031 -436.4547 326.2466 
1 1 1   29   21    0 o  263.414  129.439  -7.4286   3.7043  -9.2339   3.8953   9.6393   11.977  255.557  126.869  830.695  322.172 -575.1387 346.2523 
1 1 1   29   21    2 o  578.544  210.571   4.7585   4.9425   1.8420   5.3554   21.516   12.837  509.612  209.305  1080.07  340.098 -570.4608 399.3433 
1 1 1   29   21    4 o  616.515  229.363   5.2778   5.9173   5.2778   5.9173   0.0000   0.0000  616.515  229.363  ?   ?  0.000000 229.3631 
1 1 1   29   21    6 o  505.014  212.481   1.1492   5.7127   1.1492   5.7127   0.0000   0.0000  505.014  212.481  ?   ?  0.000000 212.4814 
1 1 1   29   21    8 o  695.728  223.650   8.1230   5.5292   8.0960   6.0337   8.2644   13.813  699.912  234.136  823.548  336.952 -123.6362 410.3120 
1 1 1   29   21   10 o  547.422  213.156   3.5619   5.2588   1.4970   5.8032   13.046   12.437  513.631  215.024  883.480  331.761 -369.8484 395.3486 
1 1 1   29   21   12 o  576.154  222.154   4.2610   5.6692   4.2610   5.6692   0.0000   0.0000  576.154  222.154  ?   ?  0.000000 222.1544 
1 1 1   29   21   14 o  341.072  156.648  -2.4279   3.8193  -2.1270   4.0032  -5.4790   12.747  356.675  162.510  613.210  283.275 -256.5353 326.5797 
1 1 1   29   21   16 o  335.530  156.837  -3.5035   4.0889  -1.6229   4.3243 -19.3790   12.564  381.617  171.874  492.978  241.452 -111.3612 296.3774 
1 1 1   29   22    1 o  576.205  191.253   5.2372   4.0278   5.2372   4.0278   0.0000   0.0000  576.205  191.253  ?   ?  0.000000 191.2526 
1 1 1   29   22    3 o  418.556  171.367   1.1574   3.5759   2.1226   3.6754 -15.9477   15.472  453.228  177.721  609.543  290.846 -156.3147 340.8463 
1 1 1   29   22    5 o  470.481  190.601   1.7909   4.3672   1.7375   4.5597   2.3831   15.193  476.613  194.136  776.189  336.908 -299.5755 388.8391 
1 1 1   29   22    7 o  614.239  236.352   4.7809   6.4067   5.1399   7.2442   3.4920   13.726  643.518  250.286  758.318  324.586 -114.8004 409.8770 
1 1 1   29   22    9 o  738.815  241.015   9.2111   6.4067   14.201   7.3357  -6.8327   13.153  895.094  251.381  621.558  287.347 273.5361 381.7862 
1 1 1   29   22   11 o  541.732  221.442   2.4838   5.9589   7.0008   6.7654 -13.1467   12.585  676.671  246.349  547.303  261.470 129.3681 359.2415 
1 1 1   29   22   13 o  513.764  222.407   0.2461   6.5855   0.2461   6.5855   0.0000   0.0000  513.764  222.407  ?   ?  0.000000 222.4071 
1 1 1   29   23    0 o  875.954  366.749   7.0900   16.885   0.0000   0.0000   7.0900   16.885  ?   ?   875.954  366.749 0.000000 366.7492 
1 1 1   29   23    2 o  515.630  255.984 -34.0044   15.861   0.0000   0.0000 -34.0044   15.861  ?   ?   515.630  255.984 0.000000 255.9845 
1 1 1   29   23    4 o  461.539  182.702   2.0661   3.9186   3.7740   4.0638 -20.5593   14.791  523.120  190.856  561.358  272.002 -38.23798 332.2814 
1 1 1   29   23    6 o  491.655  188.209   2.8747   4.0493   2.1237   4.2315   11.038   13.952  475.021  189.279  881.554  346.077 -406.5331 394.4564 
1 1 1   29   23    8 o  371.747  162.678  -0.5897   3.6044  -0.5236   3.7215  -1.5911   14.481  379.551  165.717  712.525  318.197 -332.9747 358.7635 
1 1 1   29   23   10 o  527.501  220.378   1.6061   6.0781   1.6061   6.0781   0.0000   0.0000  527.501  220.378  ?   ?  0.000000 220.3779 
1 1 1   29   24    1 o  603.141  204.161   5.6444   4.5882   5.1678   4.8055   10.561   15.434  591.181  208.534  905.457  361.269 -314.2759 417.1350 
1 1 1   29   24    3 o  548.224  246.346  -2.9522   8.8240  -5.1532   11.049   0.9241   14.663  590.407  269.382  755.534  329.434 -165.1272 425.5508 
1 1 1   29   24    5 o  474.263  224.674  -9.3014   8.9070 -10.4331   11.060  -7.2126   15.026  534.477  252.342  673.598  309.865 -139.1207 399.6164 
1 1 1   30    0    0 o  886.923  144.081   13.438   3.6846   13.438   3.6846   13.438   3.6846  886.923  144.081  886.923  144.081 -0.000000 0.000000 
1 1 1   30    0    2 o  224.971  148.960  -0.6120   2.7512  -0.6120   2.7512  -0.6120   2.7512  224.971  148.960  224.971  148.960 -0.000000 0.000000 
1 1 1   30    0    4 o  916.980  146.537   14.344   3.8854   14.344   3.8854   14.344   3.8854  916.980  146.537  916.980  146.537 -0.000000 0.000000 
1 1 1   30    0    6 o  330.116  209.423   0.8348   4.6949   0.8348   4.6949   0.8348   4.6949  330.116  209.423  330.116  209.423 -0.000000 0.000000 
1 1 1   30    0    8 o  163.670  115.913  -3.0964   2.4601  -3.0964   2.4601  -3.0964   2.4601  163.670  115.913  163.670  115.913 -0.000000 0.000000 
1 1 1   30    0   10 o  592.946  191.601   7.1291   3.1432   7.1291   3.1432   7.1291   3.1432  592.946  191.601  592.946  191.601 -0.000000 0.000000 
1 1 1   30    0   12 o  463.564  202.445   4.9564   3.0561   4.9564   3.0561   4.9564   3.0561  463.564  202.445  463.564  202.445 -0.000000 0.000000 
1 1 1   30    0   14 o  206.079  139.697  -1.3189   2.6899  -1.3189   2.6899  -1.3189   2.6899  206.079  139.697  206.079  139.697 -0.000000 0.000000 
1 1 1   30    0   16 o  521.691  224.388   6.2824   3.7596   6.2824   3.7596   6.2824   3.7596  521.691  224.388  521.691  224.388 -0.000000 0.000000 
1 1 1   30    0   18 o  547.616  223.024   6.7755   3.7567   6.7755   3.7567   6.7755   3.7567  547.616  223.024  547.616  223.024 -0.000000 0.000000 
1 1 1   30    0   20 o  1135.27  151.160   21.712   5.1069   21.712   5.1069   21.712   5.1069  1135.27  151.160  1135.27  151.160 -0.000000 0.000000 
1 1 1   30    0   22 o  414.872  221.174   4.1976   3.9035   4.1976   3.9035   4.1976   3.9035  414.872  221.174  414.872  221.174 -0.000000 0.000000 
1 1 1   30    0   24 o  234.478  166.916  -6.8732   5.3407  -6.8732   5.3407  -6.8732   5.3407  234.478  166.916  234.478  166.916 -0.000000 0.000000 
1 1 1   30    0   26 o  1061.99  166.094   19.683   5.1202   19.683   5.1202   19.683   5.1202  1061.99  166.094  1061.99  166.094 -0.000000 0.000000 
1 1 1   30    0   28 o  1147.01  150.974   22.513   5.1615   22.513   5.1615   22.513   5.1615  1147.01  150.974  1147.01  150.974 -0.000000 0.000000 
1 1 1   30    0   30 o  320.633  195.008   1.8977   3.6628   1.8977   3.6628   1.8977   3.6628  320.633  195.008  320.633  195.008 -0.000000 0.000000 
1 1 1   30    0   32 o  311.730  193.083   1.5657   3.7451   1.5657   3.7451   1.5657   3.7451  311.730  193.083  311.730  193.083 -0.000000 0.000000 
1 1 1   30    0   34 o  318.333  214.248  -1.1629   6.1110  -1.1629   6.1110  -1.1629   6.1110  318.333  214.248  318.333  214.248 -0.000000 0.000000 
1 1 1   30    1    1 o  1117.56   86.474   19.920   3.0025   21.945   4.1483   17.692   4.3512  1165.35  115.192  1038.17  137.213 127.1741 179.1555 
1 1 1   30    1    3 f  1855.72   81.625   54.549   4.7430   52.700   6.6639   56.447   6.7521  1808.91  118.303  1873.50  115.664 -64.58350 165.4502 
1 1 1   30    1    5 o  477.033  153.689   3.6529   2.6099   9.0847   5.1259   1.7519   3.0324  723.313  212.378  410.443  161.275 312.8699 266.6721 
1 1 1   30    1    7 f  656.065  144.786   7.2592   2.8946   8.5802   3.4080   3.8383   5.4842  711.011  157.249  558.527  217.621 152.4842 268.4887 
1 1 1   30    1    9 o  745.853  105.738   9.0659   2.4003   8.3023   3.5052   9.7401   3.2938  696.991  163.443  762.282  143.253 -65.29163 217.3358 
1 1 1   30    1   11 o  1255.74   87.291   25.192   3.4110   25.496   4.9868   24.924   4.6759  1248.70  129.418  1237.28  122.293 11.42004 178.0580 
1 1 1   30    1   13 o  559.116  131.530   5.2691   2.2642   3.3034   3.3700   6.8867   3.0570  478.652  173.928  634.917  155.097 -156.2648 233.0362 
1 1 1   30    1   15 o  1993.45   83.722   63.213   5.2259   58.941   7.5268   67.189   7.2615  1901.67  127.135  2038.48  114.223 -136.8101 170.9106 
1 1 1   30    1   17 o  395.317  142.258   2.2424   2.2470   3.0260   3.2926   1.5593   3.0741  463.002  171.323  401.693  160.899 61.30902 235.0319 
1 1 1   30    1   19 f  1027.20   99.027   17.153   3.1457   24.226   4.7470   11.615   4.2003  1208.85  127.324  813.792  170.304 395.0582 212.6374 
1 1 1   30    1   21 o  473.911  148.307   3.8461   2.4453   2.9812   3.3782   4.7981   3.5441  455.052  172.452  528.212  179.432 -73.16003 248.8684 
1 1 1   30    1   23 f  351.882  141.462   1.3116   2.3857  -4.3878   3.1415   9.0773   3.6670  260.617  126.047  701.174  169.002 -440.5567 210.8303 
1 1 1   30    1   25 o  938.670  113.150   15.049   3.2587   11.780   4.3124   19.401   4.9752  780.960  180.038  1028.16  159.721 -247.1962 240.6748 
1 1 1   30    1   27 o  473.587  160.539   4.2046   2.8370  -1.3582   3.6474   12.725   4.5140  329.520  151.979  794.427  184.925 -464.9071 239.3634 
1 1 1   30    1   29 o  361.052  150.004   1.5501   2.7939   2.8293   3.7840   0.0168   4.1426  425.627  175.506  368.184  166.801 57.44336 242.1253 
1 1 1   30    1   31 o  237.989  115.282  -3.2641   2.6523  -1.2786   3.3867  -6.4137   4.2656  308.198  143.615  276.302  136.370 31.89597 198.0450 
1 1 1   30    1   33 o  297.108  137.559  -0.7506   3.0309  -0.1424   3.9581  -1.6128   4.7127  341.195  157.698  339.858  161.708 1.336487 225.8717 
1 1 1   30    1   35 o  399.010  163.636   3.4002   3.2673   6.1443   4.2171  -0.7204   5.1677  475.464  189.114  348.734  166.863 126.7301 252.2055 
1 1 1   30    2    0 o  1193.57   96.870   22.802   3.5891   21.825   5.9440   23.363   4.5026  1141.65  171.583  1200.92  121.406 -59.27026 210.1914 
1 1 1   30    2    2 f  326.490  129.730   0.9557   1.9826   2.2645   2.7716  -0.4158   2.8373  419.767  156.815  331.399  144.695 88.36813 213.3725 
1 1 1   30    2    4 o  282.258  126.017  -0.8401   2.2697   2.6992   4.6996  -1.9167   2.5921  504.458  199.958  277.598  128.062 226.8609 237.4510 
1 1 1   30    2    6 o  343.615  133.795   1.2393   2.0719   0.8826   2.9883   1.5696   2.8752  378.481  156.004  396.690  156.666 -18.20929 221.0921 
1 1 1   30    2    8 f  381.376  137.413   2.0252   2.0972   3.3454   2.9699   0.7122   2.9618  470.708  164.081  371.316  154.372 99.39191 225.2849 
1 1 1   30    2   10 o  407.553  136.893   2.5619   2.0626  -1.6047   3.0028   6.2840   2.8382  310.726  141.255  608.357  149.952 -297.6319 206.0056 
1 1 1   30    2   12 o  514.955  136.995   4.4662   2.2476   7.0215   3.3156   2.2936   3.0572  639.887  164.553  430.008  163.792 209.8789 232.1751 
1 1 1   30    2   14 o  668.654  126.314   7.4592   2.5477   4.0397   3.7991   10.254   3.4345  517.442  185.106  780.175  145.956 -262.7332 235.7272 
1 1 1   30    2   16 o  1017.15   93.162   16.663   2.9342   15.956   4.1988   17.338   4.1020  977.861  141.222  1024.30  130.888 -46.43542 192.5492 
1 1 1   30    2   18 o  410.898  146.761   2.4885   2.3873   4.0885   3.3764   0.8891   3.3758  505.518  175.022  392.860  164.192 112.6582 239.9828 
1 1 1   30    2   20 f  969.889   99.638   15.373   2.9830   20.049   4.2053   10.637   4.2320  1096.75  124.668  769.734  178.973 327.0145 218.1135 
1 1 1   30    2   22 o  557.694  144.657   5.5101   2.5476   9.9969   3.5135   0.5363   3.6993  749.603  154.815  388.401  167.416 361.2018 228.0259 
1 1 1   30    2   24 o  488.119  147.251   4.2842   2.4383   4.1122   3.3934   4.4678   3.5059  486.072  174.830  501.198  177.976 -15.12509 249.4813 
1 1 1   30    2   26 o  704.786  160.120   9.3927   3.4532   9.7620   5.9931   9.2091   4.2251  657.610  232.784  672.794  191.424 -15.18420 301.3822 
1 1 1   30    2   28 o  732.821  131.685   9.7763   2.9106   9.2071   4.1060   10.351   4.1266  660.957  188.931  707.193  184.435 -46.23651 264.0287 
1 1 1   30    2   30 o  346.896  152.745   0.6535   3.2212   0.2776   3.7208   1.7784   6.4360  355.574  159.855  445.439  204.127 -89.86481 259.2709 
1 1 1   30    2   32 o  392.708  159.375   2.6622   3.0593  -2.7796   4.0715   9.7182   4.6362  308.016  147.573  621.524  205.137 -313.5075 252.7036 
1 1 1   30    2   34 o  522.955  176.207   6.5722   3.4176   8.4226   4.4118   3.7956   5.4043  557.473  199.469  429.314  192.860 128.1591 277.4581 
1 1 1   30    3    1 o  323.413  132.991   0.6071   2.1653   2.4550   3.7536  -0.3146   2.6509  464.423  180.293  322.967  140.459 141.4558 228.5477 
1 1 1   30    3    3 o  455.397  152.165   3.2265   2.5484   15.406   4.9433  -1.1821   2.9741  955.392  171.545  319.785  143.404 635.6072 223.5896 
1 1 1   30    3    5 o  407.336  139.105   2.5044   2.1302   1.7327   2.9971   3.2924   3.0283  408.333  160.370  470.804  165.599 -62.47076 230.5241 
1 1 1   30    3    7 f  278.522  121.386  -0.2967   1.9887  -3.4874   2.9145   2.4830   2.7203  268.035  127.426  426.259  156.055 -158.2237 201.4711 
1 1 1   30    3    9 o  667.874  119.021   7.3732   2.3978   7.9012   3.5795   6.9433   3.2294  678.983  169.025  637.955  161.510 41.02777 233.7833 
1 1 1   30    3   11 o  1670.90   97.508   44.694   5.0794   43.504   6.3446   46.818   8.4769  1637.07  124.709  1677.88  163.421 -40.81091 205.5694 
1 1 1   30    3   13 o  450.153  139.675   3.3091   2.1742   5.4462   2.9099   0.6085   3.2711  566.268  158.077  383.040  160.954 183.2278 225.5988 
1 1 1   30    3   15 o  1167.93   90.617   21.875   3.2880   22.313   4.6995   21.456   4.6019  1164.91  131.116  1142.10  131.054 22.80310 185.3823 
1 1 1   30    3   17 o  641.520  135.325   6.9718   2.6328   5.9502   3.9000   7.8272   3.5688  589.834  187.647  670.255  169.836 -80.42084 253.0918 
1 1 1   30    3   19 o  912.049  103.862   13.611   2.9132   13.531   4.2513   13.681   4.0001  885.034  159.262  895.640  147.787 -10.60614 217.2675 
1 1 1   30    3   21 o  598.765  137.310   6.2405   2.5195   5.9012   3.6786   6.5402   3.4580  573.667  182.215  601.736  173.796 -28.06909 251.8076 
1 1 1   30    3   23 o  550.029  144.350   5.4184   2.5174   5.8132   3.6283   5.0519   3.4958  560.474  181.276  528.891  178.212 31.58307 254.2053 
1 1 1   30    3   25 o  1017.28  104.218   17.438   3.2729   17.702   4.6144   17.170   4.6428  985.812  154.568  967.004  158.850 18.80780 221.6408 
1 1 1   30    3   27 o  213.006  104.428  -4.0878   2.3675  -5.4539   3.3340  -2.6984   3.3624  251.799  123.542  292.266  138.336 -40.46686 185.4713 
1 1 1   30    3   29 o  576.974  192.563   7.2700   4.0811   0.0000   0.0000   7.2700   4.0811  ?   ?   576.974  192.563 0.000000 192.5630 
1 1 1   30    3   31 o  558.196  178.662   6.8553   3.5314   9.3271   6.6214   5.8727   4.1747  575.866  234.185  509.900  192.069 65.96594 302.8749 
1 1 1   30    3   33 o  413.187  171.511   3.2592   3.6478   5.7553   6.6065   2.1644   4.3753  479.059  214.357  396.342  176.084 82.71710 277.4069 
1 1 1   30    3   35 o  457.283  200.412   5.9178   5.4887  -0.2132   6.9918   15.763   8.8603  383.063  185.939  564.878  250.787 -181.8154 312.1974 
1 1 1   30    4    0 o  863.804   97.100   12.006   2.5808   11.363   3.5572   12.720   3.7501  827.584  142.407  877.009  141.367 -49.42499 200.6599 
1 1 1   30    4    2 o  655.959  132.577   7.1677   2.6294   9.2351   4.5596   6.1375   3.2185  731.757  195.339  602.479  165.519 129.2776 256.0347 
1 1 1   30    4    4 o  1041.69   93.949   17.383   3.0314   16.182   4.3625   18.505   4.2155  989.344  145.138  1064.74  129.077 -75.39972 194.2317 
1 1 1   30    4    6 o  738.808  113.009   8.9283   2.5312   8.9907   3.5879   8.8664   3.5716  727.708  161.659  722.506  161.884 5.201965 228.7796 
1 1 1   30    4    8 o  409.689  139.389   2.5499   2.1388  -1.2169   3.2301   5.4908   2.8541  333.762  149.576  569.927  155.576 -236.1650 215.8165 
1 1 1   30    4   10 o  270.916  119.818  -0.5609   2.0037  -2.5436   3.0333   0.9740   2.6689  292.946  136.310  364.669  148.532 -71.72256 201.5991 
1 1 1   30    4   12 o  634.936  130.197   6.7470   2.5016   10.097   3.8035   4.1926   3.3210  769.707  162.892  514.242  173.697 255.4651 238.1269 
1 1 1   30    4   14 o  410.666  140.927   2.5611   2.1867   1.1697   3.0484   4.0358   3.1385  389.483  158.702  503.083  168.861 -113.6005 231.7331 
1 1 1   30    4   16 o  1046.01  138.949   18.182   4.4384   16.796   6.1841   19.654   6.3738  971.191  209.508  1058.07  199.705 -86.88440 289.4401 
1 1 1   30    4   18 o  698.189  145.443   8.3427   3.0764   7.7140   3.7073   9.7332   5.5131  661.786  175.893  730.033  221.686 -68.24646 282.9895 
1 1 1   30    4   20 o  501.825  149.052   4.3471   2.5127   4.7965   3.7592   3.9842   3.3782  533.607  184.683  495.618  174.842 37.98901 254.3176 
1 1 1   30    4   22 o  657.345  177.699   8.0037   3.7450  -2.6923   5.3707   18.127   5.2249  393.257  182.440  1001.45  172.868 -608.1942 251.3323 
1 1 1   30    4   24 o  540.375  166.464   5.4194   3.0945   1.2903   5.6503   7.1885   3.6984  461.481  202.769  612.382  180.566 -150.9011 271.5133 
1 1 1   30    4   26 o  530.829  169.302   5.4037   3.1732   6.4510   5.4202   4.8576   3.9141  565.230  217.422  509.022  187.064 56.20847 286.8197 
1 1 1   30    4   28 f  371.711  155.610   1.5128   3.0392   10.364   5.6237  -2.1389   3.6122  661.475  226.018  311.515  146.182 349.9601 269.1718 
1 1 1   30    4   30 o  482.305  184.698   4.7673   3.9005   8.0754   6.1596   2.5527   5.0398  565.871  227.370  437.092  191.790 128.7798 297.4568 
1 1 1   30    4   32 o  480.928  177.681   5.0855   3.5388  -4.1702   6.3566   9.2425   4.2600  360.248  175.417  620.808  195.970 -260.5601 263.0117 
1 1 1   30    4   34 o  368.426  177.829  -1.5142   6.1775  -1.5142   6.1775   0.0000   0.0000  368.426  177.829  ?   ?  0.000000 177.8286 
1 1 1   30    5    1 o  1821.47   82.899   52.529   4.7281   50.857   6.8197   54.077   6.5609  1776.31  123.377  1835.42  114.734 -59.10474 168.4810 
1 1 1   30    5    3 o  449.476  150.691   3.1248   2.4994   4.1800   4.1515   2.5249   3.1303  535.698  193.289  443.896  166.490 91.80203 255.1073 
1 1 1   30    5    5 o  1700.66   84.338   45.842   4.4911   43.826   6.4069   47.791   6.2973  1646.41  125.217  1722.87  117.431 -76.46448 171.6667 
1 1 1   30    5    7 f  625.665  123.460   6.5010   2.3328   3.4875   3.6501   8.5819   3.0331  496.309  180.910  716.487  140.217 -220.1778 228.8865 
1 1 1   30    5    9 o  1428.99   99.897   32.715   4.4418   30.303   5.6102   36.767   7.2713  1363.01  133.151  1490.83  158.181 -127.8218 206.7617 
1 1 1   30    5   11 o  1196.58   87.712   22.867   3.2635   25.886   4.8581   20.384   4.4055  1261.42  124.626  1116.76  128.316 144.6592 178.8758 
1 1 1   30    5   13 o  1197.80   92.300   22.979   3.4351   23.324   5.1467   22.702   4.6130  1189.52  140.918  1178.87  126.970 10.64648 189.6825 
1 1 1   30    5   15 o  1001.57  115.329   16.363   3.5508   16.697   4.4639   15.788   5.8593  999.835  146.970  946.345  203.761 53.48993 251.2347 
1 1 1   30    5   17 o  632.664  135.039   6.7854   2.5937   5.5015   3.7396   7.9755   3.6005  569.964  184.003  676.242  170.173 -106.2786 250.6307 
1 1 1   30    5   19 o  995.383  124.742   16.497   3.8026   19.780   6.7289   14.956   4.6091  1036.94  214.324  927.288  164.775 109.6477 270.3432 
1 1 1   30    5   21 o  1003.04  121.444   16.893   3.7366   12.778   6.4575   18.964   4.5815  798.286  239.367  1050.46  143.003 -252.1697 278.8307 
1 1 1   30    5   23 o  870.815  162.872   13.757   4.2778   18.726   6.4837   9.9261   5.6927  968.964  218.864  696.003  227.197 272.9618 315.4672 
1 1 1   30    5   25 o  292.902  135.263  -1.5664   2.9029 -10.5676   6.0241   1.1560   3.3129  322.442  159.670  380.157  160.978 -57.71515 226.7343 
1 1 1   30    5   27 o  638.214  165.858   7.9379   3.3449   1.5842   5.6825   11.307   4.1376  450.814  200.460  754.813  177.962 -303.9991 268.0576 
1 1 1   30    5   29 o  363.711  154.800   1.2847   3.0901  -1.0230   5.3666   2.4293   3.7795  388.853  181.060  415.567  173.712 -26.71396 250.9153 
1 1 1   30    5   31 o  568.299  179.429   7.0812   3.5711  -0.2120   6.6976   9.9782   4.2212  417.703  196.955  663.612  192.123 -245.9095 275.1412 
1 1 1   30    5   33 o  769.162  175.573   13.015   4.1354   19.812   7.3965   9.9243   4.9879  780.301  259.180  604.820  212.540 175.4808 335.1826 
1 1 1   30    6    0 o  611.966  128.126   6.2284   2.3764   5.3776   3.4958   6.9593   3.2403  570.888  177.105  641.362  161.460 -70.47339 239.6572 
1 1 1   30    6    2 o  414.594  151.602   2.3187   2.5662   11.397   5.6929   0.0036   2.8748  807.981  219.373  346.013  148.337 461.9677 264.8174 
1 1 1   30    6    4 o  326.464  135.200   0.5331   2.2592  -1.6955   3.8788   1.6773   2.7793  360.244  162.465  397.149  154.873 -36.90546 224.4556 
1 1 1   30    6    6 o  1131.55   90.672   20.455   3.1857   17.379   4.5738   23.353   4.4396  1025.59  146.596  1201.07  119.641 -175.4734 189.2200 
1 1 1   30    6    8 o  306.233  126.059   0.5274   1.9480   6.3318   2.9929  -3.7390   2.5659  611.337  155.872  240.387  115.680 370.9497 194.1080 
1 1 1   30    6   10 o  396.576  146.206   2.0876   2.3937   1.1567   3.1546   3.3510   3.6751  395.631  161.351  491.652  181.175 -96.02075 242.6078 
1 1 1   30    6   12 o  614.489  128.530   6.3110   2.3936   6.4735   3.5356   6.1735   3.2522  616.145  175.039  602.325  166.751 13.81976 241.7529 
1 1 1   30    6   14 o  360.362  141.937   1.3059   2.3540   4.6050   3.7440  -0.8510   3.0273  538.557  184.414  329.894  146.520 208.6631 235.5352 
1 1 1   30    6   16 o  360.780  140.089   1.4465   2.2666   2.6080   3.5121   0.6174   2.9673  455.916  175.101  366.487  153.611 89.42908 232.9307 
1 1 1   30    6   18 o  793.312  134.021   10.609   3.2106   12.840   5.7555   9.6013   3.8684  833.920  217.976  739.219  170.589 94.70117 276.7926 
1 1 1   30    6   20 o  1266.64  111.850   26.458   4.3906   24.388   7.4611   27.555   5.4304  1141.66  216.637  1276.40  138.072 -134.7334 256.8953 
1 1 1   30    6   22 o  277.850  129.291  -1.9949   2.7295  -1.7065   5.5145  -2.0885   3.1413  413.076  189.169  300.221  139.367 112.8553 234.9638 
1 1 1   30    6   24 o  ?   ?   -9.6866   2.4590 -18.7360   4.5489  -5.9508   2.9228  ?   ?   226.293  111.908 0.000000 111.9080 
1 1 1   30    6   26 o  500.647  184.822   4.6226   3.8275   10.876   6.2367   0.8443   4.8479  689.010  237.912  420.831  186.234 268.1791 302.1342 
1 1 1   30    6   28 f  611.425  175.849   7.5840   3.5469  -0.8329   6.5477   11.080   4.2196  427.801  199.462  735.667  183.728 -307.8660 271.1845 
1 1 1   30    6   30 o  466.905  175.541   4.3006   3.4839   6.9003   6.6164   3.3033   4.0980  541.179  228.235  441.376  182.382 99.80270 292.1548 
1 1 1   30    6   32 o  228.157  114.569  -8.4948   3.6043   0.0000   0.0000  -8.4948   3.6043  ?   ?   228.157  114.569 0.000000 114.5693 
1 1 1   30    6   34 o  450.310  175.021   4.6282   3.5406  -0.5040   5.7045   7.8439   4.5155  372.823  177.537  539.605  200.439 -166.7818 267.7599 
1 1 1   30    7    1 o  359.438  145.113   1.0046   2.5220   3.3203   5.1083   0.2583   2.9000  537.367  209.849  355.319  150.545 182.0484 258.2644 
1 1 1   30    7    3 o  519.661  139.055   4.5100   2.3072   5.7419   3.3557   3.4058   3.1772  585.549  171.811  480.972  169.574 104.5772 241.4012 
1 1 1   30    7    5 o  942.824   98.245   14.284   2.8578   11.590   4.1149   16.793   3.9719  829.142  164.302  1014.76  127.841 -185.6185 208.1792 
1 1 1   30    7    7 o  379.783  141.168   1.8469   2.2406   0.2001   3.2185   3.3955   3.1211  370.503  157.844  478.368  168.124 -107.8660 230.6088 
1 1 1   30    7    9 o  588.965  136.358   5.8199   2.4651   1.6920   3.4825   9.9655   3.4899  428.294  171.360  770.863  149.981 -342.5684 227.7248 
1 1 1   30    7   11 o  364.580  148.715   0.9396   2.6805   0.1729   3.1738   2.8472   5.0063  366.769  156.510  518.221  206.073 -151.4525 258.7692 
1 1 1   30    7   13 o  919.769  104.398   13.691   2.9534   14.095   4.1582   13.280   4.1956  918.422  149.754  888.423  156.537 29.99902 216.6338 
1 1 1   30    7   15 o  495.687  140.981   4.1278   2.2922   6.3046   3.2496   1.9724   3.2337  605.939  166.254  424.394  166.612 181.5446 235.3717 
1 1 1   30    7   17 o  562.216  161.323   5.4435   2.9882  -1.0998   5.9806   7.6206   3.4497  457.408  204.361  660.963  166.705 -203.5550 263.7310 
1 1 1   30    7   19 o  393.547  154.872   1.7718   2.8004   4.8847   5.0424   0.3836   3.3674  559.261  210.993  374.931  160.634 184.3302 265.1813 
1 1 1   30    7   21 o  433.324  169.664   2.4597   3.3459   0.0000   0.0000   2.4597   3.3459  ?   ?   433.324  169.664 0.000000 169.6641 
1 1 1   30    7   23 o  787.802  167.395   11.412   4.0019   0.0000   0.0000   11.412   4.0019  ?   ?   787.802  167.395 0.000000 167.3946 
1 1 1   30    7   25 o  403.974  165.497   1.9122   3.3376   0.0000   0.0000   1.9122   3.3376  ?   ?   403.974  165.497 0.000000 165.4971 
1 1 1   30    7   27 o  350.472  153.925   0.3265   3.2528   0.0000   0.0000   0.3265   3.2528  ?   ?   350.472  153.925 0.000000 153.9248 
1 1 1   30    7   29 o  518.223  199.875   5.5637   4.5902   0.0000   0.0000   5.5637   4.5902  ?   ?   518.223  199.875 0.000000 199.8754 
1 1 1   30    7   31 o  327.641  150.019  -0.5520   3.4662  -4.1928   5.7634   1.5111   4.3385  352.493  170.544  397.945  176.138 -45.45200 245.1730 
1 1 1   30    7   33 o  438.485  194.854   3.4629   5.3608   3.4629   5.3608   0.0000   0.0000  438.485  194.854  ?   ?  0.000000 194.8536 
1 1 1   30    8    0 o  856.396  122.070   11.958   3.1808   14.537   5.9598   10.931   3.7612  916.498  211.908  809.008  154.105 107.4900 262.0180 
1 1 1   30    8    2 o  1455.52   95.172   33.766   4.3136   38.641   7.5929   31.443   5.2417  1533.64  160.490  1396.65  121.055 136.9873 201.0260 
1 1 1   30    8    4 o  567.730  133.607   5.3873   2.3356   10.025   3.5952   2.0008   3.0721  773.553  153.844  422.601  163.372 350.9521 224.4069 
1 1 1   30    8    6 o  585.478  131.491   5.7230   2.3516   9.0839   3.5658   3.1360   3.1284  733.679  159.743  468.490  167.934 265.1890 231.7749 
1 1 1   30    8    8 o  639.692  148.788   6.8913   2.9240   5.7296   4.6902   7.6299   3.7398  601.665  206.399  669.024  176.111 -67.35919 271.3217 
1 1 1   30    8   10 o  252.367  118.556  -2.4176   2.3869   2.5550   3.6055  -6.2976   3.1848  462.143  177.432  244.907  120.279 217.2362 214.3575 
1 1 1   30    8   12 o  366.539  155.497   0.3080   3.1002   0.1684   3.9282   0.5386   5.0485  404.444  173.392  461.973  197.272 -57.52936 262.6427 
1 1 1   30    8   14 f  903.645  132.747   13.504   3.6442   15.812   5.4717   11.665   4.8853  955.723  189.533  816.636  193.936 139.0872 271.1717 
1 1 1   30    8   16 o  403.383  157.023   1.8628   2.8532   2.1433   4.0790   1.5941   3.9924  460.312  185.001  441.119  180.893 19.19293 258.7423 
1 1 1   30    8   18 o  1016.81  160.864   17.814   4.9513   0.0000   0.0000   17.814   4.9513  ?   ?   1016.81  160.864 0.000000 160.8642 
1 1 1   30    8   20 o  793.317  192.718   11.647   4.7399   0.0000   0.0000   11.647   4.7399  ?   ?   793.317  192.718 0.000000 192.7184 
1 1 1   30    8   22 o  706.540  196.190   9.5696   4.4948   0.0000   0.0000   9.5696   4.4948  ?   ?   706.540  196.190 0.000000 196.1902 
1 1 1   30    8   24 o  463.228  176.546   3.4237   3.5531   0.0000   0.0000   3.4237   3.5531  ?   ?   463.228  176.546 0.000000 176.5456 
1 1 1   30    8   26 o  236.882  115.735  -4.5606   2.8343   0.0000   0.0000  -4.5606   2.8343  ?   ?   236.882  115.735 0.000000 115.7353 
1 1 1   30    8   28 o  588.702  190.578   7.2316   4.0095   0.0000   0.0000   7.2316   4.0095  ?   ?   588.702  190.578 0.000000 190.5783 
1 1 1   30    8   30 o  236.589  112.812  -2.3270   2.3194   1.4005   3.7804  -4.5770   2.9371  386.782  167.973  238.179  116.674 148.6036 204.5180 
1 1 1   30    8   32 o  441.138  191.684   3.3000   4.9285   3.3000   4.9285   0.0000   0.0000  441.138  191.684  ?   ?  0.000000 191.6843 
1 1 1   30    9    1 o  1002.19  104.573   16.141   3.2333   21.809   5.8342   13.628   3.8843  1146.47  167.458  910.143  140.847 236.3286 218.8151 
1 1 1   30    9    3 o  904.440  113.094   13.241   3.1328   16.267   5.6034   11.865   3.7786  978.983  189.644  845.636  148.098 133.3472 240.6197 
1 1 1   30    9    5 o  784.220  118.465   10.038   2.8183   3.1429   4.7454   13.796   3.5031  521.469  202.640  920.125  124.808 -398.6557 237.9915 
1 1 1   30    9    7 o  690.347  132.248   7.9018   2.7547   4.7342   4.8446   9.4152   3.3487  572.787  208.474  750.878  147.687 -178.0914 255.4857 
1 1 1   30    9    9 o  425.310  150.633   2.6017   2.5098   0.1787   4.3569   3.8051   3.0705  426.136  182.648  495.082  167.018 -68.94565 247.4981 
1 1 1   30    9   11 f  444.328  160.563   2.7767   2.8663   7.5014   4.3252  -0.9230   3.8273  662.731  195.226  373.885  165.465 288.8461 255.9143 
1 1 1   30    9   13 o  276.535  129.396  -2.5936   2.7958  -0.1709   4.1769  -4.5600   3.7631  407.126  176.685  301.885  143.877 105.2404 227.8555 
1 1 1   30    9   15 o  574.954  159.764   5.6600   2.9795   3.8851   4.5591   6.9833   3.9365  529.666  200.433  634.291  186.079 -104.6245 273.4935 
1 1 1   30    9   17 o  351.286  152.038  -0.0223   3.0762   0.3344   4.3774  -0.3704   4.3238  421.376  181.870  403.104  177.242 18.27173 253.9521 
1 1 1   30    9   19 o  1036.59  177.467   19.070   5.5531   0.0000   0.0000   19.070   5.5531  ?   ?   1036.59  177.467 0.000000 177.4668 
1 1 1   30    9   21 o  460.114  176.626   3.0658   3.5724   1.2289   5.7745   4.2047   4.5470  476.975  207.372  518.944  199.253 -41.96863 287.5844 
1 1 1   30    9   23 o  674.675  176.721   8.5554   3.7779   9.7066   6.2945   7.9072   4.7232  683.736  238.844  635.547  206.921 48.18890 316.0111 
1 1 1   30    9   25 o  632.503  179.360   7.7461   3.7158   15.470   6.6517   4.2424   4.4800  837.471  240.801  502.490  196.439 334.9818 310.7626 
1 1 1   30    9   27 o  302.916  142.010  -2.2577   3.3950  -6.3115   5.9970  -0.3457   4.1185  355.209  172.369  370.752  167.288 -15.54269 240.2001 
1 1 1   30    9   29 o  658.773  172.596   8.7458   3.6030   12.400   5.1523   5.2489   5.0404  745.406  211.143  514.146  205.999 231.2599 294.9858 
1 1 1   30    9   31 o  349.370  159.955  -0.4088   3.9395  -0.4088   3.9395   0.0000   0.0000  349.370  159.955  ?   ?  0.000000 159.9552 
1 1 1   30   10    0 o  600.723  145.772   6.0405   2.7141   11.592   4.9518   3.6567   3.2450  823.547  195.035  494.710  171.566 328.8364 259.7569 
1 1 1   30   10    2 f  1374.80   96.111   30.115   4.1114   24.969   7.0111   32.812   5.0757  1220.26  189.650  1430.31  114.285 -210.0602 221.4230 
1 1 1   30   10    4 o  482.954  156.854   3.6869   2.7146   1.3539   4.7761   4.8002   3.2994  474.567  196.559  544.456  172.528 -69.88858 261.5368 
1 1 1   30   10    6 o  394.956  151.232   1.7871   2.6149  -4.5550   4.3900   5.2749   3.2555  338.151  159.448  564.833  170.092 -226.6815 233.1414 
1 1 1   30   10    8 o  555.122  172.023   5.0601   3.2990   5.9368   4.6912   4.2024   4.6402  610.458  206.441  550.737  203.463 59.72168 289.8535 
1 1 1   30   10   10 o  389.939  141.437   2.0738   2.2271   3.1824   3.1666   0.9887   3.1328  471.178  168.950  390.081  160.135 81.09732 232.7813 
1 1 1   30   10   12 o  621.078  139.575   6.4907   2.6483   4.0596   3.5720   9.4578   3.9463  515.436  179.933  742.937  172.883 -227.5008 249.5282 
1 1 1   30   10   14 o  1167.02  119.495   22.209   4.3050   22.071   8.0202   22.265   5.1024  1102.48  239.201  1158.44  143.754 -55.96375 279.0742 
1 1 1   30   10   16 o  584.460  150.635   5.8867   2.7741   5.3753   4.0003   6.3606   3.8503  566.499  190.639  604.561  185.594 -38.06158 266.0607 
1 1 1   30   10   18 o  562.884  155.333   5.5362   2.8272   2.5200   4.0151   8.5025   3.9817  462.919  184.402  687.253  182.108 -224.3334 259.1666 
1 1 1   30   10   20 o  949.734  131.821   15.323   3.8145   19.421   7.0212   13.607   4.5434  999.471  229.228  870.635  172.758 128.8364 287.0378 
1 1 1   30   10   22 o  349.436  153.166  -0.0620   3.2068  -1.0753   5.9459   0.3536   3.8082  437.643  198.880  386.894  168.305 50.74887 260.5376 
1 1 1   30   10   24 o  680.150  206.542   9.2713   4.7856   0.0000   0.0000   9.2713   4.7856  ?   ?   680.150  206.542 0.000000 206.5418 
1 1 1   30   10   26 o  462.374  179.884   3.4531   3.7428   3.8953   7.1998   3.2893   4.3813  531.998  231.423  469.945  190.725 62.05283 299.8881 
1 1 1   30   10   28 o  414.492  177.917   1.6907   4.1449  -3.5082   6.5628   5.1408   5.3462  400.051  190.481  522.385  211.145 -122.3340 284.3683 
1 1 1   30   10   30 o  423.014  188.372   1.4872   5.0366   1.4872   5.0366   0.0000   0.0000  423.014  188.372  ?   ?  0.000000 188.3725 
1 1 1   30   11    1 o  481.279  147.344   3.7492   2.4287   3.1926   3.4417   4.3013   3.4277  482.552  175.704  526.356  176.472 -43.80396 249.0266 
1 1 1   30   11    3 o  837.476  111.681   11.350   2.8557   12.342   4.2324   10.520   3.8690  859.794  163.178  792.826  161.338 66.96777 229.4714 
1 1 1   30   11    5 o  436.583  157.191   2.6460   2.7438  -0.4059   3.7515   6.1566   4.0235  384.185  167.087  611.231  190.069 -227.0460 253.0695 
1 1 1   30   11    7 o  396.070  151.277   1.8166   2.6124  -2.1319   4.4869   3.8415   3.2131  384.138  173.850  501.152  170.845 -117.0132 243.7453 
1 1 1   30   11    9 o  307.339  130.654   0.1040   2.1966  -0.6001   3.0939   0.8197   3.1191  342.194  150.207  384.389  158.997 -42.19434 218.7287 
1 1 1   30   11   11 o  340.164  147.057  -0.1689   2.8713  -2.1303   6.1586   0.3759   3.2457  455.772  205.208  376.501  159.378 79.27121 259.8300 
1 1 1   30   11   13 o  240.044  111.834  -1.8085   2.0520  -1.3696   2.7790  -2.3346   3.0430  301.741  136.666  297.166  137.673 4.574371 193.9878 
1 1 1   30   11   15 o  670.491  137.792   7.6219   2.7962   8.4470   3.7161   6.5451   4.2453  695.539  171.671  615.379  195.777 80.15961 260.3837 
1 1 1   30   11   17 o  646.105  144.801   7.2030   2.8570   7.0351   3.9084   7.3957   4.1867  628.718  185.689  642.788  192.737 -14.06995 267.6339 
1 1 1   30   11   19 o  456.926  156.901   3.3993   2.7107   8.9257   3.7488  -2.6564   3.9243  705.036  171.463  334.838  155.548 370.1985 231.5057 
1 1 1   30   11   21 o  618.238  172.734   6.9803   3.4730   13.799   6.5707   4.3369   4.0912  824.300  240.004  515.295  190.911 309.0057 306.6743 
1 1 1   30   11   23 o  552.852  192.322   5.5830   4.0792   0.0000   0.0000   5.5830   4.0792  ?   ?   552.852  192.322 0.000000 192.3219 
1 1 1   30   11   25 o  271.388  130.600  -4.0176   3.2708  -6.5042   7.1110  -3.3504   3.6836  397.246  191.507  303.261  143.904 93.98499 239.5479 
1 1 1   30   11   27 o  398.262  192.794  -6.4806   7.3898  -6.4806   7.3898   0.0000   0.0000  398.262  192.794  ?   ?  0.000000 192.7941 
1 1 1   30   11   29 o  452.192  192.008   2.8157   4.7339   2.8157   4.7339   0.0000   0.0000  452.192  192.008  ?   ?  0.000000 192.0079 
1 1 1   30   12    0 o  415.839  147.897   2.4264   2.4219   0.3329   3.5132   4.3223   3.3433  392.002  165.871  526.096  174.227 -134.0942 240.5584 
1 1 1   30   12    2 o  561.942  149.399   5.2610   2.6741   4.5534   3.9741   5.8465   3.6149  549.120  189.898  595.257  179.229 -46.13684 261.1209 
1 1 1   30   12    4 o  489.182  157.791   3.7871   2.7505   2.6568   3.8684   4.9428   3.9115  478.246  183.747  562.172  188.513 -83.92633 263.2491 
1 1 1   30   12    6 o  566.468  150.398   5.3645   2.7124   4.7143   4.0204   5.9077   3.6746  554.881  191.050  597.218  180.904 -42.33679 263.1085 
1 1 1   30   12    8 o  280.446  126.962  -1.2561   2.3952  -3.5506   3.5303   0.7011   3.2604  306.089  143.917  388.225  161.732 -82.13593 216.4935 
1 1 1   30   12   10 o  387.776  147.882   1.7749   2.4940   5.2440   3.3038  -2.8215   3.8028  561.714  171.830  333.824  154.390 227.8900 231.0022 
1 1 1   30   12   12 o  1058.20  104.463   18.088   3.4162   13.555   4.7768   22.834   4.8876  888.446  177.910  1178.93  134.826 -290.4809 223.2264 
1 1 1   30   12   14 f  310.307  135.932  -0.3904   2.5223  -0.7192   3.1558   0.1910   4.1969  339.204  150.177  413.360  178.247 -74.15616 233.0772 
1 1 1   30   12   16 o  821.448  123.806   11.247   3.0856   18.138   4.4434   4.8299   4.2881  1039.18  140.130  549.029  196.631 490.1503 241.4543 
1 1 1   30   12   18 o  452.877  160.985   3.1949   2.8692   5.0724   4.1586   1.4893   3.9636  550.495  194.012  430.574  178.759 119.9213 263.8095 
1 1 1   30   12   20 o  607.477  159.423   6.5835   3.0707   3.6792   4.0999   10.294   4.6342  496.674  189.559  742.421  196.337 -245.7472 272.9119 
1 1 1   30   12   22 o  545.298  185.364   5.3221   3.7824   11.448   7.5497   3.2692   4.3704  736.589  261.214  485.033  192.647 251.5556 324.5702 
1 1 1   30   12   24 o  1017.77  156.601   18.554   4.8307   21.235   8.8374   17.412   5.7689  959.275  278.062  948.456  200.520 10.81860 342.8214 
1 1 1   30   12   26 o  266.539  127.459  -3.3228   3.0055   1.9478   6.7751  -4.6141   3.3535  495.302  219.628  266.784  129.330 228.5170 254.8776 
1 1 1   30   12   28 o  528.957  186.306   5.4716   3.8342   23.396   8.3637   0.7021   4.3143  979.378  265.893  399.229  176.229 580.1496 318.9913 
1 1 1   30   13    1 o  703.553  134.013   8.1642   2.8445   4.5169   4.0439   11.736   4.0019  549.960  191.479  840.734  157.812 -290.7734 248.1306 
1 1 1   30   13    3 o  527.316  154.325   4.5729   2.7105  -0.4139   3.9122   9.1767   3.7589  392.942  170.762  739.058  166.435 -346.1161 238.4536 
1 1 1   30   13    5 o  1124.34  101.337   20.221   3.5293   17.755   5.1579   22.392   4.8397  1034.79  164.706  1174.76  133.964 -139.9707 212.3073 
1 1 1   30   13    7 f  322.938  136.990   0.1565   2.4059   1.5889   3.3368  -1.3944   3.4721  420.144  167.867  345.182  154.859 74.96155 228.3864 
1 1 1   30   13    9 o  1114.72  112.049   20.059   3.8581   18.913   5.9372   20.897   5.0757  1055.00  186.552  1126.00  147.508 -70.99841 237.8240 
1 1 1   30   13   11 o  458.590  159.771   3.1746   2.8157   4.6820   3.4983   0.4018   4.7447  538.015  178.223  445.177  190.701 92.83817 261.0175 
1 1 1   30   13   13 o  401.247  154.434   1.9170   2.7358   2.5920   3.4610   0.7927   4.4666  453.863  173.939  440.136  186.676 13.72754 255.1527 
1 1 1   30   13   15 o  525.336  161.263   4.6860   2.9070  -0.5750   4.0035   10.554   4.2280  384.915  169.844  774.333  178.089 -389.4175 246.0951 
1 1 1   30   13   17 o  574.979  158.068   5.7722   2.9342   7.5644   3.9127   3.4692   4.4354  650.213  183.935  505.441  196.049 144.7720 268.8256 
1 1 1   30   13   19 o  276.933  126.589  -1.3577   2.4541   1.0113   3.1020  -5.3211   4.0123  379.658  157.923  299.059  144.094 80.59967 213.7822 
1 1 1   30   13   21 o  321.932  138.048   0.2249   2.4909  -0.8260   3.2660   1.6864   3.8515  335.848  150.465  426.900  176.638 -91.05215 232.0362 
1 1 1   30   13   23 o  594.578  187.880   6.6048   3.9148   11.753   7.4205   4.6194   4.6083  740.868  259.300  528.487  201.145 212.3804 328.1704 
1 1 1   30   13   25 o  657.123  186.460   8.3336   4.0145  -5.1780   8.8047   11.880   4.5106  459.593  219.327  787.580  185.892 -327.9874 287.5067 
1 1 1   30   13   27 o  507.993  182.898   4.7579   3.7146   3.0437   7.8078   5.2594   4.2232  527.394  234.719  529.011  194.326 -1.617065 304.7220 
1 1 1   30   14    0 o  287.617  130.918  -1.5487   2.5900  -0.7710   3.8084  -2.2179   3.5327  379.584  166.635  332.442  151.931 47.14227 225.4998 
1 1 1   30   14    2 o  1054.07  121.728   17.933   3.9438   14.722   5.1008   22.705   6.2188  936.925  180.412  1171.08  174.954 -234.1533 251.3118 
1 1 1   30   14    4 o  635.031  161.305   6.7772   3.2137   7.3477   4.2580   6.0219   4.8988  661.342  193.389  619.540  210.952 41.80249 286.1814 
1 1 1   30   14    6 o  479.086  161.028   3.5427   2.8541   0.0266   3.6726   8.9040   4.5350  390.452  167.533  721.439  195.764 -330.9867 257.6637 
1 1 1   30   14    8 o  676.233  152.390   7.7159   3.1495   4.5490   4.0888   12.336   4.9386  547.218  192.426  846.659  190.849 -299.4407 271.0187 
1 1 1   30   14   10 o  283.935  131.513  -2.1673   2.7745   2.0499   3.6360  -8.0454   4.2927  444.786  176.015  286.851  140.628 157.9355 225.2938 
1 1 1   30   14   12 o  1559.27  106.132   39.203   5.1510   31.317   6.4472   53.121   8.5652  1371.42  152.729  1788.68  154.444 -417.2550 217.2074 
1 1 1   30   14   14 o  321.123  139.621  -0.2082   2.6180  -0.4465   3.2933   0.2009   4.3153  353.048  154.972  417.869  180.466 -64.82117 237.8744 
1 1 1   30   14   16 o  547.747  166.992   5.1645   3.1238   5.0323   4.0662   5.3549   4.8797  552.420  192.025  576.480  209.319 -24.05981 284.0564 
1 1 1   30   14   18 o  506.647  156.780   4.3981   2.7414   3.9245   3.7441   4.9454   4.0249  502.292  183.203  544.723  190.952 -42.43158 264.6243 
1 1 1   30   14   20 o  337.064  143.464   0.3810   2.6543   4.3830   3.4516  -5.4101   4.1521  510.915  176.958  304.438  146.661 206.4766 229.8335 
1 1 1   30   14   22 o  592.817  150.484   6.2553   2.7982   4.8018   3.6573   8.3077   4.3458  526.010  182.155  664.110  195.708 -138.1005 267.3617 
1 1 1   30   14   24 o  856.889  170.682   13.444   4.4187   16.125   10.296   12.838   4.8922  812.210  302.471  819.953  193.639 -7.743286 359.1447 
1 1 1   30   14   26 o  369.864  163.313   0.0429   3.7077  -2.2896   10.555   0.3712   3.9601  520.289  245.908  387.597  170.042 132.6917 298.9737 
1 1 1   30   15    1 f  651.234  166.973   7.1242   3.4210   6.2386   4.5511   8.2746   5.1870  622.782  203.133  703.398  215.327 -80.61652 296.0214 
1 1 1   30   15    3 o  368.416  154.653   0.4473   3.0151   0.4435   4.2050   0.4512   4.3255  427.681  181.246  433.354  183.747 -5.672821 258.0949 
1 1 1   30   15    5 o  1111.25  120.110   19.967   4.1129   19.234   5.3230   21.052   6.4788  1076.43  163.032  1115.56  192.424 -39.13770 252.2031 
1 1 1   30   15    7 o  477.624  157.300   3.6001   2.7266   4.2859   3.3198   2.1786   4.7794  520.582  173.673  493.711  199.610 26.87149 264.5874 
1 1 1   30   15    9 f  854.675  123.245   11.988   3.2030   10.158   4.3447   14.166   4.7404  766.872  183.407  912.801  172.166 -145.9285 251.5538 
1 1 1   30   15   11 o  303.349  134.696  -0.7447   2.5568  -3.6557   3.5614   2.3514   3.6728  303.968  143.416  454.526  177.817 -150.5585 228.4447 
1 1 1   30   15   13 o  349.881  148.296   0.3482   2.8157  -2.5917   3.8729   3.6447   4.1010  338.808  156.382  508.957  190.629 -170.1495 246.5660 
1 1 1   30   15   15 o  894.187  121.773   13.233   3.3209   12.407   4.5554   14.171   4.8515  841.022  178.505  900.326  178.397 -59.30426 252.3675 
1 1 1   30   15   17 o  847.939  136.105   12.142   3.4915   8.6796   4.4731   17.541   5.5856  692.646  196.921  994.882  186.143 -302.2361 270.9745 
1 1 1   30   15   19 o  390.214  151.476   1.8541   2.6495   1.7652   3.4711   1.9781   4.1010  419.561  169.942  448.897  183.624 -29.33597 250.1958 
1 1 1   30   15   21 o  264.039  123.429  -2.1333   2.5332  -3.7434   3.4464  -0.2413   3.7362  290.460  138.227  373.724  164.531 -83.26413 214.8891 
1 1 1   30   15   23 o  355.951  148.393   0.8965   2.7476   1.7874   3.7041  -0.1933   4.0970  422.678  173.890  387.704  171.407 34.97458 244.1682 
1 1 1   30   15   25 o  532.675  165.297   5.1714   3.0449   3.5070   4.1418   7.1289   4.4918  481.911  188.745  608.386  201.969 -126.4750 276.4353 
1 1 1   30   16    0 o  611.476  203.912   5.9337   4.5767   5.9337   4.5767   0.0000   0.0000  611.476  203.912  ?   ?  0.000000 203.9117 
1 1 1   30   16    2 o  630.438  152.981   6.6716   2.9892   8.2111   4.6112   5.5556   3.9259  695.852  200.611  585.757  188.472 110.0953 275.2569 
1 1 1   30   16    4 o  492.746  159.561   3.8637   2.8105   1.1726   4.4399   5.6629   3.6304  455.423  189.145  585.194  180.309 -129.7716 261.3181 
1 1 1   30   16    6 o  707.406  138.826   8.3453   2.9653   3.3727   3.8615   15.492   4.6292  499.381  185.383  963.330  159.016 -463.9498 244.2397 
1 1 1   30   16    8 o  738.707  134.556   9.0796   2.9977   8.3478   4.0120   10.005   4.5104  696.214  181.996  759.919  190.046 -63.70532 263.1347 
1 1 1   30   16   10 o  573.061  152.322   5.5783   2.7802   8.0603   3.9665   3.1815   3.8979  682.217  182.231  490.650  185.411 191.5676 259.9716 
1 1 1   30   16   12 o  206.957  101.609  -4.4715   2.2673  -9.9770   2.9177   3.9216   3.6025  192.568   97.426  507.496  180.389 -314.9279 205.0172 
1 1 1   30   16   14 o  515.557  163.771   4.4344   2.9716   3.4399   3.8845   5.8375   4.6139  495.195  185.518  593.493  204.648 -98.29709 276.2209 
1 1 1   30   16   16 o  502.071  163.951   4.1836   2.9643   5.4204   4.2619   3.0244   4.1259  570.578  196.690  486.061  188.930 84.51712 272.7299 
1 1 1   30   16   18 o  431.740  163.371   2.5251   3.0289   3.1604   4.0011   1.6724   4.6356  483.956  186.624  461.801  192.653 22.15457 268.2234 
1 1 1   30   16   20 o  454.591  162.366   3.2214   2.9219   0.1030   3.9906   6.8257   4.2901  395.285  172.122  615.580  196.911 -220.2948 261.5334 
1 1 1   30   16   22 o  268.387  125.557  -2.2187   2.6300  -0.8310   3.6072  -3.7934   3.8426  353.598  158.294  310.661  147.287 42.93689 216.2190 
1 1 1   30   16   24 o  491.832  165.768   4.1938   3.0247  -1.3571   4.3451   9.4128   4.2131  373.564  169.857  706.920  187.328 -333.3560 252.8698 
1 1 1   30   17    1 o  850.146  196.299   12.368   5.1198   12.368   5.1198   0.0000   0.0000  850.146  196.299  ?   ?  0.000000 196.2987 
1 1 1   30   17    3 o  558.786  192.884   4.8105   4.0992   7.2875   4.6056  -4.6328   8.9925  658.789  203.105  525.714  241.051 133.0753 315.2094 
1 1 1   30   17    5 o  1157.04  112.756   21.591   4.0332   21.573   5.3939   21.612   6.0741  1142.25  154.797  1134.55  176.734 7.697754 234.9402 
1 1 1   30   17    7 o  614.464  148.574   6.3800   2.8272   8.3434   3.9833   4.3868   4.0134  696.846  180.947  538.668  190.514 158.1780 262.7501 
1 1 1   30   17    9 o  231.545  110.866  -3.0929   2.2900  -2.1190   3.0317  -4.3868   3.4944  301.424  138.855  289.071  138.012 12.35342 195.7750 
1 1 1   30   17   11 o  374.357  146.036   1.5132   2.4719   5.1091   3.4293  -2.3756   3.5662  553.963  175.929  327.309  150.712 226.6543 231.6579 
1 1 1   30   17   13 f  369.685  142.135   1.5982   2.3157  -2.8526   3.1267   7.0055   3.4463  291.620  136.577  636.221  169.821 -344.6007 217.9278 
1 1 1   30   17   15 o  528.297  183.318   4.4723   3.7050   0.0000   0.0000   4.4723   3.7050  ?   ?   528.297  183.318 0.000000 183.3178 
1 1 1   30   17   17 o  433.139  155.124   2.7987   2.6688   4.8615   3.7935   0.7772   3.7553  542.422  185.630  406.127  171.650 136.2947 252.8278 
1 1 1   30   17   19 o  522.586  159.538   4.6976   2.8498   2.9687   3.9459   6.5828   4.1202  475.768  184.809  609.384  192.765 -133.6158 267.0446 
1 1 1   30   17   21 o  344.396  141.676   0.8906   2.4586   1.4063   3.9565   0.5662   3.1380  426.551  177.968  367.905  156.277 58.64575 236.8441 
1 1 1   30   17   23 o  380.827  150.429   1.6871   2.6512   3.2035   4.2176   0.6965   3.4090  482.724  190.032  381.546  162.496 101.1781 250.0342 
1 1 1   30   18    0 o  766.962  161.624   9.8837   3.7590   12.590   5.2390   7.0115   5.3966  856.911  199.056  659.152  221.427 197.7587 297.7464 
1 1 1   30   18    2 o  547.752  199.241   4.2772   4.4240   3.5641   4.9936   6.8787   9.5382  541.425  208.572  728.074  286.046 -186.6489 354.0120 
1 1 1   30   18    4 o  433.431  175.740   1.5073   3.7161   0.6531   4.0296   6.3653   9.6100  423.276  178.292  716.439  285.317 -293.1635 336.4435 
1 1 1   30   18    6 o  734.377  184.359   9.2677   4.2330   11.143   4.6416   0.0000   10.319  804.797  187.644  623.245  273.927 181.5521 332.0338 
1 1 1   30   18    8 o  410.335  156.837   2.0068   2.8092  -4.7527   4.0558   8.2398   3.8946  315.686  150.150  692.453  178.491 -376.7674 233.2471 
1 1 1   30   18   10 o  371.234  147.682   1.2945   2.5721  -4.3063   3.5990   7.1416   3.6773  296.259  141.060  644.638  176.847 -348.3791 226.2140 
1 1 1   30   18   12 o  439.181  152.929   2.9128   2.5795   8.8198   3.6742  -2.8287   3.6224  715.896  166.972  321.793  149.475 394.1028 224.1032 
1 1 1   30   18   14 o  694.410  140.570   8.1565   2.9516   4.9860   3.9400   12.212   4.4560  554.076  189.182  839.702  175.142 -285.6259 257.8073 
1 1 1   30   18   16 o  493.457  155.459   4.0555   2.6818   2.6318   3.6415   5.7428   3.9644  459.562  177.810  581.442  189.587 -121.8799 259.9221 
1 1 1   30   18   18 o  512.572  184.829   4.0800   3.7951   10.193   9.7729   2.9945   4.1183  756.164  291.647  484.159  188.600 272.0041 347.3154 
1 1 1   30   18   20 o  308.466  136.245  -0.5001   2.5824  -5.2732   3.9337   3.1148   3.4234  296.738  142.903  465.162  174.181 -168.4235 225.3003 
1 1 1   30   19    1 o  346.557  149.178  -0.1061   2.9292   2.9437   3.9910  -3.6671   4.3126  490.725  187.088  347.960  162.116 142.7650 247.5554 
1 1 1   30   19    3 o  525.302  180.333   4.2371   3.5807   8.5923   5.0186  -0.2788   5.1104  709.302  210.644  449.485  195.251 259.8172 287.2172 
1 1 1   30   19    5 o  544.455  190.146   4.5153   3.9893   5.8301   4.2991  -3.6332   10.703  599.293  197.525  588.125  267.096 11.16754 332.1989 
1 1 1   30   19    7 o  504.964  191.059   3.2978   4.1423   3.6381   4.4698   1.2275   11.024  525.763  198.580  657.831  286.265 -132.0671 348.3987 
1 1 1   30   19    9 o  588.324  193.303   5.6745   4.1184   6.7192   4.3944  -1.8680   11.808  631.373  199.007  632.789  284.599 -1.416138 347.2754 
1 1 1   30   19   11 o  470.720  167.902   3.2571   3.1236  -1.2241   4.0827   9.5829   4.8507  378.862  169.089  739.531  203.210 -360.6685 264.3583 
1 1 1   30   19   13 o  759.591  168.047   9.9188   3.8910   13.356   5.5855   6.6777   5.4236  867.846  208.208  637.317  221.759 230.5292 304.1839 
1 1 1   30   19   15 o  509.571  162.027   4.3020   2.9081   2.3929   3.5944   7.9194   4.9478  451.526  176.111  672.336  211.052 -220.8097 274.8784 
1 1 1   30   19   17 o  525.882  157.052   4.7013   2.7840   2.3181   3.4590   9.0844   4.6910  442.360  172.699  712.453  201.352 -270.0938 265.2686 
1 1 1   30   19   19 o  578.600  163.852   5.8321   3.1032   4.9628   3.8570   7.4276   5.2253  546.364  187.176  648.071  217.883 -101.7079 287.2414 
1 1 1   30   20    0 o  484.828  188.104   2.6465   4.0841   1.6328   4.3884   9.2039   11.162  466.504  190.286  804.979  311.344 -338.4742 364.8888 
1 1 1   30   20    2 o  456.995  194.484   0.4777   4.8767   6.2313   5.4118 -24.3782   11.248  633.519  221.455  435.463  216.081 198.0558 309.4082 
1 1 1   30   20    4 o  541.466  193.650   4.2984   4.1577   5.8498   6.9085   3.4175   5.2059  651.364  246.671  543.397  211.944 107.9670 325.2185 
1 1 1   30   20    6 o  823.042  174.613   11.505   4.3606   8.2401   5.9974   15.168   6.3516  702.905  233.378  930.987  221.159 -228.0816 321.5225 
1 1 1   30   20    8 o  410.744  178.322  -0.2494   4.2579   0.9943   4.4667 -12.6221   14.089  450.203  188.572  589.159  280.112 -138.9559 337.6721 
1 1 1   30   20   10 o  302.151  144.591  -5.0314   3.8828  -5.0314   3.8828   0.0000   0.0000  302.151  144.591  ?   ?  0.000000 144.5913 
1 1 1   30   20   12 o  386.818  169.448  -0.5058   3.9195  -1.7465   4.0793   14.412   14.145  367.990  166.224  905.038  350.368 -537.0488 387.7991 
1 1 1   30   20   14 o  493.860  178.652   3.5772   3.5498   4.2192   5.1148   2.9806   4.9307  555.925  211.833  515.556  204.669 40.36890 294.5548 
1 1 1   30   20   16 o  487.462  179.971   3.3944   3.6294  -1.1554   4.9613   8.6321   5.3233  418.266  186.557  698.243  218.868 -279.9770 287.5877 
1 1 1   30   21    1 o  573.648  214.862   4.3988   5.2099   5.2869   5.6690  -0.4286   13.216  611.141  225.046  698.362  308.351 -87.22125 381.7405 
1 1 1   30   21    3 o  555.581  213.846   3.7675   5.2459   3.2668   5.6750   6.7083   13.752  554.936  219.805  804.433  333.390 -249.4977 399.3286 
1 1 1   30   21    5 o  519.095  209.960   2.3902   5.2903   3.1942   5.7168  -2.4029   13.958  553.449  220.170  688.237  309.494 -134.7871 379.8174 
1 1 1   30   21    7 o  723.270  221.386   8.9539   5.4832   12.511   5.9324 -11.9018   14.365  845.942  221.391  605.203  286.298 240.7397 361.9120 
1 1 1   30   21    9 o  588.240  230.552   4.1509   6.1830   0.2512   6.8928   20.214   13.989  525.806  227.579  1029.88  356.277 -504.0719 422.7593 
1 1 1   30   21   11 o  530.727  206.852   3.3562   4.9560   4.4450   5.2889  -4.4849   14.193  571.279  215.953  660.896  302.962 -89.61713 372.0504 
1 1 1   30   21   13 o  567.013  201.649   4.9450   4.5022   4.3638   4.8451   8.6209   12.184  555.814  207.395  786.553  318.463 -230.7389 380.0410 
1 1 1   30   22    0 o  785.084  277.832   9.8391   8.5366   7.4936   10.260   15.116   15.389  760.514  297.287  968.351  367.807 -207.8361 472.9290 
1 1 1   30   22    2 o  788.806  348.116   0.6716   16.825   0.0000   0.0000   0.6716   16.825  ?   ?   788.806  348.116 0.000000 348.1161 
1 1 1   30   22    4 o  527.831  223.462   1.0517   6.3817  -0.2673   7.0317   7.2135   15.198  525.358  228.620  837.923  349.137 -312.5654 417.3297 
1 1 1   30   22    6 o  527.810  224.544   0.9033   6.4966   3.9594   7.1886 -12.7176   15.176  614.207  246.038  621.920  294.227 -7.712769 383.5417 
1 1 1   30   22    8 o  363.609  174.201  -7.3310   5.6721  -2.3437   6.2097 -32.4496   13.936  456.597  205.774  468.199  233.648 -11.60223 311.3426 
1 1 1   30   22   10 o  672.925  241.794   7.0547   6.4891   14.370   7.2741 -21.4604   14.361  896.621  249.798  535.598  261.428 361.0228 361.5850 
1 1 1   30   23    3 f  728.675  328.919  -3.4842   15.940   0.0000   0.0000  -3.4842   15.940  ?   ?   728.675  328.919 0.000000 328.9192 
1 1 1   30   23    5 o  569.597  250.630  -0.9024   8.6595   7.4247   10.660 -17.0557   14.848  764.333  301.729  584.165  280.389 180.1680 411.8959 
1 1 1   30   23    7 o  662.810  230.706   6.9082   5.8703   5.5657   6.4895   12.953   13.771  636.522  239.528  906.086  347.027 -269.5637 421.6648 
1 1 1   30   24    0 o  614.565  197.024   6.1005   4.2932   7.5594   4.4422 -14.5636   16.718  672.523  197.777  654.041  309.236 18.48285 367.0732 
1 1 1   31    0    1 o  1932.31  118.348   59.824   7.0992   59.824   7.0992   59.824   7.0992  1932.31  118.348  1932.31  118.348 -0.000000 0.000000 
1 1 1   31    0    3 o  281.132  170.811   1.2188   2.8037   1.2188   2.8037   1.2188   2.8037  281.132  170.811  281.132  170.811 -0.000000 0.000000 
1 1 1   31    0    5 o  1019.60  238.931   19.351   6.6292   19.351   6.6292   19.351   6.6292  1019.60  238.931  1019.60  238.931 -0.000000 0.000000 
1 1 1   31    0    7 o  1006.13  138.469   16.973   4.1272   16.973   4.1272   16.973   4.1272  1006.13  138.469  1006.13  138.469 -0.000000 0.000000 
1 1 1   31    0    9 o  385.439  201.028   3.5215   3.1704   3.5215   3.1704   3.5215   3.1704  385.439  201.028  385.439  201.028 -0.000000 0.000000 
1 1 1   31    0   11 o  734.876  188.475   10.156   3.7489   10.156   3.7489   10.156   3.7489  734.876  188.475  734.876  188.475 -0.000000 0.000000 
1 1 1   31    0   13 o  174.429  122.908  -3.0201   2.6540  -3.0201   2.6540  -3.0201   2.6540  174.429  122.908  174.429  122.908 -0.000000 0.000000 
1 1 1   31    0   15 o  2549.18  128.829  104.148   10.223  104.148   10.223  104.148   10.223  2549.18  128.829  2549.18  128.829 -0.000000 0.000000 
1 1 1   31    0   17 o  427.110  222.047   4.4123   3.8586   4.4123   3.8586   4.4123   3.8586  427.110  222.047  427.110  222.047 -0.000000 0.000000 
1 1 1   31    0   19 f  482.683  224.349   5.6195   3.7615   5.6195   3.7615   5.6195   3.7615  482.683  224.349  482.683  224.349 -0.000000 0.000000 
1 1 1   31    0   21 o  621.007  309.824   10.188   7.3314   10.188   7.3314   10.188   7.3314  621.007  309.824  621.007  309.824 -0.000000 0.000000 
1 1 1   31    0   23 o  237.207  161.014  -1.6053   3.5981  -1.6053   3.5981  -1.6053   3.5981  237.207  161.014  237.207  161.014 -0.000000 0.000000 
1 1 1   31    0   25 o  681.710  241.699   10.261   4.6958   10.261   4.6958   10.261   4.6958  681.710  241.699  681.710  241.699 -0.000000 0.000000 
1 1 1   31    0   27 o  243.219  167.816  -2.7292   4.2789  -2.7292   4.2789  -2.7292   4.2789  243.219  167.816  243.219  167.816 -0.000000 0.000000 
1 1 1   31    0   29 o  249.863  169.851  -1.6918   4.0336  -1.6918   4.0336  -1.6918   4.0336  249.863  169.851  249.863  169.851 -0.000000 0.000000 
1 1 1   31    0   31 o  272.638  179.485  -0.1945   3.9022  -0.1945   3.9022  -0.1945   3.9022  272.638  179.485  272.638  179.485 -0.000000 0.000000 
1 1 1   31    0   33 o  273.189  179.510  -0.0833   3.8763  -0.0833   3.8763  -0.0833   3.8763  273.189  179.510  273.189  179.510 -0.000000 0.000000 
1 1 1   31    1    0 o  482.867  140.002   3.8607   2.2401   3.7094   3.0786   4.0309   3.2655  490.305  167.229  508.319  172.236 -18.01340 240.0644 
1 1 1   31    1    2 o  763.242  106.623   9.4732   2.4786   8.9438   3.5136   9.9976   3.4970  726.660  158.853  771.819  150.102 -45.15839 218.5517 
1 1 1   31    1    4 o  750.625  131.820   9.3437   2.9852   15.966   5.5856   6.6958   3.5320  963.466  191.889  626.753  173.871 336.7123 258.9448 
1 1 1   31    1    6 o  465.004  146.429   3.5053   2.3796   3.6441   2.7919   3.1367   4.5498  479.951  159.227  511.224  198.485 -31.27307 254.4594 
1 1 1   31    1    8 o  336.441  134.491   0.9876   2.1431   3.9793   3.0770  -1.8307   2.9865  500.609  167.204  304.809  139.450 195.7998 217.7230 
1 1 1   31    1   10 o  634.417  128.195   6.7257   2.4590   8.9371   3.6125   4.8165   3.3566  723.134  163.392  541.396  174.279 181.7385 238.8939 
1 1 1   31    1   12 o  522.214  144.022   4.5986   2.4313   8.3273   3.5485   1.2991   3.3380  696.453  165.214  407.239  166.017 289.2148 234.2166 
1 1 1   31    1   14 o  856.239  106.788   11.947   2.8009   11.812   4.1341   12.061   3.8080  830.473  164.795  845.482  149.297 -15.00903 222.3667 
1 1 1   31    1   16 o  563.282  150.012   5.4493   2.6931   7.7496   4.2188   3.8673   3.4988  662.084  192.181  500.141  177.774 161.9430 261.7956 
1 1 1   31    1   18 o  279.176  124.860  -0.7514   2.2387  -6.8143   3.5506   3.2492   2.8842  256.965  126.361  456.454  161.498 -199.4899 205.0579 
1 1 1   31    1   20 o  375.399  144.969   1.7882   2.4170   11.047   3.7160  -5.0008   3.1821  790.733  155.625  256.294  124.643 534.4389 199.3866 
1 1 1   31    1   22 o  312.515  135.283   0.1211   2.4364  -1.6466   3.4714   1.8371   3.4203  324.770  149.229  409.844  167.676 -85.07379 224.4648 
1 1 1   31    1   24 o  562.754  186.799   6.1680   3.8424   6.1680   3.8424   0.0000   0.0000  562.754  186.799  ?   ?  0.000000 186.7988 
1 1 1   31    1   26 o  592.826  158.777   6.7728   3.0064   9.4620   4.0334   3.4109   4.5098  681.665  184.473  466.111  191.829 215.5540 266.1366 
1 1 1   31    1   28 o  787.969  162.978   12.224   3.8885   8.4015   6.6961   14.169   4.7764  581.268  235.828  819.474  189.863 -238.2058 302.7585 
1 1 1   31    1   30 o  386.586  157.378   2.3479   2.9943  -3.0901   3.8954   10.201   4.6813  300.910  144.215  651.877  205.393 -350.9669 250.9670 
1 1 1   31    1   32 o  346.219  156.120   0.6090   3.5804   3.4127   4.1478  -7.5880   7.0922  423.270  179.727  343.622  170.691 79.64774 247.8653 
1 1 1   31    2    1 o  433.207  140.655   2.9656   2.1829   0.2796   3.0149   5.9257   3.1649  361.546  153.357  592.032  164.712 -230.4864 225.0519 
1 1 1   31    2    3 o  613.417  131.480   6.2907   2.4495   6.2975   3.5587   6.2846   3.3767  609.599  176.379  608.548  170.428 1.051270 245.2654 
1 1 1   31    2    5 o  815.933  117.879   10.892   2.9243   8.9963   3.6860   14.113   4.8039  726.449  165.710  910.917  174.780 -184.4678 240.8480 
1 1 1   31    2    7 o  1594.16   99.039   40.680   4.9193   41.235   5.9505   39.482   8.7431  1596.99  119.872  1529.05  186.475 67.93909 221.6803 
1 1 1   31    2    9 o  463.295  140.976   3.5248   2.2279   4.1777   3.2682   2.9581   3.0450  512.928  172.314  456.387  165.406 56.54102 238.8539 
1 1 1   31    2   11 o  1361.62   88.394   29.609   3.7483   30.421   5.5548   28.930   5.0790  1364.28  131.667  1333.70  123.004 30.57410 180.1839 
1 1 1   31    2   13 o  450.042  148.250   3.2226   2.4218   5.4268   3.5672   1.3379   3.2986  568.615  179.308  406.252  165.259 162.3634 243.8479 
1 1 1   31    2   15 f  1345.27   90.298   29.025   3.7816   29.409   5.6725   28.718   5.0735  1333.56  137.835  1324.45  123.771 9.110352 185.2504 
1 1 1   31    2   17 o  980.517   99.633   15.635   3.0165   12.730   4.4181   18.172   4.1285  853.432  171.284  1045.47  128.841 -192.0337 214.3318 
1 1 1   31    2   19 o  293.267  128.564  -0.2867   2.2601  -2.3671   3.2802   1.5935   3.1183  305.668  142.069  398.730  161.225 -93.06192 214.8888 
1 1 1   31    2   21 o  371.718  144.424   1.7547   2.4102   2.4732   3.2969   0.9300   3.5323  429.634  168.363  390.489  165.835 39.14429 236.3206 
1 1 1   31    2   23 o  363.034  143.295   1.6458   2.4041  -2.6800   3.4227   5.8582   3.3776  301.076  141.608  557.469  174.274 -256.3932 224.5530 
1 1 1   31    2   25 o  878.221  115.500   13.337   3.0991   16.151   4.2835   10.245   4.4894  938.557  150.865  706.237  196.061 232.3196 247.3872 
1 1 1   31    2   27 o  243.696  115.459  -2.1558   2.3535  -4.7191   3.4164   0.1591   3.2467  263.657  128.431  342.401  151.922 -78.74396 198.9344 
1 1 1   31    2   29 o  531.911  163.339   5.7826   2.9821  -1.1376   4.2283   12.631   4.2063  347.041  161.299  780.630  176.255 -433.5889 238.9206 
1 1 1   31    2   31 o  299.439  137.520  -0.6578   2.9429  -6.1670   3.8415   7.1690   4.5787  259.459  128.307  539.175  201.529 -279.7161 238.9074 
1 1 1   31    2   33 f  462.789  173.568   4.9653   3.4020   8.9363   4.5081  -0.2874   5.1848  575.273  202.065  364.721  172.373 210.5521 265.5984 
1 1 1   31    3    0 o  297.291  126.869   0.0396   2.0856   1.7119   3.9158  -0.6227   2.4643  447.237  180.728  301.968  133.247 145.2698 224.5382 
1 1 1   31    3    2 o  458.226  143.496   3.3948   2.2888   4.6885   3.2984   2.1934   3.1787  537.038  172.749  432.892  166.505 104.1459 239.9294 
1 1 1   31    3    4 o  765.547  107.512   9.5370   2.5061   9.6258   3.5961   9.4532   3.4946  754.727  157.269  748.692  154.198 6.035217 220.2511 
1 1 1   31    3    6 o  517.021  137.773   4.4841   2.2707   6.5362   3.3606   2.7601   3.0803  619.470  168.697  450.250  165.875 169.2203 236.5861 
1 1 1   31    3    8 o  616.662  149.314   6.4425   2.8524   11.022   3.5206  -2.3075   4.8663  812.437  143.645  396.216  180.003 416.2209 230.2933 
1 1 1   31    3   10 o  351.298  138.039   1.2429   2.2216  -2.4381   3.3122   4.2531   2.9952  312.003  144.224  511.265  164.636 -199.2619 218.8737 
1 1 1   31    3   12 o  1119.04   89.500   20.054   3.1098   16.210   4.3923   23.919   4.4036  986.328  146.682  1213.50  117.358 -227.1746 187.8524 
1 1 1   31    3   14 o  512.987  139.961   4.4481   2.3107   6.0637   3.2746   2.8458   3.2610  594.300  168.322  456.810  170.208 137.4897 239.3802 
1 1 1   31    3   16 o  1108.04   93.514   19.802   3.2142   13.516   4.5012   26.343   4.5913  884.041  168.763  1269.31  116.829 -385.2688 205.2558 
1 1 1   31    3   18 f  879.391  108.366   12.745   2.9208   13.857   4.2014   11.705   4.0634  895.435  155.486  816.925  164.540 78.51068 226.3826 
1 1 1   31    3   20 o  258.837  120.237  -1.7591   2.3443  -4.9826   3.5690   0.6870   3.1090  278.292  134.534  367.487  155.797 -89.19540 205.8449 
1 1 1   31    3   22 o  216.249  105.282  -3.7056   2.2872  -4.7886   3.2697  -2.6678   3.2007  261.790  127.091  290.961  136.878 -29.17111 186.7827 
1 1 1   31    3   24 o  458.315  153.938   3.7497   2.6083   3.6788   3.7415   3.8167   3.6380  470.571  180.729  473.648  179.091 -3.077484 254.4344 
1 1 1   31    3   26 o  524.754  166.703   5.3500   3.0789   6.7840   3.8127   2.6619   5.2201  576.868  185.747  461.941  198.995 114.9266 272.2142 
1 1 1   31    3   28 o  861.856  121.475   13.286   3.1873   11.935   4.4584   14.698   4.5583  749.774  189.742  851.668  176.718 -101.8934 259.2901 
1 1 1   31    3   30 o  351.887  147.521   1.4911   2.7376  -3.7982   4.0707   5.8585   3.6989  298.806  144.257  516.574  182.877 -217.7677 232.9251 
1 1 1   31    3   32 o  689.242  171.577   10.405   3.6885   19.506   6.5924   6.2575   4.4502  828.922  240.128  502.893  196.010 326.0284 309.9698 
1 1 1   31    4    1 o  1145.07  103.612   21.066   3.6748   19.483   6.1453   21.947   4.5848  1069.50  190.488  1161.30  128.222 -91.79834 229.6222 
1 1 1   31    4    3 o  547.913  140.342   5.0436   2.4184   5.9599   3.5063   4.2122   3.3401  594.926  175.926  517.462  174.198 77.46393 247.5783 
1 1 1   31    4    5 o  1380.82   85.757   30.358   3.6895   33.536   5.2259   27.199   5.2097  1441.60  116.774  1292.43  130.521 149.1674 175.1337 
1 1 1   31    4    7 o  1394.79   85.548   30.982   3.7182   32.359   5.5193   29.838   5.0311  1411.86  126.177  1357.82  119.553 54.03528 173.8202 
1 1 1   31    4    9 o  406.608  143.459   2.4036   2.2744   6.9374   3.3839  -1.3317   3.0715  637.221  167.420  321.539  144.832 315.6814 221.3722 
1 1 1   31    4   11 o  414.974  145.171   2.5474   2.3257   2.5290   3.4522   2.5627   3.1472  453.805  173.764  444.091  166.865 9.714081 240.9109 
1 1 1   31    4   13 o  667.045  127.493   7.4294   2.5658   5.7233   3.7353   8.9535   3.5306  582.823  183.447  723.557  160.074 -140.7343 243.4677 
1 1 1   31    4   15 o  1244.56   89.025   24.846   3.4464   24.271   4.9087   25.405   4.8399  1213.21  131.311  1243.94  125.996 -30.72729 181.9825 
1 1 1   31    4   17 o  749.058  120.313   9.3659   2.7264   8.5861   3.8204   10.175   3.8920  695.990  175.376  761.744  167.713 -65.75391 242.6607 
1 1 1   31    4   19 o  460.377  153.830   3.5259   2.6045   3.0052   3.7494   4.0115   3.6206  466.771  180.474  499.311  180.454 -32.54059 255.2145 
1 1 1   31    4   21 o  709.496  135.866   8.7878   2.9085   5.8362   4.3281   11.218   3.9275  566.015  198.036  786.476  164.757 -220.4614 257.6108 
1 1 1   31    4   23 o  328.399  140.429   0.4655   2.5647   4.6491   3.7320  -3.2785   3.5305  509.019  183.319  296.732  140.828 212.2866 231.1673 
1 1 1   31    4   25 o  569.948  151.521   6.0884   2.7507   1.8455   3.8830   10.362   3.8972  414.894  174.904  731.155  172.935 -316.2607 245.9633 
1 1 1   31    4   27 o  321.133  147.743  -1.1567   3.4173  -1.1567   3.4173   0.0000   0.0000  321.133  147.743  ?   ?  0.000000 147.7435 
1 1 1   31    4   29 o  342.130  145.203   1.1153   2.7052   7.2553   3.7815  -5.3208   3.8715  578.029  184.866  274.643  134.412 303.3859 228.5652 
1 1 1   31    4   31 o  479.391  172.708   4.9440   3.3128   4.5134   4.3358   5.5481   5.1347  463.106  189.049  490.827  203.592 -27.72021 277.8295 
1 1 1   31    4   33 o  372.030  155.875   2.2924   3.0535  -4.0998   4.4088   8.1854   4.2331  297.135  144.992  560.825  195.871 -263.6902 243.6971 
1 1 1   31    5    0 o  854.301  108.385   11.824   2.8341   2.9123   4.0937   20.027   3.9276  491.480  188.976  1113.50  114.266 -622.0164 220.8365 
1 1 1   31    5    2 o  280.095  130.361  -2.3912   2.7770   0.0000   0.0000  -2.3912   2.7770  ?   ?   280.095  130.361 0.000000 130.3612 
1 1 1   31    5    4 o  612.880  136.941   6.2970   2.5618   2.2416   3.7409   9.8785   3.5155  456.596  179.218  766.993  151.753 -310.3963 234.8356 
1 1 1   31    5    6 o  659.452  122.126   7.1955   2.4289   11.380   3.7334   4.1246   3.1984  824.720  150.099  510.591  170.469 314.1291 227.1333 
1 1 1   31    5    8 o  754.683  113.014   9.3114   2.5885   10.093   3.9535   8.7251   3.4245  769.493  168.730  717.732  156.765 51.76093 230.3156 
1 1 1   31    5   10 o  685.259  121.962   7.7671   2.5210   7.1251   3.9028   8.2268   3.3025  644.842  184.152  696.411  155.391 -51.56885 240.9532 
1 1 1   31    5   12 o  1045.10   98.744   17.587   3.1931   12.377   4.5211   22.773   4.5102  849.019  175.849  1181.78  123.717 -332.7578 215.0093 
1 1 1   31    5   14 f  657.504  137.843   7.3039   2.7472   8.6727   4.1127   6.2010   3.6916  704.121  184.363  601.256  181.141 102.8650 258.4610 
1 1 1   31    5   16 o  1166.94   95.529   21.993   3.4600   18.708   4.9956   25.021   4.7969  1048.81  156.940  1231.75  126.150 -182.9430 201.3552 
1 1 1   31    5   18 o  767.523  122.099   9.8979   2.8361   7.6932   3.8716   12.451   4.1663  653.013  182.351  842.227  163.880 -189.2142 245.1708 
1 1 1   31    5   20 o  1052.09   99.527   18.209   3.2398   17.832   4.4918   18.618   4.6775  1014.39  145.589  1034.80  148.623 -20.40088 208.0509 
1 1 1   31    5   22 o  580.532  149.706   6.1057   2.7390   7.9501   3.9217   4.3493   3.8270  644.925  184.738  503.316  184.970 141.6098 261.4232 
1 1 1   31    5   24 o  365.621  154.306   1.0478   3.0277   3.7853   3.9586  -2.8109   4.6999  478.114  185.277  354.971  166.629 123.1431 249.1847 
1 1 1   31    5   26 o  348.121  152.906   0.3194   3.2105   1.6925   3.8335  -2.9056   5.8751  405.929  172.585  387.750  183.327 18.17990 251.7825 
1 1 1   31    5   28 o  262.372  123.564  -1.9862   2.6216  -9.8955   3.8230   5.0346   3.6018  231.559  116.494  499.818  180.084 -268.2588 214.4785 
1 1 1   31    5   30 o  609.020  160.579   7.5787   3.1059   7.1376   4.2914   8.0641   4.5010  555.600  196.947  583.804  202.081 -28.20465 282.1793 
1 1 1   31    5   32 o  723.438  210.507   13.283   5.0563   0.0000   0.0000   13.283   5.0563  ?   ?   723.438  210.507 0.000000 210.5068 
1 1 1   31    6    1 o  509.440  159.926   4.2204   2.8410   2.4303   6.0639   4.7238   3.2158  544.038  222.998  538.216  170.304 5.821533 280.5913 
1 1 1   31    6    3 o  412.548  147.104   2.4159   2.3975   9.9150   4.2973  -0.9731   2.8889  760.540  182.728  319.928  142.551 440.6118 231.7551 
1 1 1   31    6    5 o  1394.79   86.753   30.964   3.7701   28.941   5.5467   32.702   5.1400  1332.91  134.749  1424.47  116.251 -91.56201 177.9648 
1 1 1   31    6    7 o  991.665   95.455   15.779   2.9274   14.420   4.3402   16.913   3.9651  929.584  154.536  1017.82  127.190 -88.23547 200.1463 
1 1 1   31    6    9 o  628.969  146.247   6.6755   2.8257   5.0195   3.6970   9.0021   4.3822  556.748  183.156  721.712  190.954 -164.9643 264.5933 
1 1 1   31    6   11 o  624.289  129.594   6.5166   2.4504  -1.8783   3.7183   12.961   3.2579  346.522  157.395  890.190  119.932 -543.6676 197.8809 
1 1 1   31    6   13 o  540.676  144.903   4.9511   2.5030   0.9570   4.0076   7.5055   3.2050  426.469  178.624  662.450  156.922 -235.9815 237.7623 
1 1 1   31    6   15 o  707.250  126.985   8.3715   2.7088   7.0288   4.1559   9.3632   3.5718  634.326  192.441  737.276  159.365 -102.9499 249.8613 
1 1 1   31    6   17 o  364.800  144.615   1.3890   2.4584   0.1404   3.9331   2.1896   3.1495  395.917  171.635  423.453  164.937 -27.53561 238.0393 
1 1 1   31    6   19 o  444.406  164.051   2.9725   3.0155   9.7160   5.7069   0.3605   3.5518  709.045  227.140  380.045  163.928 329.0005 280.1164 
1 1 1   31    6   21 o  893.714  127.533   13.683   3.4677   17.906   5.7983   11.331   4.3267  971.704  197.304  779.299  180.809 192.4051 267.6204 
1 1 1   31    6   23 o  473.981  163.232   3.9626   2.9349   5.0292   4.6012   3.2310   3.8108  531.114  201.266  461.424  180.958 69.69009 270.6545 
1 1 1   31    6   25 o  373.708  156.494   1.3268   3.0752   1.7944   5.5226   1.1166   3.7023  457.596  200.777  390.460  167.890 67.13614 261.7226 
1 1 1   31    6   27 o  348.277  152.764   0.4360   3.1949  -5.4263   5.9508   2.8101   3.7870  357.787  173.152  432.528  176.636 -74.74121 247.3497 
1 1 1   31    6   29 o  407.563  175.433   1.9912   4.0508   0.0000   0.0000   1.9912   4.0508  ?   ?   407.563  175.433 0.000000 175.4333 
1 1 1   31    6   31 o  313.402  148.935  -2.3163   3.9738   0.0000   0.0000  -2.3163   3.9738  ?   ?   313.402  148.935 0.000000 148.9348 
1 1 1   31    7    0 o  771.651  155.598   9.9925   3.6298   0.0000   0.0000   9.9925   3.6298  ?   ?   771.651  155.598 0.000000 155.5977 
1 1 1   31    7    2 o  1097.40  103.280   19.337   3.5072   21.583   6.1894   18.275   4.2565  1133.07  180.509  1058.48  131.241 74.59094 223.1760 
1 1 1   31    7    4 o  968.177  114.412   15.183   3.4015   9.9184   5.5746   18.305   4.2933  756.410  221.302  1058.74  132.400 -302.3270 257.8843 
1 1 1   31    7    6 o  716.228  140.100   8.5559   3.0294   10.820   4.9827   7.2280   3.8157  790.350  200.904  651.495  180.713 138.8546 270.2218 
1 1 1   31    7    8 o  609.255  155.638   6.2794   2.9799   3.3314   4.6502   8.3334   3.8816  521.849  201.205  697.782  177.296 -175.9330 268.1744 
1 1 1   31    7   10 o  457.965  174.721   2.5866   3.4823  -1.5587   4.6337   7.9662   5.2787  399.799  179.162  683.906  218.385 -284.1067 282.4732 
1 1 1   31    7   12 o  922.969  122.982   13.967   3.4658   14.774   5.5104   13.438   4.4579  920.620  197.104  889.369  166.189 31.25134 257.8152 
1 1 1   31    7   14 o  507.748  156.201   4.3087   2.7257   5.3060   4.9339   3.8706   3.2700  582.778  210.650  497.142  172.236 85.63574 272.1008 
1 1 1   31    7   16 o  928.780  129.921   14.404   3.6750   7.1594   6.5687   17.704   4.4338  653.381  241.940  1025.55  141.870 -372.1708 280.4680 
1 1 1   31    7   18 o  681.155  162.924   8.2392   3.4282   7.6218   6.7146   8.4569   3.9870  654.294  244.149  682.181  182.904 -27.88702 305.0613 
1 1 1   31    7   20 o  1145.63  117.125   21.974   4.1425   22.466   7.4874   21.757   4.9729  1066.80  230.850  1121.24  145.043 -54.44446 272.6339 
1 1 1   31    7   22 o  414.156  156.376   2.5581   2.7712   1.3324   5.5894   2.9575   3.1910  464.652  202.977  440.708  167.464 23.94370 263.1422 
1 1 1   31    7   24 f  239.549  114.803  -2.9588   2.4679  -4.0916   4.0827  -2.3066   3.0980  310.230  148.408  289.203  135.606 21.02713 201.0317 
1 1 1   31    7   26 f  225.314  110.285  -4.3374   2.6091   0.0000   0.0000  -4.3374   2.6091  ?   ?   225.314  110.285 0.000000 110.2853 
1 1 1   31    7   28 o  712.273  181.665   10.460   4.0644   0.0000   0.0000   10.460   4.0644  ?   ?   712.273  181.665 0.000000 181.6650 
1 1 1   31    7   30 o  216.055  108.299  -7.5660   3.1493  -7.0314   6.5674  -7.7257   3.5888  349.379  171.815  236.267  118.008 113.1118 208.4375 
1 1 1   31    7   32 o  473.514  213.281   4.8559   6.6605   4.8559   6.6605   0.0000   0.0000  473.514  213.281  ?   ?  0.000000 213.2814 
1 1 1   31    8    1 o  677.876  142.539   7.6773   2.9295   9.0370   5.0191   6.9748   3.6079  725.849  209.307  641.797  174.801 84.05151 272.6993 
1 1 1   31    8    3 o  250.682  117.464  -2.2731   2.3178  -3.7808   4.0205  -1.5226   2.8365  330.038  154.666  303.543  137.719 26.49506 207.0944 
1 1 1   31    8    5 o  611.757  144.375   6.2838   2.7210   9.4531   4.8067   4.7892   3.3009  740.837  201.757  542.804  172.627 198.0337 265.5293 
1 1 1   31    8    7 f  640.901  149.874   6.9196   2.9540  -0.0001   4.8279   11.060   3.7346  442.659  191.029  813.304  152.243 -370.6450 244.2741 
1 1 1   31    8    9 o  354.538  146.123   0.7363   2.6215   5.3381   4.1409  -2.3417   3.3865  577.065  193.960  319.115  146.912 257.9495 243.3180 
1 1 1   31    8   11 o  386.989  162.269   0.6430   3.3134   1.9349   4.1970  -1.4943   5.3982  463.184  187.128  434.365  194.104 28.81876 269.6171 
1 1 1   31    8   13 o  786.503  145.183   10.421   3.4438   10.972   5.3377   10.027   4.5073  784.284  212.203  755.980  190.489 28.30426 285.1602 
1 1 1   31    8   15 o  448.318  166.250   2.8263   3.1039  -1.5532   4.3349   7.4340   4.4463  380.197  171.580  648.532  199.499 -268.3352 263.1346 
1 1 1   31    8   17 o  606.463  168.505   6.5151   3.3147   9.1239   4.7337   4.0055   4.6429  704.114  203.337  524.968  201.396 179.1462 286.1924 
1 1 1   31    8   19 o  913.304  116.256   13.957   3.2493   5.0085   4.2968   25.909   4.9659  543.748  196.574  1239.21  129.910 -695.4591 235.6220 
1 1 1   31    8   21 o  336.026  146.022   0.1030   2.8605  -8.4157   4.1123   8.0893   3.9817  265.976  131.747  654.406  185.701 -388.4298 227.6883 
1 1 1   31    8   23 o  572.302  160.407   6.0717   2.9900   9.1349   4.3951   3.4327   4.0795  680.189  195.786  474.221  186.829 205.9676 270.6236 
1 1 1   31    8   25 o  850.793  142.081   13.038   3.6516   15.783   6.8720   11.958   4.3105  827.446  246.664  783.968  179.469 43.47852 305.0449 
1 1 1   31    8   27 f  575.718  191.402   6.8746   4.0335   0.0000   0.0000   6.8746   4.0335  ?   ?   575.718  191.402 0.000000 191.4020 
1 1 1   31    8   29 o  550.125  179.554   6.3496   3.5556   12.103   7.5443   4.7068   4.0314  654.141  255.140  486.442  187.400 167.6989 316.5680 
1 1 1   31    8   31 o  936.228  219.211   21.036   6.3130   25.113   8.1400   14.883  10.0000  930.815  265.996  624.736  272.243 306.0781 380.6182 
1 1 1   31    9    0 o  610.132  146.807   6.2422   2.7707   4.4054   4.6651   7.2432   3.4439  558.836  204.396  654.654  167.359 -95.81799 264.1717 
1 1 1   31    9    2 o  1195.92  102.069   22.893   3.7856   22.353   6.2825   23.200   4.7434  1156.17  179.346  1196.44  128.636 -40.26477 220.7084 
1 1 1   31    9    4 o  635.893  141.035   6.7604   2.7346   4.2280   4.5348   8.2076   3.4281  549.192  201.423  697.615  160.300 -148.4225 257.4245 
1 1 1   31    9    6 o  512.807  143.725   4.3728   2.4005   6.8041   3.5659   2.3579   3.2462  634.044  174.236  442.812  168.753 191.2325 242.5610 
1 1 1   31    9    8 o  202.257   98.883  -3.8936   2.0793  -4.1774   3.1476  -3.6739   2.7696  272.028  130.178  255.659  122.284 16.36880 178.6049 
1 1 1   31    9   10 o  715.530  127.473   8.4811   2.7513   9.5838   3.9831   7.4748   3.8049  748.109  173.418  660.314  179.371 87.79498 249.4949 
1 1 1   31    9   12 f  559.606  157.014   5.3154   2.8633   11.394   3.8215  -2.4651   4.3235  820.798  154.354  365.869  167.532 454.9286 227.7982 
1 1 1   31    9   14 o  868.807  131.739   12.585   3.4715   10.651   4.4062   15.749   5.6368  777.549  183.867  942.613  197.310 -165.0640 269.7005 
1 1 1   31    9   16 o  796.238  130.425   10.680   3.1392   9.0962   4.1745   12.742   4.7622  711.667  185.456  844.509  185.191 -132.8420 262.0866 
1 1 1   31    9   18 o  658.477  152.758   7.6365   3.0887   7.4577   4.1917   7.8488   4.5688  638.016  193.201  651.564  202.525 -13.54858 279.8983 
1 1 1   31    9   20 o  554.306  165.177   5.5341   3.0820   2.0418   3.9309   11.106   4.9654  437.942  179.531  760.422  204.215 -322.4801 271.9102 
1 1 1   31    9   22 o  285.578  132.929  -2.0227   2.8888  -1.0173   3.7953  -3.4074   4.4542  353.181  159.861  341.138  160.782 12.04282 226.7293 
1 1 1   31    9   24 o  341.847  151.831  -0.2325   3.2508   3.8477   4.3224  -5.5452   4.9323  488.390  192.342  329.412  158.974 158.9777 249.5359 
1 1 1   31    9   26 o  304.650  144.297  -2.9747   3.6707  -3.2612   6.9107  -2.8621   4.3324  416.420  197.455  335.915  158.395 80.50565 253.1358 
1 1 1   31    9   28 o  758.606  205.376   12.530   4.9981   17.125   8.1136   9.7192   6.3449  784.158  271.325  630.430  236.921 153.7281 360.2064 
1 1 1   31    9   30 o  720.964  264.548   15.766   7.8240   15.766   7.8240   0.0000   0.0000  720.964  264.548  ?   ?  0.000000 264.5485 
1 1 1   31   10    1 o  361.680  141.024   1.3386   2.3043   0.7085   3.5265   1.8080   3.0441  402.427  167.971  415.327  162.048 -12.89948 233.3961 
1 1 1   31   10    3 o  226.734  107.938  -2.6544   2.1054  -2.8892   3.2929  -2.4921   2.7381  304.040  141.656  276.107  128.819 27.93347 191.4695 
1 1 1   31   10    5 o  627.177  149.571   6.6062   2.8961   13.204   5.0643   3.4000   3.5303  880.105  189.383  491.935  178.129 388.1697 259.9921 
1 1 1   31   10    7 o  316.095  133.043   0.2710   2.2410   0.5414   3.2352   0.0215   3.1070  381.803  160.233  359.849  154.239 21.95441 222.4053 
1 1 1   31   10    9 o  453.730  148.842   3.2468   2.4422   6.6349   3.3972  -0.3764   3.5131  624.685  169.405  370.393  161.384 254.2924 233.9720 
1 1 1   31   10   11 o  386.970  144.096   1.9438   2.3365  -0.7903   3.1868   5.1222   3.4359  340.851  150.909  555.375  176.069 -214.5240 231.8916 
1 1 1   31   10   13 f  590.971  158.946   6.0073   3.0053   4.7987   3.8632   7.8599   4.7829  544.979  187.299  668.851  207.105 -123.8721 279.2368 
1 1 1   31   10   15 o  340.098  142.287   0.5756   2.5389   3.4068   3.5723  -2.3140   3.6089  482.377  178.459  327.690  151.148 154.6870 233.8665 
1 1 1   31   10   17 o  285.863  127.290  -0.6406   2.2994   2.3168   3.2877  -3.4725   3.2172  430.958  168.335  282.904  134.314 148.0535 215.3530 
1 1 1   31   10   19 o  480.307  156.067   3.9509   2.6874   7.2990   3.6679   0.0710   3.9485  632.050  177.843  389.563  170.377 242.4872 246.2849 
1 1 1   31   10   21 o  543.284  156.803   5.3155   2.8157   1.7951   3.9348   9.0101   4.0310  429.009  178.109  692.729  183.075 -263.7193 255.4199 
1 1 1   31   10   23 o  906.963  119.269   14.056   3.3050   9.9982   4.6469   18.209   4.7015  710.562  200.258  1008.11  153.812 -297.5517 252.5105 
1 1 1   31   10   25 o  372.669  164.682   0.1731   3.7774   3.0832   6.5697  -1.2641   4.6170  508.274  221.084  376.431  172.646 131.8426 280.5080 
1 1 1   31   10   27 o  526.331  214.059   5.1851   5.5328   0.0000   0.0000   5.1851   5.5328  ?   ?   526.331  214.059 0.000000 214.0590 
1 1 1   31   10   29 f  633.895  262.282   11.440   8.4915   11.440   8.4915   0.0000   0.0000  633.895  262.282  ?   ?  0.000000 262.2824 
1 1 1   31   11    0 f  376.730  144.518   1.5870   2.3906   0.3459   3.6835   2.4902   3.1424  400.468  169.669  445.268  166.850 -44.79947 237.9632 
1 1 1   31   11    2 o  588.221  141.123   5.7782   2.5660   9.9744   4.0019   2.8487   3.3438  769.117  170.636  465.971  172.604 303.1456 242.7115 
1 1 1   31   11    4 o  410.497  149.127   2.2825   2.4773   4.8097   3.6012   0.0123   3.4131  549.969  180.759  376.989  161.624 172.9799 242.4793 
1 1 1   31   11    6 o  222.022  109.230  -5.4757   2.6637  -0.2013   4.1653  -9.1254   3.4649  408.799  176.924  232.158  115.955 176.6406 211.5366 
1 1 1   31   11    8 o  590.526  143.412   5.8673   2.6254   7.9875   3.6610   3.6227   3.7670  684.389  171.253  505.357  183.847 179.0322 251.2515 
1 1 1   31   11   10 o  411.424  147.998   2.3950   2.4318   3.4466   3.4279   1.3296   3.4503  487.003  175.650  413.993  168.781 73.01013 243.5984 
1 1 1   31   11   12 o  538.981  150.261   4.9368   2.6311   3.4491   3.5010   6.8676   3.9884  486.495  177.199  629.709  187.960 -143.2137 258.3184 
1 1 1   31   11   14 o  454.653  153.799   3.2949   2.6038   3.5121   3.6961   3.0809   3.6687  490.686  181.526  474.651  179.753 16.03537 255.4662 
1 1 1   31   11   16 o  904.159  118.822   13.583   3.2826   6.5703   4.5163   21.437   4.7793  610.081  202.520  1128.66  138.116 -518.5780 245.1333 
1 1 1   31   11   18 o  295.526  131.332  -0.5866   2.4356  -3.7674   3.7193   1.8017   3.2228  305.445  144.841  409.443  164.483 -103.9977 219.1653 
1 1 1   31   11   20 o  481.379  163.571   3.9394   2.9453   7.2898   3.9645  -0.1875   4.3999  626.391  187.493  400.898  177.416 225.4930 258.1285 
1 1 1   31   11   22 o  422.344  164.986   2.4390   3.1584   3.9051   4.7752   1.2989   4.2111  507.962  201.492  423.539  180.498 84.42255 270.5154 
1 1 1   31   11   24 o  851.545  134.438   12.730   3.4657   9.7452   4.5805   16.726   5.3003  698.901  199.471  934.235  187.703 -235.3344 273.8998 
1 1 1   31   11   26 o  448.218  184.594   2.7318   4.1796   0.0000   0.0000   2.7318   4.1796  ?   ?   448.218  184.594 0.000000 184.5937 
1 1 1   31   11   28 o  258.103  124.690  -3.7959   3.0535   2.3182   7.8888  -4.8734   3.3117  498.132  227.414  257.216  125.546 240.9164 259.7671 
1 1 1   31   12    1 f  808.881  120.420   10.651   2.9570   11.978   4.2101   9.3587   4.1541  846.600  164.744  743.350  180.318 103.2501 244.2444 
1 1 1   31   12    3 o  388.613  149.632   1.6747   2.5691  -3.2375   3.7400   6.0637   3.5353  324.295  151.050  602.941  176.186 -278.6456 232.0724 
1 1 1   31   12    5 o  328.882  143.693  -0.4599   2.8023  -5.8525   3.8133   5.8716   4.1320  288.172  139.247  600.050  193.384 -311.8786 238.3009 
1 1 1   31   12    7 o  403.040  152.784   1.9696   2.6520   1.0234   4.0973   2.6517   3.4792  435.694  181.389  461.303  174.965 -25.60825 252.0209 
1 1 1   31   12    9 o  953.321  111.759   14.757   3.2728   12.866   4.4654   16.951   4.8107  869.441  170.116  1006.11  157.900 -136.6713 232.1027 
1 1 1   31   12   11 o  288.651  131.095  -1.3565   2.5786  -2.3550   3.5205  -0.2008   3.7875  324.653  149.583  386.076  167.898 -61.42313 224.8662 
1 1 1   31   12   13 o  335.306  142.957   0.2138   2.6436  -2.1954   3.3549   4.1596   4.2936  316.931  146.025  529.087  195.666 -212.1556 244.1485 
1 1 1   31   12   15 o  664.596  156.293   7.6960   3.1979   3.4276   4.1304   14.084   5.0528  497.062  190.130  888.621  187.487 -391.5595 267.0218 
1 1 1   31   12   17 o  223.311  107.505  -3.1439   2.2215  -3.9206   2.9497  -2.1258   3.3768  259.388  124.627  316.499  146.064 -57.11108 192.0066 
1 1 1   31   12   19 o  320.102  140.183  -0.2157   2.6809  -2.9529   3.5455   3.4387   4.0967  308.745  144.865  488.436  188.703 -179.6903 237.8960 
1 1 1   31   12   21 o  511.198  165.839   4.6182   3.0349   2.9759   4.0985   6.6120   4.5159  469.408  186.520  596.376  202.543 -126.9680 275.3423 
1 1 1   31   12   23 o  524.363  167.514   5.0007   3.1056   1.8181   4.2640   8.5963   4.5322  436.898  183.684  662.205  200.979 -225.3065 272.2728 
1 1 1   31   12   25 o  544.347  170.771   5.5816   3.2400  -1.5777   4.4467   13.684   4.7304  366.182  168.493  842.359  184.454 -476.1774 249.8264 
1 1 1   31   12   27 o  438.460  171.329   3.0589   3.4066   6.0113   7.5654   2.3080   3.8153  564.931  241.370  424.757  175.784 140.1742 298.5963 
1 1 1   31   13    0 o  965.515  127.153   15.135   3.7507   8.5882   4.8570   24.806   5.9033  712.507  206.026  1230.66  156.753 -518.1475 258.8789 
1 1 1   31   13    2 o  1379.84  108.006   30.456   4.6293   28.978   5.9049   32.812   7.4570  1334.92  143.520  1410.36  172.449 -75.43445 224.3584 
1 1 1   31   13    4 o  213.086  104.474  -4.6363   2.3709  -5.8022   3.2119  -3.2403   3.5144  253.240  123.613  310.711  145.289 -57.47112 190.7593 
1 1 1   31   13    6 o  1291.57  111.074   26.838   4.4484   22.147   5.7033   34.126   7.1081  1154.52  162.241  1437.99  160.606 -283.4733 228.2903 
1 1 1   31   13    8 o  612.271  173.790   6.3846   3.4869   5.0055   4.7468   8.0008   5.1388  575.128  206.786  683.165  215.189 -108.0378 298.4405 
1 1 1   31   13   10 o  728.690  146.071   8.9751   3.2169   3.5046   4.1260   17.455   5.1371  507.180  190.964  1014.08  167.638 -506.9021 254.1061 
1 1 1   31   13   12 o  1123.72  116.409   20.639   4.0366   16.888   5.2542   26.042   6.3059  988.982  176.123  1238.21  166.894 -249.2316 242.6375 
1 1 1   31   13   14 o  389.427  151.459   1.7634   2.6528   4.5289   3.4895  -2.0232   4.0832  524.633  178.045  358.220  163.567 166.4130 241.7729 
1 1 1   31   13   16 o  247.907  118.209  -3.0768   2.5467   0.8127   3.2799  -8.9818   4.0413  383.704  161.198  261.005  129.514 122.6987 206.7821 
1 1 1   31   13   18 o  453.663  159.400   3.2805   2.8055   2.6471   3.5514   4.3321   4.5755  449.812  175.162  530.254  200.761 -80.44196 266.4328 
1 1 1   31   13   20 o  314.968  138.553  -0.3040   2.6449  -2.8286   3.5331   2.9143   3.9891  309.638  145.069  467.719  184.594 -158.0811 234.7763 
1 1 1   31   13   22 o  547.872  160.955   5.4262   2.9434   4.8476   4.0511   6.0733   4.2839  528.571  190.905  574.458  197.244 -45.88672 274.4997 
1 1 1   31   13   24 o  620.945  161.740   7.1322   3.1761   5.5982   4.4944   8.6624   4.4888  551.708  200.799  662.779  199.761 -111.0710 283.2397 
1 1 1   31   13   26 o  333.939  145.312   0.2552   2.8404   1.5313   4.0903  -0.9332   3.9474  416.585  177.720  356.141  161.921 60.44446 240.4220 
1 1 1   31   14    1 o  1015.64  127.079   16.745   3.9529   10.216   5.1538   26.074   6.1605  771.720  208.395  1259.70  159.774 -487.9807 262.5949 
1 1 1   31   14    3 o  436.669  163.580   2.4169   3.0200   7.1727   4.1203  -3.1038   4.4393  651.677  190.144  363.848  167.761 287.8286 253.5710 
1 1 1   31   14    5 o  651.073  163.159   7.1929   3.3196   3.4019   4.4329   12.033   5.0090  517.886  197.239  835.128  195.074 -317.2414 277.4113 
1 1 1   31   14    7 o  306.544  136.462  -0.8579   2.6408   0.9072   3.4222  -3.4562   4.1520  400.421  166.160  341.021  158.945 59.40030 229.9407 
1 1 1   31   14    9 o  860.380  137.172   12.313   3.5714   8.0694   5.4143   15.582   4.7518  683.847  221.469  959.243  164.100 -275.3964 275.6397 
1 1 1   31   14   11 o  511.668  165.876   4.3098   3.0367   6.7512   3.8358   0.2106   4.9703  624.066  183.855  446.765  193.311 177.3015 266.7801 
1 1 1   31   14   13 o  289.350  131.348  -1.2981   2.5845   1.5472   3.4347  -5.0118   3.9240  415.900  168.842  301.807  144.671 114.0930 222.3452 
1 1 1   31   14   15 o  782.986  148.497   10.511   3.5075   7.1322   4.7426   14.591   5.2112  634.775  207.379  904.084  190.113 -269.3088 281.3343 
1 1 1   31   14   17 f  510.871  161.125   4.4697   2.8803   2.6817   4.1160   6.1854   4.0320  470.586  186.941  591.665  191.067 -121.0785 267.3080 
1 1 1   31   14   19 o  516.694  164.820   4.6322   3.0073   0.9967   3.8635   10.222   4.7905  410.773  173.885  739.020  201.482 -328.2476 266.1411 
1 1 1   31   14   21 o  680.112  156.797   8.2680   3.2708   2.3896   4.2101   17.217   5.1947  457.633  186.492  975.641  176.540 -518.0081 256.7985 
1 1 1   31   14   23 o  764.458  142.543   10.292   3.2865   10.046   4.5010   10.574   4.8102  723.006  194.543  736.845  202.312 -13.83862 280.6727 
1 1 1   31   14   25 o  529.672  164.693   5.1813   3.0210   3.2473   4.0110   7.7165   4.5924  466.827  184.827  622.960  204.096 -156.1329 275.3478 
1 1 1   31   15    0 o  446.358  177.749   1.8632   3.7295   4.9837   4.2503  -8.5823   7.7761  569.475  196.415  438.146  208.252 131.3284 286.2655 
1 1 1   31   15    2 o  327.678  144.316  -0.6655   2.8771  -0.6316   4.2990  -0.6930   3.8720  405.306  177.506  382.680  168.006 22.62646 244.4065 
1 1 1   31   15    4 o  490.113  165.477   3.7304   3.0141   2.2134   4.3820   5.0927   4.1524  480.282  192.200  568.754  194.215 -88.47198 273.2407 
1 1 1   31   15    6 o  1394.20   98.061   31.121   4.2537   30.757   5.8696   31.523   6.1730  1371.08  138.624  1385.74  144.386 -14.65686 200.1597 
1 1 1   31   15    8 o  377.552  151.838   1.2332   2.7496   0.2617   3.8143   2.2841   3.9672  400.186  171.195  464.017  183.784 -63.83136 251.1654 
1 1 1   31   15   10 o  377.494  152.356   1.2180   2.7791  -2.1562   3.8613   4.8442   4.0030  347.116  158.716  550.823  190.581 -203.7072 248.0156 
1 1 1   31   15   12 o  382.198  153.241   1.3633   2.7914   1.7632   3.7332   0.8563   4.2039  435.790  176.336  429.732  181.618 6.058746 253.1394 
1 1 1   31   15   14 o  458.896  160.539   3.2664   2.8442   4.9246   3.8373   1.2448   4.2370  546.269  186.700  439.013  183.754 107.2560 261.9590 
1 1 1   31   15   16 o  699.931  153.419   8.5047   3.2697   7.9755   4.3843   9.1678   4.9078  665.075  196.739  707.832  207.803 -42.75671 286.1617 
1 1 1   31   15   18 o  434.635  160.289   2.7627   2.8774  -1.1388   3.6408   9.2541   4.6963  351.009  157.934  707.824  201.961 -356.8147 256.3817 
1 1 1   31   15   20 o  322.196  139.082   0.0792   2.5607   4.1383   3.3163  -5.9140   4.0297  498.220  173.404  291.512  141.422 206.7081 223.7613 
1 1 1   31   15   22 o  585.040  161.958   6.1842   3.0680   6.8531   4.1453   5.3740   4.5621  607.011  193.495  555.501  202.286 51.50977 279.9284 
1 1 1   31   15   24 o  318.107  140.218  -0.2398   2.7216  -0.4337   3.6596   0.0001   4.0711  359.863  160.387  387.100  171.016 -27.23715 234.4582 
1 1 1   31   16    1 o  565.075  193.908   4.9669   4.1399   3.4304   4.7060   10.225   8.7061  528.275  202.738  789.099  280.434 -260.8243 346.0433 
1 1 1   31   16    3 o  494.075  188.839   3.0170   4.0724   4.2704   4.6027  -1.5018   8.7392  550.305  202.760  557.372  248.174 -7.066772 320.4713 
1 1 1   31   16    5 o  670.820  142.325   7.5594   2.8969   4.8419   3.9288   10.797   4.2885  553.704  188.915  793.947  177.018 -240.2434 258.8902 
1 1 1   31   16    7 o  556.242  152.597   5.2321   2.7379   2.5084   3.5438   9.2653   4.3123  456.439  175.742  730.623  187.544 -274.1838 257.0174 
1 1 1   31   16    9 o  210.021  103.204  -4.7140   2.3553  -3.7278   2.4374 -18.6189   9.1525  230.878  111.504  397.552  196.854 -166.6743 226.2402 
1 1 1   31   16   11 o  444.072  159.413   2.8837   2.8200  -2.9022   3.8675   9.4519   4.1207  333.249  154.678  735.591  180.302 -402.3417 237.5583 
1 1 1   31   16   13 o  528.217  173.193   4.6284   3.3067   5.3983   4.3203   3.5394   5.1382  573.163  198.007  532.336  209.690 40.82721 288.4035 
1 1 1   31   16   15 f  658.898  150.780   7.4953   3.0435   7.8244   4.2075   7.1340   4.4079  662.750  191.792  635.472  199.159 27.27808 276.4936 
1 1 1   31   16   17 o  261.853  124.276  -3.0622   2.7496  -2.8017   3.5929  -3.4305   4.2716  316.944  147.768  341.573  159.865 -24.62866 217.6975 
1 1 1   31   16   19 o  449.025  163.262   3.0587   2.9700   3.2421   4.1158   2.8595   4.2901  486.556  188.818  479.753  190.767 6.802826 268.4106 
1 1 1   31   16   21 o  448.032  163.303   3.0978   2.9742   2.0621   4.0931   4.2564   4.3291  446.888  183.198  519.624  195.617 -72.73669 268.0062 
1 1 1   31   17    0 o  851.796  136.717   11.958   3.5231   9.9329   5.3242   13.535   4.6991  757.991  214.611  895.255  173.898 -137.2634 276.2213 
1 1 1   31   17    2 o  624.385  200.117   6.4610   4.4293   6.4610   4.4293   0.0000   0.0000  624.385  200.117  ?   ?  0.000000 200.1169 
1 1 1   31   17    4 o  591.272  185.549   5.8145   3.8247   5.9535   4.1660   5.0686   9.6476  600.721  194.240  688.169  281.585 -87.44800 342.0806 
1 1 1   31   17    6 o  530.409  177.588   4.4871   3.4712   4.7314   3.7081   2.7565   9.8696  544.701  183.542  649.815  276.613 -105.1138 331.9677 
1 1 1   31   17    8 o  746.087  137.935   9.3078   3.1037   6.0601   4.0778   13.780   4.7853  601.069  191.945  896.835  176.688 -295.7659 260.8857 
1 1 1   31   17   10 o  374.240  145.614   1.5384   2.4528   4.1904   3.2629  -1.9074   3.7193  511.666  172.173  344.812  156.926 166.8539 232.9577 
1 1 1   31   17   12 o  482.122  153.083   3.8239   2.5966   1.6533   3.4109   6.8155   4.0043  420.040  169.047  627.034  188.601 -206.9938 253.2733 
1 1 1   31   17   14 o  558.545  158.032   5.3586   2.8880   4.2600   4.2438   6.3061   3.9414  531.515  194.866  603.766  188.178 -72.25165 270.8943 
1 1 1   31   17   16 o  204.540  100.467  -4.3733   2.2244  -9.4067   3.2387   0.1211   3.0604  214.781  107.947  354.494  152.539 -139.7129 186.8705 
1 1 1   31   17   18 o  311.690  136.252  -0.2660   2.5224  -4.5683   3.6135   3.8230   3.5228  289.381  138.745  494.611  178.108 -205.2304 225.7714 
1 1 1   31   17   20 o  320.351  137.492   0.1527   2.4748  -0.0422   3.6242   0.3230   3.3876  374.766  163.585  373.000  160.494 1.766083 229.1693 
1 1 1   31   18    1 f  1030.27  134.169   17.361   4.2256   11.893   5.7174   23.942   6.2731  825.448  217.977  1197.86  172.197 -372.4109 277.7874 
1 1 1   31   18    3 o  775.408  141.420   10.006   3.3071   7.7202   4.7673   12.126   4.5916  673.867  206.456  843.068  179.443 -169.2009 273.5396 
1 1 1   31   18    5 o  770.770  198.537   10.320   4.8209   10.320   4.8209   0.0000   0.0000  770.770  198.537  ?   ?  0.000000 198.5366 
1 1 1   31   18    7 o  429.564  178.220   1.1168   3.9359   1.1168   3.9359   0.0000   0.0000  429.564  178.220  ?   ?  0.000000 178.2197 
1 1 1   31   18    9 o  747.188  183.192   9.6855   4.2531   9.6855   4.2531   0.0000   0.0000  747.188  183.192  ?   ?  0.000000 183.1924 
1 1 1   31   18   11 o  253.332  118.973  -2.3732   2.4007  -2.5678   3.4095  -2.1819   3.3809  314.363  145.671  320.279  147.204 -5.915619 207.0965 
1 1 1   31   18   13 o  409.802  149.952   2.3368   2.5112  -5.3345   3.3751   11.850   3.7586  267.167  129.569  837.273  148.817 -570.1061 197.3186 
1 1 1   31   18   15 o  368.711  142.646   1.5688   2.3435   0.4686   3.2188   2.8098   3.4186  373.688  158.481  458.305  173.530 -84.61737 235.0080 
1 1 1   31   18   17 o  564.440  157.441   5.5203   2.8878   6.3347   4.0810   4.7036   4.0869  602.450  191.981  540.879  192.148 61.57043 271.6199 
1 1 1   31   18   19 o  265.372  124.775  -2.5267   2.6539   4.3352   3.9127  -8.3730   3.6116  520.973  187.695  244.031  121.318 276.9417 223.4899 
1 1 1   31   19    0 o  577.049  181.643   5.4688   3.6622   3.1056   5.0099   8.1805   5.3666  528.399  207.401  696.447  219.965 -168.0483 302.3240 
1 1 1   31   19    2 o  588.786  171.706   5.8153   3.3608  -0.3229   4.4645   13.842   5.1054  419.398  182.338  900.398  187.189 -481.0003 261.3175 
1 1 1   31   19    4 o  256.385  123.177  -4.0755   2.8805  -2.7771   3.8369  -5.7526   4.3605  336.715  155.500  318.643  152.680 18.07211 217.9248 
1 1 1   31   19    6 o  406.800  163.967   1.4040   3.2142  -0.7768   4.2084   4.4571   4.9795  395.995  174.465  564.460  210.324 -168.4651 273.2663 
1 1 1   31   19    8 o  452.612  181.844   1.9061   3.9395   3.6038   4.1761 -11.8147   11.872  514.591  192.439  533.599  254.654 -19.00861 319.1892 
1 1 1   31   19   10 o  485.259  186.730   2.9157   3.9990   3.1303   4.2275   1.0901   12.331  499.452  192.041  676.453  298.303 -177.0006 354.7735 
1 1 1   31   19   12 o  538.446  189.454   4.5146   3.9639   8.5485   4.1649 -34.2814   12.916  699.864  186.630  425.883  214.239 273.9809 284.1288 
1 1 1   31   19   14 o  613.608  169.070   6.5085   3.3524  -0.6915   4.1894   19.328   5.5900  393.114  173.588  1061.92  174.154 -668.8035 245.8911 
1 1 1   31   19   16 o  389.564  155.499   1.5011   2.8605   3.4174   3.5861  -1.8506   4.7427  485.123  178.937  393.711  178.410 91.41251 252.6828 
1 1 1   31   20    1 f  787.700  166.441   10.472   3.9766   12.339   5.9445   8.9598   5.3501  841.143  222.330  723.931  218.059 117.2113 311.4167 
1 1 1   31   20    3 o  431.116  176.478   1.3147   3.7915   5.2586   5.6628  -1.8899   5.1045  607.159  224.674  416.990  187.372 190.1684 292.5518 
1 1 1   31   20    5 o  598.785  178.030   6.0203   3.5833   6.9521   4.7533   4.7935   5.4538  645.894  207.336  587.716  219.892 58.17755 302.2265 
1 1 1   31   20    7 o  415.539  168.062   1.4239   3.3893  -2.2509   4.3508   7.0961   5.4054  373.272  169.820  657.024  221.601 -283.7513 279.1878 
1 1 1   31   20    9 o  345.085  151.863  -0.6331   3.1802  -2.2600   4.1607   1.6529   4.9320  362.772  165.439  483.721  199.996 -120.9484 259.5544 
1 1 1   31   20   11 o  581.566  207.079   5.2416   4.7493   5.8781   5.0700   0.6820   13.570  608.287  214.236  697.162  309.898 -88.87518 376.7411 
1 1 1   31   20   13 o  453.263  187.597   1.4498   4.3459   1.4498   4.3459   0.0000   0.0000  453.263  187.597  ?   ?  0.000000 187.5969 
1 1 1   31   21    0 o  647.447  260.191   4.4204   8.0677   1.3335   9.8078   10.880   14.188  636.535  273.467  876.385  347.411 -239.8500 442.1297 
1 1 1   31   21    2 o  506.502  231.404  -4.0528   8.1868  -6.6798   9.9821   1.3452   14.309  534.280  248.161  740.506  324.087 -206.2262 408.1867 
1 1 1   31   21    4 o  669.711  255.940   6.1141   7.4803   6.1141   7.4803   0.0000   0.0000  669.711  255.940  ?   ?  0.000000 255.9400 
1 1 1   31   21    6 o  815.212  247.639   11.672   6.8787   13.088   7.8266   6.8670   14.420  858.372  264.789  808.978  338.830 49.39398 430.0222 
1 1 1   31   21    8 o  649.203  223.100   6.8136   5.4812   5.4065   5.9205   15.252   14.499  614.881  229.294  936.710  356.719 -321.8295 424.0571 
1 1 1   31   21   10 o  540.117  209.185   3.6086   5.0439   3.7942   5.3988   2.3348   14.144  555.342  216.048  734.223  321.753 -178.8807 387.5583 
1 1 1   31   22    1 o  1092.96  376.280   22.306   15.595   0.0000   0.0000   22.306   15.595  ?   ?   1092.96  376.280 0.000000 376.2796 
1 1 1   31   22    3 o  589.955  282.227 -15.6921   14.767   0.0000   0.0000 -15.6921   14.767  ?   ?   589.955  282.227 0.000000 282.2269 
1 1 1   31   22    5 o  1021.25  374.612   18.880   15.687   0.0000   0.0000   18.880   15.687  ?   ?   1021.25  374.612 0.000000 374.6116 
1 1 1   31   22    7 o  666.099  227.761   7.1769   5.7108   11.321   6.1699 -17.6059   15.088  804.489  232.089  580.377  279.587 224.1116 363.3651 
1 1 1   31   23    0 o  658.872  192.077   7.2860   4.2062   8.2861   4.3587  -6.2547   16.038  699.385  192.815  703.677  322.381 -4.291992 375.6429 
1 1 1   31   23    2 o  760.827  217.140   9.9110   5.4280   10.917   5.7701   2.1770   16.000  796.145  222.722  789.865  344.275 6.280090 410.0374 
1 1 1   32    0    0 o  263.541  165.460   0.6453   2.8469   0.6453   2.8469   0.6453   2.8469  263.541  165.460  263.541  165.460 -0.000000 0.000000 
1 1 1   32    0    2 o  730.015  192.845   10.112   3.8084   10.112   3.8084   10.112   3.8084  730.015  192.845  730.015  192.845 -0.000000 0.000000 
1 1 1   32    0    4 o  967.826  239.429   17.667   6.2808   17.667   6.2808   17.667   6.2808  967.826  239.429  967.826  239.429 -0.000000 0.000000 
1 1 1   32    0    6 o  388.232  204.498   3.5640   3.3053   3.5640   3.3053   3.5640   3.3053  388.232  204.498  388.232  204.498 -0.000000 0.000000 
1 1 1   32    0    8 o  690.861  199.796   9.3240   3.7499   9.3240   3.7499   9.3240   3.7499  690.861  199.796  690.861  199.796 -0.000000 0.000000 
1 1 1   32    0   10 o  1426.08  124.357   32.997   5.4559   32.997   5.4559   32.997   5.4559  1426.08  124.357  1426.08  124.357 -0.000000 0.000000 
1 1 1   32    0   12 o  224.446  150.824  -1.1283   3.0062  -1.1283   3.0062  -1.1283   3.0062  224.446  150.824  224.446  150.824 -0.000000 0.000000 
1 1 1   32    0   14 o  1194.83  133.971   23.579   4.8505   23.579   4.8505   23.579   4.8505  1194.83  133.971  1194.83  133.971 -0.000000 0.000000 
1 1 1   32    0   16 o  422.710  216.915   4.3493   3.6504   4.3493   3.6504   4.3493   3.6504  422.710  216.915  422.710  216.915 -0.000000 0.000000 
1 1 1   32    0   18 o  708.985  222.419   10.311   4.3345   10.311   4.3345   10.311   4.3345  708.985  222.419  708.985  222.419 -0.000000 0.000000 
1 1 1   32    0   20 o  768.992  212.311   11.653   4.4213   11.653   4.4213   11.653   4.4213  768.992  212.311  768.992  212.311 -0.000000 0.000000 
1 1 1   32    0   22 o  282.060  184.566  -0.1059   4.0354  -0.1059   4.0354  -0.1059   4.0354  282.060  184.566  282.060  184.566 -0.000000 0.000000 
1 1 1   32    0   24 f  588.218  242.631   8.2281   4.4300   8.2281   4.4300   8.2281   4.4300  588.218  242.631  588.218  242.631 -0.000000 0.000000 
1 1 1   32    0   26 o  965.782  207.750   17.534   5.5139   17.534   5.5139   17.534   5.5139  965.782  207.750  965.782  207.750 -0.000000 0.000000 
1 1 1   32    0   28 o  909.788  228.826   16.357   5.6381   16.357   5.6381   16.357   5.6381  909.788  228.826  909.788  228.826 -0.000000 0.000000 
1 1 1   32    0   30 o  388.983  231.711   3.4844   4.9586   3.4844   4.9586   3.4844   4.9586  388.983  231.711  388.983  231.711 -0.000000 0.000000 
1 1 1   32    0   32 o  509.546  251.447   6.9743   4.8074   6.9743   4.8074   6.9743   4.8074  509.546  251.447  509.546  251.447 -0.000000 0.000000 
1 1 1   32    1    1 o  524.206  141.633   4.6079   2.3799  -0.1342   3.5010   8.6814   3.2448  375.818  162.427  718.242  149.158 -342.4246 220.5229 
1 1 1   32    1    3 o  812.930  108.910   10.746   2.7026   9.7503   3.8510   11.712   3.7938  756.570  167.023  836.447  150.379 -79.87726 224.7457 
1 1 1   32    1    5 o  820.194  129.705   11.102   3.2203   8.4854   3.7970   17.809   6.0786  703.317  173.491  1015.36  198.304 -312.0396 263.4832 
1 1 1   32    1    7 o  482.519  145.245   3.8431   2.3742   5.2103   3.4706   2.6404   3.2551  560.600  176.872  451.284  169.676 109.3161 245.0992 
1 1 1   32    1    9 o  551.138  143.292   5.1310   2.4959   3.8001   3.5571   6.4217   3.5030  504.058  179.240  613.201  174.240 -109.1431 249.9733 
1 1 1   32    1   11 o  1520.93   88.059   36.936   4.1758   38.534   6.0091   35.443   5.8070  1538.29  125.856  1474.40  127.023 63.89563 178.8147 
1 1 1   32    1   13 o  404.750  147.886   2.2807   2.4412   6.9902   3.5224  -2.0721   3.3865  634.757  172.650  322.111  147.779 312.6460 227.2592 
1 1 1   32    1   15 o  449.336  157.154   3.1254   2.7255   7.0773   4.3582   0.5870   3.4928  633.260  197.961  389.159  165.067 244.1019 257.7514 
1 1 1   32    1   17 o  692.586  137.301   8.2453   2.8724   3.9754   4.3727   11.486   3.8096  515.960  196.040  811.562  155.575 -295.6018 250.2706 
1 1 1   32    1   19 o  683.069  134.927   8.1091   2.7835   9.6567   4.1949   6.8916   3.7206  719.613  185.110  610.981  181.353 108.6329 259.1420 
1 1 1   32    1   21 f  945.580  111.538   15.092   3.2389   16.724   4.8004   13.729   4.3883  956.814  166.258  863.503  168.348 93.31079 236.6069 
1 1 1   32    1   23 o  222.954  108.961  -4.1815   2.5174  -2.7062   3.7490  -5.3930   3.3972  314.770  148.097  258.347  126.325 56.42273 194.6553 
1 1 1   32    1   25 o  320.336  142.092  -0.0885   2.8381  -1.6779   3.8026   1.9104   4.2645  330.500  153.392  422.686  180.923 -92.18613 237.1964 
1 1 1   32    1   27 o  309.143  138.518  -0.2337   2.7688  -4.0060   3.5916   5.2919   4.3469  280.068  135.284  507.449  194.825 -227.3813 237.1885 
1 1 1   32    1   29 o  629.935  161.063   8.1154   3.1893   7.5592   4.1628   8.9058   4.9625  572.563  194.464  599.821  211.878 -27.25836 287.5911 
1 1 1   32    1   31 o  305.661  145.798  -2.3019   3.8812   10.560   6.3312 -10.0453   4.9125  585.096  232.034  266.374  133.759 318.7220 267.8273 
1 1 1   32    2    0 o  392.273  143.294   2.0766   2.2918   2.4348   3.2986   1.7424   3.1864  446.262  170.100  417.128  164.868 29.13452 236.8865 
1 1 1   32    2    2 o  992.619   97.678   15.834   2.9967   18.578   4.0637   12.564   4.4366  1068.12  123.798  860.248  170.732 207.8691 210.8918 
1 1 1   32    2    4 o  1105.30   92.480   19.557   3.1713   18.077   4.5166   20.996   4.4538  1047.07  141.372  1134.67  127.567 -87.59900 190.4187 
1 1 1   32    2    6 o  499.444  160.623   4.0361   2.8517   4.1093   3.3343   3.8368   5.5029  512.074  174.039  559.203  217.962 -47.12921 278.9212 
1 1 1   32    2    8 o  326.467  134.258   0.6391   2.2070  -4.9225   3.2677   5.3041   2.9927  267.596  129.204  560.789  161.599 -293.1929 206.9006 
1 1 1   32    2   10 o  577.805  142.923   5.6518   2.5715   6.7335   3.8172   4.7530   3.4796  626.755  183.057  540.324  177.685 86.43121 255.1114 
1 1 1   32    2   12 o  556.115  144.962   5.2559   2.5501   6.6989   3.8214   4.0974   3.4239  623.237  183.480  510.649  176.281 112.5883 254.4407 
1 1 1   32    2   14 o  923.431  111.320   13.960   3.1539   18.365   4.9880   11.026   4.0710  1040.15  158.130  797.383  168.334 242.7672 230.9576 
1 1 1   32    2   16 o  660.155  170.186   7.7236   3.5404   10.146   4.5064   3.8177   5.7222  748.403  191.508  546.924  219.363 201.4792 291.1967 
1 1 1   32    2   18 o  1008.85  104.123   16.775   3.2419   15.604   4.7079   17.831   4.4708  938.065  166.371  1018.24  144.259 -80.17316 220.2041 
1 1 1   32    2   20 o  355.583  146.432   1.1003   2.6298   0.7418   3.2081   1.8349   4.5920  370.396  157.688  449.836  189.949 -79.43945 246.8731 
1 1 1   32    2   22 o  680.349  135.518   8.2297   2.7856   7.2225   3.8136   9.3818   4.0785  610.251  184.169  694.928  184.387 -84.67664 260.6086 
1 1 1   32    2   24 o  486.245  172.193   4.3710   3.2796   5.3665   3.9455   2.1453   5.8994  526.717  188.615  471.077  207.083 55.63971 280.1054 
1 1 1   32    2   26 o  275.094  127.057  -1.2787   2.5627   1.6070   3.6306  -4.1441   3.6179  393.464  167.636  281.355  135.874 112.1084 215.7856 
1 1 1   32    2   28 o  553.708  158.995   6.1721   2.9017   6.7779   4.0706   5.5463   4.1374  553.722  192.148  509.743  191.366 43.97852 271.1856 
1 1 1   32    2   30 o  257.898  122.960  -2.3399   2.7539  -7.1600   3.8285   2.8282   3.9643  249.831  124.315  414.785  175.892 -164.9542 215.3886 
1 1 1   32    2   32 o  521.822  176.195   6.4295   3.4172   3.8020   4.6472   9.5229   5.0423  429.951  186.478  578.273  212.348 -148.3218 282.6051 
1 1 1   32    3    1 o  714.238  120.139   8.3958   2.5915   7.6782   3.6036   9.1643   3.7294  670.619  171.064  733.954  166.146 -63.33508 238.4688 
1 1 1   32    3    3 o  1367.34  103.772   29.999   4.4098   30.747   8.0539   29.678   5.2700  1343.98  197.248  1352.32  125.903 -8.340332 234.0048 
1 1 1   32    3    5 o  346.729  138.727   1.0394   2.2824  -1.0458   3.2946   2.9635   3.1649  341.660  152.234  461.281  168.408 -119.6209 227.0161 
1 1 1   32    3    7 o  1131.69  111.138   20.699   3.8875   22.462   4.8236   17.432   6.5666  1171.36  133.918  995.924  216.729 175.4387 254.7657 
1 1 1   32    3    9 o  467.083  146.442   3.5509   2.3830   7.0946   3.5154   0.5385   3.2413  643.330  171.419  380.175  160.008 263.1548 234.4936 
1 1 1   32    3   11 o  231.142  110.203  -2.7929   2.2121  -1.8987   3.4238  -3.4336   2.8982  328.853  150.010  267.271  127.065 61.58197 196.5925 
1 1 1   32    3   13 o  1046.30   95.533   17.654   3.0954   9.5993   4.3805   25.688   4.3746  738.052  188.788  1257.26  112.302 -519.2126 219.6646 
1 1 1   32    3   15 o  581.506  142.399   5.8151   2.5722   8.1511   3.7139   3.6616   3.5658  679.579  173.831  491.874  178.882 187.7047 249.4316 
1 1 1   32    3   17 o  377.177  152.152   1.3849   2.7702   9.1465   5.4651  -1.2988   3.2136  696.629  222.184  324.327  146.924 372.3026 266.3690 
1 1 1   32    3   19 o  386.020  148.579   1.9692   2.5324  -0.1072   3.7403   3.7266   3.4411  374.214  164.687  480.238  175.561 -106.0240 240.7147 
1 1 1   32    3   21 o  578.621  156.049   6.1352   2.8921   5.8730   4.2287   6.3657   3.9642  560.258  195.763  578.827  189.622 -18.56903 272.5435 
1 1 1   32    3   23 o  369.597  147.391   1.7130   2.5678   3.9974   3.4946  -0.9676   3.7855  477.743  176.555  348.296  158.436 129.4471 237.2208 
1 1 1   32    3   25 o  559.978  157.468   6.0219   2.8765   1.2099   4.0903   10.731   4.0461  401.263  174.492  734.546  177.821 -333.2836 249.1342 
1 1 1   32    3   27 o  220.507  107.995  -4.0989   2.5127  -0.7438   3.5084  -7.6322   3.6003  330.979  151.318  239.936  119.579 91.04222 192.8634 
1 1 1   32    3   29 o  413.535  160.865   3.0744   2.9929   6.6880   4.2167  -0.5943   4.2487  540.960  194.856  354.254  163.611 186.7058 254.4353 
1 1 1   32    3   31 o  262.070  125.346  -2.4413   2.9095  -5.5453   4.1952   0.4354   4.0387  278.239  136.925  357.262  162.952 -79.02332 212.8421 
1 1 1   32    4    0 o  756.837  133.664   9.4920   3.0518   16.384   5.0837   5.6093   3.8159  986.365  170.782  583.223  185.618 403.1412 252.2314 
1 1 1   32    4    2 o  548.653  158.904   5.0382   2.8872   5.2126   5.8009   4.9808   3.3288  606.613  226.817  550.290  173.171 56.32373 285.3667 
1 1 1   32    4    4 o  329.610  135.875   0.6142   2.2672  -2.6678   3.3340   3.4375   3.0923  309.498  143.639  478.822  167.400 -169.3235 220.5786 
1 1 1   32    4    6 o  721.993  122.167   8.5943   2.6634   13.860   3.9167   4.0655   3.6325  914.895  141.271  517.521  181.404 397.3739 229.9234 
1 1 1   32    4    8 o  679.814  153.236   7.8311   3.1839   9.2061   3.9831   5.3980   5.2986  731.969  175.959  599.308  218.040 132.6605 280.1838 
1 1 1   32    4   10 o  443.780  147.807   3.0905   2.4050   0.5424   3.6082   5.1275   3.2261  398.022  168.240  553.540  169.876 -155.5178 239.0864 
1 1 1   32    4   12 f  429.914  148.413   2.8179   2.4269   3.2481   3.4818   2.4114   3.3847  478.924  176.366  445.365  171.674 33.55930 246.1239 
1 1 1   32    4   14 o  710.383  124.371   8.4376   2.6657   11.692   3.6759   4.8281   3.8714  830.193  146.775  544.223  187.471 285.9703 238.0927 
1 1 1   32    4   16 o  549.866  155.335   5.2673   2.7925   1.8164   3.9452   8.7323   3.9532  439.962  180.050  697.570  179.839 -257.6083 254.4799 
1 1 1   32    4   18 o  977.164  124.092   16.086   3.7113   13.730   4.4513   21.459   6.7217  876.706  168.268  1069.24  208.254 -192.5314 267.7386 
1 1 1   32    4   20 o  406.628  153.506   2.4091   2.6701   4.1524   3.9849   0.9886   3.5971  501.672  187.909  393.292  167.194 108.3794 251.5230 
1 1 1   32    4   22 o  478.613  157.882   4.1093   2.7464   3.7883   3.8734   4.4337   3.8947  480.091  184.006  502.437  186.246 -22.34634 261.8124 
1 1 1   32    4   24 o  538.588  160.755   5.5153   2.9174  -4.0580   4.2711   13.889   3.9945  316.593  151.541  868.129  152.513 -551.5364 214.9996 
1 1 1   32    4   26 o  194.772   97.399  -6.1038   2.4784  -3.6237   3.3362  -9.1580   3.7022  275.041  132.247  232.878  116.827 42.16306 176.4586 
1 1 1   32    4   28 o  462.974  167.218   4.2012   3.1082   2.9228   4.1121   5.9051   4.7474  432.121  180.961  520.507  202.566 -88.38583 271.6246 
1 1 1   32    4   30 o  363.605  157.177   1.4228   3.2795   3.6525   5.3718   0.0979   4.1407  452.156  198.213  359.286  164.309 92.86963 257.4608 
1 1 1   32    5    1 o  798.245  158.002   10.722   3.8095   0.0000   0.0000   10.722   3.8095  ?   ?   798.245  158.002 0.000000 158.0024 
1 1 1   32    5    3 o  886.423  109.494   12.733   2.9745   16.425   4.4048   9.6379   4.0330  996.994  145.373  751.132  174.760 245.8624 227.3197 
1 1 1   32    5    5 o  1171.38   91.420   21.924   3.3266   22.775   5.0917   21.289   4.3941  1178.31  140.790  1144.40  124.639 33.90942 188.0341 
1 1 1   32    5    7 o  429.997  145.272   2.8377   2.3230  -0.6134   3.7209   5.0421   2.9738  375.242  164.719  548.997  161.923 -173.7556 230.9798 
1 1 1   32    5    9 o  383.746  145.844   1.7761   2.4205   6.3563   4.2708  -0.3913   2.9379  615.604  196.420  337.300  147.257 278.3040 245.4900 
1 1 1   32    5   11 o  1279.14  102.792   26.353   4.0824   19.603   6.9144   29.965   5.0581  1051.90  217.122  1357.75  120.215 -305.8579 248.1809 
1 1 1   32    5   13 o  871.724  133.590   12.668   3.5302   20.901   6.7741   9.5988   4.1363  1085.87  206.782  740.068  180.182 345.8036 274.2706 
1 1 1   32    5   15 o  353.438  148.675   0.5700   2.7959   8.4341   5.6325  -2.0014   3.2207  682.272  226.150  311.764  143.432 370.5086 267.7996 
1 1 1   32    5   17 o  1108.64  114.738   20.368   3.9254   17.332   6.4183   22.183   4.9615  955.677  219.152  1141.48  141.872 -185.8044 261.0657 
1 1 1   32    5   19 o  581.689  163.822   6.1362   3.1109   4.8671   5.1595   6.8610   3.8995  547.110  211.659  607.457  186.823 -60.34711 282.3162 
1 1 1   32    5   21 o  337.111  143.419   0.5636   2.6504  -1.3491   4.1271   1.9060   3.4576  360.372  164.509  412.236  168.613 -51.86353 235.5712 
1 1 1   32    5   23 o  686.753  186.659   9.3235   4.1190   7.6047   6.0262   10.831   5.6429  605.346  230.108  707.144  225.793 -101.7986 322.3854 
1 1 1   32    5   25 o  538.539  176.857   5.7221   3.4476   0.3430   6.0093   8.3613   4.2093  438.175  199.436  633.893  193.961 -195.7180 278.2011 
1 1 1   32    5   27 o  384.353  162.209   1.6684   3.3457   10.173   5.9249  -2.3129   4.0540  643.040  231.045  326.152  153.618 316.8882 277.4531 
1 1 1   32    5   29 o  484.544  174.578   4.8759   3.3850   4.8298   5.4069   4.9055   4.3409  487.089  205.921  484.565  192.142 2.524414 281.6419 
1 1 1   32    5   31 o  229.569  113.651  -5.3730   3.0448  -4.5940   4.8486  -5.8802   3.9124  311.965  152.189  264.036  130.369 47.92871 200.3937 
1 1 1   32    6    0 o  656.240  170.026   7.3200   3.5221   0.0000   0.0000   7.3200   3.5221  ?   ?   656.240  170.026 0.000000 170.0258 
1 1 1   32    6    2 o  806.925  122.804   10.667   3.0050   13.849   4.9392   8.7973   3.7864  902.205  181.131  718.834  170.752 183.3705 248.9268 
1 1 1   32    6    4 o  880.299  119.690   12.635   3.2136   13.877   5.5724   12.015   3.9337  894.865  203.472  847.585  153.886 47.28021 255.1108 
1 1 1   32    6    6 o  719.176  132.336   8.5842   2.8703   9.0195   5.0784   8.3799   3.4793  722.208  211.201  702.761  161.502 19.44714 265.8741 
1 1 1   32    6    8 o  871.352  116.552   12.383   3.1003   11.274   5.3629   12.939   3.7996  801.672  210.829  882.858  142.283 -81.18591 254.3481 
1 1 1   32    6   10 o  381.319  147.358   1.6422   2.4987   3.7418   4.4077   0.6480   3.0331  524.409  197.391  372.513  155.657 151.8961 251.3809 
1 1 1   32    6   12 o  569.022  153.716   5.5299   2.8035   3.7249   4.8218   6.4518   3.4458  532.099  204.960  611.675  172.465 -79.57550 267.8673 
1 1 1   32    6   14 o  708.243  151.161   8.6304   3.2502   3.3458   6.4266   10.447   3.7675  558.573  229.335  777.217  160.137 -218.6441 279.7109 
1 1 1   32    6   16 o  992.768  118.602   16.369   3.6139   21.771   7.0429   14.438   4.2104  1083.88  215.107  915.111  152.291 168.7687 263.5596 
1 1 1   32    6   18 o  699.320  158.285   8.7266   3.3853   6.7826   7.0772   9.3033   3.8549  626.682  246.337  714.498  173.936 -87.81696 301.5552 
1 1 1   32    6   20 o  291.555  132.685  -1.1541   2.6588   0.3406   3.9288  -2.4170   3.6114  390.126  170.304  318.267  148.306 71.85825 225.8274 
1 1 1   32    6   22 o  357.621  154.161   0.5384   3.1373  -0.8522   4.5165   1.8351   4.3612  383.241  173.840  436.046  184.674 -52.80453 253.6232 
1 1 1   32    6   24 o  483.919  168.349   4.3070   3.1256   10.825   5.3678   0.9635   3.8446  705.841  219.543  391.673  169.745 314.1674 277.5108 
1 1 1   32    6   26 o  372.944  158.494   1.2783   3.2306   2.5918   6.1730   0.7829   3.7912  474.947  210.168  379.488  166.434 95.45914 268.0873 
1 1 1   32    6   28 o  336.476  152.172  -0.2551   3.4307   5.9926   6.1385  -3.0930   4.1372  526.080  220.744  315.564  150.524 210.5159 267.1808 
1 1 1   32    6   30 o  408.475  164.616   2.9187   3.2392   5.5835   4.7870   0.6679   4.3993  496.558  200.116  378.400  171.616 118.1573 263.6255 
1 1 1   32    7    1 o  393.518  149.674   1.8363   2.5506   0.1920   4.6250   2.5549   3.0575  438.612  188.096  442.977  164.859 -4.364868 250.1167 
1 1 1   32    7    3 o  357.404  145.690   0.8817   2.5704  -1.6910   4.3195   2.2920   3.1982  383.379  172.307  438.184  167.378 -54.80515 240.2185 
1 1 1   32    7    5 f  485.290  162.637   3.6730   2.9113   6.2904   4.7631   2.1120   3.6784  622.362  208.030  450.529  177.435 171.8336 273.4217 
1 1 1   32    7    7 o  334.414  143.130   0.0378   2.6686   0.5491   4.1241  -0.3304   3.5001  423.800  179.542  370.883  161.348 52.91666 241.3882 
1 1 1   32    7    9 o  525.561  166.407   4.5345   3.0699   3.8056   4.7038   5.0753   4.0518  535.684  203.378  563.811  191.851 -28.12665 279.5882 
1 1 1   32    7   11 o  325.532  142.307  -0.3831   2.7518   3.0525   4.2333  -2.8971   3.6213  495.836  191.751  320.456  149.052 175.3799 242.8681 
1 1 1   32    7   13 o  627.304  154.503   6.7894   3.0148   4.1161   4.8802   8.4393   3.8339  541.830  206.809  693.485  176.200 -151.6544 271.6919 
1 1 1   32    7   15 o  401.372  154.116   2.0346   2.7203  -1.0707   4.3956   3.9621   3.4632  389.837  174.612  499.032  176.923 -109.1951 248.5780 
1 1 1   32    7   17 o  499.682  181.604   4.0030   3.6743   1.5735   4.3035   10.537   7.0576  442.059  185.123  730.289  253.033 -288.2294 313.5224 
1 1 1   32    7   19 o  682.213  145.023   8.2226   3.0025   11.883   4.6291   5.5644   3.9449  796.002  188.612  555.622  189.301 240.3796 267.2258 
1 1 1   32    7   21 o  577.235  152.113   6.0631   2.7880   4.7177   4.4246   6.9491   3.5905  523.348  197.596  606.663  177.639 -83.31512 265.7064 
1 1 1   32    7   23 o  414.178  150.988   2.7973   2.5426   2.1292   3.8453   3.3164   3.3894  425.898  176.383  452.400  172.427 -26.50183 246.6612 
1 1 1   32    7   25 o  626.406  146.740   7.3019   2.8278   7.9666   4.2423   6.7703   3.7934  619.897  195.548  579.680  185.132 40.21753 269.2820 
1 1 1   32    7   27 o  493.858  160.602   4.7443   2.8456   8.3163   4.2359   1.8066   3.8415  620.918  195.338  403.624  172.212 217.2944 260.4109 
1 1 1   32    7   29 o  577.471  168.396   6.9351   3.2325   4.8892   4.8045   8.6273   4.3694  488.014  199.087  612.705  198.998 -124.6906 281.4890 
1 1 1   32    8    0 f  743.105  123.467   9.0641   2.7721   10.960   4.0984   7.4653   3.7636  805.988  167.846  663.173  177.662 142.8148 244.4098 
1 1 1   32    8    2 o  860.864  112.470   12.016   2.9592   7.7429   4.2265   16.125   4.1447  674.666  191.279  992.091  137.085 -317.4244 235.3293 
1 1 1   32    8    4 o  646.472  147.053   7.0212   2.9096   7.7151   5.2502   6.7137   3.4955  678.854  217.904  629.688  172.286 49.16675 277.7853 
1 1 1   32    8    6 o  615.940  144.965   6.3838   2.7494   8.9701   3.8921   3.8079   3.8843  725.014  173.721  515.495  186.817 209.5192 255.1071 
1 1 1   32    8    8 o  823.298  123.561   11.130   3.0870   9.6144   4.4121   12.583   4.3207  745.564  188.798  862.108  166.081 -116.5447 251.4507 
1 1 1   32    8   10 o  496.176  193.604   2.9173   4.3453  -2.3406   6.4148   7.3757   5.9070  459.313  207.871  666.769  231.462 -207.4566 311.1034 
1 1 1   32    8   12 o  297.593  134.589  -1.2480   2.6837   0.5092   3.6278  -3.3720   3.9885  395.396  167.994  331.082  154.803 64.31390 228.4420 
1 1 1   32    8   14 o  930.942  121.048   14.365   3.4451   19.244   4.7271   8.8377   5.0312  1067.66  145.163  696.994  211.802 370.6708 256.7733 
1 1 1   32    8   16 o  1192.98  103.252   23.284   3.8190   20.280   5.1030   27.107   5.7576  1084.60  154.638  1260.18  148.783 -175.5793 214.5911 
1 1 1   32    8   18 o  768.635  145.557   10.325   3.3750   13.780   4.4727   5.7575   5.1432  876.226  169.143  576.828  213.986 299.3976 272.7623 
1 1 1   32    8   20 o  510.525  170.235   4.6316   3.1898   3.6396   4.3995   5.7310   4.6316  493.665  194.168  562.910  203.999 -69.24509 281.6325 
1 1 1   32    8   22 f  301.712  135.030  -0.5843   2.6229   0.7215   4.0245  -1.5485   3.4583  398.554  173.198  324.290  148.986 74.26425 228.4607 
1 1 1   32    8   24 o  412.365  155.302   2.6956   2.7291   2.1917   4.4698   2.9951   3.4460  442.074  187.078  439.987  172.209 2.086884 254.2715 
1 1 1   32    8   26 f  342.645  144.634   0.9656   2.6608  -2.0116   3.8838   3.5990   3.6527  327.996  153.160  457.383  177.772 -129.3867 234.6502 
1 1 1   32    8   28 o  451.063  161.363   3.8575   2.8870   0.1932   4.4736   6.4727   3.7794  383.021  173.446  552.486  185.303 -169.4651 253.8120 
1 1 1   32    9    1 o  386.984  146.056   1.8127   2.4168   0.5414   3.7014   2.7577   3.1910  405.767  170.896  456.363  168.699 -50.59619 240.1348 
1 1 1   32    9    3 o  1112.75   94.467   19.785   3.2604   14.497   4.7551   24.477   4.4791  929.288  169.666  1232.19  117.516 -302.9044 206.3892 
1 1 1   32    9    5 o  724.541  140.884   8.7484   3.0812   3.1553   5.4604   11.361   3.7321  543.171  215.462  825.451  149.914 -282.2799 262.4838 
1 1 1   32    9    7 f  336.794  139.473   0.5860   2.4042   1.8703   3.6393  -0.4085   3.2025  440.430  175.524  352.649  153.857 87.78067 233.4106 
1 1 1   32    9    9 o  1145.51  121.470   21.367   4.2905   15.253   8.1102   23.743   5.0559  909.168  267.195  1202.22  136.740 -293.0523 300.1517 
1 1 1   32    9   11 o  704.509  150.382   8.4620   3.2164   6.0917   4.2567   11.616   4.9103  600.462  196.484  810.557  195.690 -210.0949 277.3097 
1 1 1   32    9   13 o  259.049  122.883  -3.0112   2.6816  -1.9358   3.5298  -4.4792   4.1239  331.287  151.578  319.520  151.807 11.76718 214.5257 
1 1 1   32    9   15 o  276.351  128.316  -2.0227   2.6653   0.8986   3.4264  -6.4980   4.2410  392.322  164.786  297.040  144.328 95.28186 219.0551 
1 1 1   32    9   17 o  359.437  149.897   0.8525   2.8049   2.1081   3.6511  -0.9557   4.3816  434.056  174.825  387.052  173.781 47.00388 246.5026 
1 1 1   32    9   19 o  883.720  130.669   13.378   3.5068   8.9720   4.6436   19.227   5.3496  683.940  202.509  1033.32  171.339 -349.3824 265.2678 
1 1 1   32    9   21 o  729.925  153.472   9.6146   3.3964   4.5693   4.4371   16.753   5.2781  519.962  197.500  944.117  185.154 -424.1550 270.7180 
1 1 1   32    9   23 o  889.917  138.148   14.015   3.7247   13.595   5.4315   14.388   5.1176  814.866  211.152  854.530  195.499 -39.66461 287.7583 
1 1 1   32    9   25 o  365.061  173.169  -3.5193   5.3253   0.0000   0.0000  -3.5193   5.3253  ?   ?   365.061  173.169 0.000000 173.1693 
1 1 1   32    9   27 o  403.177  166.238   2.1636   3.3947   3.2611   4.7910   1.0571   4.8106  462.934  194.671  414.840  184.454 48.09406 268.1795 
1 1 1   32    9   29 o  473.740  172.189   4.4904   3.3033   10.728   4.2920  -4.5729   5.1737  701.664  190.467  333.599  161.448 368.0648 249.6859 
1 1 1   32   10    0 o  310.559  133.388  -0.0823   2.3324   1.1561   3.6197  -0.9616   3.0500  419.878  172.220  331.004  147.039 88.87405 226.4514 
1 1 1   32   10    2 o  720.316  126.105   8.5388   2.7407   7.7288   3.9470   9.2928   3.8085  674.701  182.445  741.452  167.936 -66.75037 247.9689 
1 1 1   32   10    4 o  614.497  141.238   6.3272   2.6607   4.4309   4.0886   7.7201   3.5042  544.295  192.314  674.797  166.794 -130.5022 254.5679 
1 1 1   32   10    6 o  822.622  122.331   11.083   3.0551   9.5293   4.4233   12.500   4.2248  743.716  189.423  861.755  162.527 -118.0394 249.5918 
1 1 1   32   10    8 o  467.188  150.605   3.5080   2.5060   3.4678   3.5385   3.5484   3.5494  491.184  178.262  494.516  178.680 -3.331421 252.3964 
1 1 1   32   10   10 o  1041.88  104.558   17.580   3.3651   16.521   4.6170   18.780   4.9148  991.049  153.763  1058.27  152.739 -67.22223 216.7306 
1 1 1   32   10   12 o  329.583  143.407  -0.2094   2.7660  -4.6800   3.5636   6.5660   4.3870  286.561  137.497  615.949  199.342 -329.3877 242.1628 
1 1 1   32   10   14 o  489.006  153.470   4.0385   2.6164   3.0152   3.7011   5.0609   3.6993  470.646  179.989  546.704  183.330 -76.05786 256.9165 
1 1 1   32   10   16 o  826.688  122.496   11.484   3.0749   11.475   4.4264   11.491   4.2748  796.608  181.502  800.500  175.393 -3.892395 252.4001 
1 1 1   32   10   18 o  829.865  127.922   11.725   3.2172   8.6159   4.4365   15.173   4.6724  677.026  197.236  921.701  168.089 -244.6750 259.1447 
1 1 1   32   10   20 o  240.189  114.666  -2.8446   2.4113  -1.5055   3.5262  -4.0209   3.3048  331.959  151.741  275.838  132.367 56.12152 201.3614 
1 1 1   32   10   22 o  499.443  166.796   4.4836   3.0620   4.2683   4.1454   4.7422   4.5426  503.462  190.977  524.161  199.656 -20.69849 276.2867 
1 1 1   32   10   24 f  487.949  172.038   4.3046   3.2702   3.8332   4.3979   4.8876   4.8910  487.034  193.312  524.383  205.182 -37.34827 281.9027 
1 1 1   32   10   26 o  473.831  183.390   3.9344   3.8746   6.4346   5.0548   0.3726   6.0332  559.103  211.175  440.067  200.118 119.0352 290.9326 
1 1 1   32   10   28 o  407.683  171.501   2.1277   3.7206   4.1267   4.9153  -0.5543   5.6935  481.302  199.381  406.686  188.378 74.61597 274.2971 
1 1 1   32   11    1 o  649.489  140.087   7.0354   2.7652   2.6348   4.1481   10.555   3.7097  486.645  189.361  795.146  154.564 -308.5003 244.4335 
1 1 1   32   11    3 o  598.664  148.413   6.0212   2.7682   2.1869   4.1587   9.0718   3.7095  472.487  187.841  732.449  165.624 -259.9618 250.4306 
1 1 1   32   11    5 o  217.029  105.840  -4.1986   2.3395  -6.2021   3.4986  -2.5782   3.1465  264.997  129.277  300.120  139.375 -35.12271 190.0996 
1 1 1   32   11    7 o  702.131  129.967   8.1978   2.7522   9.1601   3.6630   6.9505   4.1705  733.140  163.702  638.408  192.576 94.73224 252.7525 
1 1 1   32   11    9 o  636.702  145.134   6.8850   2.8291   8.6047   3.9113   4.9979   4.0972  704.052  177.474  558.910  192.841 145.1425 262.0776 
1 1 1   32   11   11 o  594.679  155.815   6.0930   2.9363   0.8387   3.8088   13.791   4.6102  412.078  173.445  893.415  171.026 -481.3376 243.5834 
1 1 1   32   11   13 o  519.499  162.863   4.5841   2.9474   5.2854   3.7262   3.4118   4.8174  557.601  183.899  516.015  203.109 41.58618 273.9934 
1 1 1   32   11   15 o  713.086  147.068   8.8036   3.1748   2.6234   4.1952   17.086   4.8566  471.191  188.237  991.901  161.958 -520.7098 248.3214 
1 1 1   32   11   17 o  628.516  162.087   7.0540   3.2106   5.7620   4.2108   8.8483   4.9622  571.794  195.575  685.155  210.754 -113.3605 287.5185 
1 1 1   32   11   19 o  427.886  161.407   2.6640   2.9506  -0.1955   3.9601   6.2326   4.4238  382.193  168.768  584.440  200.454 -202.2469 262.0387 
1 1 1   32   11   21 o  393.987  156.351   1.9088   2.8765   2.5680   3.9418   1.1580   4.2071  449.607  181.452  419.960  179.727 29.64749 255.3949 
1 1 1   32   11   23 o  630.236  176.349   7.5779   3.6170   9.7894   5.3674   5.7380   4.8956  686.503  220.319  555.953  208.271 130.5504 303.1789 
1 1 1   32   11   25 o  469.875  166.979   3.9524   3.0866   1.5274   4.4212   6.2580   4.3110  424.556  183.012  561.791  197.582 -137.2352 269.3181 
1 1 1   32   11   27 o  244.938  117.961  -3.2725   2.6810   1.1787   4.2976  -6.1084   3.4303  405.363  177.505  248.895  122.741 156.4684 215.8091 
1 1 1   32   12    0 o  1071.31  122.016   18.567   4.0201   11.852   5.1611   28.925   6.4103  831.146  200.603  1328.00  157.208 -496.8516 254.8640 
1 1 1   32   12    2 o  684.358  144.483   7.8292   2.9989   9.2862   4.0954   6.1448   4.4036  738.416  178.988  613.901  199.794 124.5143 268.2431 
1 1 1   32   12    4 o  412.576  159.696   1.8997   2.9383   0.9686   3.9683   3.0299   4.3717  428.528  178.466  504.328  194.910 -75.80017 264.2722 
1 1 1   32   12    6 o  1198.12  132.892   23.479   4.9016   15.703   7.1694   30.304   6.7165  933.391  242.946  1349.82  162.154 -416.4340 292.0901 
1 1 1   32   12    8 o  582.445  161.152   5.7871   3.0384   9.8737   3.9398  -0.2106   4.7729  757.349  170.272  431.485  188.052 325.8636 253.6855 
1 1 1   32   12   10 o  606.799  158.695   6.3428   3.0495   1.3666   3.9713   13.493   4.7606  434.152  179.480  881.190  178.648 -447.0387 253.2351 
1 1 1   32   12   12 o  769.732  144.572   10.087   3.3566   10.116   4.4231   10.048   5.1540  753.380  188.080  743.151  211.415 10.22876 282.9669 
1 1 1   32   12   14 o  360.995  148.426   0.9690   2.6967   1.0637   3.4092   0.8107   4.4077  397.343  165.443  432.047  184.407 -34.70410 247.7440 
1 1 1   32   12   16 o  579.325  162.308   5.9343   3.0620   4.5715   4.1198   7.6164   4.5768  530.652  192.383  645.113  203.063 -114.4609 279.7247 
1 1 1   32   12   18 o  410.106  154.587   2.3651   2.7053   0.9804   3.5989   4.1639   4.1019  398.178  168.149  512.008  190.872 -113.8298 254.3739 
1 1 1   32   12   20 o  306.587  137.114  -0.6893   2.6994  -4.9382   4.7479   1.3401   3.2813  335.603  160.407  392.790  162.824 -57.18674 228.5650 
1 1 1   32   12   22 o  475.095  165.661   3.8875   3.0275   7.5696   4.3937   0.5589   4.1774  624.949  199.207  403.391  175.866 221.5582 265.7295 
1 1 1   32   12   24 o  644.119  164.646   7.7986   3.3334   7.0738   4.5276   8.6566   4.9258  596.843  202.803  649.504  211.306 -52.66040 292.8815 
1 1 1   32   12   26 o  487.616  167.358   4.4282   3.0839   4.4884   4.3558   4.3676   4.3668  499.974  194.183  496.400  193.975 3.573395 274.4691 
1 1 1   32   13    1 o  893.978  135.972   13.133   3.6863   14.578   4.8032   11.061   5.7500  931.344  171.004  797.752  222.036 133.5921 280.2543 
1 1 1   32   13    3 o  329.905  145.177  -0.6275   2.9062  -1.9763   3.9929   0.8919   4.2378  360.477  163.491  438.148  183.608 -77.67114 245.8479 
1 1 1   32   13    5 o  397.535  160.798   1.2946   3.1030  -0.4530   3.9915   3.9640   4.9331  392.285  171.441  547.303  208.159 -155.0180 269.6707 
1 1 1   32   13    7 o  584.505  171.568   5.8107   3.3457   2.3734   4.6297   9.5679   4.8403  489.720  196.999  737.591  203.122 -247.8709 282.9614 
1 1 1   32   13    9 o  391.815  154.559   1.6032   2.7953  -0.7900   3.6636   4.9376   4.3244  365.275  161.760  559.200  197.759 -193.9253 255.4897 
1 1 1   32   13   11 o  339.533  143.374   0.3970   2.6162  -0.8923   3.6063   1.8293   3.8011  358.516  159.543  439.468  177.895 -80.95248 238.9574 
1 1 1   32   13   13 o  659.821  150.837   7.5312   3.0485   8.3105   4.1096   6.5777   4.5457  682.005  186.893  614.176  203.145 67.82953 276.0378 
1 1 1   32   13   15 o  457.890  162.400   3.2702   2.9183   3.8226   4.0364   2.6652   4.2241  505.519  189.165  473.958  189.033 31.56027 267.4262 
1 1 1   32   13   17 o  275.338  127.562  -1.8707   2.6126   1.0413   3.6444  -4.9497   3.7474  403.600  169.757  289.816  139.547 113.7835 219.7516 
1 1 1   32   13   19 o  557.942  161.519   5.5638   2.9836   7.7975   3.7682   1.8105   4.8847  651.534  179.138  464.448  196.003 187.0861 265.5327 
1 1 1   32   13   21 o  789.061  147.011   10.986   3.4986   11.479   4.6129   10.318   5.3682  778.830  190.683  720.289  218.758 58.54089 290.1988 
1 1 1   32   13   23 o  558.331  173.544   5.8094   3.3547   6.6738   4.6886   4.9026   4.8020  589.032  206.117  533.103  204.747 55.92914 290.5265 
1 1 1   32   13   25 o  772.273  142.597   10.734   3.3212   4.1078   4.7537   17.054   4.6421  500.697  200.251  963.029  159.528 -462.3319 256.0265 
1 1 1   32   14    0 o  509.492  183.691   3.7217   3.7483   3.0466   4.4890   5.2764   6.8122  509.655  197.355  634.079  243.784 -124.4236 313.6558 
1 1 1   32   14    2 o  618.786  184.918   6.4582   3.8587   8.9557   4.5819   0.3667   7.1557  720.539  197.297  536.640  232.073 183.8989 304.6046 
1 1 1   32   14    4 o  576.921  162.580   5.6282   3.0630   4.2984   4.5859   6.6991   4.1155  548.682  202.355  628.470  191.690 -79.78845 278.7339 
1 1 1   32   14    6 o  1312.68  108.226   27.803   4.4088   32.011   5.6382   21.182   7.0728  1400.24  130.081  1098.10  213.386 302.1417 249.9091 
1 1 1   32   14    8 o  527.989  166.171   4.6424   3.0650   1.9778   4.5971   6.7747   4.1124  476.234  194.565  627.051  191.691 -150.8168 273.1320 
1 1 1   32   14   10 o  573.307  163.973   5.6482   3.0919   7.3407   4.3916   3.9847   4.3539  647.567  198.112  526.070  196.540 121.4966 279.0638 
1 1 1   32   14   12 o  460.649  161.871   3.2762   2.8932   0.7805   4.1609   5.6122   4.0256  424.158  180.052  575.464  191.209 -151.3065 262.6399 
1 1 1   32   14   14 o  373.014  148.783   1.4007   2.6170   0.0223   3.5727   2.9966   3.8441  376.828  163.471  474.717  182.964 -97.88974 245.3537 
1 1 1   32   14   16 o  317.795  139.242  -0.2943   2.6479  -0.9458   3.4976   0.5805   4.0529  348.215  155.879  410.311  176.021 -62.09598 235.1207 
1 1 1   32   14   18 o  297.874  133.623  -0.8416   2.5845  -2.6543   3.3684   1.7535   4.0302  304.906  142.464  437.539  180.837 -132.6333 230.2127 
1 1 1   32   14   20 o  295.998  132.721  -0.7744   2.5467  -0.8246   3.6183  -0.7251   3.5850  353.039  158.255  353.660  158.101 -0.6209106 223.6976 
1 1 1   32   14   22 o  369.232  149.517   1.4156   2.6861  -2.9064   3.5609   7.1221   4.0916  307.277  144.497  613.062  191.839 -305.7845 240.1699 
1 1 1   32   15    1 o  546.594  192.199   4.5435   4.0792   4.1276   4.6909   5.8337   8.2615  547.599  204.119  675.521  265.953 -127.9213 335.2550 
1 1 1   32   15    3 o  509.314  189.294   3.5600   4.0284   2.1333   4.5681   8.5512   8.5440  483.269  195.231  738.335  275.426 -255.0657 337.6016 
1 1 1   32   15    5 o  400.072  166.093   0.9199   3.4218  -0.9533   3.7331   10.766   8.5587  366.944  162.854  787.745  278.254 -420.8008 322.4078 
1 1 1   32   15    7 o  506.290  162.080   4.2037   2.9062   2.0613   4.0180   6.5542   4.2086  458.175  183.799  619.949  194.655 -161.7734 267.7174 
1 1 1   32   15    9 o  735.961  154.790   9.2547   3.4540   12.071   5.2729   7.1382   4.5713  822.697  205.337  642.265  203.030 180.4319 288.7633 
1 1 1   32   15   11 o  512.627  163.040   4.3859   2.9444   1.6202   4.0986   7.3356   4.2327  445.318  183.026  646.188  193.803 -200.8707 266.5671 
1 1 1   32   15   13 o  438.429  163.039   2.6847   2.9893   4.8025   4.1341   0.3640   4.3275  546.032  193.331  420.381  181.138 125.6515 264.9297 
1 1 1   32   15   15 o  302.698  134.970  -0.7543   2.5947  -1.1983   3.5042  -0.2153   3.8607  344.107  154.875  384.264  168.254 -40.15707 228.6824 
1 1 1   32   15   17 f  297.397  138.263  -2.3229   3.1102  -0.2278   3.7673  -6.8078   5.5119  377.764  165.787  351.562  169.269 26.20160 236.9331 
1 1 1   32   15   19 o  317.754  141.057  -0.5680   2.8023   0.8452   3.8399  -2.1784   4.0990  405.223  172.517  350.981  161.599 54.24191 236.3821 
1 1 1   32   15   21 o  353.843  158.286  -0.7194   3.5997  -6.9085   8.1391   0.7856   4.0135  436.314  208.938  407.331  174.965 28.98285 272.5216 
1 1 1   32   16    0 f  370.983  151.295   0.9717   2.7736  -1.6963   4.5967   2.4991   3.4780  396.113  177.912  455.515  174.415 -59.40155 249.1450 
1 1 1   32   16    2 o  507.927  192.476   3.3504   4.2080   9.3948   4.7436 -18.9755   9.1166  735.398  200.492  396.902  196.521 338.4958 280.7443 
1 1 1   32   16    4 o  685.007  172.676   8.0594   3.7027   7.5820   4.0264   10.675   9.4246  663.495  186.205  795.217  290.569 -131.7211 345.1126 
1 1 1   32   16    6 o  602.281  172.431   6.1960   3.4174   7.6444   3.7214  -1.5988   8.6328  665.616  175.900  545.809  244.572 119.8066 301.2580 
1 1 1   32   16    8 o  604.487  193.935   6.1834   4.1591   6.0270   4.5088   7.0754   10.771  602.459  202.395  730.542  298.062 -128.0833 360.2843 
1 1 1   32   16   10 o  508.912  171.774   4.1698   3.2479   10.476   4.9531  -0.5873   4.3019  766.441  203.118  400.514  176.427 365.9269 269.0418 
1 1 1   32   16   12 o  344.982  145.511   0.4367   2.6899   0.0417   3.6935   0.8828   3.9253  385.448  166.711  417.808  175.979 -32.35992 242.4065 
1 1 1   32   16   14 o  430.877  163.347   2.4602   3.0315   2.0315   3.8851   3.1275   4.8473  447.062  180.242  509.643  202.739 -62.58038 271.2754 
1 1 1   32   16   16 o  369.406  155.893   0.6257   3.0900  -3.1446   4.2020   5.0651   4.5597  342.704  159.786  558.885  202.429 -216.1811 257.8935 
1 1 1   32   16   18 o  410.289  155.951   2.2584   2.7678  -1.9288   3.8573   6.7025   3.9739  345.438  158.200  610.445  188.739 -265.0072 246.2718 
1 1 1   32   16   20 o  305.817  137.704  -0.9576   2.7739  -0.3252   3.5649  -1.9282   4.4164  363.187  160.262  369.554  169.257 -6.367279 233.0922 
1 1 1   32   17    1 o  760.021  153.350   9.7229   3.5236   3.1449   5.3559   14.743   4.6787  537.787  213.370  935.838  165.729 -398.0502 270.1718 
1 1 1   32   17    3 o  246.036  115.312  -2.1803   2.2358   0.8885   2.9877  -6.0860   3.3705  378.574  156.008  258.418  126.247 120.1561 200.6909 
1 1 1   32   17    5 o  526.714  177.580   4.4135   3.4711   3.7512   3.6560   10.468   11.054  504.867  181.483  806.665  310.442 -301.7983 359.5974 
1 1 1   32   17    7 o  404.726  164.956   1.2809   3.2945  -0.4529   3.4861   15.765   10.076  365.397  159.941  912.792  302.474 -547.3950 342.1579 
1 1 1   32   17    9 o  337.082  148.047  -0.5068   3.0093  -0.7660   3.1447   2.3100   10.366  338.201  149.814  644.555  279.031 -306.3538 316.7064 
1 1 1   32   17   11 o  483.333  159.940   3.7756   2.8176   0.7070   3.8157   7.4552   4.1784  409.605  173.067  652.703  191.775 -243.0978 258.3212 
1 1 1   32   17   13 o  373.032  150.626   1.2219   2.7178   6.6927   3.9810  -3.5533   3.7193  619.322  188.451  312.853  147.290 306.4693 239.1820 
1 1 1   32   17   15 o  630.877  157.972   6.9294   3.1137   9.2994   4.6257   4.9660   4.2103  717.649  198.940  552.544  195.163 165.1053 278.6854 
1 1 1   32   17   17 o  536.732  173.720   4.9346   3.3317   4.0646   4.5137   5.9759   4.9383  525.034  199.251  593.703  211.184 -68.66870 290.3442 
1 1 1   32   18    0 o  630.441  172.046   6.7534   3.4910   4.8527   5.1258   8.3978   4.7677  581.163  213.995  699.086  204.697 -117.9229 296.1329 
1 1 1   32   18    2 o  499.404  164.978   3.9611   2.9984   3.0149   4.3711   4.8021   4.1208  502.901  194.745  556.450  193.316 -53.54852 274.4027 
1 1 1   32   18    4 o  596.679  159.469   6.0421   3.0365   3.0803   4.5288   8.4611   4.0928  509.097  197.925  700.495  184.159 -191.3976 270.3493 
1 1 1   32   18    6 o  355.378  145.655   0.8384   2.5867   0.2114   3.3429   1.7740   4.0836  376.001  160.543  453.811  184.147 -77.81042 244.3035 
1 1 1   32   18    8 o  456.063  175.523   2.5323   3.5338   2.5323   3.5338   0.0000   0.0000  456.063  175.523  ?   ?  0.000000 175.5226 
1 1 1   32   18   10 o  426.986  169.664   1.8632   3.3912   3.9087   3.5408 -20.8188   11.791  505.811  178.939  462.104  227.821 43.70670 289.6923 
1 1 1   32   18   12 o  419.694  169.448   1.6133   3.4390   1.6133   3.4390   0.0000   0.0000  419.694  169.448  ?   ?  0.000000 169.4478 
1 1 1   32   18   14 o  293.319  129.411  -0.5098   2.3235   3.7616   3.1484  -5.6181   3.4431  487.959  169.007  266.740  129.707 221.2197 213.0424 
1 1 1   32   18   16 o  287.233  130.875  -1.3890   2.5966   0.8152   4.1831  -2.7706   3.3119  424.623  180.402  302.336  141.264 122.2870 229.1294 
1 1 1   32   19    1 o  415.044  164.966   1.6425   3.2068   1.2044   4.4529   2.1144   4.6221  455.401  189.303  486.291  196.408 -30.89026 272.7844 
1 1 1   32   19    3 o  493.583  173.972   3.6300   3.3439   1.7349   4.4226   6.1596   5.1095  467.755  190.938  621.938  215.307 -154.1829 287.7752 
1 1 1   32   19    5 o  250.329  122.333  -5.7780   3.1720  -2.4108   3.9042 -12.3169   5.4406  346.584  158.884  303.191  150.418 43.39297 218.7916 
1 1 1   32   19    7 o  451.271  171.717   2.5440   3.3581  -3.1664   4.4392   10.183   5.1344  360.396  166.725  761.562  208.986 -401.1658 267.3432 
1 1 1   32   19    9 f  766.720  143.316   9.8698   3.3142   3.4651   4.3579   18.656   5.1041  513.676  195.580  1054.03  159.649 -540.3494 252.4660 
1 1 1   32   19   11 o  689.685  198.676   8.3399   4.5243   8.3240   4.7671   8.4845   14.359  688.906  205.459  802.273  337.176 -113.3677 394.8430 
1 1 1   32   19   13 o  328.988  147.727  -1.1689   3.1673  -0.7247   3.2633  -8.3792   13.149  345.105  152.756  583.703  275.452 -238.5988 314.9730 
1 1 1   32   20    0 o  520.070  196.846   3.4787   4.3980   5.6962   9.5888   2.8880   4.9493  703.634  283.347  520.011  205.492 183.6231 350.0177 
1 1 1   32   20    2 o  835.757  161.202   11.744   4.0657   15.194   5.1228   5.8719   6.6828  946.869  179.350  645.189  243.015 301.6802 302.0306 
1 1 1   32   20    4 o  441.536  175.077   1.9375   3.6040   0.0000   5.0673   3.9209   5.1270  452.130  195.410  553.277  211.783 -101.1466 288.1613 
1 1 1   32   20    6 o  727.668  179.255   9.0970   4.0576   6.4696   5.6509   11.893   5.8299  639.902  226.091  821.211  221.594 -181.3086 316.5772 
1 1 1   32   20    8 o  450.117  174.918   2.3196   3.5359   0.7662   4.8017   4.1599   5.2263  456.678  193.615  560.263  213.976 -103.5856 288.5695 
1 1 1   32   20   10 o  463.856  177.808   2.6663   3.6172  -0.2522   4.9518   6.0049   5.2964  438.831  191.391  615.618  218.736 -176.7871 290.6477 
1 1 1   32   21    3 o  908.627  226.368   14.491   6.4167   0.0000   0.0000   14.491   6.4167  ?   ?   908.627  226.368 0.000000 226.3679 
1 1 1   32   21    5 o  340.623  157.066  -2.7337   3.8926  -6.4295   5.6392   0.6299   5.3798  372.248  177.052  478.730  204.016 -106.4820 270.1293 
1 1 1   32   21    7 o  367.435  161.547  -0.6611   3.5914  -3.6877   4.7719   3.2929   5.4541  369.218  171.522  544.517  215.546 -175.2987 275.4629 
1 1 1   32   22    0 o  609.502  226.126   5.1982   5.7436   5.6319   6.2601   2.8910   14.439  633.352  235.858  764.243  330.085 -130.8918 405.6906 
1 1 1   32   22    2 o  965.515  211.258   16.091   6.2094   16.202   6.8217   15.557   14.995  962.409  229.581  960.135  363.460 2.274292 429.8962 
1 1 1   32   22    4 o  559.884  250.932  -2.2389   9.0926   5.8607   10.938 -20.3563   16.359  734.412  300.087  593.911  287.341 140.5009 415.4719 
1 1 1   33    0    1 f  657.089  192.164   8.4517   3.4338   8.4517   3.4338   8.4517   3.4338  657.089  192.164  657.089  192.164 -0.000000 0.000000 
1 1 1   33    0    3 o  463.595  220.213   5.1256   3.6410   5.1256   3.6410   5.1256   3.6410  463.595  220.213  463.595  220.213 -0.000000 0.000000 
1 1 1   33    0    5 f  347.575  199.369   2.5536   3.4481   2.5536   3.4481   2.5536   3.4481  347.575  199.369  347.575  199.369 -0.000000 0.000000 
1 1 1   33    0    7 o  1401.69  132.485   32.055   5.6955   32.055   5.6955   32.055   5.6955  1401.69  132.485  1401.69  132.485 -0.000000 0.000000 
1 1 1   33    0    9 o  1380.83  131.358   31.131   5.5615   31.131   5.5615   31.131   5.5615  1380.83  131.358  1380.83  131.358 -0.000000 0.000000 
1 1 1   33    0   11 o  1355.14  128.952   30.004   5.3580   30.004   5.3580   30.004   5.3580  1355.14  128.952  1355.14  128.952 -0.000000 0.000000 
1 1 1   33    0   13 f  678.243  216.742   9.4163   4.0570   9.4163   4.0570   9.4163   4.0570  678.243  216.742  678.243  216.742 -0.000000 0.000000 
1 1 1   33    0   15 o  775.650  199.485   11.484   4.1877   11.484   4.1877   11.484   4.1877  775.650  199.485  775.650  199.485 -0.000000 0.000000 
1 1 1   33    0   17 o  422.934  214.239   4.4229   3.5345   4.4229   3.5345   4.4229   3.5345  422.934  214.239  422.934  214.239 -0.000000 0.000000 
1 1 1   33    0   19 o  933.828  196.479   16.060   5.0578   16.060   5.0578   16.060   5.0578  933.828  196.479  933.828  196.479 -0.000000 0.000000 
1 1 1   33    0   21 o  196.571  138.975  -3.9948   3.4869  -3.9948   3.4869  -3.9948   3.4869  196.571  138.975  196.571  138.975 -0.000000 0.000000 
1 1 1   33    0   23 o  567.811  254.849   8.0875   4.8384   8.0875   4.8384   8.0875   4.8384  567.811  254.849  567.811  254.849 -0.000000 0.000000 
1 1 1   33    0   25 o  459.159  241.310   5.5304   4.5946   5.5304   4.5946   5.5304   4.5946  459.159  241.310  459.159  241.310 -0.000000 0.000000 
1 1 1   33    0   27 o  391.637  228.003   3.6788   4.6148   3.6788   4.6148   3.6788   4.6148  391.637  228.003  391.637  228.003 -0.000000 0.000000 
1 1 1   33    0   29 f  338.300  212.314   1.7839   4.6825   1.7839   4.6825   1.7839   4.6825  338.300  212.314  338.300  212.314 -0.000000 0.000000 
1 1 1   33    1    0 o  918.796  102.209   13.621   2.8907   14.371   4.2248   12.960   3.9638  928.975  150.379  881.743  148.866 47.23169 211.6011 
1 1 1   33    1    2 o  926.628  103.615   13.865   2.9549   10.318   4.1405   17.547   4.2183  776.610  174.521  1034.37  133.346 -257.7596 219.6330 
1 1 1   33    1    4 o  740.428  123.169   9.0384   2.7553   6.2633   3.8965   11.814   3.8966  609.564  186.633  838.801  154.036 -229.2373 241.9893 
1 1 1   33    1    6 o  901.058  108.609   13.171   3.0026   13.169   4.2492   13.174   4.2434  884.200  159.335  884.455  159.070 -0.2551270 225.1467 
1 1 1   33    1    8 o  964.179  103.908   15.034   3.0875   14.357   4.4452   15.666   4.2917  922.714  159.630  970.191  145.778 -47.47711 216.1779 
1 1 1   33    1   10 o  724.519  124.747   8.7210   2.7280   4.1652   3.8825   13.163   3.8338  523.475  187.141  887.117  142.868 -363.6416 235.4421 
1 1 1   33    1   12 o  321.412  137.416   0.1217   2.4550  -6.7629   3.5514   6.4228   3.3976  259.140  127.217  608.109  171.183 -348.9697 213.2784 
1 1 1   33    1   14 o  1307.82   96.442   27.702   3.9215   26.461   5.8092   28.741   5.3154  1248.20  151.755  1314.27  130.904 -66.06506 200.4133 
1 1 1   33    1   16 o  451.269  160.244   3.2292   2.8421   2.3305   4.5827   3.7910   3.6230  470.962  193.546  490.731  180.029 -19.76923 264.3303 
1 1 1   33    1   18 o  583.461  152.393   6.1157   2.8145   7.2351   4.3581   5.3147   3.6864  618.448  198.531  543.588  183.005 74.85931 270.0107 
1 1 1   33    1   20 o  503.563  163.504   4.5915   2.9498   2.3225   4.3543   6.5160   4.0101  450.371  187.202  583.250  190.701 -132.8798 267.2292 
1 1 1   33    1   22 o  292.863  133.300  -0.9940   2.6847   5.1210   4.2184  -5.1574   3.4807  523.622  193.884  265.546  129.413 258.0757 233.1068 
1 1 1   33    1   24 o  587.578  162.682   6.7078   3.0953   3.8944   4.6529   8.9411   4.1456  481.517  196.120  657.108  190.439 -175.5908 273.3684 
1 1 1   33    1   26 o  479.008  170.941   4.4929   3.2380   2.8980   4.3828   6.4096   4.8048  441.169  185.892  542.322  205.633 -101.1526 277.2014 
1 1 1   33    1   28 o  769.055  155.022   11.691   3.6042   19.123   4.7752   1.8520   5.4941  980.342  161.162  427.934  193.141 552.4082 251.5483 
1 1 1   33    1   30 o  630.511  175.275   8.8613   3.5854   12.179   4.8080   4.7049   5.3813  698.894  205.824  464.182  200.995 234.7119 287.6848 
1 1 1   33    2    1 o  785.666  117.292   10.102   2.7971   9.7104   3.9326   10.502   3.9794  754.419  170.487  786.268  166.800 -31.84888 238.5123 
1 1 1   33    2    3 o  590.239  165.636   5.8964   3.1861  -3.2696   6.1680   9.2323   3.7210  437.795  200.333  736.454  165.405 -298.6589 259.7923 
1 1 1   33    2    5 o  729.031  149.519   8.9517   3.2986   4.0690   3.8931   21.378   6.2107  523.672  187.377  1122.23  183.055 -598.5634 261.9529 
1 1 1   33    2    7 o  794.657  119.119   10.365   2.8727   10.247   4.1311   10.476   3.9973  772.297  174.894  783.246  168.022 -10.94891 242.5272 
1 1 1   33    2    9 o  325.679  137.042   0.3488   2.3767  -0.1329   3.5299   0.7482   3.2145  375.643  162.723  384.276  160.381 -8.633148 228.4745 
1 1 1   33    2   11 o  651.270  138.273   7.1829   2.7326   7.8949   4.0633   6.5950   3.6923  671.247  186.590  617.182  179.972 54.06519 259.2405 
1 1 1   33    2   13 o  825.737  119.106   11.308   2.9905   13.479   4.3809   9.4147   4.0924  882.652  164.563  728.634  180.340 154.0178 244.1387 
1 1 1   33    2   15 o  1387.20   96.471   31.249   4.1643   36.280   6.2347   27.196   5.5955  1469.31  137.098  1266.47  143.640 202.8293 198.5660 
1 1 1   33    2   17 o  371.658  149.861   1.4116   2.6861   2.4542   4.1084   0.6331   3.5501  456.609  184.907  385.444  165.030 71.16583 247.8417 
1 1 1   33    2   19 o  592.356  157.274   6.4020   2.9660   11.435   4.5322   2.6316   3.9227  774.406  188.648  450.285  181.263 324.1201 261.6184 
1 1 1   33    2   21 o  361.671  145.980   1.4758   2.5516  -1.1040   3.5434   4.2542   3.6772  336.306  153.099  492.433  181.262 -156.1271 237.2666 
1 1 1   33    2   23 o  319.548  139.246   0.2133   2.6160   8.8646   3.8009  -7.5742   3.6061  669.790  178.135  244.212  121.378 425.5788 215.5568 
1 1 1   33    2   25 o  418.651  177.624   2.1205   4.0461  -0.5547   5.3344   5.7446   6.2087  400.485  184.377  535.102  223.073 -134.6180 289.4068 
1 1 1   33    2   27 o  283.920  135.220  -2.7329   3.3116  -3.8166   5.7878  -2.2054   4.0379  361.759  174.002  323.939  152.799 37.82037 231.5692 
1 1 1   33    2   29 o  497.842  168.537   5.2938   3.1267   5.1405   4.4317   5.4458   4.4121  482.769  193.254  491.703  194.111 -8.933868 273.9087 
1 1 1   33    3    0 o  439.314  154.314   2.8378   2.6292   5.3721   4.0989   1.0661   3.4272  577.537  192.980  406.130  167.195 171.4063 255.3340 
1 1 1   33    3    2 o  632.846  179.607   6.8193   3.7244   0.0000   0.0000   6.8193   3.7244  ?   ?   632.846  179.607 0.000000 179.6069 
1 1 1   33    3    4 o  570.343  158.077   5.4894   2.9209   13.635   4.8605   0.8852   3.6543  893.504  179.951  411.104  171.240 482.4000 248.4060 
1 1 1   33    3    6 o  829.502  131.983   11.372   3.3132   7.7681   4.0421   18.752   5.7841  671.755  185.877  1049.35  182.670 -377.5925 260.6118 
1 1 1   33    3    8 o  529.967  148.728   4.7303   2.5688   1.4698   3.7755   7.5407   3.5052  432.044  176.395  662.721  168.531 -230.6767 243.9628 
1 1 1   33    3   10 o  323.966  137.362   0.2384   2.4172  -1.0623   3.5115   1.4099   3.3324  351.478  156.845  409.631  166.305 -58.15329 228.5994 
1 1 1   33    3   12 o  766.948  127.015   9.8232   2.9435   9.7143   4.2307   9.9254   4.0981  741.625  183.245  751.999  176.983 -10.37433 254.7582 
1 1 1   33    3   14 o  797.653  121.577   10.636   2.9406   8.5019   4.2660   12.568   4.0588  685.538  191.409  851.527  158.044 -165.9892 248.2243 
1 1 1   33    3   16 o  257.081  120.485  -2.1688   2.4405  -0.5220   3.5129  -3.7053   3.3931  356.549  158.122  288.070  137.108 68.47900 209.2870 
1 1 1   33    3   18 o  728.208  153.751   9.4813   3.3958   8.6829   4.3222   10.769   5.4890  674.926  194.122  734.726  220.773 -59.80023 293.9798 
1 1 1   33    3   20 o  836.691  125.128   12.088   3.1775   10.209   4.7397   13.622   4.2824  716.338  202.375  861.629  164.731 -145.2907 260.9445 
1 1 1   33    3   22 o  380.920  153.586   1.7786   2.8211   2.0525   4.0218   1.5134   3.9583  427.280  178.950  411.258  175.123 16.02289 250.3824 
1 1 1   33    3   24 o  390.944  163.025   1.7296   3.3174  -0.7249   5.3514   3.2615   4.2278  402.670  185.118  457.733  186.747 -55.06299 262.9513 
1 1 1   33    3   26 o  256.794  123.465  -3.2318   2.9067  -5.0090   5.0307  -2.3411   3.5613  327.677  158.737  304.300  143.525 23.37656 214.0019 
1 1 1   33    3   28 o  368.878  157.943   1.4831   3.2519  -5.1370   5.7059   4.6677   3.9575  341.437  166.243  476.117  185.044 -134.6806 248.7529 
1 1 1   33    3   30 o  553.981  196.278   7.5786   4.2617   3.8939   6.1949   10.889   5.8720  454.702  205.168  611.032  228.255 -156.3295 306.9105 
1 1 1   33    4    1 o  307.956  141.867  -2.2365   3.1650   0.0000   0.0000  -2.2365   3.1650  ?   ?   307.956  141.867 0.000000 141.8675 
1 1 1   33    4    3 o  1256.78  103.796   25.359   4.0481   28.901   6.9361   23.529   4.9853  1315.20  172.590  1199.98  135.023 115.2186 219.1312 
1 1 1   33    4    5 o  1170.53  103.717   22.033   3.7621   29.440   6.6311   18.517   4.5685  1331.21  162.453  1060.16  141.127 271.0557 215.1923 
1 1 1   33    4    7 o  663.414  171.864   7.5508   3.5989   1.4585   5.2397   12.992   4.9518  489.656  204.595  867.123  187.809 -377.4677 277.7254 
1 1 1   33    4    9 o  868.558  124.322   12.421   3.2847   11.967   5.5746   12.663   4.0654  819.649  214.657  865.812  155.680 -46.16357 265.1675 
1 1 1   33    4   11 o  959.924  118.473   15.125   3.4854   17.415   5.9284   13.916   4.3088  994.352  197.369  904.489  157.881 89.86353 252.7469 
1 1 1   33    4   13 o  566.888  162.325   5.5811   3.0283   2.2835   5.3946   7.0983   3.6593  503.370  208.728  633.778  177.388 -130.4080 273.9231 
1 1 1   33    4   15 o  976.195  121.747   15.915   3.6406   20.110   5.9297   13.376   4.6122  1059.36  185.520  865.313  176.208 194.0510 255.8650 
1 1 1   33    4   17 o  832.322  173.057   12.566   4.3631   18.135   5.9936   6.2864   6.3639  982.054  201.661  604.128  234.692 377.9264 309.4312 
1 1 1   33    4   19 o  758.061  190.656   11.007   4.5212   13.826   6.1764   7.7539   6.6363  817.536  231.038  630.500  241.041 187.0356 333.8855 
1 1 1   33    4   21 o  332.297  146.945  -0.1722   3.0127   3.6913   5.6477  -1.7089   3.5618  509.137  212.545  325.265  150.075 183.8715 260.1878 
1 1 1   33    4   23 o  305.455  140.119  -1.2428   3.0431   5.1896   5.7748  -3.7156   3.5805  534.513  218.186  289.203  138.515 245.3095 258.4401 
1 1 1   33    4   25 o  660.873  167.087   8.6130   3.4596   12.057   6.2387   7.0835   4.1574  703.136  238.066  579.213  194.348 123.9235 307.3220 
1 1 1   33    4   27 o  802.719  156.612   12.548   3.7951   11.735   6.4357   12.981   4.6991  664.447  240.519  773.961  194.215 -109.5144 309.1422 
1 1 1   33    4   29 o  303.758  146.497  -3.5929   4.1717  -0.1915   5.2205  -9.6023   6.9390  383.940  178.708  334.819  166.728 49.12070 244.4065 
1 1 1   33    5    0 o  429.052  162.845   2.2513   3.0152   0.0000   0.0000   2.2513   3.0152  ?   ?   429.052  162.845 0.000000 162.8452 
1 1 1   33    5    2 o  808.660  134.356   10.806   3.2827   12.586   5.4657   9.8022   4.1056  850.240  207.196  757.347  176.408 92.89227 272.1208 
1 1 1   33    5    4 o  544.595  161.885   4.9439   2.9631   10.439   4.7611   1.4699   3.7855  776.227  195.883  434.297  176.894 341.9298 263.9349 
1 1 1   33    5    6 o  1011.35  110.087   16.554   3.4299   17.625   6.0215   16.040   4.1731  1010.60  197.367  985.961  139.029 24.63824 241.4186 
1 1 1   33    5    8 o  288.927  130.585  -1.2171   2.5218   0.9229   4.2790  -2.3559   3.1215  438.132  184.095  301.907  139.717 136.2249 231.1095 
1 1 1   33    5   10 o  716.272  136.725   8.6256   2.9546   5.8600   5.1699   9.9670   3.6006  605.558  216.008  764.561  155.689 -159.0032 266.2675 
1 1 1   33    5   12 f  928.134  165.671   14.845   4.6381   13.500   7.1009   15.846   6.1253  843.623  250.567  933.420  214.125 -89.79663 329.5958 
1 1 1   33    5   14 o  669.858  196.284   8.1599   4.3824   9.6004   7.1618   7.2976   5.5409  716.174  254.367  640.756  224.077 75.41864 338.9886 
1 1 1   33    5   16 o  1031.05  120.466   17.799   3.8159   14.203   6.0612   20.160   4.9113  854.908  223.802  1080.42  149.152 -225.5063 268.9494 
1 1 1   33    5   18 o  373.647  163.003   0.1893   3.5939   0.0000   0.0000   0.1893   3.5939  ?   ?   373.647  163.003 0.000000 163.0032 
1 1 1   33    5   20 o  481.041  165.548   4.0686   3.0185   2.8338   5.0989   4.7349   3.7454  482.570  201.747  514.872  183.834 -32.30219 272.9405 
1 1 1   33    5   22 o  826.224  149.817   12.425   3.7332   11.406   6.5413   12.917   4.5463  708.055  243.699  815.799  182.537 -107.7433 304.4814 
1 1 1   33    5   24 o  447.620  181.112   3.0703   3.9379   0.1798   6.0723   5.1680   5.1731  437.536  199.661  523.286  209.035 -85.75009 289.0675 
1 1 1   33    5   26 o  588.036  185.381   7.2797   3.8131  -2.2046   7.0022   11.278   4.5463  417.741  198.279  724.989  195.706 -307.2474 278.5955 
1 1 1   33    5   28 o  636.641  191.041   9.0546   4.1121   6.6296   4.7042   16.910   8.4670  536.531  203.461  719.110  272.899 -182.5797 340.3970 
1 1 1   33    6    1 o  1160.41  104.972   21.629   3.7729   20.775   6.2327   22.123   4.7400  1108.17  186.224  1165.23  132.255 -57.06641 228.4092 
1 1 1   33    6    3 o  326.135  140.196  -0.0628   2.5804  -2.8554   4.4066   1.3944   3.1833  365.478  168.008  405.586  163.281 -40.10721 234.2805 
1 1 1   33    6    5 o  1041.10  112.458   17.541   3.6078   10.915   6.2179   20.903   4.4298  787.353  234.611  1132.75  127.083 -345.3955 266.8189 
1 1 1   33    6    7 f  616.345  150.803   6.4454   2.8866   6.5373   5.0926   6.4019   3.5038  631.653  215.085  612.729  174.313 18.92468 276.8513 
1 1 1   33    6    9 o  433.730  159.774   2.5870   2.8578  -0.5327   3.9774   5.9161   4.1088  387.898  170.288  594.084  192.974 -206.1861 257.3660 
1 1 1   33    6   11 o  730.739  127.943   8.9356   2.8208   6.9267   4.3147   10.435   3.7278  630.441  196.955  779.493  158.137 -149.0521 252.5840 
1 1 1   33    6   13 o  475.596  153.934   3.7609   2.6159  -0.0299   4.2675   6.0427   3.3109  407.053  177.599  587.043  170.208 -179.9901 245.9924 
1 1 1   33    6   15 o  582.513  152.086   5.9733   2.8039   4.7225   4.2715   6.9204   3.7168  537.245  195.723  618.961  180.591 -81.71619 266.3093 
1 1 1   33    6   17 o  990.956  112.498   16.391   3.4289   12.884   5.4478   18.692   4.4125  816.103  211.467  1043.15  138.514 -227.0491 252.7937 
1 1 1   33    6   19 o  390.492  149.317   2.1246   2.5469  -0.6322   3.7153   4.5686   3.4982  358.296  160.505  509.384  178.050 -151.0880 239.7161 
1 1 1   33    6   21 o  212.809  104.471  -4.3803   2.3947  -3.1196   3.3486  -5.7001   3.4260  289.539  137.337  257.363  126.058 32.17679 186.4196 
1 1 1   33    6   23 o  524.389  168.222   5.2349   3.1294   1.8266   4.0794   10.108   4.8781  420.889  178.452  692.476  208.137 -271.5863 274.1644 
1 1 1   33    6   25 o  749.221  145.001   10.413   3.2788   4.5554   4.7997   15.538   4.4896  498.911  200.622  899.018  165.587 -400.1065 260.1307 
1 1 1   33    6   27 o  551.798  171.195   6.2619   3.2663   7.8692   4.8847   4.9620   4.3928  583.652  209.776  495.410  194.285 88.24191 285.9241 
1 1 1   33    6   29 o  387.600  163.792   2.0968   3.4185   2.1862   5.1587   2.0269   4.5646  424.157  189.631  410.242  181.171 13.91568 262.2650 
1 1 1   33    7    0 o  588.149  144.754   5.8100   2.6478   2.2792   3.8149   9.0921   3.6780  461.731  181.060  733.067  164.301 -271.3363 244.4946 
1 1 1   33    7    2 o  577.401  158.921   5.6089   2.9639   7.2346   4.9474   4.6988   3.7017  658.438  211.546  545.486  183.385 112.9518 279.9680 
1 1 1   33    7    4 o  1010.43  105.700   16.459   3.2947   13.472   4.6148   19.564   4.7054  892.189  171.417  1091.19  141.014 -199.0020 221.9655 
1 1 1   33    7    6 o  1167.05   96.578   21.836   3.4975   26.810   5.0362   17.201   4.8610  1283.70  126.955  1014.37  158.205 269.3323 202.8456 
1 1 1   33    7    8 o  590.311  151.876   5.9297   2.8235   2.4402   3.9706   9.4991   4.0158  468.710  184.425  741.594  175.643 -272.8840 254.6826 
1 1 1   33    7   10 o  239.290  114.887  -3.4486   2.4966  -1.2483   3.4880  -5.7601   3.5751  345.139  155.000  273.079  132.646 72.05978 204.0101 
1 1 1   33    7   12 o  359.162  146.597   1.0164   2.6067   5.6755   3.6625  -3.7669   3.7110  573.535  181.776  308.010  145.650 265.5246 232.9301 
1 1 1   33    7   14 o  911.798  112.212   13.756   3.1361   18.269   4.5390   9.6345   4.3380  1036.15  143.776  727.497  188.797 308.6568 237.3099 
1 1 1   33    7   16 o  555.405  155.962   5.4754   2.8239   11.432   4.3818   1.2445   3.6930  790.965  180.855  409.231  171.441 381.7341 249.1997 
1 1 1   33    7   18 o  375.870  151.704   1.4941   2.7554   0.0512   4.6036   2.2995   3.4396  411.604  181.849  428.293  170.654 -16.68939 249.3827 
1 1 1   33    7   20 o  343.292  145.596   0.6580   2.7169   2.1617   4.6615  -0.1155   3.3434  455.891  191.883  351.655  155.188 104.2351 246.7841 
1 1 1   33    7   22 o  669.356  160.689   8.3866   3.3253   6.9906   4.4218   10.204   5.0448  591.857  200.423  699.725  211.968 -107.8680 291.7189 
1 1 1   33    7   24 o  301.124  138.825  -1.4021   3.0388  -0.4678   6.6963  -1.6444   3.4101  445.061  205.497  314.863  145.825 130.1972 251.9804 
1 1 1   33    7   26 o  445.517  165.849   3.5929   3.0948   0.4478   4.2123   7.2819   4.5620  383.709  171.466  577.861  203.252 -194.1515 265.9171 
1 1 1   33    7   28 o  415.932  162.080   3.0407   3.0424   3.1506   5.0278   2.9772   3.8214  449.777  194.519  426.466  176.161 23.31116 262.4320 
1 1 1   33    8    1 o  652.260  138.116   7.1040   2.7330   3.5792   3.8843   10.560   3.8461  508.201  186.413  792.293  160.531 -284.0923 246.0082 
1 1 1   33    8    3 o  1022.87  111.166   16.901   3.5032   15.237   6.0089   17.759   4.3117  936.358  210.110  1041.31  135.442 -104.9518 249.9819 
1 1 1   33    8    5 o  309.271  140.941  -1.7273   3.0131  -3.6606   3.6712   2.2627   5.2739  311.450  146.540  511.984  208.694 -200.5340 255.0047 
1 1 1   33    8    7 o  878.994  116.094   12.621   3.1171   12.059   4.4833   13.148   4.3369  837.915  176.454  880.908  163.238 -42.99316 240.3802 
1 1 1   33    8    9 o  768.142  138.648   9.9106   3.2121   4.8769   4.5368   14.970   4.5485  561.496  202.130  938.998  160.461 -377.5026 258.0779 
1 1 1   33    8   11 o  584.888  158.207   5.9211   2.9674   3.9904   4.1290   7.9836   4.2676  518.464  191.850  670.167  192.931 -151.7028 272.0826 
1 1 1   33    8   13 o  501.760  164.650   4.2269   2.9884   4.0968   3.9626   4.3984   4.5505  514.018  188.322  536.432  200.828 -22.41394 275.3124 
1 1 1   33    8   15 o  510.689  179.146   4.3378   3.5429   4.2879   5.7243   4.3688   4.5107  551.279  219.997  529.114  199.573 22.16522 297.0321 
1 1 1   33    8   17 o  894.034  122.252   13.516   3.3327   10.189   4.4006   17.991   5.1034  737.869  189.482  1003.21  168.429 -265.3442 253.5186 
1 1 1   33    8   19 o  421.969  175.258   1.7460   3.8121   2.9814   4.3871  -2.0626   7.7027  473.675  191.336  472.102  218.831 1.572845 290.6822 
1 1 1   33    8   21 o  687.349  162.869   8.7759   3.4517   7.9633   5.0493   9.4888   4.7292  627.992  214.166  686.712  204.605 -58.71997 296.1928 
1 1 1   33    8   23 o  498.134  167.767   4.6047   3.0981   6.8776   4.7200   2.8843   4.1064  582.829  206.554  451.840  184.162 130.9890 276.7314 
1 1 1   33    8   25 o  435.319  157.150   3.3479   2.7447   6.1673   4.1658   1.1851   3.6486  549.806  194.135  386.346  166.398 163.4604 255.6889 
1 1 1   33    8   27 o  239.557  115.577  -3.1952   2.6025  -6.3188   4.0135  -0.9289   3.4186  272.034  133.882  323.298  148.381 -51.26306 199.8532 
1 1 1   33    9    0 o  846.639  119.427   11.677   3.0781   9.7981   4.4632   13.382   4.2508  756.323  188.995  895.926  157.259 -139.6028 245.8644 
1 1 1   33    9    2 o  362.411  144.930   1.1351   2.4897  -0.1119   3.9026   1.9910   3.2332  397.665  171.680  428.678  167.074 -31.01337 239.5574 
1 1 1   33    9    4 o  655.310  145.642   7.2273   2.9110   11.474   4.9071   4.9213   3.6159  814.250  195.033  551.963  181.115 262.2869 266.1591 
1 1 1   33    9    6 o  628.401  142.900   6.6684   2.7483   11.228   4.2806   3.4707   3.5846  809.328  174.081  492.503  179.316 316.8260 249.9169 
1 1 1   33    9    8 o  844.267  120.329   11.731   3.0910   10.491   4.5150   12.826   4.2406  773.814  188.160  867.790  162.019 -93.97601 248.3030 
1 1 1   33    9   10 o  1132.45  118.436   21.018   4.1376   16.778   5.2798   27.767   6.6608  983.190  178.055  1274.77  171.197 -291.5817 247.0058 
1 1 1   33    9   12 o  586.080  156.308   5.9829   2.9212   6.1218   4.1338   5.8442   4.1287  593.141  193.603  582.457  193.648 10.68329 273.8278 
1 1 1   33    9   14 o  489.261  163.677   4.0029   2.9487   0.8220   3.9801   7.8727   4.3900  412.692  175.667  656.050  197.508 -243.3576 264.3259 
1 1 1   33    9   16 o  528.813  174.474   4.8836   3.3539   3.4662   4.1058   7.7262   5.8144  489.287  188.947  644.377  229.159 -155.0903 297.0091 
1 1 1   33    9   18 o  540.911  165.520   5.2689   3.0653   5.8096   4.0288   4.5256   4.7236  565.120  191.311  529.296  203.119 35.82336 279.0294 
1 1 1   33    9   20 o  345.363  152.081  -0.1080   3.1938   1.0862   3.7741  -3.1208   5.9945  401.013  170.886  404.550  189.352 -3.537262 255.0613 
1 1 1   33    9   22 o  449.778  175.847   3.0747   3.5902   0.6914   4.7052   6.3959   5.5543  419.293  184.615  575.972  220.441 -156.6795 287.5359 
1 1 1   33    9   24 o  602.367  191.294   7.3508   4.0545   1.6660   5.2199   15.997   6.4375  447.039  195.695  844.696  234.877 -397.6561 305.7184 
1 1 1   33    9   26 o  487.971  185.187   4.5161   3.8990   6.7313   5.0807   1.3424   6.0814  559.629  211.632  450.460  203.264 109.1696 293.4353 
1 1 1   33   10    1 o  983.311  106.995   15.585   3.2412   15.162   4.8759   15.919   4.3385  949.892  170.182  982.465  145.421 -32.57312 223.8507 
1 1 1   33   10    3 o  224.158  108.231  -3.5416   2.2930 -10.2502   3.7038   0.6276   2.9198  235.234  117.844  367.293  153.035 -132.0586 193.1498 
1 1 1   33   10    5 o  544.029  161.538   4.9581   2.9516   2.7015   5.2010   6.0301   3.5848  519.389  208.846  596.888  178.203 -77.49902 274.5417 
1 1 1   33   10    7 o  377.054  153.960   1.0570   2.8766  -0.9093   3.9149   3.3644   4.2408  376.225  166.883  505.881  192.857 -129.6559 255.0368 
1 1 1   33   10    9 o  580.176  161.996   5.7955   3.0556   0.8599   3.9768   12.910   4.7744  420.171  177.059  858.664  183.162 -438.4936 254.7516 
1 1 1   33   10   11 o  789.718  184.008   11.087   4.4658   1.7446   8.0345   15.263   5.3721  566.904  245.535  925.854  191.618 -358.9492 311.4562 
1 1 1   33   10   13 o  376.207  152.612   1.2784   2.8038   2.1080   3.9193   0.4087   4.0127  447.459  180.812  405.042  174.477 42.41763 251.2668 
1 1 1   33   10   15 o  293.606  134.201  -1.4607   2.7575  -0.6626   3.7237  -2.4299   4.1034  364.273  162.110  347.464  160.585 16.80923 228.1825 
1 1 1   33   10   17 o  479.242  163.372   3.8797   2.9382   0.2727   4.0178   8.0265   4.3079  396.227  172.615  654.216  195.359 -257.9887 260.6934 
1 1 1   33   10   19 o  316.293  140.142  -0.4078   2.7534   1.7530   3.7340  -2.9828   4.0761  420.446  173.943  331.996  155.631 88.45050 233.4033 
1 1 1   33   10   21 o  706.764  179.267   9.4962   3.9733   9.1130   7.2915   9.6580   4.7386  658.352  252.428  696.045  204.148 -37.69269 324.6483 
1 1 1   33   10   23 o  383.976  161.072   1.3470   3.2668  -1.5893   4.1302   6.2538   5.3391  351.794  162.063  567.320  216.366 -215.5258 270.3309 
1 1 1   33   10   25 o  373.150  164.375   0.4640   3.7343   6.0843   4.8948  -7.3622   5.7760  549.083  207.705  336.633  164.629 212.4499 265.0358 
1 1 1   33   11    0 o  560.862  190.981   4.9247   4.0152   4.9247   4.0152   0.0000   0.0000  560.862  190.981  ?   ?  0.000000 190.9810 
1 1 1   33   11    2 o  551.047  159.896   5.0800   2.9209   5.1016   3.7061   5.0446   4.7455  561.004  183.326  578.595  206.891 -17.59106 276.4274 
1 1 1   33   11    4 o  433.884  163.251   2.4122   3.0143   1.1241   4.1156   3.9026   4.4271  437.446  181.928  531.288  198.245 -93.84207 269.0706 
1 1 1   33   11    6 o  369.925  153.989   0.7163   2.9524   3.7092   4.0802  -2.5732   4.2776  513.161  190.549  361.501  165.939 151.6605 252.6749 
1 1 1   33   11    8 o  1118.47  117.363   20.443   4.0491   16.907   5.1622   26.097   6.5276  992.320  172.392  1237.10  173.266 -244.7784 244.4180 
1 1 1   33   11   10 o  560.896  163.679   5.4244   3.0530   8.4645   3.9747   1.0501   4.7678  691.715  181.307  454.749  192.871 236.9660 264.7102 
1 1 1   33   11   12 o  779.542  157.074   10.543   3.7016   6.5174   4.9617   15.595   5.5587  613.491  212.182  929.765  197.057 -316.2739 289.5729 
1 1 1   33   11   14 o  532.273  167.954   4.9111   3.1293   2.5148   4.2972   7.6167   4.5661  470.364  189.587  646.090  202.736 -175.7265 277.5701 
1 1 1   33   11   16 o  273.537  128.300  -2.4412   2.7768  -2.4360   3.7278  -2.4477   4.1620  327.751  152.031  349.081  161.471 -21.32910 221.7804 
1 1 1   33   11   18 o  381.890  150.956   1.7235   2.6716   0.5614   3.7709   2.8947   3.7856  391.994  168.996  459.470  180.305 -67.47604 247.1223 
1 1 1   33   11   20 o  289.327  138.137  -3.8035   3.5011  -5.7113   3.7890   7.3384   9.1567  278.401  135.534  640.222  269.172 -361.8214 301.3682 
1 1 1   33   11   22 o  410.591  160.230   2.3657   2.9766   7.8932   4.3275  -2.5977   4.1007  632.333  197.196  335.678  156.956 296.6544 252.0348 
1 1 1   33   11   24 f  567.347  163.238   6.1192   3.0558   7.7170   4.3963   4.6254   4.2507  614.842  199.605  506.729  193.105 108.1125 277.7260 
1 1 1   33   12    1 o  384.963  169.859  -0.8336   4.0038  -0.8336   4.0038   0.0000   0.0000  384.963  169.859  ?   ?  0.000000 169.8587 
1 1 1   33   12    3 o  496.335  192.464   2.9449   4.2738   2.9449   4.2738   0.0000   0.0000  496.335  192.464  ?   ?  0.000000 192.4637 
1 1 1   33   12    5 o  294.912  132.109  -0.9652   2.5169   0.6245   3.6398  -2.4218   3.4841  401.237  169.253  321.815  148.464 79.42126 225.1407 
1 1 1   33   12    7 o  539.976  155.570   4.9528   2.7738   5.5225   3.8816   4.3583   3.9654  574.310  187.612  531.290  189.213 43.01984 266.4582 
1 1 1   33   12    9 o  984.617  114.229   15.889   3.4563   11.412   4.8194   20.630   4.9595  800.201  194.291  1108.92  146.412 -308.7136 243.2807 
1 1 1   33   12   11 o  849.775  128.193   12.074   3.3049   17.027   4.6120   6.8458   4.7384  1000.38  152.018  625.418  207.432 374.9596 257.1718 
1 1 1   33   12   13 o  634.724  155.258   7.0504   3.0602   9.2860   3.9699   3.7767   4.8041  720.882  177.141  522.935  203.700 197.9473 269.9491 
1 1 1   33   12   15 o  391.998  153.296   1.8392   2.7289   3.5530   3.6069  -0.4553   4.1734  483.285  179.216  390.039  172.691 93.24600 248.8784 
1 1 1   33   12   17 o  338.887  144.333   0.4105   2.6897  -4.7460   3.6467   6.5624   3.9831  286.117  137.740  599.481  189.520 -313.3639 234.2866 
1 1 1   33   12   19 o  245.870  118.617  -3.8049   2.7403  -3.8293   4.0526  -3.7843   3.7195  318.646  151.127  302.478  143.845 16.16745 208.6401 
1 1 1   33   12   21 o  744.249  145.576   9.8574   3.2710   8.5771   4.4945   11.299   4.7696  662.438  199.937  761.705  198.108 -99.26764 281.4636 
1 1 1   33   12   23 o  391.026  158.329   1.8152   3.0118  -0.0144   4.3835   3.4512   4.1451  393.764  175.513  473.765  187.791 -80.00107 257.0414 
1 1 1   33   13    0 o  323.485  147.792  -1.9887   3.3397  -4.8912   3.7836   8.2482   7.1056  298.850  142.938  713.385  253.369 -414.5345 290.9077 
1 1 1   33   13    2 o  892.303  159.034   13.404   4.2805   9.4401   5.0293   23.823   8.1536  734.984  208.755  1158.92  232.770 -423.9341 312.6669 
1 1 1   33   13    4 o  898.104  157.173   13.607   4.2590   11.652   4.9009   19.640   8.6080  816.022  194.547  1027.71  265.582 -211.6879 329.2146 
1 1 1   33   13    6 o  507.750  168.447   4.1740   3.1246   6.9214   4.7225   2.0347   4.1672  636.245  206.895  462.019  186.531 174.2260 278.5664 
1 1 1   33   13    8 o  328.390  142.994  -0.2456   2.7543  -4.8483   4.0858   3.5881   3.7288  313.335  149.496  496.310  182.555 -182.9745 235.9558 
1 1 1   33   13   10 o  367.502  150.442   1.0256   2.7554   4.7160   3.5750  -4.3746   4.3246  534.342  180.217  331.498  156.899 202.8438 238.9465 
1 1 1   33   13   12 o  324.996  140.474  -0.0301   2.6191  -1.3178   3.4283   1.7748   4.0589  337.826  152.511  444.733  182.387 -106.9071 237.7486 
1 1 1   33   13   14 o  227.544  111.326  -4.7833   2.6495  -6.6089   3.5751  -2.5590   3.9463  260.406  127.799  339.046  156.971 -78.63971 202.4162 
1 1 1   33   13   16 f  330.805  145.068  -0.2614   2.8796   1.2905   3.7378  -2.5275   4.5167  414.093  172.893  365.089  168.642 49.00366 241.5205 
1 1 1   33   13   18 o  450.517  161.031   3.2369   2.8746   2.0868   3.8649   4.6608   4.3004  438.775  178.731  530.771  195.914 -91.99683 265.1921 
1 1 1   33   13   20 o  610.896  166.163   6.8336   3.2627   7.1736   4.2991   6.3718   5.0105  615.728  197.133  588.388  212.340 27.33923 289.7408 
1 1 1   33   13   22 o  377.470  157.812   1.1851   3.1201  -1.1637   4.2747   3.8631   4.5644  370.029  168.338  498.924  197.282 -128.8954 259.3411 
1 1 1   33   14    1 o  567.529  187.974   5.2375   3.8916   9.9320   4.6145  -6.3252   7.2420  755.624  194.027  438.094  206.030 317.5295 283.0106 
1 1 1   33   14    3 o  359.851  161.205  -1.2966   3.7480  -2.8596   4.3909   2.8999   7.1945  362.603  167.063  581.185  241.025 -218.5815 293.2630 
1 1 1   33   14    5 o  512.060  175.173   4.1496   3.3781   4.7399   3.6789   0.9761   8.5298  541.594  182.818  579.504  251.991 -37.90967 311.3228 
1 1 1   33   14    7 o  721.538  194.546   9.2018   4.4957   7.7262   5.1886   13.646   9.0046  666.455  216.872  849.930  286.020 -183.4747 358.9443 
1 1 1   33   14    9 o  479.772  166.511   3.6070   3.0569   2.5689   4.4605   4.5263   4.1976  484.814  193.949  539.786  194.416 -54.97128 274.6153 
1 1 1   33   14   11 o  1057.59  116.852   18.389   3.8050   17.559   5.3100   19.264   5.4551  1004.79  175.139  1055.87  170.831 -51.07788 244.6568 
1 1 1   33   14   13 o  387.539  151.915   1.7112   2.6849   1.4458   3.7034   2.0052   3.8980  421.036  173.622  444.922  180.133 -23.88580 250.1846 
1 1 1   33   14   15 o  369.777  152.456   1.0372   2.8549  -2.6084   3.8207   5.6456   4.2957  331.393  153.789  572.542  197.463 -241.1482 250.2853 
1 1 1   33   14   17 f  292.518  132.997  -1.2497   2.6633  -0.5869   3.5124  -2.1461   4.0850  355.348  157.825  351.259  161.578 4.089081 225.8674 
1 1 1   33   14   19 o  374.141  153.642   1.2369   2.8852   1.4692   3.9161   0.9610   4.2669  422.243  176.689  422.098  180.831 0.1448059 252.8221 
1 1 1   33   14   21 o  393.059  154.483   1.9630   2.7830   3.3901   3.9586   0.5684   3.9132  476.259  185.078  395.270  171.278 80.98886 252.1704 
1 1 1   33   15    0 o  467.188  168.209   3.1412   3.1420  -2.5518   4.6635   7.8735   4.2519  382.315  174.661  675.702  191.950 -293.3870 259.5211 
1 1 1   33   15    2 o  349.041  149.984   0.0110   2.9512   2.1636   4.2892  -1.9243   4.0670  472.584  189.787  363.703  164.972 108.8803 251.4657 
1 1 1   33   15    4 o  302.538  143.436  -4.0441   3.6443  -4.0441   3.6443   0.0000   0.0000  302.538  143.436  ?   ?  0.000000 143.4363 
1 1 1   33   15    6 o  661.123  175.349   7.5835   3.6894   6.3719   3.9950   14.606   9.6180  610.181  189.337  877.855  295.601 -267.6740 351.0387 
1 1 1   33   15    8 f  283.443  136.519  -5.0625   3.5932  -6.2370   3.9043   1.4396   9.1863  285.367  138.615  599.000  260.979 -313.6339 295.5069 
1 1 1   33   15   10 o  474.925  170.265   3.4058   3.2160   1.7439   4.4750   5.1809   4.6250  462.108  190.737  569.683  204.190 -107.5750 279.4175 
1 1 1   33   15   12 o  512.001  165.958   4.3916   3.0398  -0.0723   4.3887   8.5078   4.2144  412.566  180.051  689.828  189.354 -277.2623 261.2919 
1 1 1   33   15   14 o  323.231  142.725  -0.5173   2.8319  -5.1157   4.1119   3.6320   3.9060  308.538  147.950  497.053  186.067 -188.5148 237.7183 
1 1 1   33   15   16 o  567.022  168.292   5.6717   3.2041   7.7871   4.1161   2.4186   5.1042  654.454  189.786  492.116  203.462 162.3382 278.2366 
1 1 1   33   15   18 o  364.784  148.838   1.1806   2.6858  -0.5098   3.7594   2.9428   3.8384  368.548  163.503  466.267  181.954 -97.71866 244.6238 
1 1 1   33   15   20 o  369.188  164.019  -0.4381   3.7962 -24.1420   8.6623   5.1966   4.2234  336.599  170.074  545.561  195.168 -208.9618 258.8734 
1 1 1   33   16    1 o  349.302  150.775  -0.1042   3.0090   0.4324   4.1917  -0.6748   4.3221  422.585  180.085  402.683  177.129 19.90237 252.5972 
1 1 1   33   16    3 o  376.740  150.403   1.3093   2.6764  -0.2867   3.4373   3.7673   4.2655  367.257  159.831  521.168  194.571 -153.9116 251.8011 
1 1 1   33   16    5 o  649.371  154.721   7.2033   3.1012   9.2286   4.0270   4.2516   4.8616  729.433  177.903  550.678  207.300 178.7545 273.1719 
1 1 1   33   16    7 o  477.812  183.783   2.8834   3.8726   3.5841   4.2030  -1.0543   9.9636  510.801  192.652  585.876  262.621 -75.07504 325.7061 
1 1 1   33   16    9 o  523.912  194.517   3.9900   4.2516   7.5187   4.6769 -12.8064   10.204  655.391  205.105  468.438  226.711 186.9529 305.7220 
1 1 1   33   16   11 o  252.540  124.651  -7.4149   3.5663  -7.4149   3.5663   0.0000   0.0000  252.540  124.651  ?   ?  0.000000 124.6510 
1 1 1   33   16   13 o  393.275  160.193   1.3256   3.1047  -0.3152   4.2808   3.1464   4.5095  402.344  176.646  500.145  196.623 -97.80179 264.3185 
1 1 1   33   16   15 o  348.406  150.440   0.0700   2.9977   3.3342   4.2473  -3.1702   4.2316  495.807  191.975  343.588  160.249 152.2195 250.0685 
1 1 1   33   16   17 o  421.474  159.052   2.4601   2.8659   1.2211   3.9298   3.8675   4.1884  420.798  176.598  508.043  192.145 -87.24536 260.9724 
1 1 1   33   17    0 o  384.344  156.344   1.1182   2.9522   3.4784   4.6184  -0.5127   3.8390  523.755  200.880  383.323  167.813 140.4312 261.7521 
1 1 1   33   17    2 o  272.731  124.900  -1.5487   2.4042   0.5228   3.2290  -4.1259   3.6015  379.140  159.646  299.390  142.133 79.74976 213.7487 
1 1 1   33   17    4 o  578.303  149.746   5.6780   2.7330   4.0045   3.9152   7.2685   3.8169  520.093  187.700  649.365  180.962 -129.2715 260.7271 
1 1 1   33   17    6 f  339.295  140.588   0.6285   2.4447  -0.3720   3.3381   1.7859   3.5904  359.229  156.894  433.066  173.738 -73.83716 234.0954 
1 1 1   33   17    8 o  374.201  157.753   0.5352   3.1589   0.8222   3.2825  -3.0622   11.621  388.862  162.161  602.824  275.522 -213.9617 319.7004 
1 1 1   33   17   10 o  841.183  209.837   12.723   5.5087   20.604   6.2147 -16.1712   11.899  1087.86  189.321  491.495  239.474 596.3668 305.2708 
1 1 1   33   17   12 o  595.460  199.606   6.0194   4.3853   6.0194   4.3853   0.0000   0.0000  595.460  199.606  ?   ?  0.000000 199.6060 
1 1 1   33   17   14 o  389.566  171.218  -0.3738   4.0311  -0.3738   4.0311   0.0000   0.0000  389.566  171.218  ?   ?  0.000000 171.2177 
1 1 1   33   17   16 o  625.601  169.679   6.9377   3.4079   3.3902   4.3692   12.449   5.4458  500.264  194.429  818.738  211.076 -318.4747 286.9772 
1 1 1   33   18    1 o  300.593  137.048  -1.6565   2.8530  -5.2221   4.5528   0.6491   3.6610  335.071  159.286  404.469  170.134 -69.39737 233.0615 
1 1 1   33   18    3 o  266.371  125.651  -2.9002   2.7311  -4.3820   3.7178  -1.1634   4.0251  302.128  143.718  377.663  168.272 -75.53445 221.2922 
1 1 1   33   18    5 o  541.465  158.971   4.9301   2.8721   1.8320   3.9231   8.5089   4.2164  448.808  181.059  700.000  188.268 -251.1920 261.2038 
1 1 1   33   18    7 o  503.811  157.334   4.1931   2.7537   5.9251   3.7713   2.2151   4.0301  591.694  184.018  463.467  184.707 128.2263 260.7284 
1 1 1   33   18    9 o  495.026  162.430   3.9751   2.9083   6.0147   3.7782   1.0093   4.5560  594.047  184.095  449.570  189.486 144.4765 264.1892 
1 1 1   33   18   11 o  728.495  176.773   9.2773   3.9914   9.7745   4.2095   4.8486   12.563  746.259  181.818  716.202  308.616 30.05634 358.1923 
1 1 1   33   18   13 o  352.171  163.061  -2.8884   4.2597  -2.8884   4.2597   0.0000   0.0000  352.171  163.061  ?   ?  0.000000 163.0607 
1 1 1   33   19    0 o  460.321  188.126   1.6392   4.2997   9.8505   9.3117  -0.5860   4.8474  781.082  288.291  429.892  188.376 351.1901 344.3792 
1 1 1   33   19    2 o  285.612  133.929  -2.9081   3.0226  -6.3503   4.3674   0.2564   4.1875  310.826  149.903  418.965  179.304 -108.1391 233.7114 
1 1 1   33   19    4 o  527.062  172.324   4.4919   3.2745   5.7157   4.6014   3.2364   4.6608  596.724  204.443  517.588  200.910 79.13605 286.6389 
1 1 1   33   19    6 o  764.277  170.744   10.017   3.9831   13.708   5.9063   6.9377   5.3945  879.379  216.050  648.032  221.363 231.3463 309.3210 
1 1 1   33   19    8 o  427.371  160.798   2.3618   2.9244   0.5108   3.9586   4.5854   4.3388  412.823  175.444  549.727  197.693 -136.9045 264.3170 
1 1 1   33   19   10 o  388.709  156.384   1.3505   2.9179   8.3235   3.7470  -9.3941   4.6512  692.659  173.212  290.245  143.092 402.4144 224.6727 
1 1 1   33   20    1 o  509.183  203.998   2.5458   4.9426   0.0000   0.0000   2.5458   4.9426  ?   ?   509.183  203.998 0.000000 203.9978 
1 1 1   33   20    3 o  281.231  138.893  -9.4661   4.4502   0.0000   0.0000  -9.4661   4.4502  ?   ?   281.231  138.893 0.000000 138.8925 
1 1 1   33   20    5 o  605.685  184.795   6.1864   3.8243   6.9123   5.5958   5.5502   5.2387  652.029  225.344  603.136  217.196 48.89288 312.9758 
1 1 1   33   20    7 o  528.732  184.125   4.3272   3.7393   3.6768   5.1945   5.0268   5.3872  545.017  211.950  588.740  218.885 -43.72284 304.6858 
1 1 1   33   21    0 o  404.767  181.228  -1.6214   4.7301 -10.7338   7.5339   4.3076   6.0771  405.618  195.931  591.051  229.417 -185.4329 301.6972 
1 1 1   33   21    2 o  557.315  209.339   4.1947   4.9524   6.8924   10.774   3.4720   5.5764  746.536  300.444  554.440  218.432 192.0962 371.4553 
1 1 1   33   21    4 o  343.446  162.762  -5.1341   4.6828 -20.2596   10.897  -1.7078   5.1861  446.192  219.788  422.894  189.524 23.29800 290.2176 
1 1 1   34    0    0 o  486.136  250.799   5.7447   4.8948   5.7447   4.8948   5.7447   4.8948  486.136  250.799  486.136  250.799 -0.000000 0.000000 
1 1 1   34    0    2 o  219.921  153.450  -3.5418   3.8472  -3.5418   3.8472  -3.5418   3.8472  219.921  153.450  219.921  153.450 -0.000000 0.000000 
1 1 1   34    0    6 o  1014.32  162.564   17.655   4.7655   17.655   4.7655   17.655   4.7655  1014.32  162.564  1014.32  162.564 -0.000000 0.000000 
1 1 1   34    0    8 o  205.416  142.368  -2.5443   3.1672  -2.5443   3.1672  -2.5443   3.1672  205.416  142.368  205.416  142.368 -0.000000 0.000000 
1 1 1   34    0   10 o  395.479  207.820   3.7591   3.4075   3.7591   3.4075   3.7591   3.4075  395.479  207.820  395.479  207.820 -0.000000 0.000000 
1 1 1   34    0   12 o  549.500  224.892   6.9219   3.8145   6.9219   3.8145   6.9219   3.8145  549.500  224.892  549.500  224.892 -0.000000 0.000000 
1 1 1   34    0   14 o  778.732  213.520   11.895   4.5017   11.895   4.5017   11.895   4.5017  778.732  213.520  778.732  213.520 -0.000000 0.000000 
1 1 1   34    0   16 o  1229.75  142.420   25.388   5.2925   25.388   5.2925   25.388   5.2925  1229.75  142.420  1229.75  142.420 -0.000000 0.000000 
1 1 1   34    0   18 o  144.507  105.753  -7.3859   3.0138  -7.3859   3.0138  -7.3859   3.0138  144.507  105.753  144.507  105.753 -0.000000 0.000000 
1 1 1   34    0   20 o  832.727  218.210   13.645   4.9162   13.645   4.9162   13.645   4.9162  832.727  218.210  832.727  218.210 -0.000000 0.000000 
1 1 1   34    0   22 o  558.985  257.019   7.9738   4.9313   7.9738   4.9313   7.9738   4.9313  558.985  257.019  558.985  257.019 -0.000000 0.000000 
1 1 1   34    0   24 o  244.602  169.661  -3.1747   4.5205  -3.1747   4.5205  -3.1747   4.5205  244.602  169.661  244.602  169.661 -0.000000 0.000000 
1 1 1   34    0   26 o  507.228  299.009   7.1197   8.1069   7.1197   8.1069   7.1197   8.1069  507.228  299.009  507.228  299.009 -0.000000 0.000000 
1 1 1   34    0   28 o  526.600  306.773   8.1294   8.3625   8.1294   8.3625   8.1294   8.3625  526.600  306.773  526.600  306.773 -0.000000 0.000000 
1 1 1   34    1    1 o  358.952  150.354   0.5145   2.8397   5.3626   3.7725  -5.8243   4.3136  571.827  184.832  314.790  151.104 257.0370 238.7363 
1 1 1   34    1    3 o  1543.67  126.236   38.650   6.0484   0.0000   0.0000   38.650   6.0484  ?   ?   1543.67  126.236 0.000000 126.2359 
1 1 1   34    1    5 o  1647.52  100.890   43.505   5.1796   39.279   8.7285   45.802   6.4352  1523.09  186.943  1681.24  123.096 -158.1459 223.8309 
1 1 1   34    1    7 o  843.836  130.443   11.796   3.3355   16.164   5.6290   9.4330   4.1407  963.829  193.241  736.792  180.826 227.0369 264.6506 
1 1 1   34    1    9 o  342.558  144.545   0.3989   2.6560  -3.3693   4.4293   2.5145   3.3188  353.851  164.671  445.502  170.425 -91.65158 236.9840 
1 1 1   34    1   11 f  813.366  136.574   11.167   3.3550   14.481   5.9840   9.6472   4.0518  886.941  217.198  738.403  177.447 148.5383 280.4682 
1 1 1   34    1   13 o  410.367  154.515   2.3101   2.7012   2.3336   3.9276   2.2889   3.7210  453.269  181.760  444.944  177.432 8.325531 254.0056 
1 1 1   34    1   15 o  337.556  145.865   0.1408   2.8224   9.4794   4.5765  -5.5913   3.5855  709.052  198.350  271.347  132.043 437.7044 238.2814 
1 1 1   34    1   17 o  347.958  146.463   0.7465   2.7161   1.6924   4.1615   0.0445   3.5850  432.781  181.683  368.864  161.808 63.91724 243.2907 
1 1 1   34    1   19 o  420.802  158.521   2.7233   2.8438   1.9007   4.2900   3.3681   3.7983  436.698  183.955  466.346  181.273 -29.64841 258.2628 
1 1 1   34    1   21 o  495.080  161.880   4.5402   2.8896   1.1385   4.5386   6.8591   3.7472  419.743  183.144  590.010  183.418 -170.2662 259.1985 
1 1 1   34    1   23 f  424.284  162.993   2.9488   3.0437   4.8532   4.7515   1.6236   3.9636  509.311  201.319  407.457  174.415 101.8535 266.3641 
1 1 1   34    1   25 o  301.081  137.874  -0.9298   2.9289   1.1450   4.6212  -2.3228   3.7865  407.349  180.970  314.536  148.243 92.81314 233.9365 
1 1 1   34    1   27 o  343.876  153.515   0.3502   3.3676   1.4061   4.7877  -0.6838   4.7378  406.566  182.160  368.487  171.092 38.07922 249.9092 
1 1 1   34    2    0 o  375.935  149.168   1.3334   2.6179   7.0220   3.8973  -3.3437   3.5339  641.792  184.258  309.027  144.879 332.7651 234.3947 
1 1 1   34    2    2 o  1528.12  128.505   37.902   6.0918   0.0000   0.0000   37.902   6.0918  ?   ?   1528.12  128.505 0.000000 128.5053 
1 1 1   34    2    4 o  767.009  144.480   9.8566   3.3427   4.6485   5.5412   12.836   4.1911  582.250  220.816  872.685  159.242 -290.4359 272.2452 
1 1 1   34    2    6 o  681.662  176.330   8.0227   3.7921   10.177   5.3120   5.7843   5.4151  758.741  214.207  610.906  220.703 147.8344 307.5623 
1 1 1   34    2    8 o  704.567  174.054   8.6179   3.8175   5.9015   5.1982   11.798   5.6244  607.527  216.609  810.397  217.223 -202.8707 306.7655 
1 1 1   34    2   10 o  490.046  160.454   3.9441   2.8386  -3.2198   4.7014   8.0538   3.5609  368.135  170.753  679.138  168.302 -311.0037 239.7544 
1 1 1   34    2   12 o  623.390  159.446   6.8185   3.1248   2.1481   5.0746   9.6710   3.9659  487.712  202.356  737.643  174.441 -249.9312 267.1659 
1 1 1   34    2   14 o  553.429  169.834   5.4247   3.2245   2.1436   6.4122   6.5353   3.7306  518.705  221.932  601.319  182.305 -82.61462 287.2086 
1 1 1   34    2   16 o  873.398  141.922   13.265   3.7481   17.284   7.0239   11.665   4.4318  919.688  240.998  793.237  182.255 126.4507 302.1537 
1 1 1   34    2   18 o  416.816  161.870   2.4309   3.0266   5.6716   5.6068   1.0983   3.5954  566.254  220.203  394.534  167.418 171.7202 276.6190 
1 1 1   34    2   20 o  280.310  131.808  -2.3940   2.9623  -6.3229   5.3314  -0.6394   3.5629  336.435  163.089  346.688  156.089 -10.25198 225.7472 
1 1 1   34    2   22 o  353.072  154.685   0.3469   3.2673   4.5379   5.5734  -1.8474   4.0329  515.589  212.842  339.739  157.779 175.8494 264.9453 
1 1 1   34    2   24 f  660.192  176.204   8.8089   3.7104   8.5171   6.2203   8.9702   4.6230  602.146  232.555  639.968  204.375 -37.82184 309.5977 
1 1 1   34    2   26 o  493.627  180.570   4.9914   3.6410  -0.9914   6.1804   8.1716   4.5060  406.790  190.994  598.264  202.325 -191.4737 278.2340 
1 1 1   34    2   28 o  511.008  184.574   5.8510   3.7870   1.8248   6.8939   7.5910   4.5320  442.162  205.659  559.190  201.925 -117.0283 288.2177 
1 1 1   34    3    1 o  911.033  159.618   13.925   4.3874   0.0000   0.0000   13.925   4.3874  ?   ?   911.033  159.618 0.000000 159.6183 
1 1 1   34    3    3 o  987.917  118.416   15.882   3.5901   19.758   5.6787   13.301   4.6336  1082.32  173.416  884.079  173.577 198.2421 245.3612 
1 1 1   34    3    5 o  949.715  162.646   15.209   4.6628   15.297   6.1163   15.088   7.2050  930.849  214.279  911.721  246.482 19.12769 326.6021 
1 1 1   34    3    7 o  896.875  125.294   13.247   3.4226   7.2968   5.8397   16.360   4.2242  662.035  230.122  992.875  139.738 -330.8401 269.2270 
1 1 1   34    3    9 o  515.633  163.354   4.4349   2.9580   4.2264   4.9122   4.5534   3.7050  547.300  207.822  532.243  183.396 15.05664 277.1717 
1 1 1   34    3   11 o  300.948  135.316  -1.0150   2.6672   0.7213   4.3057  -2.0961   3.3977  427.249  182.307  320.155  147.303 107.0942 234.3798 
1 1 1   34    3   13 o  395.435  156.029   1.7873   2.8494   9.9337   4.6475  -3.1191   3.6068  733.736  197.792  310.812  145.923 422.9236 245.7950 
1 1 1   34    3   15 o  634.949  159.429   7.2291   3.1652   5.0730   5.1153   8.5667   4.0291  556.517  211.895  680.269  184.492 -123.7518 280.9572 
1 1 1   34    3   17 o  553.672  171.770   5.6056   3.2883   3.8063   6.4089   6.2486   3.8310  538.837  225.797  579.494  186.150 -40.65631 292.6367 
1 1 1   34    3   19 o  537.401  174.447   5.3668   3.3579   13.923   5.9057   1.2789   4.0820  818.077  223.986  414.560  177.215 403.5170 285.6130 
1 1 1   34    3   21 o  356.467  156.897   0.1793   3.3958  -1.4943   6.1869   0.9010   4.0624  423.176  196.141  399.291  173.766 23.88538 262.0413 
1 1 1   34    3   23 o  464.615  172.912   3.8823   3.3636   4.9385   5.5611   3.2730   4.2238  519.776  213.361  458.203  186.767 61.57294 283.5575 
1 1 1   34    3   25 o  372.532  160.031   1.2308   3.3582   5.4337   5.5157  -1.2448   4.2331  518.187  212.574  350.701  162.441 167.4854 267.5340 
1 1 1   34    3   27 o  584.104  199.654   7.9258   4.3883   2.3909   6.3435   13.005   6.0770  451.919  205.389  699.886  234.971 -247.9672 312.0832 
1 1 1   34    4    0 o  473.334  178.592   2.8726   3.6129   0.0000   0.0000   2.8726   3.6129  ?   ?   473.334  178.592 0.000000 178.5919 
1 1 1   34    4    2 o  560.709  165.443   5.2688   3.1039   1.5459   5.0394   7.5444   3.9400  485.884  201.629  663.504  183.481 -177.6201 272.6165 
1 1 1   34    4    4 o  1044.62  115.133   17.711   3.7034   14.601   5.8596   19.779   4.7789  912.262  209.542  1094.76  142.812 -182.4949 253.5812 
1 1 1   34    4    6 o  579.494  175.066   5.6803   3.4447   8.7631   5.0646   3.0267   4.6989  707.692  211.936  510.720  200.732 196.9719 291.9079 
1 1 1   34    4    8 o  693.595  150.487   8.2057   3.1743   11.758   5.3449   6.2701   3.9456  810.771  209.153  605.055  188.229 205.7153 281.3813 
1 1 1   34    4   10 o  294.272  133.515  -1.3040   2.6662  -2.8266   4.4819  -0.4701   3.3168  363.789  168.024  352.915  155.205 10.87421 228.7368 
1 1 1   34    4   12 o  468.108  166.976   3.4119   3.0892  -2.0407   5.6281   5.7631   3.6957  422.853  192.673  574.020  182.671 -151.1669 265.5026 
1 1 1   34    4   14 f  473.377  163.411   3.6944   2.9422  -1.0933   4.7490   6.6768   3.7482  400.022  180.145  606.752  182.463 -206.7303 256.4075 
1 1 1   34    4   16 o  559.774  174.366   5.6894   3.3846   5.8512   5.7272   5.6026   4.1955  582.118  223.596  558.998  195.013 23.11993 296.6899 
1 1 1   34    4   18 o  566.744  165.459   5.9240   3.1192   5.7010   5.1567   6.0526   3.9169  562.861  213.124  568.339  188.601 -5.478455 284.5916 
1 1 1   34    4   20 o  459.737  162.764   3.6699   2.9301   0.6792   4.2768   6.3156   4.0224  404.566  177.118  570.771  191.170 -166.2043 260.6081 
1 1 1   34    4   22 o  301.789  137.469  -0.9790   2.8623  -3.4626   4.3795   0.8730   3.7818  329.468  156.506  386.517  167.931 -57.04904 229.5535 
1 1 1   34    4   24 o  351.776  152.404   0.7083   3.0972   5.6657   4.4521  -3.9411   4.3116  528.385  198.481  315.921  151.493 212.4639 249.6897 
1 1 1   34    4   26 o  458.088  168.575   4.0427   3.1802   6.8313   4.6437   1.5797   4.3642  551.638  203.589  406.471  178.410 145.1677 270.7008 
1 1 1   34    4   28 o  394.313  164.461   2.3792   3.3771   4.5270   4.4957  -0.4019   5.1159  468.096  191.957  378.937  176.556 89.15897 260.8054 
1 1 1   34    5    1 o  1391.53   91.403   30.885   3.9605   25.504   5.5429   36.498   5.6609  1246.27  144.735  1503.08  121.311 -256.8184 188.8504 
1 1 1   34    5    3 o  747.018  128.384   9.2324   2.8948   6.9004   4.1414   11.460   4.0479  637.023  191.847  822.944  162.854 -185.9210 251.6474 
1 1 1   34    5    5 o  674.929  126.891   7.5797   2.5832   7.2801   4.1725   7.7659   3.2894  650.686  191.771  674.927  158.375 -24.24078 248.7144 
1 1 1   34    5    7 f  1249.45  112.971   25.327   4.3720   22.107   5.6361   30.191   6.9278  1146.00  161.548  1337.90  169.147 -191.9043 233.8981 
1 1 1   34    5    9 o  735.472  127.558   9.0485   2.8311   10.927   4.4284   7.7498   3.6818  787.773  183.018  665.383  174.542 122.3899 252.9045 
1 1 1   34    5   11 o  530.131  158.381   4.8361   2.8309   6.5834   4.4424   3.6413   3.6734  612.474  200.737  492.534  181.188 119.9393 270.4156 
1 1 1   34    5   13 o  737.274  143.206   9.3912   3.1869   7.5510   4.8221   10.818   4.2464  642.089  209.079  774.709  178.695 -132.6202 275.0381 
1 1 1   34    5   15 o  816.851  129.612   11.397   3.2044   15.229   4.5655   7.6764   4.4988  925.983  163.433  639.745  201.317 286.2377 259.3045 
1 1 1   34    5   17 o  411.127  153.523   2.5165   2.6559   4.2556   3.6752   0.6155   3.8425  501.204  181.708  393.942  170.212 107.2614 248.9779 
1 1 1   34    5   19 o  554.997  161.801   5.6960   2.9846   3.3263   4.2506   8.0006   4.1918  475.412  189.622  639.819  193.083 -164.4069 270.6241 
1 1 1   34    5   21 o  850.511  125.959   12.643   3.2531   13.990   4.6140   11.311   4.5871  853.529  178.387  751.729  193.678 101.8004 263.3122 
1 1 1   34    5   23 o  490.830  165.142   4.5519   3.0018   1.8088   4.4247   6.8912   4.0860  426.218  183.407  579.624  192.642 -153.4060 265.9871 
1 1 1   34    5   25 o  327.452  151.523  -1.3433   3.6699  -1.6358   6.3620  -1.1974   4.4928  409.850  192.860  361.541  167.421 48.30942 255.3915 
1 1 1   34    5   27 o  883.073  145.348   14.876   3.8792   9.7350   5.5830   19.675   5.3939  617.722  223.957  967.317  184.818 -349.5946 290.3693 
1 1 1   34    6    0 o  373.051  146.098   1.4260   2.4814  -2.5314   3.9995   3.9028   3.1640  350.108  160.615  500.915  169.539 -150.8064 233.5395 
1 1 1   34    6    2 o  637.165  143.249   6.8322   2.7885   6.1474   4.0474   7.4509   3.8474  606.789  190.949  659.792  180.846 -53.00256 262.9963 
1 1 1   34    6    4 o  321.463  136.019   0.2329   2.3624   2.4491   3.5761  -1.4830   3.1467  455.998  176.268  322.501  145.806 133.4972 228.7568 
1 1 1   34    6    6 o  548.950  149.947   5.1086   2.6503   0.3712   4.1918   8.2636   3.4209  419.708  179.504  694.759  160.482 -275.0515 240.7828 
1 1 1   34    6    8 o  368.007  152.469   0.8238   2.8750  -0.0984   3.9688   1.8421   4.1704  395.984  172.038  455.216  185.571 -59.23132 253.0485 
1 1 1   34    6   10 o  283.874  128.291  -1.0978   2.4334  -5.6630   3.8739   1.8772   3.1273  289.678  140.069  413.119  163.316 -123.4408 215.1545 
1 1 1   34    6   12 o  405.782  152.483   2.2499   2.6281   1.7592   4.2150   2.5621   3.3616  447.419  184.929  442.722  170.966 4.696747 251.8494 
1 1 1   34    6   14 o  757.917  133.740   9.8496   3.0579   7.7041   4.6661   11.465   4.0485  643.687  205.300  801.472  166.749 -157.7854 264.4871 
1 1 1   34    6   16 o  456.563  157.058   3.4836   2.7167   2.6367   4.3244   4.0359   3.4918  466.164  189.379  492.574  177.330 -26.41013 259.4418 
1 1 1   34    6   18 o  569.375  159.251   5.9310   2.9503   6.9281   4.6748   5.2709   3.8035  600.719  206.059  538.271  185.797 62.44794 277.4549 
1 1 1   34    6   20 o  303.808  136.642  -0.6961   2.7221   3.2224   3.8598  -4.5739   3.8396  461.117  181.708  292.990  141.118 168.1278 230.0697 
1 1 1   34    6   22 o  670.262  157.612   8.4465   3.2523   8.4411   4.6193   8.4519   4.5799  636.536  204.400  637.601  203.399 -1.065247 288.3582 
1 1 1   34    6   24 o  306.322  139.488  -0.8558   2.9439   5.0931   4.1129  -7.1052   4.2155  510.625  190.975  275.868  136.047 234.7571 234.4786 
1 1 1   34    6   26 o  310.366  141.673  -0.7478   3.0603  -2.8957   4.8661   0.6574   3.9361  346.113  164.577  375.276  166.855 -29.16354 234.3633 
1 1 1   34    7    1 o  552.998  161.043   5.1176   2.9582   2.6427   5.1705   6.3219   3.6068  519.004  208.395  611.366  177.762 -92.36188 273.9120 
1 1 1   34    7    3 o  1175.58  101.320   22.205   3.6932   24.750   5.1129   19.428   5.3404  1229.93  134.981  1077.07  163.484 152.8535 212.0066 
1 1 1   34    7    5 o  465.903  156.761   3.4060   2.7049   3.1781   3.7023   3.6668   3.9613  484.510  181.194  509.159  188.013 -24.64886 261.1134 
1 1 1   34    7    7 o  609.757  158.483   6.3920   3.0538   4.6055   4.2178   8.3603   4.4271  545.398  195.046  689.113  195.904 -143.7151 276.4441 
1 1 1   34    7    9 o  814.471  152.858   11.347   3.7552   10.081   4.5105   14.206   6.7786  751.618  191.199  869.453  240.755 -117.8353 307.4407 
1 1 1   34    7   11 o  963.375  113.601   15.310   3.3609   13.627   4.8144   16.910   4.6941  875.257  181.616  992.020  156.290 -116.7625 239.6058 
1 1 1   34    7   13 o  620.357  146.237   6.7294   2.7943   7.1492   4.0482   6.3473   3.8617  627.060  189.863  594.738  186.416 32.32178 266.0800 
1 1 1   34    7   15 o  172.299   87.284  -8.3043   2.3926  -1.8551   4.1488 -11.5178   2.9286  357.787  163.934  ?   ?  0.000000 163.9343 
1 1 1   34    7   17 o  610.680  157.081   6.7566   3.0208   5.9068   4.7727   7.3246   3.9018  571.058  207.062  624.020  185.829 -52.96155 278.2214 
1 1 1   34    7   19 o  309.680  136.824  -0.2776   2.6064  -4.1130   4.5013   1.6569   3.1969  331.799  157.920  394.933  161.902 -63.13428 226.1659 
1 1 1   34    7   21 o  676.176  153.672   8.4411   3.1798   9.7085   4.7572   7.4176   4.2753  687.786  205.273  608.996  196.755 78.79041 284.3405 
1 1 1   34    7   23 o  384.461  153.634   1.9843   2.7955   1.8237   4.0310   2.1331   3.8802  417.152  177.156  421.183  176.030 -4.030640 249.7418 
1 1 1   34    7   25 o  275.789  127.288  -1.2485   2.5653  -0.5172   4.1103  -1.7151   3.2833  361.269  164.629  303.809  141.515 57.45999 217.0926 
1 1 1   34    8    0 o  389.014  155.380   1.3620   2.8579   2.5567   3.5270  -0.9222   4.8767  459.477  175.708  424.640  187.409 34.83630 256.8959 
1 1 1   34    8    2 o  239.774  114.549  -3.1561   2.4152  -4.5798   4.5308  -2.5909   2.8547  343.320  161.916  280.844  131.197 62.47699 208.3975 
1 1 1   34    8    4 f  510.070  157.108   4.3061   2.7565   4.5078   3.8339   4.0902   3.9661  537.208  186.474  524.688  188.978 12.51996 265.4902 
1 1 1   34    8    6 o  648.787  152.907   7.2005   3.0555   13.398   4.2436   0.5289   4.4030  888.566  158.324  431.569  184.258 456.9967 242.9354 
1 1 1   34    8    8 o  586.392  159.661   5.9383   3.0105   9.2697   4.2106   2.4541   4.3060  724.071  185.026  476.262  190.550 247.8091 265.6010 
1 1 1   34    8   10 o  709.195  151.140   8.6898   3.2537   6.2168   4.6321   11.098   4.5712  601.175  205.127  786.865  188.086 -185.6891 278.3051 
1 1 1   34    8   12 o  696.949  148.763   8.4466   3.1476   4.9604   4.3709   12.202   4.5366  549.299  198.311  824.466  180.713 -275.1676 268.2991 
1 1 1   34    8   14 o  487.103  166.689   3.9737   3.0588   7.7083   3.8098  -2.8004   5.1311  649.608  180.710  386.132  178.848 263.4759 254.2494 
1 1 1   34    8   16 o  503.125  169.816   4.3904   3.1742   6.0755   4.0559   1.7267   5.0993  576.783  191.941  466.553  198.721 110.2299 276.2808 
1 1 1   34    8   18 o  401.280  166.846   1.4763   3.4603   0.1688   4.3855   3.6329   5.6324  403.439  177.903  517.674  213.855 -114.2350 278.1786 
1 1 1   34    8   20 o  601.182  178.720   6.9085   3.6113   4.8355   4.9638   9.2396   5.2637  529.893  206.878  669.071  218.471 -139.1777 300.8795 
1 1 1   34    8   22 o  475.738  173.502   4.0112   3.3580   3.5743   4.9050   4.3965   4.6067  486.893  200.182  504.552  198.612 -17.65894 281.9921 
1 1 1   34    8   24 o  399.669  159.755   2.2761   3.0236   5.7383   4.5800  -0.3984   4.0255  535.105  201.253  364.095  164.734 171.0098 260.0771 
1 1 1   34    8   26 o  215.836  106.705  -5.0988   2.6505 -11.1857   4.0151  -0.3974   3.5286  230.857  116.543  339.053  153.743 -108.1962 192.9223 
1 1 1   34    9    1 f  1162.77  150.838   22.355   5.3625   22.355   5.3625   0.0000   0.0000  1162.77  150.838  ?   ?  0.000000 150.8378 
1 1 1   34    9    3 o  424.348  168.741   1.7800   3.3567   7.4434   5.0102  -2.8324   4.5215  661.318  212.926  369.944  170.105 291.3744 272.5314 
1 1 1   34    9    5 o  365.141  151.741   0.7288   2.8600   0.7967   3.8740   0.6473   4.2400  415.877  174.977  427.910  181.707 -12.03302 252.2588 
1 1 1   34    9    7 o  480.633  166.969   3.6071   3.0741   4.1205   4.1617   2.9907   4.5604  525.672  192.934  500.820  197.461 24.85178 276.0694 
1 1 1   34    9    9 o  443.690  164.206   2.7941   3.0250   3.2223   4.1861   2.3261   4.3763  493.547  190.731  472.745  191.052 20.80289 269.9613 
1 1 1   34    9   11 o  750.094  160.131   9.8440   3.6466   12.410   4.5499   5.2353   6.0974  834.542  179.450  589.828  229.562 244.7136 291.3780 
1 1 1   34    9   13 o  493.978  177.638   3.9068   3.5031   7.6155   4.3538  -2.9024   5.8994  644.424  197.276  416.528  192.519 227.8955 275.6469 
1 1 1   34    9   15 o  364.532  157.936   0.2021   3.3264  -1.2365   4.0732   3.0827   5.7636  366.522  165.781  518.545  215.444 -152.0229 271.8446 
1 1 1   34    9   17 o  487.515  172.658   4.0137   3.2974   4.8884   3.9609   2.0390   5.9515  529.624  189.056  494.526  212.756 35.09769 284.6179 
1 1 1   34    9   19 o  573.436  179.456   6.1627   3.5803   2.4203   4.2876   14.783   6.5075  453.120  186.829  836.766  237.386 -383.6464 302.0885 
1 1 1   34    9   21 o  410.447  172.227   1.6448   3.7368  -4.3122   4.9075   9.8640   5.7645  343.935  164.025  679.363  228.845 -335.4280 281.5570 
1 1 1   34    9   23 o  689.206  192.387   9.6590   4.3103   11.956   5.6310   6.4087   6.6983  736.756  224.113  570.163  234.118 166.5924 324.0952 
1 1 1   34    9   25 o  648.266  193.774   8.8973   4.2367   6.7573   5.4513   12.162   6.7328  560.000  217.307  694.487  246.636 -134.4880 328.7120 
1 1 1   34   10    0 o  400.409  169.258   0.5069   3.6523   0.5069   3.6523   0.0000   0.0000  400.409  169.258  ?   ?  0.000000 169.2583 
1 1 1   34   10    2 o  487.598  190.328   2.7628   4.2007   2.7628   4.2007   0.0000   0.0000  487.598  190.328  ?   ?  0.000000 190.3280 
1 1 1   34   10    4 o  552.328  214.919   3.8943   5.3434   3.8943   5.3434   0.0000   0.0000  552.328  214.919  ?   ?  0.000000 214.9191 
1 1 1   34   10    6 o  432.366  160.365   2.5638   2.8883   6.0012   3.8320  -1.9575   4.3948  592.244  185.707  376.872  171.156 215.3713 252.5500 
1 1 1   34   10    8 o  753.641  146.230   9.6892   3.3263   6.0744   4.2653   15.300   5.3140  595.509  196.769  930.425  188.850 -334.9161 272.7315 
1 1 1   34   10   10 o  273.328  128.177  -2.5291   2.7692  -2.9144   3.8961  -2.1356   3.9367  331.426  154.305  347.622  159.429 -16.19598 221.8724 
1 1 1   34   10   12 o  243.896  117.168  -3.5102   2.6052  -0.4110   3.5832  -6.9854   3.7944  364.769  160.832  267.918  131.520 96.85101 207.7611 
1 1 1   34   10   14 f  394.063  155.651   1.8033   2.8384   1.1521   3.9236   2.5183   4.1112  416.957  175.798  461.774  185.680 -44.81696 255.6988 
1 1 1   34   10   16 o  343.407  148.387   0.1885   2.9207  -0.9741   3.7974   1.8723   4.5700  358.194  161.219  454.785  190.628 -96.59140 249.6608 
1 1 1   34   10   18 o  572.089  161.426   5.9610   3.0176   4.8433   4.3506   6.9972   4.1890  531.102  196.852  608.067  194.583 -76.96490 276.7908 
1 1 1   34   10   20 o  426.474  161.173   2.7773   2.9455  -0.7128   3.8720   7.5716   4.5382  361.526  162.749  620.686  202.864 -259.1601 260.0792 
1 1 1   34   10   22 o  373.249  157.501   1.1284   3.1536  -1.0966   4.2580   3.8320   4.6936  366.109  167.115  492.462  198.264 -126.3531 259.2995 
1 1 1   34   10   24 o  411.553  171.034   2.0608   3.6337   2.7439   5.0696   1.3391   5.2110  463.519  197.802  437.272  193.317 26.24759 276.5806 
1 1 1   34   11    1 o  583.969  201.607   5.4419   4.4785   5.4419   4.4785   0.0000   0.0000  583.969  201.607  ?   ?  0.000000 201.6075 
1 1 1   34   11    3 o  451.239  182.074   1.8917   3.9679   1.8917   3.9679   0.0000   0.0000  451.239  182.074  ?   ?  0.000000 182.0738 
1 1 1   34   11    5 o  518.165  193.715   3.8076   4.2309   5.2857   5.3597   1.3633   6.8921  589.985  218.527  536.567  229.845 53.41821 317.1481 
1 1 1   34   11    7 o  716.296  145.572   8.7505   3.1537   7.8024   4.2363   9.9291   4.7233  664.056  192.529  744.475  198.855 -80.41895 276.7862 
1 1 1   34   11    9 o  731.713  138.804   9.1045   3.0639   8.1752   4.3424   10.026   4.3237  675.208  194.681  749.478  185.288 -74.27039 268.7604 
1 1 1   34   11   11 f  567.093  166.528   5.6298   3.1514   5.3992   3.9641   6.0257   5.1951  561.963  189.770  598.420  216.178 -36.45795 287.6553 
1 1 1   34   11   13 o  380.266  152.276   1.4919   2.7526  -0.8907   3.9683   3.7016   3.8215  371.645  166.225  493.949  184.212 -122.3045 248.1224 
1 1 1   34   11   15 o  401.364  160.819   1.7717   3.0721   4.1039   4.4424  -0.3659   4.2530  517.103  197.327  393.201  174.198 123.9024 263.2166 
1 1 1   34   11   17 o  488.762  167.295   4.0852   3.0811   4.1844   4.3054   3.9811   4.4113  512.594  194.582  508.216  195.963 4.377960 276.1588 
1 1 1   34   11   19 o  315.708  138.811  -0.1992   2.6519  -1.8648   3.8324   1.3310   3.6733  338.992  156.145  405.199  170.429 -66.20776 231.1433 
1 1 1   34   11   21 o  550.852  169.153   5.6682   3.1981   0.2049   4.5697   10.913   4.4774  406.594  180.329  748.015  190.610 -341.4206 262.3940 
1 1 1   34   11   23 o  588.953  165.885   6.6312   3.1896   3.8567   4.6175   9.1631   4.4111  488.912  196.716  670.242  197.076 -181.3305 278.4529 
1 1 1   34   12    0 o  618.570  155.439   6.5149   3.0070   11.225   4.5606   2.8920   3.9996  805.206  184.799  484.848  186.695 320.3576 262.6890 
1 1 1   34   12    2 o  571.668  187.716   5.4043   3.8840   6.1482   4.5903   3.5293   7.2875  608.776  204.217  594.943  244.234 13.83252 318.3627 
1 1 1   34   12    4 o  576.141  188.094   5.5577   3.9018   12.732   4.5916 -13.0860   7.4015  857.522  176.874  374.450  183.791 483.0719 255.0752 
1 1 1   34   12    6 o  565.684  180.789   5.4223   3.6170   8.4077   4.1159  -4.7028   7.5799  690.411  186.144  463.231  215.522 227.1797 284.7791 
1 1 1   34   12    8 o  706.763  148.600   8.5707   3.1842   7.1484   3.9865   11.078   5.2926  636.541  187.402  779.532  211.466 -142.9911 282.5549 
1 1 1   34   12   10 o  355.122  145.412   0.9642   2.5751   1.2618   3.5072   0.6160   3.7930  408.043  168.674  402.389  171.389 5.653473 240.4685 
1 1 1   34   12   12 o  515.020  168.382   4.5053   3.1264   2.2564   3.9563   8.2450   5.1019  452.799  182.121  670.123  214.773 -217.3240 281.5948 
1 1 1   34   12   14 o  520.278  165.314   4.6945   3.0277   7.2945   4.2120   1.9148   4.3552  631.932  194.134  453.854  187.816 178.0771 270.1165 
1 1 1   34   12   16 o  260.129  122.279  -2.3441   2.5460  -2.8130   3.6492  -1.8993   3.5538  316.258  147.935  328.156  150.860 -11.89828 211.2902 
1 1 1   34   12   18 o  462.297  163.455   3.5310   2.9541   3.5909   4.3520   3.4798   4.0228  493.856  193.461  483.026  186.888 10.82993 268.9876 
1 1 1   34   12   20 f  569.443  167.582   5.9942   3.1884   10.483   4.6025   1.8524   4.4210  734.140  196.382  442.760  186.639 291.3803 270.9242 
1 1 1   34   12   22 o  470.731  165.825   3.8926   3.0377   0.1581   4.5794   6.8270   4.0593  404.181  179.829  590.775  191.805 -186.5939 262.9207 
1 1 1   34   13    1 o  401.572  157.799   1.7082   2.9032   0.1445   4.3569   2.9569   3.8936  421.574  181.702  482.424  184.583 -60.85028 259.0101 
1 1 1   34   13    3 o  431.459  176.723   1.4682   3.8048  -2.5937   4.3092   15.834   8.1041  362.010  166.312  917.461  266.372 -555.4504 314.0280 
1 1 1   34   13    5 o  804.450  168.501   11.179   4.1085   8.2389   4.6266   22.145   8.9344  682.857  202.128  1080.27  265.917 -397.4150 334.0173 
1 1 1   34   13    7 o  902.762  143.635   13.731   3.9242   12.728   4.3455   18.167   9.1358  857.953  167.767  960.041  283.996 -102.0888 329.8480 
1 1 1   34   13    9 o  391.747  166.042   0.6231   3.5300  -2.4329   3.8496   16.767   8.8480  338.548  156.140  917.188  281.306 -578.6399 321.7338 
1 1 1   34   13   11 o  359.670  150.520   0.7059   2.8423  -0.5772   3.7442   2.4509   4.3665  370.294  163.778  473.734  191.053 -103.4392 251.6433 
1 1 1   34   13   13 o  482.456  167.501   3.7783   3.0935   0.5873   3.9231   9.0243   5.0302  404.884  173.422  696.982  211.776 -292.0983 273.7230 
1 1 1   34   13   15 o  678.727  157.429   8.1567   3.2809   13.309   4.4733   2.1584   4.8267  863.767  171.441  474.629  197.174 389.1382 261.2845 
1 1 1   34   13   17 o  631.255  156.078   7.1212   3.0677   7.2789   4.0752   6.9151   4.6600  626.534  190.671  611.607  205.759 14.92792 280.5215 
1 1 1   34   13   19 o  570.553  161.655   5.9148   3.0197   7.6350   4.2427   4.1487   4.2990  633.714  194.867  508.734  194.120 124.9793 275.0563 
1 1 1   34   14    0 o  442.965  165.667   2.5988   3.0950   4.6809   4.6208   0.9046   4.1682  559.432  203.604  432.447  181.701 126.9852 272.8913 
1 1 1   34   14    2 o  396.820  159.920   1.3886   3.0570  -1.4067   4.6269   3.5543   4.0725  399.902  179.132  507.106  189.961 -107.2043 261.1001 
1 1 1   34   14    4 o  496.611  163.496   4.0032   2.9457   1.7401   4.0852   6.4543   4.2515  450.007  183.581  614.443  195.967 -164.4356 268.5240 
1 1 1   34   14    6 o  492.908  184.165   3.4180   3.8230   5.6491   4.1979  -7.4248   9.2542  581.488  195.293  487.551  230.383 93.93695 302.0192 
1 1 1   34   14    8 o  793.986  160.774   10.877   3.8600   9.8268   4.2163   16.312   9.5941  745.651  182.147  904.778  294.926 -159.1270 346.6400 
1 1 1   34   14   10 o  578.635  189.013   5.7564   3.9398   6.3327   4.3021   2.7609   9.8086  603.662  197.529  622.821  270.523 -19.15924 334.9629 
1 1 1   34   14   12 o  359.068  149.793   0.7554   2.8024   0.1942   3.8203   1.4092   4.1233  392.052  169.558  436.066  181.788 -44.01373 248.5895 
1 1 1   34   14   14 o  387.134  158.743   1.2650   3.0742   2.6207   4.2491  -0.2241   4.4533  471.936  189.120  407.898  179.601 64.03830 260.8127 
1 1 1   34   14   16 o  379.123  155.023   1.2797   2.9216  -3.6573   3.9081   7.5344   4.3988  316.712  149.674  638.892  198.746 -322.1803 248.8016 
1 1 1   34   14   18 o  237.090  114.254  -3.5049   2.5251   0.5629   3.2500  -9.6995   4.0107  369.861  158.118  250.525  125.073 119.3356 201.6049 
1 1 1   34   15    1 o  568.733  166.752   5.4884   3.1621   5.9714   4.5237   5.0268   4.4218  601.768  202.725  566.601  200.017 35.16681 284.7881 
1 1 1   34   15    3 o  590.593  162.858   5.9750   3.1091   5.7723   4.3449   6.1877   4.4510  590.845  198.680  607.430  201.022 -16.58521 282.6374 
1 1 1   34   15    5 o  976.641  129.921   15.772   3.8746   10.998   4.9261   23.518   6.2742  786.833  199.623  1172.64  176.333 -385.8035 266.3508 
1 1 1   34   15    7 o  343.200  158.093  -2.4869   3.9294  -5.7254   4.3091   13.499   9.5738  312.917  150.419  841.353  294.525 -528.4359 330.7130 
1 1 1   34   15    9 o  377.063  164.375  -0.1850   3.6487  -0.5096   3.9155   1.9565   10.057  382.252  168.354  620.706  271.675 -238.4538 319.6101 
1 1 1   34   15   11 o  361.830  161.058  -0.8435   3.6776  -1.2235   3.9169   1.9857   10.687  365.476  164.185  628.854  277.488 -263.3783 322.4228 
1 1 1   34   15   13 o  487.482  184.724   3.3855   3.8758   2.4590   4.1441   9.8536   10.950  466.121  186.777  748.877  302.356 -282.7564 355.3940 
1 1 1   34   15   15 o  302.010  138.180  -1.5855   2.9332  -6.4408   4.0753   3.6334   4.2251  288.578  140.504  501.636  192.198 -213.0587 238.0790 
1 1 1   34   15   17 o  464.267  168.561   3.3811   3.1643   3.9783   4.0726   2.4714   5.0266  505.792  189.865  486.605  201.605 19.18701 276.9353 
1 1 1   34   16    0 o  419.286  167.319   1.6991   3.3111   8.0636   4.8711  -3.7674   4.5144  681.922  208.652  353.697  165.149 328.2253 266.1010 
1 1 1   34   16    2 o  542.962  162.807   4.9613   2.9873   4.1825   3.8784   6.0973   4.6842  524.873  187.107  608.289  206.283 -83.41602 278.4990 
1 1 1   34   16    4 o  288.002  133.276  -2.1383   2.8399  -0.6309   3.8640  -3.9092   4.1880  379.615  167.215  333.834  156.895 45.78033 229.2965 
1 1 1   34   16    6 o  487.402  168.094   3.7236   3.1129   8.9799   4.3527  -1.7795   4.4536  713.867  190.985  383.484  173.411 330.3839 257.9664 
1 1 1   34   16    8 o  459.046  168.837   3.0042   3.1894   2.1812   4.6598   3.7296   4.3748  481.348  196.182  517.972  196.260 -36.62399 277.4981 
1 1 1   34   16   10 o  1051.69  155.630   18.777   4.9703   15.492   5.3949   37.217   12.782  935.879  190.574  1358.43  307.634 -422.5540 361.8794 
1 1 1   34   16   12 o  355.168  158.755  -0.9923   3.6136   2.1737   3.8074 -29.7316   11.471  447.945  179.193  399.974  201.295 47.97144 269.4993 
1 1 1   34   16   14 o  957.161  172.300   16.080   4.9741   15.825   5.4291   17.413   12.413  938.065  191.315  891.408  332.085 46.65747 383.2516 
1 1 1   34   17    1 f  429.210  160.799   2.4018   2.9183  -3.2700   4.6488   6.0906   3.7490  368.491  170.521  599.388  182.986 -230.8967 250.1230 
1 1 1   34   17    3 o  317.422  137.518  -0.1834   2.5216  -0.5147   3.4776   0.1840   3.6618  363.278  159.361  390.393  167.391 -27.11478 231.1180 
1 1 1   34   17    5 o  590.249  158.975   5.9614   3.0039   5.3214   4.0033   6.7862   4.5443  569.288  190.713  630.624  202.759 -61.33588 278.3575 
1 1 1   34   17    7 o  217.510  106.979  -5.1331   2.5487  -8.4775   3.2325   0.3627   4.1437  223.429  111.655  415.793  178.167 -192.3646 210.2629 
1 1 1   34   17    9 o  508.513  175.483   4.1133   3.3928   3.9475   4.9139   4.2644   4.6902  538.624  207.059  542.797  203.755 -4.173279 290.4987 
1 1 1   34   17   11 o  594.580  182.398   6.1365   3.7196   3.9255   4.9017   9.1384   5.7114  535.329  206.526  710.428  227.192 -175.0994 307.0330 
1 1 1   34   17   13 o  466.125  189.290   2.1980   4.3184   2.1980   4.3184   0.0000   0.0000  466.125  189.290  ?   ?  0.000000 189.2898 
1 1 1   34   18    0 o  494.899  184.478   3.3304   3.8316 -14.0746   9.2243   6.9596   4.2122  434.220  211.409  638.694  193.732 -204.4741 286.7508 
1 1 1   34   18    2 o  661.853  191.206   7.5588   4.1850   2.2376   9.9143   8.7126   4.6165  639.615  274.874  707.109  199.712 -67.49341 339.7651 
1 1 1   34   18    4 o  698.207  146.998   8.2467   3.1121   12.360   4.3294   3.8493   4.4767  850.722  168.488  529.053  198.971 321.6686 260.7250 
1 1 1   34   18    6 o  639.571  164.201   7.0346   3.3052   11.387   4.5813   2.3105   4.7731  808.422  184.987  491.902  199.268 316.5203 271.8971 
1 1 1   34   18    8 o  191.444   95.302  -5.6103   2.2599  -6.1296   3.1148  -5.0331   3.2839  241.408  118.639  265.995  128.704 -24.58733 175.0425 
1 1 1   34   18   10 o  309.305  135.870  -0.4452   2.5356  -3.5238   3.5953   2.6010   3.5764  306.815  144.558  456.856  176.367 -150.0406 228.0400 
1 1 1   34   19    1 o  533.036  197.722   3.9756   4.3909   0.0000   0.0000   3.9756   4.3909  ?   ?   533.036  197.722 0.000000 197.7224 
1 1 1   34   19    3 o  557.460  196.385   4.8033   4.2605   0.0000   0.0000   4.8033   4.2605  ?   ?   557.460  196.385 0.000000 196.3854 
1 1 1   34   19    5 o  718.920  213.139   9.0657   5.1415   0.0000   0.0000   9.0657   5.1415  ?   ?   718.920  213.139 0.000000 213.1394 
1 1 1   34   19    7 o  380.187  155.597   1.0459   2.9466   2.3652   4.3365  -0.0857   4.0161  478.513  191.303  400.249  173.475 78.26352 258.2446 
1 1 1   34   20    0 o  620.589  191.081   6.4822   4.0779  -1.9577   5.7325   15.129   5.8023  441.524  198.463  933.336  204.215 -491.8127 284.7654 
1 1 1   34   20    2 o  681.395  224.573   7.8224   5.5571   0.0000   0.0000   7.8224   5.5571  ?   ?   681.395  224.573 0.000000 224.5733 
1 1 1   34   20    4 o  471.661  192.815   1.7990   4.5183  -3.3676   10.907   2.8693   4.9643  590.306  268.681  516.283  205.237 74.02283 338.1004 
1 1 1   35    0    1 o  265.029  179.159  -1.8582   4.3626  -1.8582   4.3626  -1.8582   4.3626  265.029  179.159  265.029  179.159 -0.000000 0.000000 
1 1 1   35    0    5 o  955.464  247.097   17.574   6.3890   17.574   6.3890   17.574   6.3890  955.464  247.097  955.464  247.097 -0.000000 0.000000 
1 1 1   35    0    7 o  900.077  271.181   16.556   6.6636   16.556   6.6636   16.556   6.6636  900.077  271.181  900.077  271.181 -0.000000 0.000000 
1 1 1   35    0    9 o  1161.82  217.360   24.320   7.0966   24.320   7.0966   24.320   7.0966  1161.82  217.360  1161.82  217.360 -0.000000 0.000000 
1 1 1   35    0   11 o  492.135  269.512   6.1390   5.9476   6.1390   5.9476   6.1390   5.9476  492.135  269.512  492.135  269.512 -0.000000 0.000000 
1 1 1   35    0   13 o  339.076  212.639   1.5073   4.6867   1.5073   4.6867   1.5073   4.6867  339.076  212.639  339.076  212.639 -0.000000 0.000000 
1 1 1   35    0   15 o  712.484  280.498   12.000   6.0074   12.000   6.0074   12.000   6.0074  712.484  280.498  712.484  280.498 -0.000000 0.000000 
1 1 1   35    0   17 o  422.443  245.650   4.2583   5.3472   4.2583   5.3472   4.2583   5.3472  422.443  245.650  422.443  245.650 -0.000000 0.000000 
1 1 1   35    0   19 o  766.884  281.613   13.630   6.2495   13.630   6.2495   13.630   6.2495  766.884  281.613  766.884  281.613 -0.000000 0.000000 
1 1 1   35    0   21 o  362.389  232.732   1.4111   6.0177   1.4111   6.0177   1.4111   6.0177  362.389  232.732  362.389  232.732 -0.000000 0.000000 
1 1 1   35    0   23 o  1056.33  280.626   23.237   8.0199   23.237   8.0199   23.237   8.0199  1056.33  280.626  1056.33  280.626 -0.000000 0.000000 
1 1 1   35    0   25 f  455.009  262.772   5.4837   6.0539   5.4837   6.0539   5.4837   6.0539  455.009  262.772  455.009  262.772 -0.000000 0.000000 
1 1 1   35    1    0 o  280.901  129.728  -1.9982   2.6708  -5.6708   3.4964   3.1474   4.1385  271.176  131.596  498.719  190.424 -227.5428 231.4715 
1 1 1   35    1    2 o  411.825  181.460  -0.7373   4.5539   0.0000   0.0000  -0.7373   4.5539  ?   ?   411.825  181.460 0.000000 181.4599 
1 1 1   35    1    4 o  629.684  216.709   6.5314   5.1725   6.5314   5.1725   0.0000   0.0000  629.684  216.709  ?   ?  0.000000 216.7089 
1 1 1   35    1    6 o  1296.18  130.932   27.634   5.2412   24.206   7.3820   31.118   7.4427  1170.49  209.086  1348.42  180.830 -177.9260 276.4349 
1 1 1   35    1    8 o  732.496  174.148   9.4336   3.9357   8.3762   5.5343   10.516   5.5982  683.984  224.049  756.861  221.865 -72.87653 315.3127 
1 1 1   35    1   10 o  375.826  162.978   0.0654   3.5486   8.3687   4.7302 -10.6234   5.3669  676.917  205.295  308.547  152.410 368.3699 255.6849 
1 1 1   35    1   12 o  380.496  163.939   0.3654   3.5442  -8.5599   5.1715   8.2700   4.8668  316.794  155.106  665.260  209.396 -348.4663 260.5854 
1 1 1   35    1   14 o  259.887  127.667  -6.5400   3.5949  -4.5192   5.2050  -8.3832   4.9710  361.527  171.408  307.342  150.806 54.18518 228.3051 
1 1 1   35    1   16 o  1344.04  150.492   31.749   6.2248   25.814   9.1534   36.854   8.4903  1082.93  270.682  1394.36  200.202 -311.4313 336.6745 
1 1 1   35    1   18 o  458.077  169.937   3.4697   3.2437   1.1626   5.6887   4.5812   3.9485  459.198  202.548  508.934  187.751 -49.73654 276.1819 
1 1 1   35    1   20 o  684.687  170.283   9.0092   3.6355   3.5544   6.3783   11.634   4.4246  511.030  220.053  767.418  186.058 -256.3877 288.1684 
1 1 1   35    1   22 o  319.233  145.747  -0.9627   3.2407  -0.8083   5.1159  -1.0661   4.1882  393.994  181.082  357.517  164.141 36.47778 244.4034 
1 1 1   35    1   24 f  750.758  171.836   11.309   3.9523   2.2729   6.7744   15.972   4.8663  471.086  213.371  886.017  181.506 -414.9307 280.1278 
1 1 1   35    1   26 o  493.622  198.465   5.1894   4.6963   7.8176   6.8520   2.8610   6.4495  551.231  232.358  460.449  208.405 90.78174 312.1259 
1 1 1   35    2    1 o  941.193  160.325   14.897   4.5556   21.161   7.1356   10.587   5.9188  1099.77  214.915  773.972  228.486 325.8022 313.6787 
1 1 1   35    2    3 f  835.309  140.395   11.637   3.5418   12.622   4.5016   10.037   5.7385  858.360  173.454  752.957  225.618 105.4033 284.5872 
1 1 1   35    2    5 o  880.004  135.066   12.879   3.6029   9.9016   4.5315   17.996   5.9402  750.424  192.050  1016.23  193.749 -265.8036 272.8039 
1 1 1   35    2    7 o  385.723  156.949   1.2280   2.9762   0.8429   3.7863   1.8505   4.8142  410.940  172.948  477.509  197.524 -66.56842 262.5391 
1 1 1   35    2    9 o  1195.48  137.032   23.902   5.0369   20.437   7.0299   27.558   7.2205  1053.63  220.174  1249.99  190.502 -196.3538 291.1482 
1 1 1   35    2   11 o  778.597  179.953   10.923   4.2993   10.516   6.1953   11.300   5.9711  739.408  236.640  766.805  230.232 -27.39667 330.1589 
1 1 1   35    2   13 o  434.569  164.260   2.7142   3.0598   3.0092   5.6106   2.5893   3.6504  513.410  212.876  447.965  176.651 65.44592 276.6256 
1 1 1   35    2   15 o  562.094  197.056   5.7239   4.2864   5.8458   6.6412   5.6369   5.6118  590.262  236.471  572.390  220.936 17.87219 323.6226 
1 1 1   35    2   17 o  852.451  151.890   13.027   3.9057   9.9498   7.4575   14.190   4.5847  680.231  256.602  874.238  173.603 -194.0073 309.8105 
1 1 1   35    2   19 o  624.928  178.046   7.5607   3.6527   6.0393   6.9558   8.1400   4.2921  574.932  237.594  637.360  195.999 -62.42798 308.0042 
1 1 1   35    2   21 o  566.810  175.688   6.3093   3.4409   0.9897   5.6393   9.4642   4.3430  443.406  198.251  678.664  194.410 -235.2572 277.6667 
1 1 1   35    2   23 o  375.048  160.245   1.2482   3.3346  -8.4974   5.9125   5.7944   4.0382  327.503  161.436  532.529  190.806 -205.0260 249.9364 
1 1 1   35    2   25 f  328.008  148.811  -0.4033   3.3113  -2.4903   5.8793   0.5664   4.0074  380.628  180.962  374.140  167.213 6.487610 246.3889 
1 1 1   35    3    0 o  534.343  176.126   4.6012   3.4180   8.1835   5.5205   2.3743   4.3527  692.539  223.563  482.177  192.021 210.3618 294.7077 
1 1 1   35    3    2 o  591.278  159.325   5.9470   3.0163   6.8834   3.6820   4.0363   5.2595  633.562  178.153  556.710  214.168 76.85254 278.5793 
1 1 1   35    3    4 o  866.443  133.436   12.455   3.5040   11.422   4.3425   14.385   5.9323  813.625  175.599  898.895  213.867 -85.27032 276.7202 
1 1 1   35    3    6 o  779.140  146.780   10.287   3.4496   10.752   4.2969   9.4443   5.7856  784.559  178.881  725.696  228.290 58.86304 290.0256 
1 1 1   35    3    8 o  784.123  149.952   10.524   3.5476   5.3450   4.4604   19.441   5.8526  570.584  200.946  1053.31  184.154 -482.7278 272.5655 
1 1 1   35    3   10 o  412.059  159.998   2.0933   2.9566  -1.2368   4.4964   4.6298   3.9242  390.243  175.557  531.873  188.357 -141.6303 257.4846 
1 1 1   35    3   12 o  961.169  115.067   15.379   3.3943   17.813   5.0300   13.344   4.5994  1005.86  165.457  861.396  176.456 144.4617 241.8937 
1 1 1   35    3   14 o  710.725  142.541   8.8535   3.0618   3.4237   4.5751   13.258   4.1205  495.776  197.046  864.167  158.105 -368.3909 252.6354 
1 1 1   35    3   16 o  637.746  162.885   7.4651   3.2643   7.6950   5.2042   7.3161   4.1914  627.699  217.294  618.606  194.260 9.093323 291.4676 
1 1 1   35    3   18 o  696.810  155.275   8.8958   3.3013   6.0128   4.7030   11.696   4.6351  563.351  205.350  773.579  192.207 -210.2274 281.2683 
1 1 1   35    3   20 o  323.623  142.452  -0.0204   2.7998   3.1872   4.0620  -2.9234   3.8643  459.686  184.662  316.260  149.269 143.4266 237.4476 
1 1 1   35    3   22 o  285.826  131.669  -1.2910   2.7260   2.4168   4.0446  -4.3772   3.6900  430.922  179.878  283.760  137.081 147.1617 226.1582 
1 1 1   35    3   24 o  384.176  157.477   1.9666   3.0241   7.8955   4.1674  -4.6279   4.3951  604.066  194.164  308.246  149.084 295.8202 244.7974 
1 1 1   35    3   26 o  746.435  153.463   10.939   3.4670   10.317   4.8083   11.612   5.0037  658.800  208.224  698.093  211.020 -39.29364 296.4566 
1 1 1   35    4    1 o  1167.07  115.556   22.071   4.1674   21.522   5.1972   23.060   6.9743  1139.76  149.209  1156.89  199.747 -17.12927 249.3239 
1 1 1   35    4    3 o  783.009  143.607   10.287   3.3912   9.1721   4.1959   12.388   5.7588  726.492  184.192  833.675  218.100 -107.1828 285.4723 
1 1 1   35    4    5 f  532.826  171.979   4.7043   3.2669   8.1099   4.1129  -1.1178   5.3776  680.616  187.157  436.930  194.602 243.6860 269.9958 
1 1 1   35    4    7 o  483.251  167.691   3.6775   3.1003   1.4607   3.8266   7.9128   5.2892  429.395  176.708  669.107  219.024 -239.7127 281.4200 
1 1 1   35    4    9 o  430.999  156.998   2.7212   2.7483   0.1130   4.0205   5.0088   3.7654  399.538  173.368  545.768  184.950 -146.2291 253.5016 
1 1 1   35    4   11 f  347.286  148.238   0.3527   2.8486  -1.3150   4.5127   1.4573   3.6728  387.690  175.004  417.296  172.565 -29.60678 245.7743 
1 1 1   35    4   13 o  750.538  132.400   9.6753   2.9978   12.822   4.1885   6.3699   4.2925  848.807  163.523  591.846  197.486 256.9611 256.3986 
1 1 1   35    4   15 o  1166.97  117.400   22.877   4.2316   19.666   5.1761   29.349   7.3480  1049.71  162.747  1256.83  192.876 -207.1178 252.3639 
1 1 1   35    4   17 o  1032.22  111.438   17.944   3.5447   12.619   4.9015   23.782   5.1323  805.919  196.096  1164.22  143.847 -358.3034 243.1987 
1 1 1   35    4   19 o  402.994  158.180   2.2620   2.9142   2.5480   4.2730   2.0133   3.9847  449.987  186.111  427.612  178.523 22.37509 257.8913 
1 1 1   35    4   21 o  432.354  164.621   3.0478   3.0875   6.9803   4.6662  -0.0146   4.1178  582.230  205.478  378.576  169.326 203.6539 266.2562 
1 1 1   35    4   23 o  310.625  142.134  -0.9966   3.1044   2.8990   4.5557  -4.3735   4.2416  451.111  189.773  307.418  148.130 143.6927 240.7405 
1 1 1   35    4   25 o  458.973  171.020   4.0439   3.2923  -1.7347   4.8253   9.0775   4.5035  360.346  169.052  633.537  201.652 -273.1910 263.1385 
1 1 1   35    5    0 o  871.849  162.909   12.842   4.2838   13.655   6.0959   12.049   6.0213  877.828  221.714  823.928  226.407 53.90015 316.8871 
1 1 1   35    5    2 o  1091.28  120.744   19.407   4.0568   25.455   5.0970   8.9522   6.7009  1246.82  132.589  723.349  246.719 523.4677 280.0898 
1 1 1   35    5    4 o  1001.86  126.258   16.505   3.8728   20.462   4.8569   9.5965   6.4175  1110.02  143.068  736.170  241.271 373.8468 280.5003 
1 1 1   35    5    6 o  973.171  163.278   16.178   4.7993   16.178   4.7993   0.0000   0.0000  973.171  163.278  ?   ?  0.000000 163.2783 
1 1 1   35    5    8 o  395.274  149.232   2.0449   2.5236   6.4035   4.1423  -0.5277   3.1824  605.433  193.469  343.547  151.518 261.8860 245.7395 
1 1 1   35    5   10 o  472.179  162.190   3.6193   2.8967   3.6360   4.9961   3.6108   3.5552  522.414  206.455  486.178  178.340 36.23605 272.8167 
1 1 1   35    5   12 f  1258.47  119.776   26.368   4.6629   25.740   5.8845   27.426   7.6441  1217.41  158.100  1216.00  208.250 1.411011 261.4650 
1 1 1   35    5   14 o  862.295  132.012   12.747   3.4509   12.950   5.2336   12.590   4.5902  823.094  204.077  826.313  182.296 -3.218933 273.6405 
1 1 1   35    5   16 o  297.587  134.308  -0.8990   2.6566  -2.2770   3.6825   0.5966   3.8363  324.249  150.646  392.469  169.825 -68.22037 227.0129 
1 1 1   35    5   18 o  697.561  147.974   8.7901   3.1319   7.3082   4.3838   10.335   4.4762  610.015  199.385  725.853  193.440 -115.8380 277.8007 
1 1 1   35    5   20 o  457.780  164.014   3.6608   2.9837   5.6177   4.2193   1.7033   4.2200  541.258  194.920  424.292  180.750 116.9668 265.8274 
1 1 1   35    5   22 o  340.802  148.954   0.3421   3.0136  -0.2502   4.5197   0.8162   4.0437  385.765  174.544  391.931  171.888 -6.165985 244.9722 
1 1 1   35    5   24 o  304.085  140.753  -1.3887   3.1703 -11.1637   4.8215   6.0565   4.2078  265.386  133.160  537.210  194.480 -271.8244 235.6989 
1 1 1   35    6    1 o  1185.21  138.004   23.090   5.0257   16.502   7.0220   30.009   7.1961  958.011  235.699  1334.54  176.539 -376.5284 294.4831 
1 1 1   35    6    3 o  622.316  168.286   6.6581   3.3581   5.1410   4.5080   8.5495   5.0334  571.749  201.946  698.335  211.768 -126.5864 292.6224 
1 1 1   35    6    5 o  388.739  160.328   1.0357   3.1586   0.9674   4.0089   1.1474   5.1292  424.815  178.328  473.153  200.326 -48.33841 268.2008 
1 1 1   35    6    7 o  494.302  170.516   3.9059   3.2034  -0.0643   4.3765   8.4875   4.7014  412.964  180.024  687.678  203.801 -274.7134 271.9251 
1 1 1   35    6    9 o  380.281  146.601   1.7660   2.4684  -3.8087   3.9913   5.2189   3.1412  321.250  151.648  548.462  167.510 -227.2117 225.9575 
1 1 1   35    6   11 o  305.613  135.640  -0.5818   2.5899  -1.2844   4.1554  -0.1355   3.3119  371.977  167.920  357.265  156.150 14.71219 229.3031 
1 1 1   35    6   13 o  249.912  119.128  -3.0060   2.5821  -0.2504   4.4216  -4.4321   3.1809  401.927  177.863  264.234  127.555 137.6931 218.8735 
1 1 1   35    6   15 f  979.615  115.223   16.123   3.4668   12.587   5.3215   18.731   4.5696  803.722  209.364  1037.62  144.571 -233.8949 254.4293 
1 1 1   35    6   17 o  796.853  136.068   11.118   3.2732   6.8048   5.0768   14.186   4.2820  595.787  213.890  885.301  160.375 -289.5143 267.3370 
1 1 1   35    6   19 o  546.463  157.587   5.5356   2.8450   2.4659   4.0207   8.6139   4.0263  442.125  181.446  663.780  186.172 -221.6544 259.9666 
1 1 1   35    6   21 o  437.205  174.675   2.8264   3.6128   2.5920   4.1491   3.5615   7.3475  443.171  183.350  524.025  230.715 -80.85382 294.6976 
1 1 1   35    6   23 o  479.736  167.905   4.3537   3.1114   3.0521   4.2635   5.8367   4.5509  450.714  186.117  535.902  200.796 -85.18839 273.7854 
1 1 1   35    6   25 o  212.433  106.213  -6.9225   2.9416 -11.2824   4.3011  -3.0910   4.0321  242.088  122.017  312.078  148.789 -69.99013 192.4220 
1 1 1   35    7    0 o  297.535  136.622  -1.9243   2.9029  -3.9978   3.6728   1.5273   4.7387  305.524  144.602  472.701  195.788 -167.1766 243.3979 
1 1 1   35    7    2 o  563.148  174.916   5.3244   3.4087   7.0895   4.2900   2.3016   5.6141  641.874  195.696  520.251  214.061 121.6229 290.0329 
1 1 1   35    7    4 o  433.670  165.529   2.3683   3.1265   4.6139   3.8019  -2.3229   5.4949  537.401  185.742  420.138  191.027 117.2628 266.4420 
1 1 1   35    7    6 o  1258.21  118.372   25.920   4.6088   25.956   5.7684   25.855   7.6637  1242.34  151.418  1202.96  211.158 39.37756 259.8363 
1 1 1   35    7    8 o  841.204  154.479   12.180   3.9191   9.9309   4.7356   17.069   6.9814  739.114  199.831  949.977  235.801 -210.8631 309.0867 
1 1 1   35    7   10 o  1243.03  102.566   25.220   3.9565   27.523   5.6177   22.953   5.5731  1275.23  143.160  1153.92  158.423 121.3059 213.5242 
1 1 1   35    7   12 o  303.669  136.487  -0.9089   2.7106  -0.7832   3.7103  -1.0529   3.9695  360.374  160.989  366.845  164.999 -6.471497 230.5256 
1 1 1   35    7   14 o  865.753  142.240   13.005   3.7220   11.472   5.0198   14.878   5.5470  774.281  204.143  884.521  204.383 -110.2403 288.8714 
1 1 1   35    7   16 o  941.964  134.077   15.323   3.8430   15.734   5.1817   14.820   5.7291  916.799  186.842  867.767  212.535 49.03210 282.9857 
1 1 1   35    7   18 o  643.905  170.972   7.7959   3.5050   12.966   5.0868   3.1219   4.8364  810.799  201.292  483.373  198.761 327.4258 282.8855 
1 1 1   35    7   20 o  320.874  146.640  -1.2135   3.2907  -5.3138   5.0231   1.8691   4.3554  334.996  161.365  433.632  184.152 -98.63657 244.8477 
1 1 1   35    7   22 f  440.437  164.954   3.2967   3.0706  -0.5789   4.4421   6.8429   4.2492  378.060  171.841  578.260  196.471 -200.1997 261.0171 
1 1 1   35    7   24 o  456.874  168.692   3.8515   3.1889   4.6154   4.2810   2.8994   4.7796  492.134  192.129  452.871  192.629 39.26358 272.0652 
1 1 1   35    8    1 o  801.858  190.535   11.224   4.7133   11.224   4.7133   0.0000   0.0000  801.858  190.535  ?   ?  0.000000 190.5351 
1 1 1   35    8    3 o  534.548  198.203   4.1462   4.4114   4.1462   4.4114   0.0000   0.0000  534.548  198.203  ?   ?  0.000000 198.2027 
1 1 1   35    8    5 o  321.616  150.451  -3.2256   3.7753  -3.2256   3.7753   0.0000   0.0000  321.616  150.451  ?   ?  0.000000 150.4506 
1 1 1   35    8    7 o  567.750  197.394   5.3543   4.2969   5.3543   4.2969   0.0000   0.0000  567.750  197.394  ?   ?  0.000000 197.3941 
1 1 1   35    8    9 o  715.002  194.233   9.3068   4.4615   13.398   5.8558   3.6457   6.8880  845.205  219.357  569.006  235.893 276.1997 322.1228 
1 1 1   35    8   11 f  777.377  164.915   10.706   3.8899   13.034   4.7157   5.7495   6.8812  849.523  182.703  609.311  241.819 240.2119 303.0792 
1 1 1   35    8   13 o  510.530  176.179   4.4346   3.4198   5.3930   4.0657   2.1161   6.3234  554.814  192.061  512.795  219.923 42.01892 291.9814 
1 1 1   35    8   15 o  434.330  170.185   2.5242   3.3684   4.4300   4.0299  -1.8939   6.1359  515.248  189.741  432.458  198.595 82.79037 274.6667 
1 1 1   35    8   17 o  560.306  190.933   5.8140   4.0132   5.3369   4.9778   6.6998   6.7832  551.559  209.263  605.327  240.137 -53.76819 318.5226 
1 1 1   35    8   19 o  596.926  185.576   6.8740   3.8358   14.311   5.1367  -2.5010   5.7673  855.025  196.045  401.788  187.288 453.2373 271.1279 
1 1 1   35    8   21 o  460.117  173.255   3.5834   3.3963   4.2489   5.2718   3.1112   4.4406  509.844  208.331  465.582  190.834 44.26273 282.5235 
1 1 1   35    8   23 o  282.389  133.421  -2.4997   3.1019  -5.3461   4.7697  -0.4135   4.0834  318.921  154.513  365.964  165.717 -47.04254 226.5751 
1 1 1   35    9    0 f  540.333  198.547   4.2526   4.4092   4.2526   4.4092   0.0000   0.0000  540.333  198.547  ?   ?  0.000000 198.5472 
1 1 1   35    9    2 o  860.908  228.207   13.453   6.2513   13.453   6.2513   0.0000   0.0000  860.908  228.207  ?   ?  0.000000 228.2070 
1 1 1   35    9    4 o  273.778  133.699  -6.5658   3.7695  -6.5658   3.7695   0.0000   0.0000  273.778  133.699  ?   ?  0.000000 133.6992 
1 1 1   35    9    6 o  665.898  192.745   7.8927   4.2490   7.8927   4.2490   0.0000   0.0000  665.898  192.745  ?   ?  0.000000 192.7448 
1 1 1   35    9    8 o  1005.25  175.458   17.699   5.3220   17.699   5.3220   0.0000   0.0000  1005.25  175.458  ?   ?  0.000000 175.4576 
1 1 1   35    9   10 o  942.088  141.561   15.109   4.0468   14.706   5.0575   15.826   6.7469  905.067  184.712  905.598  235.663 -0.5310669 299.4255 
1 1 1   35    9   12 o  311.788  143.315  -1.8297   3.2056  -1.9728   3.8439  -1.5030   5.8089  342.779  157.329  433.809  196.921 -91.02951 252.0523 
1 1 1   35    9   14 o  479.602  174.387   3.6974   3.3886  -2.0289   4.0612   16.822   6.1483  350.290  161.122  935.630  214.448 -585.3406 268.2314 
1 1 1   35    9   16 f  440.777  171.813   2.6999   3.4195   3.2415   3.9429   1.0567   6.8684  472.421  184.398  498.964  221.199 -26.54291 287.9781 
1 1 1   35    9   18 o  306.291  139.590  -1.2169   2.9560  -2.1040   3.7544   0.2300   4.7947  329.704  152.808  417.756  185.024 -88.05179 239.9672 
1 1 1   35    9   20 o  368.763  159.536   0.5900   3.3842   1.2441   4.6242  -0.1645   4.9661  428.655  185.966  410.875  184.700 17.78052 262.1022 
1 1 1   35    9   22 o  393.198  165.723   1.5060   3.4848   3.3598   5.0857  -0.1347   4.7847  481.543  201.417  399.520  180.285 82.02310 270.3170 
1 1 1   35   10    1 o  952.522  114.083   14.815   3.3349   13.586   4.8824   15.889   4.5661  884.972  182.261  970.867  155.443 -85.89447 239.5446 
1 1 1   35   10    3 o  459.968  182.456   2.3190   3.9156   6.2771   5.2484  -2.6494   5.8802  617.676  217.927  429.767  196.256 187.9084 293.2721 
1 1 1   35   10    5 o  389.885  164.228   0.7078   3.4189  -4.0043   4.2594   9.2426   5.7324  334.025  157.368  714.472  227.518 -380.4469 276.6393 
1 1 1   35   10    7 o  545.114  174.663   5.0716   3.3744   1.4335   3.9912   14.189   6.3184  433.182  179.573  870.208  228.837 -437.0256 290.8827 
1 1 1   35   10    9 o  517.755  185.296   4.2916   3.8073   7.9108   4.3674  -7.1652   7.7706  660.892  196.557  434.077  206.844 226.8145 285.3404 
1 1 1   35   10   11 o  538.781  160.957   5.0794   2.9238   6.6717   4.3075   3.7190   3.9815  609.234  197.566  498.352  187.601 110.8818 272.4451 
1 1 1   35   10   13 f  283.813  130.767  -1.6839   2.6905   0.5762   3.9457  -3.6480   3.6782  402.336  173.164  304.489  144.286 97.84665 225.3973 
1 1 1   35   10   15 o  376.990  156.072   1.1701   3.0092   4.0488   4.1761  -1.9389   4.3399  506.448  191.786  363.972  167.099 142.4765 254.3697 
1 1 1   35   10   17 o  378.190  153.431   1.4942   2.8343   6.0688   4.2005  -2.3295   3.8403  572.504  195.337  331.451  153.942 241.0528 248.7058 
1 1 1   35   10   19 o  525.333  167.940   5.0641   3.1210   6.5678   4.2023   3.2147   4.6606  584.805  195.400  481.947  196.287 102.8582 276.9652 
1 1 1   35   10   21 o  236.327  116.050  -5.2314   2.9617  -5.6806   4.0800  -4.7311   4.3060  289.439  140.849  311.607  149.929 -22.16803 205.7114 
1 1 1   35   11    0 o  705.510  142.528   8.4112   3.0402   6.3409   4.8669   9.7360   3.8933  617.665  210.264  751.081  169.563 -133.4163 270.1158 
1 1 1   35   11    2 o  543.410  164.253   5.0052   3.0317   5.4527   4.6848   4.6828   3.9766  582.594  205.857  542.821  189.829 39.77362 280.0216 
1 1 1   35   11    4 o  460.058  181.137   2.4503   3.8326  -0.2274   4.8676   6.8180   6.2167  431.337  188.895  644.984  235.944 -213.6472 302.2431 
1 1 1   35   11    6 o  699.140  173.017   8.6038   3.7671   10.389   4.2965   2.6696   7.8339  765.581  181.915  579.302  246.515 186.2782 306.3702 
1 1 1   35   11    8 o  285.217  134.803  -3.2435   3.1716  -3.9881   3.5169   0.0000   7.3399  293.079  139.518  516.028  228.719 -222.9481 267.9132 
1 1 1   35   11   10 o  366.281  158.211   0.1497   3.3177   1.1315   3.6226  -4.9560   8.2613  407.255  170.138  472.547  221.532 -65.29169 279.3270 
1 1 1   35   11   12 o  369.767  153.845   0.9380   2.9448  -1.1886   4.0566   3.3072   4.2817  369.035  166.315  491.572  192.079 -122.5366 254.0764 
1 1 1   35   11   14 o  706.922  155.378   8.8612   3.3456   11.789   5.0474   6.5672   4.4681  789.513  203.030  600.316  201.479 189.1970 286.0332 
1 1 1   35   11   16 o  417.539  162.850   2.3035   3.0734  -1.5010   4.3196   6.2041   4.3739  370.448  168.795  581.961  199.324 -211.5130 261.1927 
1 1 1   35   11   18 o  606.291  168.021   6.8004   3.3001   7.1271   4.6169   6.4591   4.7190  609.162  204.804  585.964  206.655 23.19867 290.9486 
1 1 1   35   11   20 o  469.540  166.326   3.8234   3.0601   6.9753   4.5488   1.2176   4.1360  596.026  203.275  414.150  177.746 181.8766 270.0270 
1 1 1   35   12    1 o  922.688  126.117   14.059   3.5483   17.804   5.2631   10.938   4.8044  1020.38  170.760  786.044  195.898 234.3353 259.8752 
1 1 1   35   12    3 o  431.165  160.984   2.5170   2.9202   1.6104   4.2439   3.3323   4.0243  450.980  185.901  495.490  188.116 -44.51007 264.4748 
1 1 1   35   12    5 o  721.930  197.063   9.3322   4.5794   6.5042   5.3281   17.328   8.9590  622.572  219.584  936.921  282.171 -314.3490 357.5435 
1 1 1   35   12    7 o  365.642  159.758  -0.2383   3.4642   2.5680   3.7723 -15.3403   8.7511  459.541  180.090  399.802  196.943 59.73892 266.8688 
1 1 1   35   12    9 o  576.401  183.421   5.7933   3.7262   7.2969   4.0840  -1.6767   9.1030  638.362  190.121  539.114  245.411 99.24780 310.4396 
1 1 1   35   12   11 o  645.733  197.347   7.5828   4.3590   7.5828   4.3590   0.0000   0.0000  645.733  197.347  ?   ?  0.000000 197.3466 
1 1 1   35   12   13 o  335.208  142.803   0.3539   2.6342   3.4153   3.6497  -2.9754   3.8060  478.391  179.706  322.920  151.060 155.4709 234.7626 
1 1 1   35   12   15 o  576.565  169.527   5.9922   3.2641   4.3245   4.8971   7.3254   4.3786  531.162  206.006  627.554  198.738 -96.39270 286.2439 
1 1 1   35   12   17 o  393.632  156.967   1.8153   2.9121   5.8323   4.1312  -2.1519   4.1055  565.924  193.716  348.282  160.845 217.6411 251.7877 
1 1 1   35   12   19 o  759.541  151.995   10.371   3.4887   12.647   4.9165   8.0628   4.9513  807.926  196.280  638.206  212.059 169.7197 288.9549 
1 1 1   35   13    0 o  566.640  166.086   5.4757   3.1373   9.7907   4.7093   2.0326   4.2067  743.792  198.507  463.118  187.260 280.6747 272.8936 
1 1 1   35   13    2 o  326.730  145.055  -0.7772   2.9641   5.1752   4.4583  -5.4925   3.9681  569.030  200.846  298.427  143.670 270.6026 246.9411 
1 1 1   35   13    4 o  443.343  161.846   2.8226   2.9230  -1.9711   4.0386   8.0961   4.2359  358.358  163.257  676.588  191.376 -318.2307 251.5510 
1 1 1   35   13    6 o  474.008  174.022   3.2852   3.3861   10.856   4.7258  -4.7029   4.8542  778.474  194.443  352.485  166.650 425.9895 256.0865 
1 1 1   35   13    8 o  345.634  154.623  -0.9999   3.4356   0.4019   3.7181  -9.1872   8.9857  393.874  168.772  456.196  218.743 -62.32166 276.2835 
1 1 1   35   13   10 o  269.306  129.764  -4.5309   3.2548  -4.3400   3.4824  -5.8494   9.1515  285.340  136.649  490.855  231.077 -205.5142 268.4574 
1 1 1   35   13   12 o  488.231  187.730   3.3490   4.0399   3.3490   4.0399   0.0000   0.0000  488.231  187.730  ?   ?  0.000000 187.7301 
1 1 1   35   13   14 o  565.628  190.112   5.6411   3.9782   5.6461   4.2975   5.6110   10.518  568.481  197.421  655.436  282.404 -86.95471 344.5682 
1 1 1   35   13   16 o  284.236  131.015  -1.6694   2.7046  -0.1470   3.8773  -3.1122   3.7744  380.361  167.525  317.134  149.014 63.22641 224.2094 
1 1 1   35   13   18 o  326.867  144.583  -0.3513   2.9186   2.8864   4.3436  -3.0163   3.9407  471.371  190.392  325.020  152.573 146.3514 243.9831 
1 1 1   35   14    1 o  569.268  172.848   5.5151   3.3517   9.2960   4.8930   2.1725   4.6007  723.473  206.051  480.780  195.327 242.6933 283.9182 
1 1 1   35   14    3 o  241.259  117.015  -4.4161   2.7544  -6.6589   3.5404  -0.9765   4.3843  259.976  127.504  395.642  175.996 -135.6657 217.3295 
1 1 1   35   14    5 o  755.072  143.820   9.6780   3.2762   3.7000   4.6224   15.712   4.6441  522.701  200.851  959.438  160.236 -436.7366 256.9368 
1 1 1   35   14    7 o  456.362  166.565   3.0463   3.0957   6.9038   4.1287  -1.9070   4.6785  626.497  192.163  388.924  176.615 237.5731 260.9971 
1 1 1   35   14    9 o  479.501  182.608   3.1619   3.7995   2.9491   4.1067   4.4263   10.012  481.586  188.130  650.986  277.892 -169.4003 335.5844 
1 1 1   35   14   11 o  422.299  173.553   1.5375   3.6850   1.1827   3.9366   4.0494   10.475  422.246  176.954  646.955  280.281 -224.7092 331.4669 
1 1 1   35   14   13 o  270.252  131.422  -5.5850   3.5361  -5.5850   3.5361   0.0000   0.0000  270.252  131.422  ?   ?  0.000000 131.4221 
1 1 1   35   14   15 o  497.043  186.295   3.8058   3.9179   3.3950   4.1819   6.7549   11.204  489.787  190.257  678.537  291.922 -188.7491 348.4478 
1 1 1   35   14   17 o  328.082  144.107  -0.2226   2.8518  -2.4835   3.6361   3.3906   4.5968  320.401  149.137  495.529  197.334 -175.1274 247.3508 
1 1 1   35   15    0 o  393.511  161.663   1.0991   3.1959   0.1686   4.7765   1.8533   4.3003  439.027  189.734  462.019  188.401 -22.99197 267.3838 
1 1 1   35   15    2 o  596.627  171.310   6.1259   3.3687   6.0110   4.8228   6.2353   4.7073  604.476  209.184  610.735  206.794 -6.259094 294.1455 
1 1 1   35   15    4 o  396.811  155.013   1.7602   2.7881   3.1596   3.7464   0.0231   4.1741  481.904  181.854  408.184  176.884 73.72006 253.6904 
1 1 1   35   15    6 o  290.741  133.633  -1.8063   2.7866  -0.5326   3.8757  -3.1694   4.0094  380.396  167.519  334.973  156.148 45.42365 229.0084 
1 1 1   35   15    8 o  432.176  163.922   2.4614   3.0539   6.8478   4.2294  -2.3170   4.4143  624.567  194.977  369.259  169.157 255.3077 258.1275 
1 1 1   35   15   10 o  492.452  169.652   3.9134   3.1705   4.7696   4.3775   2.9687   4.5980  547.567  198.342  496.685  197.497 50.88235 279.9010 
1 1 1   35   15   12 o  253.497  124.257  -6.1180   3.3473  -7.2024   3.5114   4.6725   11.077  250.470  123.640  664.964  288.152 -414.4938 313.5583 
1 1 1   35   15   14 o  597.854  202.293   6.3478   4.5046   6.3478   4.5046   0.0000   0.0000  597.854  202.293  ?   ?  0.000000 202.2928 
1 1 1   35   16    1 o  450.743  172.320   2.5523   3.3916   0.4634   4.9408   4.4138   4.6642  452.397  194.220  550.101  203.836 -97.70438 281.5499 
1 1 1   35   16    3 o  296.924  137.439  -2.2539   3.0229   0.4331   3.9375  -6.1111   4.7176  408.504  174.324  329.318  158.062 79.18533 235.3134 
1 1 1   35   16    5 o  440.388  165.806   2.5746   3.1103  -3.3654   4.2669   9.3095   4.5435  345.730  161.137  724.609  195.663 -378.8790 253.4737 
1 1 1   35   16    7 o  447.107  169.122   2.6553   3.2451   2.9989   4.7395   2.3519   4.4524  505.720  200.695  478.409  192.928 27.31113 278.3878 
1 1 1   35   16    9 o  559.588  171.577   5.3840   3.2919   2.5951   4.5169   8.5433   4.8075  485.639  194.855  689.374  206.494 -203.7350 283.9159 
1 1 1   35   16   11 o  589.813  170.071   6.0945   3.3138   3.0953   4.5336   9.5353   4.8559  498.266  196.744  723.002  205.043 -224.7364 284.1672 
1 1 1   35   16   13 o  506.873  194.893   3.6349   4.3540   3.6349   4.3540   0.0000   0.0000  506.873  194.893  ?   ?  0.000000 194.8928 
1 1 1   35   17    0 o  353.218  155.383  -0.5920   3.3266   10.269   7.4908  -3.2601   3.7128  763.995  260.854  319.391  149.343 444.6038 300.5801 
1 1 1   35   17    2 o  530.607  194.187   4.1360   4.2116   6.1903   9.5950   3.6458   4.6873  695.721  282.285  527.290  202.340 168.4314 347.3124 
1 1 1   35   17    4 o  278.618  128.946  -2.0177   2.6593  -2.9492   3.3902  -0.5279   4.2875  305.774  142.888  401.930  176.617 -96.15594 227.1795 
1 1 1   35   17    6 o  812.132  150.962   11.195   3.6976   17.067   5.0669   4.5051   5.4083  999.291  167.885  567.837  217.478 431.4537 274.7400 
1 1 1   35   17    8 o  321.785  145.628  -1.4090   3.1481  -1.2700   4.5274  -1.5390   4.3805  395.474  177.169  383.384  172.799 12.09018 247.4840 
1 1 1   35   17   10 o  427.086  167.209   2.1299   3.2496  -3.0097   4.7173   6.7716   4.4829  371.565  171.883  622.617  201.510 -251.0519 264.8587 
1 1 1   35   18    1 f  391.383  170.939  -0.3797   3.9626   0.0000   0.0000  -0.3797   3.9626  ?   ?   391.383  170.939 0.000000 170.9389 
1 1 1   35   18    3 f  337.913  155.125  -2.3202   3.7394   0.0000   0.0000  -2.3202   3.7394  ?   ?   337.913  155.125 0.000000 155.1254 
1 1 1   35   18    5 o  456.365  177.845   2.4418   3.6631   0.0000   0.0000   2.4418   3.6631  ?   ?   456.365  177.845 0.000000 177.8449 
1 1 1   35   18    7 o  608.713  163.409   6.3922   3.1800   6.0395   4.6350   6.7058   4.3710  602.185  205.194  624.060  198.666 -21.87549 285.6092 
1 1 1   35   19    0 o  315.139  144.283  -1.9724   3.2053  -4.7542   4.8654   0.1608   4.2606  356.682  168.087  418.889  180.110 -62.20743 246.3590 
1 1 1   35   19    2 o  389.690  155.375   1.4309   2.8530  -1.6585   4.0626   4.4370   4.0074  368.684  166.270  538.135  190.366 -169.4511 252.7548 
1 1 1   35   19    4 o  424.713  175.995   1.1596   3.8316   2.1655   10.692   1.0114   4.1042  652.872  283.010  432.275  180.885 220.5970 335.8785 
1 1 1   36    0    0 o  310.636  191.044   1.3791   3.6048   1.3791   3.6048   1.3791   3.6048  310.636  191.044  310.636  191.044 -0.000000 0.000000 
1 1 1   36    0    2 o  617.987  283.477   9.3666   5.9973   9.3666   5.9973   9.3666   5.9973  617.987  283.477  617.987  283.477 -0.000000 0.000000 
1 1 1   36    0    4 o  570.814  237.307   7.5374   4.2289   7.5374   4.2289   7.5374   4.2289  570.814  237.307  570.814  237.307 -0.000000 0.000000 
1 1 1   36    0    6 o  975.943  170.036   16.704   4.7238   16.704   4.7238   16.704   4.7238  975.943  170.036  975.943  170.036 -0.000000 0.000000 
1 1 1   36    0    8 o  408.387  213.232   4.1041   3.5700   4.1041   3.5700   4.1041   3.5700  408.387  213.232  408.387  213.232 -0.000000 0.000000 
1 1 1   36    0   10 o  271.490  175.851   0.1451   3.5341   0.1451   3.5341   0.1451   3.5341  271.490  175.851  271.490  175.851 -0.000000 0.000000 
1 1 1   36    0   12 o  416.152  220.665   4.3380   3.8676   4.3380   3.8676   4.3380   3.8676  416.152  220.665  416.152  220.665 -0.000000 0.000000 
1 1 1   36    0   14 o  456.557  269.862   4.9968   6.6349   4.9968   6.6349   4.9968   6.6349  456.557  269.862  456.557  269.862 -0.000000 0.000000 
1 1 1   36    0   16 o  411.589  244.930   3.8474   5.5307   3.8474   5.5307   3.8474   5.5307  411.589  244.930  411.589  244.930 -0.000000 0.000000 
1 1 1   36    0   18 o  435.844  251.975   4.7487   5.5759   4.7487   5.5759   4.7487   5.5759  435.844  251.975  435.844  251.975 -0.000000 0.000000 
1 1 1   36    0   20 o  817.564  287.523   15.404   6.6781   15.404   6.6781   15.404   6.6781  817.564  287.523  817.564  287.523 -0.000000 0.000000 
1 1 1   36    0   22 o  352.391  226.954   1.2911   5.7736   1.2911   5.7736   1.2911   5.7736  352.391  226.954  352.391  226.954 -0.000000 0.000000 
1 1 1   36    0   24 o  310.165  212.116  -2.4240   6.4962  -2.4240   6.4962  -2.4240   6.4962  310.165  212.116  310.165  212.116 -0.000000 0.000000 
1 1 1   36    1    1 o  386.203  161.732   0.7139   3.2846  -3.4238   6.3104   2.2516   3.8468  437.440  201.074  457.375  181.030 -19.93469 270.5598 
1 1 1   36    1    3 o  559.608  173.313   5.3149   3.3492   6.7975   4.0998   2.3402   5.8071  625.931  191.406  523.219  216.727 102.7125 289.1485 
1 1 1   36    1    5 o  562.578  160.414   5.4631   2.9638   2.0556   4.2275   8.7567   4.1562  460.855  187.236  701.952  186.081 -241.0964 263.9759 
1 1 1   36    1    7 o  707.843  134.605   8.5253   2.8744   9.1812   3.9386   7.7778   4.2044  718.072  176.435  657.466  192.143 60.60608 260.8603 
1 1 1   36    1    9 o  670.413  165.209   8.0027   3.4457   7.7047   4.2357   8.5859   5.9248  649.348  193.673  677.984  231.988 -28.63556 302.2047 
1 1 1   36    1   11 o  546.511  174.688   5.3060   3.3769   1.5918   4.0934   13.219   5.9748  433.376  180.937  821.123  225.489 -387.7463 289.1079 
1 1 1   36    1   13 o  538.224  176.756   5.1999   3.4437   6.0184   4.3286   3.7888   5.6838  574.007  198.204  527.622  216.040 46.38464 293.1863 
1 1 1   36    1   15 o  437.625  173.961   2.5686   3.5664  -0.5520   4.4036   8.5170   6.0798  388.232  174.270  648.731  233.937 -260.4987 291.7133 
1 1 1   36    1   17 f  363.426  161.673  -0.1949   3.7002  -3.1820   4.7650   4.3421   5.8725  354.207  166.746  528.519  218.353 -174.3124 274.7406 
1 1 1   36    1   19 f  346.708  155.531  -0.4059   3.5015   0.3138   4.5309  -1.4731   5.5174  401.372  178.705  402.256  186.014 -0.8842773 257.9472 
1 1 1   36    1   21 o  362.083  160.085   0.3062   3.5739  -3.0027   4.5582   5.5863   5.7580  340.521  161.144  536.169  218.251 -195.6473 271.2948 
1 1 1   36    1   23 o  875.107  171.214   15.197   4.5235   16.687   5.7488   12.776   7.3300  864.979  213.538  683.223  255.062 181.7564 332.6490 
1 1 1   36    2    0 o  534.968  157.441   4.8184   2.8141   6.9816   3.9297   2.5411   4.0319  636.464  185.688  473.640  186.010 162.8246 262.8303 
1 1 1   36    2    2 o  277.198  126.593  -1.4512   2.4471  -4.0529   3.2834   1.7999   3.6704  280.577  133.907  435.584  175.340 -155.0073 220.6251 
1 1 1   36    2    4 o  471.813  172.529   3.2464   3.3236   0.0924   4.1601   8.8114   5.5259  408.267  176.753  701.229  223.392 -292.9626 284.8608 
1 1 1   36    2    6 o  737.493  161.926   9.4808   3.6369   9.3592   4.5624   9.6927   6.0234  719.792  196.786  724.435  233.490 -4.643066 305.3561 
1 1 1   36    2    8 o  419.307  174.181   1.3531   3.7663   1.0964   5.6068   1.5641   5.0841  479.052  206.300  472.281  199.672 6.770508 287.1033 
1 1 1   36    2   10 o  414.020  165.339   1.9385   3.2353   2.7717   4.1161   0.5915   5.2335  469.477  186.803  451.720  196.893 17.75723 271.4081 
1 1 1   36    2   12 o  522.437  185.897   4.6604   3.8268   10.985   4.8836  -5.4007   6.1596  758.789  201.975  388.126  184.730 370.6633 273.7132 
1 1 1   36    2   14 o  1010.17  149.562   17.963   4.5878   15.831   6.0028   20.959   7.1143  894.259  216.656  1022.45  228.021 -128.1865 314.5364 
1 1 1   36    2   16 o  381.813  166.609   0.4114   3.7568  -6.0397   4.7686   10.967   6.0997  318.993  154.534  717.620  235.221 -398.6269 281.4427 
1 1 1   36    2   18 o  534.916  185.243   5.4222   3.7823   5.6717   4.8915   5.0512   5.9649  548.190  207.571  541.928  221.540 6.262817 303.5881 
1 1 1   36    2   20 o  577.321  190.591   6.7343   4.0020   0.1092   5.1333   17.001   6.3901  413.672  186.699  876.437  229.966 -462.7648 296.2106 
1 1 1   36    2   22 o  367.151  164.704   0.0545   3.9269   0.8364   4.7923  -1.5436   6.8510  410.343  183.163  426.297  200.453 -15.95410 271.5333 
1 1 1   36    2   24 o  360.121  162.533   0.0777   3.8907   3.8320   4.6787  -8.3380   7.0051  464.933  193.719  354.866  175.074 110.0669 261.1087 
1 1 1   36    3    1 o  514.159  160.702   4.3922   2.8721   4.9979   4.0707   3.7918   4.0530  557.895  192.233  514.261  190.120 43.63361 270.3687 
1 1 1   36    3    3 o  544.351  157.399   5.0554   2.8348   6.3007   4.0146   3.8168   4.0036  605.100  190.135  511.615  188.994 93.48465 268.0860 
1 1 1   36    3    5 o  662.877  197.593   7.8316   4.4099   7.8316   4.4099   0.0000   0.0000  662.877  197.593  ?   ?  0.000000 197.5929 
1 1 1   36    3    7 o  631.574  171.468   7.0689   3.4781   11.661   4.4208  -0.3915   5.6349  809.232  179.194  452.609  200.516 356.6238 268.9180 
1 1 1   36    3    9 o  500.036  176.665   4.0790   3.4503   7.3962   4.3736  -1.3871   5.6143  636.449  198.207  430.272  194.622 206.1773 277.7835 
1 1 1   36    3   11 o  526.090  178.016   4.8033   3.4883   1.6455   4.3835   10.257   5.7603  444.758  186.575  723.864  227.801 -279.1068 294.4550 
1 1 1   36    3   13 o  1004.89  140.559   17.475   4.3017   7.8434   5.4325   33.668   7.0438  638.444  221.952  1374.82  167.056 -736.3757 277.7956 
1 1 1   36    3   15 o  812.328  173.357   12.233   4.2752   14.221   5.3438   8.6966   7.1258  853.650  202.902  654.000  249.834 199.6505 321.8479 
1 1 1   36    3   17 o  558.378  190.928   5.9434   4.0131   3.9406   5.2901   8.6584   6.1592  509.953  208.571  642.185  234.861 -132.2320 314.1042 
1 1 1   36    3   19 o  454.762  182.508   3.1001   3.9636   6.2409   4.9055  -2.8064   6.7270  561.782  208.868  420.514  198.009 141.2689 287.8085 
1 1 1   36    3   21 o  666.915  216.945   9.8762   5.1923   9.8762   5.1923   0.0000   0.0000  666.915  216.945  ?   ?  0.000000 216.9447 
1 1 1   36    3   23 o  552.463  188.428   6.4396   3.9086   6.1831   4.7480   6.9790   6.8846  537.661  204.281  556.666  233.687 -19.00494 310.3875 
1 1 1   36    4    0 o  625.275  154.607   6.6838   3.0100   3.0163   4.3137   10.164   4.2021  497.193  193.204  765.363  178.600 -268.1704 263.1082 
1 1 1   36    4    2 o  1156.85  100.484   21.614   3.6037   22.177   5.0181   21.014   5.1786  1155.04  141.721  1119.35  151.654 35.69238 207.5663 
1 1 1   36    4    4 o  419.155  161.809   2.1431   3.0103   3.7395   3.6310  -1.3659   5.3835  498.016  180.603  429.587  192.770 68.42914 264.1548 
1 1 1   36    4    6 o  644.059  172.310   7.3299   3.5430   5.8495   4.4615   9.8577   5.8299  586.163  201.290  728.937  229.138 -142.7734 304.9944 
1 1 1   36    4    8 o  1127.23  126.918   21.212   4.4018   19.970   5.5329   23.354   7.2654  1067.33  171.351  1124.18  214.218 -56.85742 274.3185 
1 1 1   36    4   10 o  655.630  188.919   7.9063   4.0903   1.5479   5.5345   15.559   6.0717  481.378  206.079  902.873  217.375 -421.4954 299.5338 
1 1 1   36    4   12 o  1276.06  119.426   27.254   4.7164   30.275   5.8212   21.483   8.0464  1328.15  142.183  1022.17  252.806 305.9837 290.0459 
1 1 1   36    4   14 o  446.762  174.132   2.8217   3.5122  -2.9056   4.1500   17.279   6.5935  336.584  157.544  924.594  228.951 -588.0095 277.9187 
1 1 1   36    4   16 o  411.888  169.164   1.8636   3.4981  -0.7494   4.3267   6.7952   5.9440  379.843  171.420  596.334  228.088 -216.4911 285.3225 
1 1 1   36    4   18 o  468.378  176.981   3.6675   3.5513   6.5551   4.2922  -2.5991   6.3231  577.485  197.457  415.080  194.342 162.4045 277.0527 
1 1 1   36    4   20 o  409.503  163.186   2.3780   3.1455   5.5224   4.3892  -0.9420   4.5100  533.533  197.729  374.847  171.446 158.6867 261.7064 
1 1 1   36    4   22 o  315.460  143.159  -0.6948   3.0674   2.8041   4.7069  -3.2776   4.0440  451.638  191.598  313.801  149.444 137.8370 242.9882 
1 1 1   36    4   24 o  601.576  200.861   8.1713   4.4405   20.793   7.3319   0.8600   5.5803  899.373  250.869  421.569  191.997 477.8031 315.9083 
1 1 1   36    5    1 o  728.989  139.103   8.9521   3.0594   4.2664   4.1660   14.437   4.5073  532.639  193.406  920.901  162.237 -388.2623 252.4413 
1 1 1   36    5    3 o  409.896  165.340   1.5588   3.2710   4.7714   4.0907  -4.1369   5.4469  546.552  192.444  388.282  181.333 158.2695 264.4175 
1 1 1   36    5    5 o  1020.37  132.789   17.376   4.1421   15.293   5.1750   21.090   6.9098  930.830  184.074  1078.94  212.088 -148.1075 280.8286 
1 1 1   36    5    7 o  1292.98  119.141   27.586   4.7693   24.264   5.9867   33.358   7.8905  1184.30  165.999  1373.78  188.392 -189.4814 251.0917 
1 1 1   36    5    9 o  338.637  156.657  -2.4371   3.9191  -6.7680   5.2019   3.2484   5.9601  337.728  163.055  532.967  220.065 -195.2386 273.8897 
1 1 1   36    5   11 o  626.208  186.889   7.2156   3.9433   11.020   4.7669  -1.0309   7.0179  766.162  197.460  477.704  216.692 288.4582 293.1653 
1 1 1   36    5   13 o  617.265  191.475   7.1376   4.0861   5.9763   5.0115   9.4410   7.0577  578.018  211.782  685.270  251.289 -107.2513 328.6304 
1 1 1   36    5   15 o  455.763  178.128   3.0088   3.6830   9.6008   4.2737 -16.0155   7.2602  707.887  189.185  332.568  166.365 375.3195 251.9293 
1 1 1   36    5   17 o  379.561  155.790   1.4906   2.9646   4.8740   4.2372  -1.7537   4.1492  522.497  194.148  352.192  162.316 170.3050 253.0612 
1 1 1   36    5   19 o  278.372  130.345  -2.0967   2.8452  -3.0318   4.0753  -1.2075   3.9741  324.581  153.225  351.429  160.810 -26.84854 222.1209 
1 1 1   36    5   21 o  296.281  136.823  -1.4372   2.9702   0.8216   4.4196  -3.2977   4.0111  403.930  178.333  314.283  149.435 89.64713 232.6658 
1 1 1   36    5   23 o  403.329  165.422   2.2780   3.3393   4.7249   4.8906   0.1409   4.5707  497.986  201.716  387.907  175.519 110.0791 267.3875 
1 1 1   36    6    0 o  811.080  180.080   11.441   4.4543   15.010   6.1991   7.6319   6.4046  913.393  219.479  676.327  240.509 237.0662 325.6003 
1 1 1   36    6    2 o  1122.23  128.434   20.772   4.4319   19.003   5.5641   23.841   7.3302  1050.61  175.313  1158.45  209.803 -107.8389 273.4084 
1 1 1   36    6    4 o  1032.53  167.127   18.343   5.2188   18.343   5.2188   0.0000   0.0000  1032.53  167.127  ?   ?  0.000000 167.1274 
1 1 1   36    6    6 o  908.236  189.159   14.755   5.2048   14.755   5.2048   0.0000   0.0000  908.236  189.159  ?   ?  0.000000 189.1589 
1 1 1   36    6    8 o  1476.77  145.978   36.949   6.6618   36.949   6.6618   0.0000   0.0000  1476.77  145.978  ?   ?  0.000000 145.9777 
1 1 1   36    6   10 o  459.831  195.507   1.4475   4.9197   1.4475   4.9197   0.0000   0.0000  459.831  195.507  ?   ?  0.000000 195.5071 
1 1 1   36    6   12 o  453.010  190.464   1.7677   4.5848   1.7677   4.5848   0.0000   0.0000  453.010  190.464  ?   ?  0.000000 190.4642 
1 1 1   36    6   14 o  764.234  215.154   11.580   5.3669   11.580   5.3669   0.0000   0.0000  764.234  215.154  ?   ?  0.000000 215.1537 
1 1 1   36    6   16 o  780.211  162.677   11.145   3.8455   12.753   5.4001   9.4897   5.4775  796.461  212.568  680.717  222.892 115.7437 308.0031 
1 1 1   36    6   18 o  394.302  158.673   1.9207   3.0048  -3.3480   4.1472   7.7425   4.3595  324.796  153.704  622.987  198.414 -298.1908 250.9840 
1 1 1   36    6   20 o  293.257  135.092  -1.3965   2.8695  -0.7371   3.7236  -2.3606   4.5028  348.582  158.010  351.615  164.428 -3.033142 228.0434 
1 1 1   36    6   22 o  544.513  177.183   5.9343   3.4633   0.2457   4.4625   14.550   5.4919  390.693  175.399  817.701  212.534 -427.0081 275.5641 
1 1 1   36    7    1 o  736.777  187.378   9.5728   4.3328   12.567   5.9096   6.0919   6.3715  830.935  222.635  629.992  237.287 200.9429 325.3792 
1 1 1   36    7    3 o  314.607  142.775  -1.4561   3.0511  -0.1083   3.5127  -5.5970   6.1572  372.364  161.814  397.556  187.876 -25.19254 247.9541 
1 1 1   36    7    5 o  831.457  194.502   12.451   4.9737   12.451   4.9737   0.0000   0.0000  831.457  194.502  ?   ?  0.000000 194.5021 
1 1 1   36    7    7 o  726.885  231.980   9.9596   5.9570   9.9596   5.9570   0.0000   0.0000  726.885  231.980  ?   ?  0.000000 231.9803 
1 1 1   36    7    9 o  865.289  187.064   13.595   4.9207   13.595   4.9207   0.0000   0.0000  865.289  187.064  ?   ?  0.000000 187.0644 
1 1 1   36    7   11 o  612.660  204.403   6.8878   4.5986   6.8878   4.5986   0.0000   0.0000  612.660  204.403  ?   ?  0.000000 204.4034 
1 1 1   36    7   13 f  1142.02  173.918   23.481   6.0228   23.481   6.0228   0.0000   0.0000  1142.02  173.918  ?   ?  0.000000 173.9180 
1 1 1   36    7   15 o  577.203  210.962   6.1270   4.9683   6.1270   4.9683   0.0000   0.0000  577.203  210.962  ?   ?  0.000000 210.9622 
1 1 1   36    7   17 o  273.850  131.006  -3.5724   3.1816  -6.2634   4.6987  -1.2938   4.3237  313.257  152.141  368.793  168.364 -55.53641 226.9211 
1 1 1   36    7   19 o  497.585  173.650   4.5257   3.3268   1.2710   5.0037   7.1045   4.4538  438.316  191.744  595.288  201.151 -156.9721 277.8986 
1 1 1   36    7   21 o  374.925  154.178   1.5999   2.9103   6.4624   3.9998  -3.8704   4.2425  565.829  190.626  316.988  151.542 248.8409 243.5226 
1 1 1   36    8    0 o  423.594  169.019   1.8136   3.3783   4.2698   4.2265  -2.5327   5.6222  533.197  194.621  421.464  192.246 111.7323 273.5618 
1 1 1   36    8    2 o  608.862  179.882   6.4561   3.6673   3.3401   4.4330   13.212   6.5274  506.353  196.109  842.260  237.332 -335.9077 307.8727 
1 1 1   36    8    4 o  742.591  178.656   9.7648   4.1036   9.6891   4.9731   9.9264   7.2645  729.809  207.689  734.921  256.596 -5.111938 330.1156 
1 1 1   36    8    6 o  631.456  203.770   7.1153   4.5866   7.1153   4.5866   0.0000   0.0000  631.456  203.770  ?   ?  0.000000 203.7703 
1 1 1   36    8    8 o  1211.44  153.289   25.140   5.6846   25.140   5.6846   0.0000   0.0000  1211.44  153.289  ?   ?  0.000000 153.2887 
1 1 1   36    8   10 o  513.841  182.790   4.3612   3.6997   3.4506   4.5123   6.2292   6.4627  500.731  196.738  612.252  236.880 -111.5214 307.9248 
1 1 1   36    8   12 o  535.961  182.355   5.0294   3.6606   1.7645   4.2407   14.575   7.2511  442.278  184.366  838.290  254.166 -396.0116 313.9926 
1 1 1   36    8   14 o  324.049  149.222  -1.8532   3.4969   1.8859   3.9150 -16.6104   7.7777  431.458  178.271  348.103  173.846 83.35501 249.0038 
1 1 1   36    8   16 o  276.540  131.109  -2.9962   3.0447   2.8712   3.9838 -11.2366   4.7212  458.674  183.363  269.204  134.592 189.4700 227.4575 
1 1 1   36    8   18 o  548.958  180.560   5.6808   3.5930   7.7478   5.0807   3.6129   5.0818  619.611  214.689  498.367  204.195 121.2435 296.2888 
1 1 1   36    8   20 o  565.111  182.372   6.2438   3.6738   2.5745   5.2846   9.6758   5.1109  470.498  201.396  674.495  214.835 -203.9969 294.4732 
1 1 1   36    9    1 o  1039.37  113.420   17.666   3.6314   16.973   5.5296   18.191   4.8152  985.080  186.090  1037.71  152.762 -52.63220 240.7608 
1 1 1   36    9    3 o  317.510  139.376  -0.4061   2.6639  -2.1870   4.1460   0.8460   3.4765  358.526  164.128  395.927  166.126 -37.40030 233.5293 
1 1 1   36    9    5 o  624.464  152.306   6.7758   2.9515   14.417   4.4615   0.8295   3.9358  913.083  161.978  414.167  175.423 498.9159 238.7682 
1 1 1   36    9    7 o  488.920  179.122   3.6496   3.5849   1.5206   4.3501   8.1554   6.3285  446.603  186.497  672.174  239.072 -225.5711 303.2105 
1 1 1   36    9    9 o  571.645  202.133   5.5955   4.5176   5.5955   4.5176   0.0000   0.0000  571.645  202.133  ?   ?  0.000000 202.1335 
1 1 1   36    9   11 o  345.673  154.678  -0.8281   3.4403   3.6495   4.0850 -11.7506   6.3801  495.392  189.180  337.182  166.484 158.2103 252.0043 
1 1 1   36    9   13 o  539.424  206.266   4.6963   4.8602   3.4326   5.9751   7.1673   8.3551  528.840  219.512  644.622  262.708 -115.7827 342.3461 
1 1 1   36    9   15 o  386.130  166.155   0.6364   3.6313   2.0087   3.9631  -6.5441   9.0654  435.513  179.601  461.337  220.812 -25.82437 284.6304 
1 1 1   36    9   17 o  689.005  172.469   8.8968   3.7123   7.9505   4.5135   10.875   6.5264  636.469  201.801  712.399  243.483 -75.92987 316.2400 
1 1 1   36    9   19 o  229.485  113.951  -6.7972   3.1491  -5.6988   4.0171  -8.5483   5.0723  286.938  139.660  304.022  149.796 -17.08392 204.8019 
1 1 1   36   10    0 o  624.121  168.318   6.7678   3.3647   6.0257   4.4162   7.7947   5.1949  597.485  200.308  666.437  217.011 -68.95154 295.3255 
1 1 1   36   10    2 o  422.741  161.318   2.2838   2.9690  -4.6432   5.7838   4.7622   3.4596  394.585  185.104  534.858  177.237 -140.2729 256.2743 
1 1 1   36   10    4 o  733.211  157.024   9.3143   3.4964   10.785   6.1737   8.6198   4.2423  760.287  235.278  693.893  189.778 66.39459 302.2771 
1 1 1   36   10    6 o  220.430  107.493  -4.1834   2.4121   0.8798   3.3975  -9.3295   3.4252  391.516  164.250  225.406  112.980 166.1097 199.3557 
1 1 1   36   10    8 f  489.356  202.201   2.3465   5.0368   4.9040   7.7016   0.4350   6.6582  609.090  250.679  498.922  219.645 110.1676 333.2926 
1 1 1   36   10   10 o  304.124  146.900  -5.7818   4.2343  -5.7818   4.2343   0.0000   0.0000  304.124  146.900  ?   ?  0.000000 146.9002 
1 1 1   36   10   12 o  308.909  145.463  -3.2004   3.6310  -6.5678   4.1132   8.6894   7.7289  287.482  140.230  679.107  260.008 -391.6247 295.4127 
1 1 1   36   10   14 o  661.723  209.670   8.4127   4.8730   8.4127   4.8730   0.0000   0.0000  661.723  209.670  ?   ?  0.000000 209.6697 
1 1 1   36   10   16 o  407.384  171.646   1.3097   3.7365  -0.3554   4.1474   8.4852   8.6098  383.488  170.842  659.333  267.442 -275.8457 317.3517 
1 1 1   36   10   18 o  324.686  143.712  -0.2741   2.8881   1.6509   4.0276  -2.3117   4.1437  422.759  178.171  343.042  159.519 79.71655 239.1468 
1 1 1   36   11    1 o  767.980  139.997   9.9719   3.2425   10.056   4.7792   9.9000   4.4138  748.831  200.032  746.730  188.691 2.101196 274.9856 
1 1 1   36   11    3 o  338.588  148.154  -0.3274   2.9889   5.1745   5.2673  -2.9403   3.6298  579.384  216.232  317.811  148.291 261.5721 262.1953 
1 1 1   36   11    5 o  478.211  161.358   3.7164   2.8659   3.9242   4.0572   3.5096   4.0488  512.228  190.050  498.057  188.784 14.17062 267.8779 
1 1 1   36   11    7 o  326.292  141.738  -0.1119   2.6931  -0.4131   3.7898   0.1955   3.8276  375.808  165.567  392.211  169.673 -16.40338 237.0680 
1 1 1   36   11    9 o  348.920  155.640  -0.8029   3.4539  -1.4655   3.8465   1.9548   7.8474  354.352  160.614  555.829  241.699 -201.4768 290.1987 
1 1 1   36   11   11 o  556.919  223.857   4.3190   5.9732  -1.5568   8.4904   10.077   8.4049  514.849  235.388  720.927  272.303 -206.0782 359.9395 
1 1 1   36   11   13 o  637.475  197.584   7.5730   4.3520   2.8954   4.8558   26.672   9.8119  491.035  200.214  1117.17  280.807 -626.1319 344.8743 
1 1 1   36   11   15 o  300.058  142.770  -3.7856   3.6735  -3.5904   3.9625  -4.9796   9.7984  317.829  150.357  497.163  235.559 -179.3342 279.4557 
1 1 1   36   11   17 o  438.404  180.204   2.1763   3.9737   2.1902   4.2417   2.0768   11.359  446.829  185.167  590.034  270.683 -143.2047 327.9574 
1 1 1   36   12    0 o  435.632  158.789   2.7183   2.8121  -2.4724   4.0383   7.6044   3.9181  349.013  160.585  657.970  183.340 -308.9576 243.7228 
1 1 1   36   12    2 o  508.483  160.312   4.3364   2.8515   0.7731   4.4062   6.9042   3.7404  434.511  184.890  627.559  180.607 -193.0485 258.4632 
1 1 1   36   12    4 o  371.779  155.397   0.7628   3.0243   3.3610   4.7012  -1.0715   3.9501  512.335  200.968  370.837  165.855 141.4977 260.5686 
1 1 1   36   12    6 o  449.754  161.173   3.0668   2.8814   2.9610   4.0590   3.1743   4.0911  480.138  187.181  487.831  188.545 -7.693085 265.6803 
1 1 1   36   12    8 o  474.729  161.135   3.6789   2.8582   5.6902   3.9935   1.5667   4.0925  573.103  190.446  438.523  181.816 134.5807 263.2994 
1 1 1   36   12   10 o  370.747  161.284   0.0187   3.4972  -1.1760   3.8428   5.7785   8.4375  359.939  162.075  635.964  262.137 -276.0249 308.1952 
1 1 1   36   12   12 o  402.961  169.839   1.0214   3.6601  -1.4859   3.9341   17.164   9.9823  356.514  161.920  879.565  301.122 -523.0509 341.8953 
1 1 1   36   12   14 o  379.337  168.018  -0.3530   3.9543  -0.0918   4.2880  -1.8380   10.225  399.181  175.975  544.798  252.385 -145.6176 307.6774 
1 1 1   36   12   16 o  445.381  185.310   1.9857   4.2727   0.4382   4.6635   10.076   10.663  421.748  184.788  703.674  292.759 -281.9257 346.1999 
1 1 1   36   13    1 o  546.582  167.410   5.0845   3.1348   6.3128   4.8828   4.2232   4.0888  612.477  210.565  526.979  191.567 85.49731 284.6670 
1 1 1   36   13    3 o  493.237  165.498   3.9551   3.0147   0.1997   4.2751   7.6697   4.2518  415.122  179.451  657.841  193.502 -242.7195 263.9043 
1 1 1   36   13    5 o  724.778  173.746   9.2591   3.8919   12.197   5.4899   6.2914   5.5181  815.580  212.746  615.812  222.744 199.7679 308.0191 
1 1 1   36   13    7 o  553.329  161.741   5.3131   2.9789   4.9234   4.1564   5.7247   4.2715  548.461  193.890  579.134  196.985 -30.67297 276.3993 
1 1 1   36   13    9 o  492.824  166.672   4.0123   3.0579   2.9144   4.2745   5.1631   4.3763  483.016  190.939  558.083  198.774 -75.06723 275.6241 
1 1 1   36   13   11 o  432.792  166.936   2.4634   3.2021   2.8458   4.1060   1.8699   5.1155  473.698  187.175  478.630  201.208 -4.932312 274.8076 
1 1 1   36   13   13 o  520.867  193.654   4.3286   4.2169   4.3286   4.2169   0.0000   0.0000  520.867  193.654  ?   ?  0.000000 193.6540 
1 1 1   36   13   15 f  627.964  189.300   7.3377   4.0308   7.3298   4.3212   7.3910   11.184  625.915  197.348  675.745  291.186 -49.83020 351.7605 
1 1 1   36   14    0 o  369.627  155.892   0.5334   3.0869   2.2174   4.5365  -0.9186   4.2126  478.533  194.122  388.766  172.747 89.76685 259.8549 
1 1 1   36   14    2 o  442.345  173.114   2.2852   3.4821  -0.5726   4.8705   5.2731   4.9802  424.466  187.313  579.780  211.318 -155.3139 282.3851 
1 1 1   36   14    4 o  469.439  165.192   3.4072   3.0137   7.2522   4.1486  -0.8894   4.3854  641.237  191.764  395.882  176.065 245.3559 260.3311 
1 1 1   36   14    6 o  360.691  153.903   0.3222   3.0684   3.7084   4.5624  -2.4742   4.1461  518.706  199.489  352.884  162.495 165.8214 257.2940 
1 1 1   36   14    8 o  445.113  164.736   2.8441   3.0446   4.8865   4.1612   0.4910   4.4664  547.210  193.941  427.362  184.084 119.8477 267.3950 
1 1 1   36   14   10 f  482.577  171.087   3.6915   3.2385   0.4255   4.3069   7.9404   4.9125  417.671  180.336  659.948  210.668 -242.2770 277.3119 
1 1 1   36   14   12 o  493.266  171.637   3.9981   3.2490   7.5064   4.3397  -0.4761   4.9008  640.850  197.086  419.826  186.446 221.0244 271.3024 
1 1 1   36   14   14 o  408.327  172.048   1.1124   3.7541   2.3138   3.9662  -9.2301   11.637  450.108  181.887  511.260  246.108 -61.15247 306.0263 
1 1 1   36   15    1 o  511.884  189.885   3.7811   4.0498 -15.2727   9.0513   8.5501   4.5283  414.069  203.238  694.877  198.334 -280.8083 283.9757 
1 1 1   36   15    3 o  330.800  145.829  -0.5573   2.9446   2.6217   4.0493  -4.1254   4.2898  473.137  186.219  334.328  157.637 138.8087 243.9818 
1 1 1   36   15    5 o  269.159  126.957  -2.8547   2.7873  -2.5793   3.9011  -3.1419   3.9838  339.311  156.732  333.748  155.601 5.562958 220.8549 
1 1 1   36   15    7 o  465.594  169.682   3.2097   3.2109   2.7687   4.2453   3.7992   4.9083  481.409  190.292  530.338  206.088 -48.92883 280.5052 
1 1 1   36   15    9 o  462.058  167.666   3.2098   3.1302  -2.3047   4.2592   9.6860   4.6157  360.471  165.509  730.344  197.213 -369.8724 257.4611 
1 1 1   36   15   11 f  279.849  131.051  -2.5143   2.8776  -4.4938   3.9753  -0.3353   4.1708  309.491  147.606  394.240  173.688 -84.74933 227.9362 
1 1 1   36   16    0 o  316.271  147.807  -3.1222   3.6289   0.0000   7.5483  -4.0607   4.1386  533.066  234.290  328.532  154.883 204.5344 280.8566 
1 1 1   36   16    2 o  414.529  176.685   0.5185   4.0362  -3.6984   9.0845   1.5556   4.5053  525.468  241.433  460.339  190.806 65.12933 307.7281 
1 1 1   36   16    4 o  396.371  174.184  -0.4670   4.1708   11.533   9.1568  -3.6083   4.6850  793.580  286.952  361.958  168.749 431.6215 332.8930 
1 1 1   36   16    6 o  410.581  160.202   1.9483   2.9752   1.8770   3.8753   2.0507   4.6431  443.424  179.579  475.949  195.116 -32.52499 265.1775 
1 1 1   36   16    8 f  352.414  153.754  -0.2246   3.1982  -4.3312   4.6497   3.4630   4.4061  347.565  163.951  507.163  195.766 -159.5981 255.3506 
1 1 1   36   16   10 o  416.593  165.903   1.8763   3.2492   4.5365   4.6468  -0.6686   4.5449  544.029  203.085  404.978  179.715 139.0503 271.1840 
1 1 1   36   17    1 f  365.904  168.715  -2.8791   4.4907   0.0000   0.0000  -2.8791   4.4907  ?   ?   365.904  168.715 0.000000 168.7153 
1 1 1   36   17    3 o  315.048  148.063  -3.5121   3.7295   0.0000   0.0000  -3.5121   3.7295  ?   ?   315.048  148.063 0.000000 148.0634 
1 1 1   36   17    5 o  582.864  211.089   5.3519   4.9579   0.0000   0.0000   5.3519   4.9579  ?   ?   582.864  211.089 0.000000 211.0889 
1 1 1   36   17    7 o  480.408  175.879   3.3887   3.4553  -2.3533   5.0982   8.2674   4.6993  400.402  182.805  680.755  204.214 -280.3532 274.0822 
1 1 1   36   18    0 o  237.870  114.808  -3.8852   2.5742  -4.7606   3.6257  -2.9954   3.6553  290.479  139.195  320.697  149.360 -30.21814 204.1656 
1 1 1   36   18    2 f  414.700  159.210   2.0748   2.9029   2.7685   4.1394   1.4035   4.0720  483.374  188.864  440.714  181.930 42.66037 262.2367 
1 1 1   36   18    4 o  374.729  164.764  -0.5425   3.7364   0.0000   0.0000  -0.5425   3.7364  ?   ?   374.729  164.764 0.000000 164.7643 
1 1 1   37    0    1 o  285.129  194.469  -2.6501   5.3790  -2.6501   5.3790  -2.6501   5.3790  285.129  194.469  285.129  194.469 -0.000000 0.000000 
1 1 1   37    0    3 o  538.492  241.316   7.0077   4.3385   7.0077   4.3385   7.0077   4.3385  538.492  241.316  538.492  241.316 -0.000000 0.000000 
1 1 1   37    0    5 o  500.864  244.716   6.3029   4.5349   6.3029   4.5349   6.3029   4.5349  500.864  244.716  500.864  244.716 -0.000000 0.000000 
1 1 1   37    0    7 o  244.039  165.997  -1.8051   3.8650  -1.8051   3.8650  -1.8051   3.8650  244.039  165.997  244.039  165.997 -0.000000 0.000000 
1 1 1   37    0    9 o  218.104  151.200  -2.7018   3.5781  -2.7018   3.5781  -2.7018   3.5781  218.104  151.200  218.104  151.200 -0.000000 0.000000 
1 1 1   37    0   11 o  368.532  211.185   3.1562   3.8630   3.1562   3.8630   3.1562   3.8630  368.532  211.185  368.532  211.185 -0.000000 0.000000 
1 1 1   37    0   13 o  417.940  224.883   4.4325   4.0710   4.4325   4.0710   4.4325   4.0710  417.940  224.883  417.940  224.883 -0.000000 0.000000 
1 1 1   37    0   15 o  231.390  160.513  -2.9522   4.0487  -2.9522   4.0487  -2.9522   4.0487  231.390  160.513  231.390  160.513 -0.000000 0.000000 
1 1 1   37    0   17 o  535.628  243.365   7.2416   4.4157   7.2416   4.4157   7.2416   4.4157  535.628  243.365  535.628  243.365 -0.000000 0.000000 
1 1 1   37    0   19 o  289.350  186.723   0.5124   3.9347   0.5124   3.9347   0.5124   3.9347  289.350  186.723  289.350  186.723 -0.000000 0.000000 
1 1 1   37    0   21 o  475.091  238.320   5.9744   4.3489   5.9744   4.3489   5.9744   4.3489  475.091  238.320  475.091  238.320 -0.000000 0.000000 
1 1 1   37    1    0 o  538.423  164.933   4.9228   3.0427   6.1270   4.3242   3.7420   4.2821  599.788  198.122  515.330  194.431 84.45856 277.5893 
1 1 1   37    1    2 o  504.750  178.275   4.0181   3.5131   3.4059   4.1634   5.5315   6.5464  499.049  190.890  612.181  237.974 -113.1324 305.0749 
1 1 1   37    1    4 o  211.739  104.556  -5.3397   2.5185 -10.9227   3.5136   0.5598   3.6119  217.362  109.644  392.198  167.152 -174.8358 199.9044 
1 1 1   37    1    6 o  653.828  152.674   7.4941   3.0690   7.7751   4.5309   7.2559   4.1718  651.905  201.528  632.712  192.998 19.19342 279.0376 
1 1 1   37    1    8 o  427.580  152.725   2.8390   2.5853  -2.9616   3.6774   8.5075   3.6353  315.958  148.020  686.930  169.941 -370.9727 225.3665 
1 1 1   37    1   10 o  486.670  162.750   4.0623   2.9153   1.6866   4.0185   6.7019   4.2358  431.767  179.684  602.270  195.949 -170.5035 265.8620 
1 1 1   37    1   12 o  315.999  141.057  -0.6126   2.8425   3.3234   4.0680  -4.3678   3.9735  477.468  187.043  306.067  146.414 171.4012 237.5333 
1 1 1   37    1   14 o  743.678  145.133   9.8620   3.2583   12.411   4.6576   7.4187   4.5599  805.409  188.090  616.437  203.440 188.9716 277.0659 
1 1 1   37    1   16 o  567.161  176.411   6.1307   3.4658   7.3526   5.0415   5.0356   4.7725  604.382  213.550  530.821  204.057 73.56079 295.3695 
1 1 1   37    1   18 f  407.171  161.847   2.3202   3.0869   2.9082   4.5251   1.8084   4.2216  460.711  191.114  425.071  180.926 35.64032 263.1707 
1 1 1   37    1   20 o  546.014  190.326   6.0454   3.9959   11.343   5.0117  -3.1988   6.6205  722.805  209.363  404.650  192.280 318.1550 284.2610 
1 1 1   37    1   22 o  660.974  167.585   8.7576   3.4733   10.118   5.0881   7.5708   4.7530  660.375  214.754  580.599  207.114 79.77563 298.3545 
1 1 1   37    2    1 o  356.534  147.886   0.7689   2.7092   1.5819   3.9697   0.0602   3.7066  438.167  180.111  385.987  166.975 52.17969 245.6030 
1 1 1   37    2    3 o  509.892  181.589   4.1105   3.6522   1.7201   4.3249   10.053   6.8187  453.162  187.316  734.713  248.887 -281.5503 311.4995 
1 1 1   37    2    5 o  380.737  150.413   1.5939   2.6510  -1.2768   4.0915   3.6712   3.4804  370.772  167.069  486.978  176.784 -116.2061 243.2376 
1 1 1   37    2    7 o  302.049  135.109  -0.7826   2.6223  -0.4987   3.7169  -1.0638   3.7002  367.900  162.927  354.478  159.381 13.42264 227.9201 
1 1 1   37    2    9 o  682.651  142.033   8.1355   2.9372   10.940   4.0239   4.9370   4.2971  779.210  169.726  540.927  196.424 238.2831 259.5945 
1 1 1   37    2   11 o  279.680  128.496  -1.4769   2.5729  -3.8630   4.0185   0.1807   3.3493  316.594  150.252  363.172  157.913 -46.57803 217.9729 
1 1 1   37    2   13 o  684.113  165.072   8.6055   3.4954   8.2893   5.6750   8.7988   4.4370  645.217  226.708  673.526  197.544 -28.30914 300.6990 
1 1 1   37    2   15 o  748.940  159.573   10.295   3.6276   7.6010   5.5078   12.360   4.8210  615.809  222.568  794.642  195.173 -178.8331 296.0214 
1 1 1   37    2   17 o  328.211  146.422  -0.3744   3.0580   0.0015   4.9858  -0.6011   3.8717  412.526  185.286  359.936  162.322 52.59052 246.3318 
1 1 1   37    2   19 o  343.332  152.131   0.0092   3.2450  -5.4151   5.1260   3.6368   4.1920  333.870  161.359  471.125  188.181 -137.2547 247.8884 
1 1 1   37    2   21 o  369.119  165.334   0.1335   3.9410   5.9022   5.0877  -8.5212   6.2317  534.878  209.273  337.499  166.241 197.3791 267.2665 
1 1 1   37    3    0 o  722.229  209.306   9.3907   5.0078   4.9797   7.1951   13.535   6.9743  615.286  246.263  848.383  247.335 -233.0971 349.0277 
1 1 1   37    3    2 o  1013.82  114.497   16.891   3.5710   17.912   5.1601   15.952   4.9470  1018.61  167.617  958.283  171.147 60.32312 239.5552 
1 1 1   37    3    4 o  280.628  131.391  -2.5368   2.8902   2.0492   3.4552 -13.2209   5.2739  429.730  171.100  284.177  142.103 145.5536 222.4153 
1 1 1   37    3    6 f  435.728  163.568   2.6885   3.0226  -0.6498   4.3704   5.7494   4.1848  395.106  175.739  574.427  194.978 -179.3203 262.4894 
1 1 1   37    3    8 o  977.402  119.878   15.988   3.5919   13.988   5.3649   17.612   4.8357  865.078  201.761  1003.35  159.239 -138.2715 257.0299 
1 1 1   37    3   10 o  600.139  163.211   6.5025   3.1481   4.5586   4.7125   8.0691   4.2305  533.203  203.294  656.019  193.031 -122.8162 280.3376 
1 1 1   37    3   12 o  554.464  165.182   5.5876   3.0825   6.4731   4.3683   4.7094   4.3504  588.902  199.210  527.493  196.581 61.40839 279.8728 
1 1 1   37    3   14 o  612.215  165.945   6.9577   3.2608   7.2377   4.7836   6.7146   4.4566  609.551  208.453  591.770  201.208 17.78113 289.7195 
1 1 1   37    3   16 o  613.922  196.235   7.4555   4.2613   5.0358   5.5901   10.812   6.5840  541.018  216.879  698.975  244.270 -157.9569 326.6561 
1 1 1   37    3   18 o  468.055  185.947   3.4814   4.0726   1.0009   5.3956   6.7658   6.2087  440.710  195.680  579.626  229.805 -138.9163 301.8298 
1 1 1   37    3   20 o  598.602  198.272   7.5322   4.3297   5.8411   5.3212   10.845   7.4480  540.526  213.240  657.838  254.359 -117.3120 331.9179 
1 1 1   37    3   22 o  525.369  190.767   5.7469   4.0531   8.9979   4.7599  -2.8277   7.7302  630.560  207.842  425.907  203.867 204.6537 291.1359 
1 1 1   37    4    1 o  333.638  148.083  -0.7324   3.0871  -0.4439   3.7247  -1.3654   5.5175  374.182  164.516  433.992  194.922 -59.80991 255.0691 
1 1 1   37    4    3 o  482.719  165.466   3.7653   3.0142   1.0400   3.8036   8.3659   4.9419  414.091  173.758  678.799  210.574 -264.7088 273.0080 
1 1 1   37    4    5 o  257.772  123.912  -3.9384   2.9244  -2.9593   3.9245  -5.1608   4.3852  330.944  154.342  320.891  153.586 10.05380 217.7387 
1 1 1   37    4    7 f  808.003  163.736   11.547   4.0007   15.902   5.1152   4.6856   6.4204  941.436  180.085  575.365  231.798 366.0705 293.5320 
1 1 1   37    4    9 o  916.464  152.564   14.669   4.2242   19.135   5.4582   7.9998   6.6702  1033.58  174.890  655.327  243.575 378.2521 299.8587 
1 1 1   37    4   11 o  512.279  181.291   4.4942   3.6347   3.0006   4.8206   6.4621   5.5334  489.288  199.492  597.795  221.917 -108.5070 298.4031 
1 1 1   37    4   13 o  687.421  178.545   8.8709   3.8776   12.242   5.0003   3.7857   6.1414  793.900  200.961  531.725  221.779 262.1749 299.2846 
1 1 1   37    4   15 o  420.861  177.471   1.6126   3.9996   1.6126   3.9996   0.0000   0.0000  420.861  177.471  ?   ?  0.000000 177.4706 
1 1 1   37    4   17 o  626.612  198.925   7.9083   4.3847   7.9083   4.3847   0.0000   0.0000  626.612  198.925  ?   ?  0.000000 198.9254 
1 1 1   37    4   19 o  546.723  200.355   5.9321   4.4855   5.9321   4.4855   0.0000   0.0000  546.723  200.355  ?   ?  0.000000 200.3546 
1 1 1   37    4   21 f  308.558  149.162  -4.7545   4.3869  -4.7545   4.3869   0.0000   0.0000  308.558  149.162  ?   ?  0.000000 149.1623 
1 1 1   37    5    0 o  1190.62  128.661   23.431   4.7204   24.698   5.6918   20.641   8.4479  1209.58  153.753  1037.40  260.451 172.1871 302.4480 
1 1 1   37    5    2 o  603.292  163.522   6.3625   3.1663   7.8316   4.2668   4.5621   4.7236  661.518  193.632  548.061  204.723 113.4575 281.7889 
1 1 1   37    5    4 o  477.771  164.568   3.6895   2.9832   3.9771   4.2326   3.4055   4.2054  515.804  193.572  496.656  191.383 19.14792 272.2088 
1 1 1   37    5    6 o  371.561  156.359   0.7469   3.0943   1.6156   4.2572  -0.2261   4.5054  443.807  184.840  409.604  180.486 34.20319 258.3428 
1 1 1   37    5    8 o  1237.41  122.154   25.562   4.6713   22.178   6.0960   30.377   7.2704  1112.16  181.294  1302.68  183.311 -190.5168 257.8188 
1 1 1   37    5   10 o  306.783  142.152  -2.1171   3.2462   1.4336   4.7820  -5.1520   4.4210  451.494  192.375  319.149  153.136 132.3450 245.8841 
1 1 1   37    5   12 o  910.306  193.683   15.622   5.3511   15.622   5.3511   0.0000   0.0000  910.306  193.683  ?   ?  0.000000 193.6828 
1 1 1   37    5   14 f  563.618  209.382   5.7906   4.9277   5.7906   4.9277   0.0000   0.0000  563.618  209.382  ?   ?  0.000000 209.3817 
1 1 1   37    5   16 o  458.816  188.237   2.7409   4.3256   2.7409   4.3256   0.0000   0.0000  458.816  188.237  ?   ?  0.000000 188.2370 
1 1 1   37    5   18 o  294.878  141.260  -3.9122   3.7280  -3.9122   3.7280   0.0000   0.0000  294.878  141.260  ?   ?  0.000000 141.2605 
1 1 1   37    5   20 o  464.468  190.015   3.3639   4.3921   3.3639   4.3921   0.0000   0.0000  464.468  190.015  ?   ?  0.000000 190.0147 
1 1 1   37    6    1 o  333.351  152.098  -1.8002   3.5223  -5.0684   4.1966   5.9902   6.4792  314.596  150.487  622.006  238.082 -307.4096 281.6549 
1 1 1   37    6    3 o  910.383  145.674   14.110   4.0126   10.269   5.1331   20.145   6.4342  746.319  210.521  1056.60  201.837 -310.2790 291.6460 
1 1 1   37    6    5 o  282.141  131.831  -2.4131   2.8846  -7.4792   4.0216   2.9555   4.1400  274.585  134.916  479.414  188.420 -204.8291 231.7421 
1 1 1   37    6    7 o  584.696  176.375   6.1089   3.4983   4.6260   4.8682   7.6922   5.0304  544.655  206.873  646.052  213.701 -101.3968 297.4299 
1 1 1   37    6    9 o  1205.87  123.040   24.360   4.5808   22.774   5.9915   26.592   7.1067  1129.67  175.044  1205.28  194.962 -75.60681 262.0131 
1 1 1   37    6   11 o  468.605  173.142   3.4605   3.3605   4.2328   4.7644   2.6958   4.7406  522.958  203.094  479.858  196.987 43.10010 282.9324 
1 1 1   37    6   13 o  590.712  213.746   6.5005   5.0819   6.5005   5.0819   0.0000   0.0000  590.712  213.746  ?   ?  0.000000 213.7459 
1 1 1   37    6   15 o  629.826  219.056   7.9342   5.2919   7.9342   5.2919   0.0000   0.0000  629.826  219.056  ?   ?  0.000000 219.0562 
1 1 1   37    6   17 o  493.061  199.043   3.7496   4.7445   3.7496   4.7445   0.0000   0.0000  493.061  199.043  ?   ?  0.000000 199.0433 
1 1 1   37    6   19 o  384.742  171.601   0.1222   4.1975   0.1222   4.1975   0.0000   0.0000  384.742  171.601  ?   ?  0.000000 171.6006 
1 1 1   37    7    0 o  1015.01  131.286   17.153   4.0748   15.295   6.8751   18.159   5.0592  900.829  239.576  1029.44  162.329 -128.6053 289.3916 
1 1 1   37    7    2 o  583.105  165.588   5.9416   3.1647   4.7588   4.3389   7.2861   4.6261  546.261  197.526  639.574  204.465 -93.31250 284.2931 
1 1 1   37    7    4 o  331.193  146.604  -0.5797   3.0061  -4.8732   4.2034   3.9149   4.3007  316.162  151.062  515.048  194.727 -198.8861 246.4516 
1 1 1   37    7    6 o  314.422  146.517  -2.6616   3.5251  -0.8699   4.2118  -6.8522   6.4413  383.612  171.436  387.933  185.797 -4.320648 252.8062 
1 1 1   37    7    8 o  802.016  169.143   11.493   4.1140   13.662   4.9768   6.8133   7.3108  863.782  189.236  636.234  250.280 227.5481 313.7680 
1 1 1   37    7   10 o  659.322  165.209   7.8502   3.4038   4.4603   5.0097   10.757   4.6391  536.831  208.318  757.078  194.621 -220.2474 285.0850 
1 1 1   37    7   12 o  828.362  192.191   12.932   4.8887   12.932   4.8887   0.0000   0.0000  828.362  192.191  ?   ?  0.000000 192.1907 
1 1 1   37    7   14 o  482.295  189.889   3.4440   4.2117   4.5093   5.0222   0.9187   7.7321  528.707  207.612  512.719  230.476 15.98810 310.1967 
1 1 1   37    7   16 o  569.593  196.298   6.1925   4.2448   3.2565   5.0247   13.510   7.9325  489.777  202.133  760.793  267.973 -271.0161 335.6594 
1 1 1   37    7   18 o  592.302  202.155   7.0511   4.4988  -1.9875   5.3971   27.631   8.1440  392.663  182.413  1136.68  236.513 -744.0121 298.6855 
1 1 1   37    7   20 o  396.777  171.051   1.2423   3.8629   2.0378   4.4045  -1.4085   8.0404  432.021  184.366  462.130  217.256 -30.10880 284.9399 
1 1 1   37    8    1 o  1147.06  120.158   21.682   4.2517   24.873   7.2526   20.011   5.2481  1178.79  203.868  1081.42  159.798 97.37683 259.0317 
1 1 1   37    8    3 o  297.408  137.640  -2.1325   3.0299  -2.3711   4.3670  -1.9111   4.2072  364.125  167.336  364.910  166.393 -0.7850037 235.9828 
1 1 1   37    8    5 o  574.884  172.352   5.8243   3.3481   6.6748   4.7168   4.9606   4.7532  613.632  207.005  556.550  205.862 57.08197 291.9422 
1 1 1   37    8    7 o  546.303  180.645   5.1849   3.5946   1.0150   4.6712   11.240   5.6287  443.024  189.484  766.777  221.813 -323.7534 291.7277 
1 1 1   37    8    9 o  1084.26  124.540   19.741   4.1515   17.474   5.6897   22.322   6.0710  975.407  193.121  1115.71  179.895 -140.3074 263.9276 
1 1 1   37    8   11 o  597.448  171.251   6.4975   3.3690   6.6479   4.6331   6.3288   4.9076  600.779  205.148  591.356  210.508 9.422485 293.9382 
1 1 1   37    8   13 o  364.087  160.599  -0.1671   3.5765  -1.6303   4.1670   3.9260   6.9695  360.087  164.733  553.704  233.922 -193.6171 286.1052 
1 1 1   37    8   15 o  624.921  192.575   7.5202   4.1410   8.9509   4.6760   2.3197   8.9151  673.472  204.085  553.366  248.208 120.1063 321.3371 
1 1 1   37    8   17 o  318.564  152.465  -4.3713   4.3203  -6.2463   4.8701   2.5547   9.3601  319.602  155.146  552.646  250.515 -233.0438 294.6663 
1 1 1   37    8   19 o  546.654  211.433   5.7244   5.1475   5.7244   5.1475   0.0000   0.0000  546.654  211.433  ?   ?  0.000000 211.4333 
1 1 1   37    9    0 o  902.975  123.761   13.541   3.4072   9.6321   5.3703   16.175   4.4080  725.651  218.447  976.650  148.845 -250.9987 264.3367 
1 1 1   37    9    2 o  796.324  139.522   10.769   3.3522   11.510   5.1097   10.209   4.4415  793.671  204.376  753.806  188.629 39.86523 278.1198 
1 1 1   37    9    4 o  402.292  157.091   1.9202   2.8625  -0.2419   4.4380   3.4604   3.7458  408.616  179.619  486.522  182.194 -77.90579 255.8472 
1 1 1   37    9    6 o  291.895  132.991  -1.3620   2.6807   2.1774   4.1372  -3.9234   3.5195  455.669  185.187  293.037  139.517 162.6321 231.8605 
1 1 1   37    9    8 o  358.949  154.640   0.2430   3.1529   1.0917   4.3517  -0.6949   4.5744  432.382  183.857  401.458  179.092 30.92435 256.6655 
1 1 1   37    9   10 o  404.045  165.098   1.5787   3.3107   4.7411   4.4317  -2.4153   4.9804  536.738  198.730  385.142  177.618 151.5953 266.5364 
1 1 1   37    9   12 o  337.106  153.272  -1.3532   3.5373  -2.6980   4.0231   3.2285   7.4259  335.855  156.511  553.806  237.940 -217.9509 284.8004 
1 1 1   37    9   14 o  417.515  183.663   0.3232   4.6474   0.3232   4.6474   0.0000   0.0000  417.515  183.663  ?   ?  0.000000 183.6625 
1 1 1   37    9   16 o  489.844  197.625   3.4686   4.6740   3.4686   4.6740   0.0000   0.0000  489.844  197.625  ?   ?  0.000000 197.6247 
1 1 1   37    9   18 o  424.482  181.812   1.5147   4.3117   1.5147   4.3117   0.0000   0.0000  424.482  181.812  ?   ?  0.000000 181.8125 
1 1 1   37   10    1 o  297.333  135.078  -1.3530   2.7403   5.8639   4.3525  -6.0921   3.5270  586.640  198.847  264.890  129.352 321.7499 237.2170 
1 1 1   37   10    3 o  547.589  166.639   5.1882   3.1127   1.0280   4.7711   8.2710   4.1071  451.419  192.246  678.735  187.187 -227.3159 268.3232 
1 1 1   37   10    5 f  303.883  135.599  -0.7609   2.6243  -3.2223   3.7997   1.4839   3.6287  320.249  150.169  418.089  172.070 -97.83990 228.3823 
1 1 1   37   10    7 o  350.641  149.317   0.4082   2.8779   0.7026   4.4672   0.1993   3.7627  428.870  184.413  387.557  167.943 41.31287 249.4261 
1 1 1   37   10    9 o  411.044  165.335   1.8142   3.2608  -3.4279   4.6750   6.7806   4.5504  357.368  167.253  611.214  203.303 -253.8465 263.2592 
1 1 1   37   10   11 o  248.893  120.010  -3.8889   2.7957  -1.7653   4.1519  -5.6503   3.7813  359.879  164.563  281.171  136.540 78.70801 213.8319 
1 1 1   37   10   13 o  468.758  182.025   3.1685   3.8269   4.6236   4.2702  -2.7679   8.6253  525.743  194.992  492.775  229.480 32.96854 301.1361 
1 1 1   37   10   15 o  451.384  190.736   1.8835   4.6353   1.8835   4.6353   0.0000   0.0000  451.384  190.736  ?   ?  0.000000 190.7361 
1 1 1   37   10   17 o  424.703  181.035   1.4832   4.2380  -1.2118   4.6417   14.987   10.390  382.473  174.545  764.394  299.068 -381.9209 346.2768 
1 1 1   37   11    0 o  454.678  166.094   3.0223   3.0791   0.1524   4.7232   5.1435   4.0606  431.861  187.652  557.373  191.998 -125.5122 268.4703 
1 1 1   37   11    2 f  461.482  161.830   3.3253   2.8910  -3.7290   4.7483   7.4806   3.6443  360.637  168.712  650.351  175.078 -289.7148 243.1377 
1 1 1   37   11    4 o  338.368  145.139   0.1696   2.7549  -1.0964   4.0583   1.2516   3.7518  373.936  167.613  417.333  173.643 -43.39734 241.3427 
1 1 1   37   11    6 o  406.626  156.583   2.0995   2.8136   2.2433   4.0403   1.9641   3.9204  455.272  183.718  442.891  180.163 12.38150 257.3149 
1 1 1   37   11    8 o  696.548  153.729   8.5090   3.2631   0.3826   4.5951   16.776   4.6347  426.166  185.133  984.251  155.552 -558.0844 241.8070 
1 1 1   37   11   10 o  296.837  137.591  -2.0995   3.0451  -4.2979   4.3569  -0.0000   4.2577  329.409  156.368  402.241  176.395 -72.83231 235.7247 
1 1 1   37   11   12 o  481.990  171.977   3.8084   3.2773   2.6784   4.6666   4.9082   4.6035  479.393  195.962  543.213  202.264 -63.82068 281.6239 
1 1 1   37   11   14 o  401.565  172.697   0.7577   3.9186  -0.2589   4.3439   5.1999   9.0805  395.198  175.520  610.671  262.762 -215.4733 315.9920 
1 1 1   37   11   16 o  495.619  189.709   3.9682   4.1139   7.3380   4.5649 -10.6019   9.4919  615.204  203.577  433.925  211.962 181.2793 293.8903 
1 1 1   37   12    1 o  433.418  161.079   2.6203   2.9169   10.121   4.7403  -1.9511   3.7005  748.842  198.827  339.959  155.417 408.8834 252.3626 
1 1 1   37   12    3 f  604.698  178.704   6.4340   3.6189  -2.4791   6.2336   10.965   4.4446  441.137  201.689  784.003  184.178 -342.8661 273.1300 
1 1 1   37   12    5 o  463.511  165.366   3.3201   3.0301  -0.0524   4.2656   6.7554   4.3051  405.903  177.316  617.014  197.241 -211.1118 265.2262 
1 1 1   37   12    7 f  523.134  167.949   4.6912   3.1188   1.8866   4.2817   7.8612   4.5520  453.263  186.771  656.828  201.823 -203.5655 274.9836 
1 1 1   37   12    9 o  488.035  167.411   3.9404   3.0857   3.7892   4.3041   4.1003   4.4260  507.824  194.125  520.395  197.351 -12.57144 276.8250 
1 1 1   37   12   11 o  276.680  129.149  -2.2222   2.7575  -5.7139   3.8575   1.4264   3.9433  284.980  138.279  424.564  177.450 -139.5845 224.9659 
1 1 1   37   12   13 o  309.540  144.636  -2.6209   3.4725  -3.1646   8.9442  -2.5244   3.7681  499.185  232.872  326.715  151.990 172.4704 278.0835 
1 1 1   37   13    0 o  454.591  180.130   2.3276   3.8126   9.2768   8.2133   0.4190   4.3044  727.935  270.340  421.433  181.114 306.5016 325.4009 
1 1 1   37   13    2 o  875.595  163.872   13.255   4.3278   24.117   8.8987   9.8902   4.9530  1121.43  258.691  738.021  206.309 383.4041 330.8839 
1 1 1   37   13    4 o  491.353  172.717   3.8249   3.2940   9.5735   4.9913  -0.6105   4.3843  723.877  208.724  400.004  177.057 323.8730 273.7059 
1 1 1   37   13    6 o  956.522  122.606   15.215   3.5877   15.498   4.9772   14.909   5.1761  938.354  175.857  913.474  187.252 24.88049 256.8831 
1 1 1   37   13    8 o  636.931  165.016   7.1875   3.3177   6.4653   4.6492   7.9369   4.7358  605.632  205.511  659.055  206.415 -53.42242 291.2764 
1 1 1   37   13   10 o  521.301  170.042   4.6814   3.1890   0.4982   4.5101   8.8641   4.5098  424.987  184.016  692.112  198.062 -267.1249 270.3522 
1 1 1   37   13   12 o  431.589  164.511   2.5987   3.0855   0.1296   4.2346   5.3934   4.5051  403.358  176.424  560.109  201.446 -156.7519 267.7796 
1 1 1   37   14    1 o  529.112  190.795   4.3432   4.0441   19.250   8.9569   0.5261   4.5324  989.809  277.700  433.615  186.084 556.1939 334.2821 
1 1 1   37   14    3 o  434.744  177.379   1.6947   3.8145  -3.6298   8.8872   2.8972   4.2234  514.115  237.156  484.986  190.404 29.12869 304.1332 
1 1 1   37   14    5 o  599.066  174.663   6.2970   3.4779   9.1891   5.2543   4.0419   4.6397  708.783  216.676  529.892  201.793 178.8909 296.0890 
1 1 1   37   14    7 o  319.757  143.540  -1.0105   2.9879  -2.6471   4.1900   0.6827   4.2619  350.607  162.120  423.041  180.966 -72.43423 242.9639 
1 1 1   37   14    9 o  330.735  146.209  -0.5209   2.9804  -6.8852   4.2313   5.7454   4.1987  291.802  142.314  575.614  195.300 -283.8118 241.6509 
1 1 1   37   14   11 o  342.747  149.719  -0.1457   3.0408  -1.1818   4.0295   1.2248   4.6344  367.790  165.755  446.042  189.702 -78.25241 251.9156 
1 1 1   37   15    0 o  411.219  173.704   0.7560   3.8423  -2.8308   7.9309   1.8560   4.3921  499.061  227.909  462.918  189.771 36.14301 296.5731 
1 1 1   37   15    2 o  445.136  182.663   1.6695   4.0743 -15.5181   9.3291   5.7203   4.5290  419.222  205.882  586.603  202.729 -167.3816 288.9403 
1 1 1   37   15    4 o  507.594  191.756   3.6530   4.1684   1.4604   9.1871   4.2214   4.6776  592.127  259.403  538.158  203.172 53.96893 329.4978 
1 1 1   37   15    6 o  692.400  208.951   8.6999   4.9091   0.0000   0.0000   8.6999   4.9091  ?   ?   692.400  208.951 0.000000 208.9507 
1 1 1   37   15    8 o  341.827  152.374  -0.8242   3.3045  -8.9670   4.7871   6.5880   4.5672  297.764  146.482  611.856  203.685 -314.0921 250.8873 
1 1 1   37   16    1 o  401.339  164.983   1.1959   3.3311   5.1544   4.9971  -1.9699   4.4688  577.252  211.482  379.757  172.514 197.4949 272.9209 
1 1 1   37   16    3 o  394.861  175.717  -0.9415   4.3746   0.0000   0.0000  -0.9415   4.3746  ?   ?   394.861  175.717 0.000000 175.7170 
1 1 1   37   16    5 o  527.264  209.623   3.3995   5.1792   0.0000   0.0000   3.3995   5.1792  ?   ?   527.264  209.623 0.000000 209.6229 
1 1 1   37   17    0 o  308.728  137.781  -0.8846   2.7104  -5.0331   3.3279   7.2898   4.6714  268.523  129.835  648.034  205.283 -379.5120 242.8952 
1 1 1   37   17    2 o  352.262  155.167  -0.5659   3.3273   3.3090   4.8258  -4.0773   4.5938  518.194  203.503  350.588  164.625 167.6066 261.7537 
1 1 1   38    0    0 o  376.708  235.377   2.0614   5.6892   2.0614   5.6892   2.0614   5.6892  376.708  235.377  376.708  235.377 -0.000000 0.000000 
1 1 1   38    0    2 o  375.329  243.987   0.6866   6.8861   0.6866   6.8861   0.6866   6.8861  375.329  243.987  375.329  243.987 -0.000000 0.000000 
1 1 1   38    0    4 o  586.466  248.019   8.2302   4.6061   8.2302   4.6061   8.2302   4.6061  586.466  248.019  586.466  248.019 -0.000000 0.000000 
1 1 1   38    0    6 o  376.905  219.274   3.2065   4.2637   3.2065   4.2637   3.2065   4.2637  376.905  219.274  376.905  219.274 -0.000000 0.000000 
1 1 1   38    0    8 o  928.263  190.801   15.841   4.8995   15.841   4.8995   15.841   4.8995  928.263  190.801  928.263  190.801 -0.000000 0.000000 
1 1 1   38    0   10 o  396.276  219.960   3.8870   4.0227   3.8870   4.0227   3.8870   4.0227  396.276  219.960  396.276  219.960 -0.000000 0.000000 
1 1 1   38    0   12 o  441.949  236.758   5.0662   4.4936   5.0662   4.4936   5.0662   4.4936  441.949  236.758  441.949  236.758 -0.000000 0.000000 
1 1 1   38    0   14 o  282.125  187.346  -0.5625   4.4028  -0.5625   4.4028  -0.5625   4.4028  282.125  187.346  282.125  187.346 -0.000000 0.000000 
1 1 1   38    0   16 o  173.001  125.458  -7.1219   3.7021  -7.1219   3.7021  -7.1219   3.7021  173.001  125.458  173.001  125.458 -0.000000 0.000000 
1 1 1   38    0   18 o  453.597  241.266   5.4939   4.6348   5.4939   4.6348   5.4939   4.6348  453.597  241.266  453.597  241.266 -0.000000 0.000000 
1 1 1   38    0   20 o  456.941  240.184   5.6193   4.5524   5.6193   4.5524   5.6193   4.5524  456.941  240.184  456.941  240.184 -0.000000 0.000000 
1 1 1   38    1    1 o  618.852  195.384   6.8316   4.2345   6.8316   4.2345   0.0000   0.0000  618.852  195.384  ?   ?  0.000000 195.3843 
1 1 1   38    1    3 o  571.878  184.666   5.7567   3.7664   8.9315   4.4479  -2.2885   7.0805  697.188  195.724  467.708  214.248 229.4794 290.1902 
1 1 1   38    1    5 o  669.743  174.816   8.1203   3.7053   11.053   4.6415   2.9673   6.1523  773.455  192.431  529.329  221.479 244.1261 293.3989 
1 1 1   38    1    7 o  388.686  160.241   1.3079   3.1536   2.8294   4.0936  -0.9132   4.9460  468.241  186.299  409.384  184.150 58.85681 261.9513 
1 1 1   38    1    9 o  766.005  141.816   10.258   3.2762   14.680   4.5770   5.6102   4.6918  902.493  168.151  563.629  205.157 338.8641 265.2624 
1 1 1   38    1   11 o  597.949  167.300   6.5916   3.2555   5.9207   4.7894   7.1678   4.4386  569.515  207.283  612.149  200.655 -42.63434 288.4939 
1 1 1   38    1   13 o  309.463  140.629  -1.0932   2.9728   3.7154   4.2525  -5.6895   4.1575  487.898  191.207  295.542  143.439 192.3563 239.0292 
1 1 1   38    1   15 o  370.188  155.499   1.1329   3.0514   6.8306   4.4158  -4.0745   4.2215  587.858  200.282  317.410  151.583 270.4483 251.1778 
1 1 1   38    1   17 o  409.672  161.451   2.4346   3.0475  -4.6332   4.5496   8.1864   4.1042  321.501  154.549  636.008  190.859 -314.5068 245.5858 
1 1 1   38    1   19 o  501.608  174.372   4.8650   3.3530   4.0807   5.1658   5.4359   4.4076  492.421  204.226  523.628  197.332 -31.20685 283.9862 
1 1 1   38    2    0 o  382.105  171.779  -1.2406   4.2964  -5.0955   5.6702   3.9560   6.5835  380.955  180.111  570.779  232.972 -189.8244 294.4757 
1 1 1   38    2    2 o  765.247  171.245   10.404   4.0009   11.697   4.7898   7.4178   7.2769  800.996  193.205  659.094  252.305 141.9022 317.7824 
1 1 1   38    2    4 o  524.165  179.908   4.6509   3.5638   7.8304   4.4035  -1.3851   6.0672  652.646  198.110  446.154  202.017 206.4912 282.9460 
1 1 1   38    2    6 o  733.408  164.857   9.6240   3.6938   12.427   4.7910   5.5166   5.8002  820.627  190.171  581.990  224.622 238.6374 294.3123 
1 1 1   38    2    8 o  960.361  139.418   15.886   4.0700   15.701   5.0117   16.242   6.9747  928.865  178.802  892.894  242.979 35.97125 301.6770 
1 1 1   38    2   10 o  303.632  139.854  -1.7232   3.0742  -1.0065   3.7477  -3.1972   5.3748  353.282  159.476  384.624  179.795 -31.34183 240.3303 
1 1 1   38    2   12 o  346.178  155.020  -0.6202   3.4624   1.7201   4.4743  -4.1137   5.4667  441.121  186.951  372.618  176.374 68.50198 257.0185 
1 1 1   38    2   14 o  652.123  189.314   8.3080   4.0937   5.3351   5.4518   12.151   6.1985  549.406  216.128  749.609  236.361 -200.2036 320.2779 
1 1 1   38    2   16 o  756.010  183.601   11.176   4.3030  -0.2169   5.7381   25.814   6.5043  430.866  195.636  1158.67  185.538 -727.8033 269.6251 
1 1 1   38    2   18 o  297.837  142.846  -3.9256   3.8372  -5.1829   5.5629  -2.7844   5.2998  352.012  169.623  372.599  175.540 -20.58688 244.1027 
1 1 1   38    2   20 o  550.149  194.156   6.3420   4.1662   9.2908   5.7325   3.0409   6.0653  627.504  227.021  478.368  210.139 149.1359 309.3493 
1 1 1   38    3    1 o  319.514  146.535  -1.8722   3.3255   4.5619   4.0545 -15.0982   5.8131  531.876  191.126  293.401  147.079 238.4747 241.1668 
1 1 1   38    3    3 o  420.390  175.828   1.2722   3.8753   5.1312   5.4129  -2.7860   5.5508  571.205  217.855  405.997  187.333 165.2081 287.3229 
1 1 1   38    3    5 o  1115.45  132.221   21.004   4.5282   20.713   5.6493   21.528   7.5732  1081.40  172.645  1052.40  235.676 28.99438 292.1464 
1 1 1   38    3    7 o  801.692  161.759   11.441   3.9206   16.119   5.2063   5.3136   5.9587  940.561  183.364  576.735  226.247 363.8267 291.2221 
1 1 1   38    3    9 o  790.388  169.613   11.350   4.0721   12.526   5.1839   9.4556   6.5803  807.119  204.788  687.267  243.853 119.8518 318.4369 
1 1 1   38    3   11 f  415.332  170.217   1.8382   3.5324   2.4617   4.5779   0.9207   5.5536  464.999  192.504  458.650  201.287 6.349396 278.5215 
1 1 1   38    3   13 o  438.083  173.938   2.6299   3.5616   5.6724   4.5716  -2.0686   5.6811  554.883  202.430  407.522  188.555 147.3613 276.6427 
1 1 1   38    3   15 o  359.824  160.098  -0.1967   3.6299  -2.3757   4.8715   2.5233   5.4429  369.905  172.327  478.437  204.581 -108.5320 267.4886 
1 1 1   38    3   17 o  447.390  184.534   2.7066   4.1848   0.7559   5.6635   5.0525   6.2106  442.556  198.215  538.422  223.668 -95.86612 298.8586 
1 1 1   38    3   19 o  363.851  163.279  -0.0926   3.8628  -1.4747   5.6116   1.1521   5.3253  398.246  185.338  433.588  193.343 -35.34177 267.8276 
1 1 1   38    4    0 o  370.479  160.272   0.0943   3.4153  -1.5737   3.9591   4.9457   6.7519  359.186  162.864  596.216  238.584 -237.0292 288.8715 
1 1 1   38    4    2 o  200.204   99.810  -6.2813   2.5169  -2.2059   3.6878  -9.8349   3.4436  332.036  153.026  221.758  111.436 110.2779 189.3012 
1 1 1   38    4    4 o  359.035  153.829   0.3460   3.0884   3.2300   4.3589  -2.5611   4.3764  491.590  193.296  358.564  165.759 133.0258 254.6355 
1 1 1   38    4    6 o  503.188  179.062   4.1764   3.5506   3.3312   4.3870   5.7816   6.0453  492.753  193.866  592.842  229.177 -100.0886 300.1766 
1 1 1   38    4    8 o  374.841  162.938   0.2060   3.5638   1.1050   4.5948  -1.1514   5.6461  437.359  187.516  429.807  194.723 7.551300 270.3322 
1 1 1   38    4   10 o  315.859  148.023  -2.8184   3.6826   0.6163   5.1324  -6.4630   5.2870  441.713  193.688  339.817  164.143 101.8957 253.8855 
1 1 1   38    4   12 o  695.231  176.381   9.0681   3.8458   10.754   4.9344   6.4590   6.1381  737.945  205.793  593.698  230.532 144.2476 309.0237 
1 1 1   38    4   14 o  322.059  147.658  -1.4561   3.3732  -3.5964   4.3305   1.8464   5.3793  330.779  156.689  465.862  201.340 -135.0840 255.1261 
1 1 1   38    4   16 o  396.606  167.260   1.4323   3.5532  -1.0747   4.6783   4.8498   5.4622  382.425  174.799  530.285  213.744 -147.8602 276.1183 
1 1 1   38    4   18 o  545.330  186.081   5.8836   3.8118   6.5932   4.9546   4.8543   5.9669  566.794  210.074  526.678  219.049 40.11584 303.5025 
1 1 1   38    5    1 o  896.743  131.580   13.540   3.5848   17.230   5.1156   9.9797   5.0249  991.871  170.878  734.089  208.720 257.7827 269.7467 
1 1 1   38    5    3 o  455.125  157.967   3.3216   2.7512  -0.4771   3.9651   6.8484   3.8206  380.911  168.504  617.021  183.915 -236.1109 249.4359 
1 1 1   38    5    5 o  785.637  153.441   10.802   3.6393   9.7330   5.0840   11.924   5.2119  717.294  211.762  795.666  207.161 -78.37238 296.2412 
1 1 1   38    5    7 o  598.098  156.881   6.3832   2.9745   9.2453   4.7837   4.5791   3.7980  698.197  205.213  521.180  185.224 177.0170 276.4424 
1 1 1   38    5    9 o  659.938  177.260   8.0429   3.7407   7.5726   5.9401   8.3520   4.8154  633.637  230.812  660.031  208.353 -26.39429 310.9423 
1 1 1   38    5   11 o  409.621  159.582   2.2472   2.9487   4.2145   4.7625   1.0241   3.7551  518.153  202.545  400.941  170.646 117.2116 264.8483 
1 1 1   38    5   13 o  537.977  190.267   5.2665   4.0030   5.9098   4.8949   3.9675   6.9555  565.910  208.990  545.701  232.252 20.20935 312.4384 
1 1 1   38    5   15 o  669.364  160.555   8.3277   3.3219   11.904   4.5718   4.3279   4.8349  781.745  188.878  512.118  202.872 269.6269 277.1859 
1 1 1   38    5   17 o  258.238  123.506  -3.1180   2.8240   1.9982   3.8921  -8.8056   4.1037  421.138  176.181  257.768  128.336 163.3704 217.9674 
1 1 1   38    5   19 o  300.514  139.098  -1.5285   3.0960   2.1430   4.4101  -5.0963   4.3474  432.720  184.569  304.540  147.537 128.1800 236.2900 
1 1 1   38    6    0 o  774.888  140.421   10.249   3.2817   17.480   4.9785   4.6929   4.3639  1004.25  163.983  542.656  197.809 461.5963 256.9410 
1 1 1   38    6    2 o  212.020  105.154  -6.0077   2.6507  -0.2602   3.7441 -11.7831   3.7532  376.291  165.205  223.105  112.635 153.1862 199.9482 
1 1 1   38    6    4 o  461.778  158.800   3.4707   2.7772  -0.7261   4.1477   6.8815   3.7392  383.141  170.756  617.752  181.391 -234.6111 249.1189 
1 1 1   38    6    6 o  682.568  153.319   8.2240   3.1968   9.7537   4.8497   7.0486   4.2512  719.062  205.257  620.098  195.767 98.96332 283.6460 
1 1 1   38    6    8 o  545.170  169.672   5.3059   3.2056  -5.7270   4.9956   13.028   4.1795  338.229  162.422  855.887  161.880 -517.6581 229.3170 
1 1 1   38    6   10 o  612.470  182.670   6.9725   3.7682   5.3743   5.3081   8.5962   5.3501  562.948  215.489  663.383  220.434 -100.4358 308.2641 
1 1 1   38    6   12 o  651.420  166.702   7.8268   3.4144   12.731   5.4947   4.7418   4.3580  798.757  214.958  526.422  196.641 272.3353 291.3324 
1 1 1   38    6   14 o  713.378  157.183   9.3037   3.4164   11.354   5.3026   7.8489   4.4670  745.942  215.148  631.217  200.826 114.7248 294.3125 
1 1 1   38    6   16 o  715.257  155.633   9.4390   3.3865   19.354   5.4343   3.1438   4.3302  1011.03  178.165  467.217  189.613 543.8160 260.1838 
1 1 1   38    6   18 o  489.537  168.533   4.4623   3.1285   0.0227   4.6633   8.0959   4.2188  398.074  178.961  628.407  194.497 -230.3329 264.3031 
1 1 1   38    7    1 o  428.465  165.314   2.3577   3.1409  -2.3868   4.5507   6.6739   4.3404  371.589  170.785  612.619  198.283 -241.0299 261.6941 
1 1 1   38    7    3 o  276.902  130.305  -2.7388   2.9048  -0.8968   4.2997  -4.2854   3.9399  387.190  173.113  310.177  147.660 77.01291 227.5336 
1 1 1   38    7    5 o  469.845  168.402   3.4937   3.1458   1.2540   4.5118   5.6125   4.3884  442.282  187.605  569.305  199.397 -127.0228 273.7788 
1 1 1   38    7    7 o  620.528  187.290   7.0614   3.9438   7.2190   5.0171   6.8066   6.3802  625.516  213.482  622.737  236.758 2.778381 318.7925 
1 1 1   38    7    9 o  846.017  151.127   12.577   3.8566   13.803   5.6062   11.475   5.3136  845.258  212.147  768.594  213.276 76.66461 300.8206 
1 1 1   38    7   11 o  401.350  158.626   2.0007   2.9496   2.1859   4.3395   1.8416   4.0213  452.717  187.423  433.396  180.004 19.32059 259.8627 
1 1 1   38    7   13 f  442.333  166.232   3.0292   3.1235   2.7720   5.0676   3.1867   3.9666  483.417  201.531  467.989  184.273 15.42813 273.0770 
1 1 1   38    7   15 o  847.375  150.669   12.928   3.8513   4.7751   6.0124   18.602   5.0153  542.576  222.184  1007.79  164.615 -465.2106 276.5205 
1 1 1   38    7   17 o  254.780  122.463  -3.4618   2.8549   1.5870   4.9422  -5.9902   3.4974  441.931  191.990  256.496  125.985 185.4353 229.6352 
1 1 1   38    8    0 o  316.805  143.454  -1.3106   3.0599   5.4386   4.7085  -6.2447   4.0258  573.412  205.972  289.479  140.646 283.9328 249.4109 
1 1 1   38    8    2 o  368.125  156.636   0.4911   3.1623   1.6702   4.4426  -0.7199   4.5023  453.245  188.801  400.401  178.217 52.84415 259.6288 
1 1 1   38    8    4 o  534.631  175.556   4.9313   3.3971   2.3285   4.7946   7.5552   4.8140  479.918  197.686  642.702  208.884 -162.7842 287.5972 
1 1 1   38    8    6 o  365.244  157.345   0.2865   3.2639   2.9720   4.5979  -2.4414   4.6340  489.166  196.480  371.401  171.298 117.7647 260.6673 
1 1 1   38    8    8 o  468.438  184.984   2.9041   4.0081   1.7229   4.9402   5.1793   6.8564  464.708  196.667  588.030  238.612 -123.3221 309.2144 
1 1 1   38    8   10 o  440.484  171.622   2.6436   3.4108   0.6456   4.7276   4.8126   4.9256  430.493  187.398  542.926  207.639 -112.4330 279.7005 
1 1 1   38    8   12 o  453.846  172.217   3.1237   3.3717  -1.6585   4.5724   8.8237   4.9919  376.464  172.347  670.271  212.196 -293.8069 273.3695 
1 1 1   38    8   14 o  410.487  165.725   2.0199   3.2894   3.7442   4.3843  -0.2007   4.9754  492.582  193.803  415.266  185.903 77.31586 268.5503 
1 1 1   38    8   16 f  955.447  149.738   16.412   4.3326   21.344   6.2032   11.715   6.0539  1046.40  196.538  734.228  233.812 312.1736 305.4426 
1 1 1   38    9    1 o  774.740  153.930   10.407   3.6026   8.9287   6.2215   11.152   4.4187  695.474  237.728  788.821  182.518 -93.34656 299.7120 
1 1 1   38    9    3 o  439.550  164.658   2.7412   3.0599   6.1337   4.7973   0.4143   3.9730  595.016  208.475  402.773  173.555 192.2435 271.2622 
1 1 1   38    9    5 o  283.999  131.708  -2.0192   2.7956   1.3329   4.4523  -4.2009   3.5919  442.887  187.027  292.321  139.663 150.5663 233.4204 
1 1 1   38    9    7 o  406.223  167.909   1.4061   3.4750  -1.6552   4.6547   5.2610   5.2232  385.665  175.532  567.278  214.567 -181.6129 277.2192 
1 1 1   38    9    9 o  475.200  177.010   3.4877   3.5264   1.5315   4.7199   5.9595   5.3056  452.527  191.912  585.323  217.299 -132.7962 289.9124 
1 1 1   38    9   11 o  229.207  113.694  -6.8047   3.1031  -1.7472   4.2016 -12.8742   4.6028  360.528  165.111  253.628  127.626 106.9002 208.6862 
1 1 1   38    9   13 o  575.351  176.068   6.1351   3.4684   3.5815   4.6110   9.4627   5.2636  495.796  197.576  687.853  217.907 -192.0573 294.1424 
1 1 1   38    9   15 o  710.517  170.646   9.4578   3.7489   6.1247   4.9324   14.017   5.7686  570.335  209.933  827.200  219.194 -256.8657 303.5095 
1 1 1   38   10    0 o  535.925  184.183   4.7761   3.7357   13.254   8.4746   2.7314   4.1619  817.599  277.464  475.511  188.270 342.0876 335.3090 
1 1 1   38   10    2 o  775.845  187.359   10.870   4.5002   0.0000   0.0000   10.870   4.5002  ?   ?   775.845  187.359 0.000000 187.3591 
1 1 1   38   10    4 o  421.957  160.170   2.4121   2.9171  -0.0555   4.1442   4.8356   4.1070  398.774  174.472  540.807  192.566 -142.0330 259.8507 
1 1 1   38   10    6 o  337.649  146.134   0.0477   2.8418   2.3028   4.1201  -1.9988   3.9249  457.160  185.157  346.924  159.138 110.2359 244.1473 
1 1 1   38   10    8 o  751.800  165.549   10.102   3.7917   10.869   5.1172   9.1673   5.6464  756.332  209.084  691.398  226.298 64.93427 308.1020 
1 1 1   38   10   10 o  428.031  165.398   2.4872   3.1477   0.1949   4.7139   4.3318   4.2286  421.775  185.267  518.080  193.666 -96.30524 268.0120 
1 1 1   38   10   12 o  320.884  145.635  -1.1944   3.1754  -4.4784   4.5002   2.0620   4.4812  330.283  157.391  454.309  189.464 -124.0263 246.3098 
1 1 1   38   10   14 o  569.328  170.875   5.9990   3.2896   2.6355   4.7933   8.9938   4.5229  473.439  196.569  678.741  199.552 -205.3018 280.1082 
1 1 1   38   11    1 o  536.946  184.156   4.8059   3.7337   6.0105   8.1738   4.4883   4.1972  644.979  260.945  533.213  194.049 111.7668 325.1881 
1 1 1   38   11    3 f  746.132  191.730   10.120   4.5036   18.283   7.6045   5.7103   5.5891  967.986  249.359  593.786  222.517 374.2001 334.2059 
1 1 1   38   11    5 o  351.337  146.707   0.7265   2.6917   1.6944   3.6345  -0.4494   4.0058  423.571  173.018  383.667  169.562 39.90320 242.2533 
1 1 1   38   11    7 o  356.710  150.922   0.5777   2.9080   4.1071   4.1517  -2.8216   4.0745  514.153  191.956  339.457  157.961 174.6959 248.5937 
1 1 1   38   11    9 o  430.811  182.169   1.2698   4.2329  -6.1536   8.9713   3.3958   4.8009  472.633  224.363  504.596  201.441 -31.96320 301.5244 
1 1 1   38   11   11 o  466.051  170.268   3.4445   3.2360   6.0917   4.7774   1.2002   4.3988  582.518  207.661  432.471  184.394 150.0473 277.7121 
1 1 1   38   11   13 o  296.159  137.316  -1.9771   3.0361   0.2341   4.2388  -4.3067   4.3508  401.049  175.935  325.215  154.916 75.83463 234.4180 
1 1 1   38   12    0 f  373.454  159.967   0.3148   3.3382   5.8944   8.1996  -0.7937   3.6548  645.945  261.350  361.508  160.756 284.4376 306.8325 
1 1 1   38   12    2 f  546.847  188.210   4.9981   3.9016  -1.3596   8.6676   6.6136   4.3693  532.298  241.201  612.321  199.001 -80.02344 312.6969 
1 1 1   38   12    4 o  555.102  188.679   5.2450   3.9189   22.098   7.6635  -0.7222   4.5602  1080.87  233.274  403.346  179.454 677.5251 294.3136 
1 1 1   38   12    6 o  423.407  166.349   2.1618   3.2258   3.6152   4.2787   0.2479   4.9101  502.953  193.245  436.087  190.378 66.86572 271.2698 
1 1 1   38   12    8 o  441.546  165.810   2.8033   3.1066  -7.6411   4.3662   13.512   4.4211  289.193  141.786  873.243  167.784 -584.0500 219.6696 
1 1 1   38   12   10 o  333.694  147.835  -0.4916   3.0630  -0.6913   4.1172  -0.2440   4.5838  380.200  169.736  409.060  181.055 -28.86008 248.1753 
1 1 1   38   12   12 o  435.583  168.350   2.6300   3.2616   6.9384   4.9459  -0.6855   4.3387  610.405  211.804  387.562  173.544 222.8433 273.8214 
1 1 1   38   13    1 o  532.966  186.730   4.6156   3.8487 -20.9266   9.2986   9.8959   4.2278  381.538  190.473  745.157  182.620 -363.6197 263.8753 
1 1 1   38   13    3 o  642.344  208.612   7.3761   4.8018   0.0000   0.0000   7.3761   4.8018  ?   ?   642.344  208.612 0.000000 208.6117 
1 1 1   38   13    5 o  496.493  196.031   3.1473   4.5005   4.3048   9.1949   2.7827   5.1609  627.635  267.077  505.222  206.250 122.4126 337.4449 
1 1 1   38   13    7 o  333.731  146.886  -0.3835   2.9760  -3.7598   4.2069   2.9988   4.2107  331.670  156.300  481.946  189.828 -150.2759 245.8950 
1 1 1   38   13    9 o  447.717  166.903   2.9479   3.1364   6.8399   4.4458  -0.9085   4.4254  613.663  200.800  390.702  175.087 222.9609 266.4133 
1 1 1   38   14    0 o  496.859  172.137   3.9436   3.2663   2.8660   4.6274   5.0136   4.6110  496.372  197.890  561.953  203.561 -65.58124 283.8966 
1 1 1   38   14    2 f  309.510  146.519  -3.8814   3.7747   10.431   8.9616  -6.9683   4.1618  754.765  281.975  288.816  140.919 465.9492 315.2271 
1 1 1   38   14    4 o  539.196  203.429   4.3497   4.6875   0.0000   0.0000   4.3497   4.6875  ?   ?   539.196  203.429 0.000000 203.4290 
1 1 1   38   14    6 o  306.237  146.809  -4.9919   4.0429   0.0000   0.0000  -4.9919   4.0429  ?   ?   306.237  146.809 0.000000 146.8085 
1 1 1   38   14    8 o  503.889  199.365   3.3342   4.6638   0.0000   0.0000   3.3342   4.6638  ?   ?   503.889  199.365 0.000000 199.3649 
1 1 1   38   15    1 f  356.547  152.872   0.1905   3.0540  -1.3618   4.2658   1.8227   4.3742  380.339  171.058  459.527  188.998 -79.18799 254.9140 
1 1 1   38   15    3 o  294.006  137.546  -2.7308   3.1566  -4.0397   4.6033  -1.5691   4.3369  349.406  164.302  378.853  171.238 -29.44797 237.3131 
1 1 1   38   15    5 o  678.207  208.119   8.3541   4.8422   0.0000   0.0000   8.3541   4.8422  ?   ?   678.207  208.119 0.000000 208.1188 
1 1 1   38   16    0 o  362.950  158.272  -0.2355   3.3852  -7.2514   5.1844   4.9789   4.4695  336.379  162.497  560.234  200.736 -223.8542 258.2643 
1 1 1   38   16    2 o  416.149  165.847   1.8038   3.2491   3.3123   4.4920   0.1486   4.7053  506.104  197.020  431.673  187.432 74.43149 271.9329 
1 1 1   39    0    1 o  218.099  156.988  -8.5346   5.2897  -8.5346   5.2897  -8.5346   5.2897  218.099  156.988  218.099  156.988 -0.000000 0.000000 
1 1 1   39    0    3 o  327.823  221.570  -1.8974   6.6671  -1.8974   6.6671  -1.8974   6.6671  327.823  221.570  327.823  221.570 -0.000000 0.000000 
1 1 1   39    0    5 o  325.129  215.463  -0.4753   5.7761  -0.4753   5.7761  -0.4753   5.7761  325.129  215.463  325.129  215.463 -0.000000 0.000000 
1 1 1   39    0    7 o  444.583  252.829   5.0088   5.4802   5.0088   5.4802   5.0088   5.4802  444.583  252.829  444.583  252.829 -0.000000 0.000000 
1 1 1   39    0    9 o  197.173  143.527 -10.5411   5.1065 -10.5411   5.1065 -10.5411   5.1065  197.173  143.527  197.173  143.527 -0.000000 0.000000 
1 1 1   39    0   11 o  282.240  193.985  -2.8866   5.5881  -2.8866   5.5881  -2.8866   5.5881  282.240  193.985  282.240  193.985 -0.000000 0.000000 
1 1 1   39    0   13 o  666.556  302.272   11.872   6.8107   11.872   6.8107   11.872   6.8107  666.556  302.272  666.556  302.272 -0.000000 0.000000 
1 1 1   39    0   15 o  285.704  195.593  -2.4447   5.5557  -2.4447   5.5557  -2.4447   5.5557  285.704  195.593  285.704  195.593 -0.000000 0.000000 
1 1 1   39    0   17 o  275.126  190.210  -3.2125   5.5641  -3.2125   5.5641  -3.2125   5.5641  275.126  190.210  275.126  190.210 -0.000000 0.000000 
1 1 1   39    1    0 o  406.840  188.508  -3.0998   5.7080  -3.0998   5.7080   0.0000   0.0000  406.840  188.508  ?   ?  0.000000 188.5085 
1 1 1   39    1    2 o  638.184  217.211   7.5001   5.1938   7.8816   7.3947   7.1286   7.2965  662.674  254.180  643.860  250.975 18.81384 357.2055 
1 1 1   39    1    4 o  615.258  197.556   6.9719   4.3152  -4.7892   6.5760   15.866   5.7186  412.564  194.723  918.706  204.095 -506.1421 282.0842 
1 1 1   39    1    6 o  455.606  187.183   2.2559   4.2848   2.4005   6.2622   2.1287   5.8756  513.171  219.437  497.805  212.702 15.36566 305.6055 
1 1 1   39    1    8 o  500.171  195.461   3.7790   4.4342   5.3112   6.4050   2.3687   6.1449  574.575  231.506  505.406  216.776 69.16956 317.1545 
1 1 1   39    1   10 o  400.258  174.123   0.5699   4.0762  -9.2447   5.7537   10.459   5.7756  328.590  161.436  712.719  228.523 -384.1293 279.7931 
1 1 1   39    1   12 o  390.042  172.587   0.0950   4.1621   8.3493   5.8507  -8.3620   5.9221  638.105  229.560  340.788  166.669 297.3166 283.6829 
1 1 1   39    1   14 o  644.276  203.416   8.4493   4.5898   1.2411   6.6139   15.145   6.3745  479.169  214.437  833.715  234.401 -354.5464 317.6898 
1 1 1   39    1   16 o  428.299  176.329   2.3998   3.8121  -5.3660   5.0103   13.076   5.8746  330.840  159.802  767.015  227.928 -436.1757 278.3661 
1 1 1   39    2    1 o  325.964  148.948  -1.6644   3.3938  -1.9232   6.8613  -1.5806   3.9049  463.934  211.912  353.906  160.960 110.0271 266.1110 
1 1 1   39    2    3 o  344.378  153.040  -0.5946   3.3072  -3.1381   6.0522   0.4882   3.9490  416.634  193.422  400.500  172.801 16.13382 259.3686 
1 1 1   39    2    5 o  442.305  188.060   1.3497   4.5522   9.4714   7.1091  -4.2946   5.9265  693.359  252.514  394.180  185.684 299.1785 313.4352 
1 1 1   39    2    7 o  538.726  198.258   4.9581   4.3988   4.6493   6.4170   5.2319   6.0415  562.380  229.829  570.236  226.499 -7.855957 322.6811 
1 1 1   39    2    9 o  304.770  146.350  -4.7278   4.0550  -4.1964   5.8678  -5.2136   5.6101  388.405  183.508  366.096  174.809 22.30939 253.4429 
1 1 1   39    2   11 o  607.361  177.997   6.9690   3.6036   8.7865   4.4100   3.3165   6.2516  670.191  197.050  519.655  220.651 150.5362 295.8305 
1 1 1   39    2   13 o  455.511  181.252   3.0183   3.8752   6.6445   5.1080  -1.8988   5.9481  583.391  213.804  415.504  192.491 167.8877 287.6886 
1 1 1   39    2   15 f  360.050  161.768  -0.4129   3.8037  -6.3013   5.2761   5.9596   5.4887  332.600  161.462  557.057  217.527 -224.4572 270.9019 
1 1 1   39    2   17 o  715.194  196.926   10.635   4.5499   16.228   6.2475   4.3177   6.6394  851.574  229.227  520.675  224.359 330.8986 320.7520 
1 1 1   39    3    0 o  531.262  179.297   4.8205   3.5386   8.2722   6.3113   3.2380   4.2735  669.885  238.694  490.078  191.784 179.8073 306.1959 
1 1 1   39    3    2 o  647.255  210.253   7.7678   4.8775   3.1809   7.5814   11.007   6.3711  566.301  241.782  748.584  240.015 -182.2823 340.6844 
1 1 1   39    3    4 o  495.282  179.218   3.9795   3.5727   6.8957   6.4964   2.7151   4.2777  625.586  238.649  470.889  189.383 154.6971 304.6624 
1 1 1   39    3    6 o  582.800  188.259   6.2090   3.9141   0.2482   7.8703   8.1678   4.5116  516.148  232.224  656.767  200.781 -140.6190 306.9875 
1 1 1   39    3    8 o  1065.52  120.263   19.163   3.9423   24.013   5.7781   14.939   5.3923  1160.95  163.476  885.487  199.290 275.4614 257.7613 
1 1 1   39    3   10 o  412.408  161.997   2.2581   3.0587   4.6650   4.4667   0.1328   4.1972  524.724  198.432  395.259  174.182 129.4659 264.0356 
1 1 1   39    3   12 o  604.056  172.532   6.8778   3.4255   8.4129   5.0750   5.5931   4.6426  645.398  214.703  551.507  203.561 93.89020 295.8625 
1 1 1   39    3   14 o  380.303  161.081   1.1286   3.3185   1.1587   5.1932   1.1079   4.3143  442.523  194.418  414.949  179.822 27.57449 264.8289 
1 1 1   39    3   16 o  525.450  180.611   5.3089   3.5923   9.8675   5.6447   2.2058   4.6572  667.439  226.446  445.229  189.781 222.2093 295.4569 
1 1 1   39    4    1 o  779.107  171.232   10.852   4.0634   8.6764   6.9675   11.974   5.0021  682.636  249.776  803.073  199.748 -120.4367 319.8234 
1 1 1   39    4    3 o  427.961  180.291   1.2978   4.1213  -5.2240   7.5209   4.0967   4.9270  440.482  208.003  527.983  206.117 -87.50177 292.8301 
1 1 1   39    4    5 o  1105.08  136.086   20.826   4.6095   30.054   8.2051   16.570   5.5718  1260.17  215.696  945.041  194.766 315.1318 290.6173 
1 1 1   39    4    7 o  312.515  141.982  -1.2324   3.0280  -9.5768   4.4944   5.7034   4.0975  274.461  136.258  562.544  192.921 -288.0834 236.1873 
1 1 1   39    4    9 o  711.880  171.952   9.3608   3.7899   6.4566   6.3967   10.932   4.7045  600.456  234.732  753.941  197.072 -153.4851 306.4906 
1 1 1   39    4   11 o  295.241  137.375  -2.0808   3.0806   2.6350   4.4843  -6.2953   4.2393  464.385  191.222  293.045  142.816 171.3401 238.6679 
1 1 1   39    4   13 o  558.075  176.849   5.8820   3.4667   5.3637   5.1965   6.2976   4.6536  547.083  212.204  572.256  204.852 -25.17285 294.9484 
1 1 1   39    4   15 o  505.267  176.257   4.7284   3.4273   11.332   5.0292  -0.9975   4.6831  738.804  208.373  383.234  175.060 355.5699 272.1494 
1 1 1   39    4   17 o  392.288  165.247   1.5637   3.4617   7.1749   5.2506  -2.7509   4.6041  582.287  216.169  347.564  163.706 234.7231 271.1620 
1 1 1   39    5    0 o  423.209  176.342   1.3823   3.8772   5.5076   7.6448  -0.0462   4.4987  617.200  251.386  413.039  181.220 204.1612 309.8961 
1 1 1   39    5    2 o  276.101  131.056  -3.2760   3.0597  -1.0076   6.1399  -4.0254   3.5291  453.842  204.566  291.107  138.904 162.7359 247.2677 
1 1 1   39    5    4 o  686.102  202.524   8.8587   4.6504   2.5379   8.2158   11.838   5.6410  564.907  246.448  781.223  220.805 -216.3161 330.8949 
1 1 1   39    5    6 o  488.657  167.961   4.0468   3.1067   1.2963   4.8588   5.9490   4.0406  450.712  193.024  573.485  191.604 -122.7726 271.9746 
1 1 1   39    5    8 o  451.352  169.655   3.0954   3.2538   10.486   5.6131  -0.6449   3.9932  724.636  224.357  372.681  166.713 351.9556 279.5165 
1 1 1   39    5   10 o  362.218  156.352   0.4139   3.2358   5.8493   5.8543  -1.9770   3.8828  577.347  224.874  339.500  156.660 237.8466 274.0636 
1 1 1   39    5   12 o  612.498  178.908   7.1225   3.6460   4.4811   5.7282   8.9213   4.7272  535.015  217.723  669.049  205.686 -134.0345 299.5166 
1 1 1   39    5   14 o  511.798  174.752   4.8249   3.3619   3.2585   4.6057   6.6114   4.9185  477.452  194.867  580.088  210.223 -102.6356 286.6479 
1 1 1   39    5   16 o  452.840  179.366   3.1978   3.7790   15.644   6.7769  -2.4187   4.5525  824.292  244.776  352.951  165.141 471.3405 295.2741 
1 1 1   39    6    1 o  408.968  169.896   1.3039   3.5835   6.6303   6.3376  -1.1994   4.3447  623.753  236.248  382.191  172.193 241.5619 292.3417 
1 1 1   39    6    3 o  507.838  179.513   4.2730   3.5628  -1.7916   7.8169   5.8632   4.0027  492.622  225.460  574.222  190.660 -81.60089 295.2683 
1 1 1   39    6    5 o  661.527  204.583   8.2427   4.6687   0.5131   8.4883   11.595   5.5903  538.281  241.765  771.958  220.379 -233.6776 327.1346 
1 1 1   39    6    7 o  687.124  156.438   8.4469   3.2904   7.8824   5.0064   8.8762   4.3657  643.252  213.210  685.597  194.414 -42.34515 288.5400 
1 1 1   39    6    9 o  335.303  148.452  -0.3719   3.0839  -4.1010   5.0434   1.8550   3.8973  358.760  169.693  429.587  177.713 -70.82678 245.7188 
1 1 1   39    6   11 o  330.863  146.857  -0.3910   3.0365  -5.2823   5.0305   2.4126   3.8086  340.836  163.492  440.290  178.126 -99.45380 241.7821 
1 1 1   39    6   13 o  277.456  130.983  -2.6613   2.9786  -9.0605   5.1230   0.6066   3.6610  302.939  149.504  382.186  165.637 -79.24725 223.1300 
1 1 1   39    6   15 o  377.226  159.339   1.1616   3.2328  -7.8773   5.2269   6.7616   4.1142  315.666  154.839  584.844  193.253 -269.1774 247.6327 
1 1 1   39    7    0 o  830.869  174.058   12.305   4.3834   15.361   8.1595   11.065   5.1970  865.522  270.920  768.359  210.010 97.16296 342.7855 
1 1 1   39    7    2 o  506.333  189.299   3.9474   4.0403  -5.3720   7.8313   7.3278   4.7165  450.649  212.637  632.713  206.814 -182.0634 296.6246 
1 1 1   39    7    4 o  808.203  184.927   11.954   4.5786   20.181   9.4196   9.4095   5.2391  962.442  289.216  702.156  216.649 260.2851 361.3625 
1 1 1   39    7    6 o  811.748  179.976   12.049   4.4546   13.630   5.4111   8.7244   7.8465  846.740  206.046  677.888  261.363 168.8519 332.8148 
1 1 1   39    7    8 f  292.098  136.775  -2.5187   3.1333  -0.2010   4.4949  -4.7094   4.3700  403.593  178.930  321.794  153.830 81.79883 235.9647 
1 1 1   39    7   10 o  319.749  144.109  -0.9111   3.0461   4.7269   4.3220  -6.4758   4.2938  527.080  196.037  294.924  143.732 232.1553 243.0826 
1 1 1   39    7   12 o  412.981  163.919   2.2108   3.1622  -3.0414   5.1702   5.3496   3.9969  375.539  175.799  541.196  190.253 -165.6570 259.0396 
1 1 1   39    7   14 o  480.579  174.273   4.0131   3.3809   1.9357   5.3857   5.3642   4.3434  465.922  201.414  538.623  197.189 -72.70142 281.8705 
1 1 1   39    8    1 o  409.361  177.676   0.2873   4.2249   1.7900   8.8202  -0.1601   4.8130  573.667  252.667  423.122  186.489 150.5449 314.0363 
1 1 1   39    8    3 o  565.842  197.598   5.5456   4.3080   6.4367   7.9725   5.1781   5.1199  637.820  257.830  564.769  212.710 73.05151 334.2482 
1 1 1   39    8    5 o  662.555  193.655   8.1495   4.2706   15.960   8.9945   5.8762   4.8524  857.128  285.863  580.312  209.029 276.8164 354.1340 
1 1 1   39    8    7 o  481.063  177.601   3.6558   3.5344   6.8813   4.9782   0.3776   5.0188  611.153  212.470  436.663  191.501 174.4906 286.0350 
1 1 1   39    8    9 o  415.365  169.036   1.8595   3.4529  -0.0606   4.8849   3.7769   4.8813  420.507  186.475  511.123  203.411 -90.61542 275.9509 
1 1 1   39    8   11 f  301.015  140.008  -2.1547   3.1949  -5.4722   4.2851   1.9981   4.7943  306.005  147.801  459.328  194.030 -153.3233 243.9117 
1 1 1   39    8   13 o  627.964  174.708   7.4526   3.5607   6.2620   4.7847   8.9304   5.3307  574.804  207.491  661.623  220.042 -86.81934 302.4416 
1 1 1   39    9    0 o  311.942  147.025  -3.4521   3.7251   0.0000   0.0000  -3.4521   3.7251  ?   ?   311.942  147.025 0.000000 147.0255 
1 1 1   39    9    2 o  518.991  187.731   4.3511   3.9197   12.107   9.0317   2.5514   4.3508  774.134  284.208  472.151  190.605 301.9829 342.2055 
1 1 1   39    9    4 o  450.232  174.053   2.7396   3.4870   3.7264   9.3727   2.5810   3.7567  610.232  264.749  453.251  179.055 156.9804 319.6134 
1 1 1   39    9    6 o  1064.88  145.716   19.522   4.7313  -5.3878   10.158   26.424   5.3466  510.135  241.150  1245.42  139.499 -735.2852 278.5917 
1 1 1   39    9    8 o  457.533  175.203   3.0300   3.5097  -1.2704   4.7333   8.2823   5.2309  393.287  178.224  657.516  217.939 -264.2285 281.5334 
1 1 1   39    9   10 o  740.068  166.659   9.9737   3.7691   11.667   5.1969   8.0944   5.4747  772.920  209.491  645.475  222.902 127.4448 305.8950 
1 1 1   39    9   12 o  463.116  176.450   3.3188   3.5486  -0.1118   4.8809   7.1655   5.1684  415.314  185.154  609.438  216.127 -194.1235 284.5926 
1 1 1   39   10    1 o  472.743  187.525   2.7513   4.1362   0.0000   0.0000   2.7513   4.1362  ?   ?   472.743  187.525 0.000000 187.5250 
1 1 1   39   10    3 o  421.593  173.407   1.5939   3.6826   8.8998   8.4170  -0.1356   4.0953  698.959  270.359  393.961  172.876 304.9977 320.9048 
1 1 1   39   10    5 o  303.273  142.675  -3.0921   3.4781 -14.4699   8.1731  -0.5760   3.8435  380.274  187.885  371.591  165.065 8.683014 250.0943 
1 1 1   39   10    7 o  418.779  179.012   0.9122   4.1649  -8.3157   8.3390   3.9792   4.8075  432.746  208.319  520.446  203.484 -87.69992 291.2083 
1 1 1   39   10    9 o  845.343  138.727   12.361   3.5447   11.306   5.3481   13.187   4.7337  761.245  214.939  845.169  184.084 -83.92346 282.9947 
1 1 1   39   10   11 o  329.091  148.287  -0.9216   3.2232  -2.6302   4.6158   0.7045   4.5030  362.232  168.415  421.349  183.154 -59.11713 248.8157 
1 1 1   39   11    0 f  679.423  157.475   8.0898   3.2848   10.142   4.7712   6.2407   4.5290  743.234  200.429  597.821  202.837 145.4129 285.1569 
1 1 1   39   11    2 o  568.714  201.535   5.4654   4.4933   0.0000   0.0000   5.4654   4.4933  ?   ?   568.714  201.535 0.000000 201.5347 
1 1 1   39   11    4 o  365.249  158.379   0.0917   3.3507  -8.6421   8.7889   1.5770   3.6245  448.000  215.216  418.854  172.128 29.14536 275.5829 
1 1 1   39   11    6 o  538.776  188.499   4.9455   3.9213   0.8510   8.8352   5.9498   4.3759  555.542  248.285  580.162  199.342 -24.62030 318.4061 
1 1 1   39   11    8 o  444.547  185.999   1.7007   4.3388   10.415   8.9206  -0.9998   4.9657  721.404  278.528  408.782  184.138 312.6225 333.8931 
1 1 1   39   11   10 f  291.864  137.089  -2.7065   3.1895  -9.0473   4.7652   2.4396   4.2929  291.665  143.986  460.157  188.008 -168.4914 236.8102 
1 1 1   39   12    1 o  498.678  175.729   3.9961   3.4116   2.9560   5.2686   4.7471   4.4770  512.757  208.751  545.957  200.151 -33.20032 289.2015 
1 1 1   39   12    3 o  629.803  191.858   7.1544   4.1246  -2.8603   9.1692   9.6949   4.6182  521.947  240.811  726.343  197.742 -204.3967 311.5957 
1 1 1   39   12    5 o  274.732  133.624  -5.7565   3.6599  -4.9482   8.9167  -5.9203   4.0135  488.431  229.353  291.480  141.345 196.9502 269.4088 
1 1 1   39   12    7 o  503.257  189.821   3.8720   4.0806   17.787   9.4261   0.6627   4.5268  901.717  292.239  427.876  184.812 473.8410 345.7730 
1 1 1   39   13    0 o  436.802  167.542   2.4892   3.2128   5.3596   5.2315   0.7510   4.0710  580.245  215.704  417.315  177.648 162.9295 279.4402 
1 1 1   39   13    2 o  308.447  140.487  -1.4878   2.9883   0.5330   4.2488  -3.4661   4.2038  418.343  179.868  337.264  158.085 81.07916 239.4642 
1 1 1   39   13    4 o  698.966  212.066   9.0720   5.0467   0.0000   0.0000   9.0720   5.0467  ?   ?   698.966  212.066 0.000000 212.0659 
1 1 1   39   13    6 o  277.732  135.919  -6.8329   3.9577   0.0000   0.0000  -6.8329   3.9577  ?   ?   277.732  135.919 0.000000 135.9189 
1 1 1   39   14    1 o  390.737  163.897   0.8666   3.3821   2.4653   5.0968  -0.3911   4.5207  497.442  204.235  409.956  180.709 87.48587 272.7045 
1 1 1   39   14    3 o  538.036  181.021   4.8936   3.6069   11.139   4.8363  -2.9332   5.4142  781.160  197.585  400.417  184.848 380.7429 270.5709 
1 1 1   39   15    0 o  445.282  169.917   2.6162   3.2939   3.6439   4.6317   1.5646   4.6853  518.125  200.515  462.752  193.421 55.37305 278.5998 
1 1 1   40    0    0 o  399.180  249.472   2.7018   6.3944   2.7018   6.3944   2.7018   6.3944  399.180  249.472  399.180  249.472 -0.000000 0.000000 
1 1 1   40    0    2 o  358.993  213.305   2.7477   4.1836   2.7477   4.1836   2.7477   4.1836  358.993  213.305  358.993  213.305 -0.000000 0.000000 
1 1 1   40    0    4 o  225.836  155.420  -2.2326   3.6148  -2.2326   3.6148  -2.2326   3.6148  225.836  155.420  225.836  155.420 -0.000000 0.000000 
1 1 1   40    0    6 o  287.331  184.951   0.5193   3.8270   0.5193   3.8270   0.5193   3.8270  287.331  184.951  287.331  184.951 -0.000000 0.000000 
1 1 1   40    0    8 o  210.295  148.801  -4.5248   4.0247  -4.5248   4.0247  -4.5248   4.0247  210.295  148.801  210.295  148.801 -0.000000 0.000000 
1 1 1   40    0   10 o  514.808  245.753   6.8828   4.5403   6.8828   4.5403   6.8828   4.5403  514.808  245.753  514.808  245.753 -0.000000 0.000000 
1 1 1   40    0   12 o  277.989  192.895  -3.7546   5.8580  -3.7546   5.8580  -3.7546   5.8580  277.989  192.895  277.989  192.895 -0.000000 0.000000 
1 1 1   40    0   14 o  293.604  201.187  -2.5232   5.9080  -2.5232   5.9080  -2.5232   5.9080  293.604  201.187  293.604  201.187 -0.000000 0.000000 
1 1 1   40    1    1 o  455.861  180.989   2.6358   3.8561  -0.4506   4.5218   10.864   7.3831  402.005  178.785  732.952  258.488 -330.9466 314.2933 
1 1 1   40    1    3 o  502.277  168.651   4.3604   3.1307   6.1342   4.5980   2.8272   4.2747  582.876  204.106  471.868  189.478 111.0080 278.4979 
1 1 1   40    1    5 o  503.652  175.249   4.3683   3.3872   8.7349   4.0750  -5.3923   6.0925  682.205  185.758  384.139  183.077 298.0657 260.8124 
1 1 1   40    1    7 o  715.659  177.238   9.5554   3.9509   9.7304   6.9378   9.4715   4.8065  686.233  249.523  695.468  206.054 -9.234375 323.6046 
1 1 1   40    1    9 o  352.380  156.296  -0.2808   3.4334   4.5209   5.9567  -2.6698   4.2016  541.670  221.406  340.941  159.237 200.7282 272.7217 
1 1 1   40    1   11 o  321.331  146.698  -1.2539   3.2826   7.8529   6.0226  -5.1028   3.9153  621.246  231.341  290.275  140.472 330.9712 270.6497 
1 1 1   40    1   13 f  371.877  163.678   0.2733   3.6956   3.5826   6.1912  -1.5585   4.6062  511.832  218.508  371.095  171.026 140.7362 277.4813 
1 1 1   40    1   15 o  424.840  175.163   2.3552   3.7687   6.7318   6.3278  -0.0507   4.6916  572.956  230.369  396.865  178.857 176.0903 291.6502 
1 1 1   40    2    0 o  286.225  133.396  -2.2524   2.9236  -0.5043   3.9906  -4.2778   4.2955  378.946  168.270  326.280  154.993 52.66583 228.7743 
1 1 1   40    2    2 o  588.313  169.193   6.2562   3.2835   6.6461   4.7346   5.8949   4.5577  602.787  207.338  575.790  203.090 26.99646 290.2318 
1 1 1   40    2    4 o  392.408  165.361   1.0424   3.4686   4.7656   6.1275  -0.7133   4.2077  561.641  226.386  381.487  170.858 180.1532 283.6251 
1 1 1   40    2    6 o  552.070  200.558   5.3866   4.4806   3.0310   6.4038   7.6458   6.2713  524.747  223.081  632.615  235.973 -107.8676 324.7275 
1 1 1   40    2    8 o  408.827  170.363   1.5379   3.6192  -1.2737   6.4128   2.8519   4.3842  445.865  204.115  469.266  190.665 -23.40082 279.3139 
1 1 1   40    2   10 o  348.039  156.822  -0.7842   3.6048   4.6302   6.1496  -3.6187   4.4494  544.490  224.036  336.444  159.214 208.0455 274.8477 
1 1 1   40    2   12 o  842.302  164.089   13.147   4.1722   20.535   7.2892   9.5477   5.0881  975.188  240.274  678.454  214.171 296.7345 321.8704 
1 1 1   40    2   14 o  427.468  175.786   2.3427   3.7833   3.6812   7.0572   1.8029   4.4817  523.239  228.336  432.533  185.315 90.70554 294.0730 
1 1 1   40    3    1 o  473.840  169.733   3.6184   3.1953   2.4563   4.3718   4.9513   4.6818  466.250  190.025  547.501  203.953 -81.25143 278.7589 
1 1 1   40    3    3 o  433.859  176.345   2.0708   3.7521  -8.3950   7.5708   5.4783   4.3199  405.977  196.180  558.157  197.629 -152.1800 278.4671 
1 1 1   40    3    5 o  649.045  213.880   8.1153   5.0406   6.9207   7.9905   8.9049   6.4962  631.778  257.129  670.984  241.837 -39.20630 352.9880 
1 1 1   40    3    7 o  526.497  181.246   4.9335   3.6183   10.595   5.8640   1.4526   4.5979  720.860  230.174  441.303  188.350 279.5568 297.4152 
1 1 1   40    3    9 o  463.669  185.832   2.9507   4.1032  -2.0867   8.0935   4.6933   4.7603  478.788  222.741  528.313  203.608 -49.52518 301.7780 
1 1 1   40    3   11 o  311.246  147.350  -3.2959   3.8188  -5.5216   8.6320  -2.7542   4.2582  449.808  215.340  340.250  159.363 109.5589 267.8951 
1 1 1   40    3   13 f  706.338  200.071   10.132   4.6262   19.955   9.8890   7.3804   5.2342  859.136  299.414  600.747  216.995 258.3892 369.7772 
1 1 1   40    4    0 o  541.604  177.475   5.1523   3.4725   14.424   4.9425  -3.8850   4.8797  890.726  183.322  358.980  168.917 531.7456 249.2784 
1 1 1   40    4    2 o  699.980  187.014   9.0914   4.1770   9.8012   7.1307   8.7206   5.1537  703.513  253.393  675.286  215.801 28.22784 332.8336 
1 1 1   40    4    4 o  453.749  173.837   2.9770   3.4562   3.1096   7.6671   2.9432   3.8720  557.353  240.628  463.831  182.243 93.52176 301.8516 
1 1 1   40    4    6 o  538.919  182.751   5.1948   3.6764   0.5223   7.7074   6.5711   4.1830  512.005  230.136  593.838  194.797 -81.83337 301.5102 
1 1 1   40    4    8 o  520.777  185.850   4.7610   3.8275   18.460   8.9648   1.7071   4.2327  889.925  284.643  434.807  182.918 455.1185 338.3500 
1 1 1   40    4   10 o  467.850  185.170   3.1967   4.0246   9.0696   8.8246   1.6543   4.5223  661.165  269.780  439.490  187.166 221.6751 328.3476 
1 1 1   40    4   12 o  315.587  150.712  -4.0830   4.1729  -1.6207   9.3793  -4.6907   4.6595  502.791  235.818  328.999  157.691 173.7922 283.6840 
1 1 1   40    4   14 o  635.943  200.677   8.3007   4.4675   2.1880   10.148   9.7703   4.9756  546.394  252.526  680.626  211.316 -134.2325 329.2777 
1 1 1   40    5    1 o  436.796  167.599   2.6324   3.2157  -3.9100   6.9551   4.4112   3.6266  436.866  204.314  512.961  181.136 -76.09494 273.0462 
1 1 1   40    5    3 o  366.205  161.726  -0.3034   3.6375  -7.3524   7.6647   1.7458   4.1326  419.573  201.406  438.043  182.250 -18.46988 271.6236 
1 1 1   40    5    5 o  262.884  126.060  -3.7057   2.9854   0.0000   7.2884  -4.4528   3.2725  496.254  223.355  268.452  129.539 227.8018 258.2009 
1 1 1   40    5    7 o  717.839  161.603   9.3422   3.5448   20.322   7.3807   6.0501   4.0415  997.097  239.417  572.774  191.623 424.3232 306.6594 
1 1 1   40    5    9 o  412.517  176.435   1.1126   4.0500   5.1261   7.5735  -0.4948   4.7928  580.408  244.451  404.630  181.707 175.7785 304.5880 
1 1 1   40    5   11 o  513.318  189.578   4.6360   4.0279  -1.6319   9.7604   5.9225   4.4220  514.917  241.204  560.774  199.801 -45.85754 313.2084 
1 1 1   40    5   13 o  567.360  200.113   6.2883   4.4251   9.5985   8.5450   5.0752   5.1727  653.600  265.943  534.166  210.399 119.4336 339.1065 
1 1 1   40    6    0 o  982.730  158.345   16.881   4.7070   17.453   8.9058   16.659   5.5447  900.909  283.208  953.489  192.350 -52.58026 342.3529 
1 1 1   40    6    2 o  597.848  188.927   6.5158   3.9585   6.1222   8.1530   6.6372   4.5280  627.553  258.058  603.207  202.825 24.34570 328.2252 
1 1 1   40    6    4 o  740.342  198.178   10.375   4.6852   19.810   8.4823   6.2327   5.6203  962.614  270.303  595.291  223.125 367.3224 350.4973 
1 1 1   40    6    6 o  421.992  171.989   1.9232   3.5813  -0.8068   8.1519   2.5762   3.9867  505.511  230.935  454.601  182.829 50.90997 294.5462 
1 1 1   40    6    8 o  553.429  181.282   5.6039   3.6232   8.1033   6.8663   4.6394   4.2653  644.407  245.463  523.086  194.708 121.3212 313.3100 
1 1 1   40    6   10 o  243.935  119.115  -4.9086   2.9902  -3.5237   5.4692  -5.4991   3.5712  380.108  178.850  268.930  131.067 111.1788 221.7333 
1 1 1   40    6   12 o  411.293  169.712   1.8625   3.5413   11.492   6.9977  -1.4527   4.1058  715.425  251.722  355.514  162.963 359.9105 299.8680 
1 1 1   40    7    1 o  579.592  179.883   6.0350   3.6058   7.3449   5.0205   4.6393   5.1822  631.206  213.562  548.377  212.131 82.82886 301.0121 
1 1 1   40    7    3 o  795.091  186.581   11.663   4.5653   12.331   9.1734   11.443   5.2633  764.320  285.338  772.222  211.464 -7.902283 355.1545 
1 1 1   40    7    5 o  538.326  216.781   4.1417   5.6128   5.6299   9.1697   3.2501   7.0978  626.210  266.596  549.205  234.199 77.00525 354.8559 
1 1 1   40    7    7 o  531.309  195.589   4.8098   4.2816   4.3163   9.6816   4.9298   4.7738  606.024  265.872  542.094  205.107 63.93018 335.7931 
1 1 1   40    7    9 o  480.808  185.918   3.5379   3.9793   3.2722   7.1483   3.6573   4.7902  540.761  232.907  501.603  200.874 39.15796 307.5648 
1 1 1   40    7   11 o  369.243  160.996   0.3172   3.5018   3.3410   6.9132  -0.7264   4.0613  531.136  228.902  369.479  166.472 161.6573 283.0356 
1 1 1   40    8    0 o  386.807  164.575   0.6831   3.4906   0.5122   4.2796   1.0227   6.0329  415.554  179.592  486.738  211.789 -71.18387 277.6829 
1 1 1   40    8    2 o  368.503  158.359   0.3776   3.2905   2.4799   4.3997  -2.2907   4.9567  468.860  190.808  387.124  178.042 81.73541 260.9726 
1 1 1   40    8    4 o  639.154  202.450   7.6373   4.5434   9.9900   9.4070   6.9215   5.1888  713.820  282.913  614.840  216.712 98.97974 356.3763 
1 1 1   40    8    6 o  611.345  220.802   6.8841   5.4193   15.932   8.3325   0.2508   7.1344  853.464  274.573  497.027  222.552 356.4374 353.4397 
1 1 1   40    8    8 o  410.551  180.648   0.2002   4.4988   3.3453   9.4197  -0.7291   5.1205  585.968  259.441  415.164  187.002 170.8037 319.8120 
1 1 1   40    8   10 o  388.713  173.834  -0.4255   4.3382  -6.8012   7.2623   3.1119   5.4094  404.537  194.658  499.894  208.293 -95.35724 285.0923 
1 1 1   40    9    1 o  697.209  162.328   8.6466   3.4776   16.025   5.4519   3.5852   4.5156  936.358  192.380  505.247  197.301 431.1114 275.5685 
1 1 1   40    9    3 o  556.671  166.384   5.5125   3.1237   5.8918   5.0523   5.2778   3.9744  583.485  212.816  550.842  189.938 32.64313 285.2496 
1 1 1   40    9    5 o  631.279  197.649   7.4206   4.3425   3.3567   9.8775   8.3943   4.8348  604.893  266.852  665.145  208.601 -60.25128 338.7098 
1 1 1   40    9    7 o  872.793  189.620   14.195   5.0340   13.047   10.611   14.528   5.7184  764.854  301.320  865.667  212.528 -100.8131 368.7302 
1 1 1   40    9    9 o  445.442  189.839   1.5370   4.6585   14.109   9.3375  -2.6291   5.3753  781.602  288.649  392.418  182.215 389.1839 341.3508 
1 1 1   40   10    0 o  506.728  180.898   4.1644   3.6266   0.7883   6.2925   5.8436   4.4377  491.987  215.129  579.387  200.650 -87.40048 294.1788 
1 1 1   40   10    2 o  478.575  178.725   3.4505   3.5996   7.1923   5.1969  -0.0000   4.9906  628.818  217.173  431.715  190.107 197.1028 288.6255 
1 1 1   40   10    4 o  770.764  154.546   10.456   3.6001   5.9161   5.4386   13.997   4.8029  588.475  219.701  878.712  180.596 -290.2364 284.4005 
1 1 1   40   10    6 o  570.559  191.001   5.8580   4.0153   2.0129   9.1031   6.7868   4.4741  570.783  253.766  606.702  201.580 -35.91925 324.0862 
1 1 1   40   10    8 o  441.717  178.389   2.3228   3.8126   14.902   9.0351  -0.4022   4.2053  812.091  285.997  387.211  172.300 424.8795 333.8885 
1 1 1   40   11    1 o  603.367  172.748   6.5052   3.4299   1.8654   5.8599   8.9232   4.2303  500.732  213.146  698.615  188.864 -197.8837 284.7819 
1 1 1   40   11    3 o  343.157  149.012   0.0039   2.9745  -0.2481   4.3699   0.2215   4.0603  402.143  177.446  399.740  173.840 2.403656 248.4098 
1 1 1   40   11    5 o  399.441  160.491   1.7161   3.0688   1.5863   4.4137   1.8376   4.2697  445.143  187.002  446.810  185.520 -1.666687 263.4144 
1 1 1   40   11    7 o  350.061  159.040  -1.3833   3.7993  -3.8844   9.1532  -0.8626   4.1761  497.059  233.075  377.905  169.666 119.1536 288.2889 
1 1 1   40   12    0 o  548.905  174.930   5.2400   3.3882   7.0611   5.7692   4.2811   4.1862  633.557  227.951  523.190  193.259 110.3669 298.8486 
1 1 1   40   12    2 o  550.826  177.587   5.2996   3.4842  -0.2686   5.5393   8.9448   4.4819  447.951  198.612  696.629  196.789 -248.6789 279.5936 
1 1 1   40   12    4 o  465.614  173.405   3.2463   3.3839   5.0876   5.2679   1.9526   4.4154  564.333  214.992  456.357  189.002 107.9760 286.2579 
1 1 1   40   13    1 o  645.924  177.999   7.4845   3.7155   15.474   5.8648   2.1278   4.8022  913.629  209.475  476.592  197.222 437.0369 287.7087 
1 1 1   41    0    1 o  397.863  231.404   3.7642   4.7465   3.7642   4.7465   3.7642   4.7465  397.863  231.404  397.863  231.404 -0.000000 0.000000 
1 1 1   41    0    3 f  252.297  169.716  -1.1278   3.8254  -1.1278   3.8254  -1.1278   3.8254  252.297  169.716  252.297  169.716 -0.000000 0.000000 
1 1 1   41    0    5 o  198.677  142.138  -5.7597   4.0631  -5.7597   4.0631  -5.7597   4.0631  198.677  142.138  198.677  142.138 -0.000000 0.000000 
1 1 1   41    0    7 o  418.611  232.612   4.5169   4.5043   4.5169   4.5043   4.5169   4.5043  418.611  232.612  418.611  232.612 -0.000000 0.000000 
1 1 1   41    0    9 o  593.671  252.987   8.7643   4.7864   8.7643   4.7864   8.7643   4.7864  593.671  252.987  593.671  252.987 -0.000000 0.000000 
1 1 1   41    0   11 o  316.836  204.917   0.7640   4.7748   0.7640   4.7748   0.7640   4.7748  316.836  204.917  316.836  204.917 -0.000000 0.000000 
1 1 1   41    1    0 o  531.220  189.402   4.8462   3.9744   7.0565   4.9352   0.7678   6.7038  615.546  211.688  494.658  218.947 120.8878 304.5483 
1 1 1   41    1    2 o  760.138  146.579   10.173   3.3624   9.9860   4.6108   10.385   4.9139  723.271  197.864  732.968  205.706 -9.696472 285.4208 
1 1 1   41    1    4 o  444.112  162.001   3.1328   2.9277  -3.5040   4.1746   9.5568   4.1071  328.663  155.130  713.469  182.967 -384.8061 239.8794 
1 1 1   41    1    6 o  500.593  170.284   4.4263   3.1920   7.2426   4.4875   1.5418   4.5414  613.561  201.787  439.883  187.452 173.6783 275.4201 
1 1 1   41    1    8 o  342.746  150.244   0.0219   3.0861   2.1444   4.2312  -2.3903   4.5109  442.787  184.334  358.125  166.501 84.66217 248.3978 
1 1 1   41    1   10 o  229.051  113.401  -6.2455   3.0331  -9.2554   4.4828  -3.7039   4.1192  272.770  135.531  318.481  151.433 -45.71060 203.2254 
1 1 1   41    1   12 o  270.401  128.798  -3.0348   3.0065  -1.7279   4.6779  -3.9546   3.9243  369.948  171.146  303.659  145.326 66.28860 224.5231 
1 1 1   41    2    1 f  407.512  171.961   1.1670   3.7593   2.0064   4.7400  -0.2563   6.1722  462.596  194.034  461.017  206.673 1.579407 283.4835 
1 1 1   41    2    3 o  620.700  184.209   7.1931   3.8390   9.0662   7.7655   6.5873   4.4164  675.421  260.123  594.690  200.307 80.73016 328.3089 
1 1 1   41    2    5 o  271.571  127.258  -2.2501   2.7210  -6.1331   3.8758   1.5241   3.8211  278.085  135.751  416.563  174.442 -138.4773 221.0392 
1 1 1   41    2    7 o  308.565  138.615  -0.7403   2.7916  -3.7596   3.9521   2.2665   3.9439  312.311  148.449  439.262  179.922 -126.9506 233.2571 
1 1 1   41    2    9 o  539.316  183.295   5.4158   3.6984  -0.7382   4.3657   21.058   6.9603  380.457  171.899  1013.10  225.243 -632.6451 283.3434 
1 1 1   41    2   11 o  595.983  171.843   6.7987   3.3833   5.7103   4.6586   8.0133   4.9215  548.456  203.618  624.457  211.447 -76.00146 293.5476 
1 1 1   41    3    0 o  456.214  172.862   3.0783   3.3939   7.2357   4.7610  -1.2171   4.8394  621.986  207.982  398.525  180.438 223.4613 275.3441 
1 1 1   41    3    2 o  499.122  185.399   4.0318   3.8632   0.2625   6.8961   5.7557   4.6638  489.598  219.044  568.536  204.910 -78.93747 299.9473 
1 1 1   41    3    4 o  540.904  175.060   5.2886   3.3833  -2.2300   4.9805   11.731   4.6103  384.020  177.282  788.608  189.139 -404.5883 259.2348 
1 1 1   41    3    6 o  254.543  122.970  -4.1070   2.9699  -4.4595   4.2049  -3.7561   4.1951  315.209  150.741  324.804  153.964 -9.594391 215.4713 
1 1 1   41    3    8 o  327.811  146.676  -0.5927   3.0930  -1.4193   4.3227   0.2746   4.4277  367.239  167.922  404.967  178.657 -37.72794 245.1863 
1 1 1   41    3   10 o  655.795  173.520   8.1935   3.6184   8.1076   5.3392   8.2664   4.9209  628.695  219.954  637.249  211.390 -8.554871 305.0664 
1 1 1   41    4    1 f  309.057  141.489  -1.5433   3.0816   7.1953   6.6271  -3.9541   3.4809  629.159  240.792  287.807  137.501 341.3521 277.2860 
1 1 1   41    4    3 o  345.144  147.993   0.3814   2.8624  -2.6933   4.7130   2.1785   3.6031  366.533  170.337  430.457  173.567 -63.92398 243.1872 
1 1 1   41    4    5 o  439.824  166.930   2.8808   3.1683   7.1437   4.8707  -0.2459   4.1714  612.197  210.314  387.499  172.055 224.6986 271.7259 
1 1 1   41    4    7 o  449.237  172.860   3.0166   3.4269  -0.2845   5.7895   4.7969   4.2517  441.703  198.911  525.345  194.624 -83.64169 278.2877 
1 1 1   41    4    9 o  436.332  170.318   2.7667   3.3639  -1.4170   5.5080   5.2554   4.2481  410.507  188.384  536.859  195.247 -126.3520 271.3111 
1 1 1   41    4   11 o  764.110  167.101   10.963   3.8867   17.961   5.6779   4.7925   5.3317  956.040  196.242  529.127  211.915 426.9133 288.8233 
1 1 1   41    5    0 o  617.353  164.083   6.8790   3.2262   2.5558   4.8301   10.362   4.3351  480.705  198.260  747.464  185.974 -266.7589 271.8336 
1 1 1   41    5    2 o  515.438  170.281   4.6640   3.1943   4.2114   4.8794   5.0035   4.2256  524.955  205.068  539.323  194.944 -14.36823 282.9416 
1 1 1   41    5    4 o  470.233  166.276   3.6811   3.0570   6.7400   4.5065   1.0736   4.1607  600.246  202.340  418.744  178.958 181.5020 270.1244 
1 1 1   41    5    6 o  600.992  172.903   6.6996   3.4286   7.8664   5.5279   5.9701   4.3708  634.125  223.663  569.085  199.016 65.04077 299.3872 
1 1 1   41    5    8 o  570.262  175.399   6.0752   3.4371   14.561   5.6250   1.0190   4.3419  854.615  211.374  419.243  181.041 435.3718 278.3068 
1 1 1   41    5   10 o  699.782  165.580   9.1471   3.5716   2.7770   6.2766   12.197   4.3433  503.900  217.634  801.944  177.645 -298.0436 280.9310 
1 1 1   41    6    1 o  557.251  174.243   5.5806   3.3762   8.7989   4.6758   2.0751   4.8800  680.473  203.605  469.964  196.989 210.5089 283.3014 
1 1 1   41    6    3 o  266.530  127.367  -3.4992   2.9904  -6.5613   4.6165  -1.2854   3.9251  310.423  150.773  357.132  162.021 -46.70908 221.3222 
1 1 1   41    6    5 o  523.018  167.607   4.8942   3.1072   4.9936   5.1027   4.8356   3.9171  547.640  210.874  526.807  188.012 20.83282 282.5177 
1 1 1   41    6    7 o  497.626  175.673   4.2950   3.4110  -2.3729   5.5625   8.3132   4.3181  401.568  186.074  656.233  195.506 -254.6648 269.9005 
1 1 1   41    6    9 o  403.536  167.001   1.6513   3.4436   9.9927   6.1990  -2.0716   4.1413  687.168  237.195  347.480  160.850 339.6879 286.5911 
1 1 1   41    7    0 o  531.604  180.592   4.9150   3.5901   3.7262   5.1910   6.0049   4.9706  521.450  209.008  584.198  211.391 -62.74738 297.2716 
1 1 1   41    7    2 o  610.252  177.801   6.8225   3.6051   10.085   4.9528   3.1469   5.2574  724.758  207.611  506.265  207.593 218.4925 293.5935 
1 1 1   41    7    4 o  329.587  153.940  -2.7721   3.9274  -6.1118   4.8151   3.8656   6.7882  324.381  156.677  552.511  231.998 -228.1294 279.9478 
1 1 1   41    7    6 o  663.844  177.004   8.2144   3.7466   10.391   5.4719   6.2938   5.1406  720.020  221.286  585.839  214.517 134.1808 308.1961 
1 1 1   41    7    8 o  467.222  177.814   3.4168   3.6011   1.7890   4.8244   5.4647   5.4114  453.459  193.221  559.370  216.664 -105.9112 290.3060 
1 1 1   41    8    1 o  349.202  156.574  -0.8710   3.5441   0.3744   5.0220  -2.1067   5.0023  437.759  191.783  390.888  179.434 46.87064 262.6353 
1 1 1   41    8    3 o  452.165  173.896   2.9124   3.4669   7.9288   4.9861  -1.7824   4.8237  645.937  212.716  387.774  177.340 258.1634 276.9431 
1 1 1   41    8    5 f  779.258  191.213   11.452   4.6307   14.650   5.7290   5.4229   7.8652  867.582  212.558  599.947  250.671 267.6349 328.6592 
1 1 1   41    8    7 o  650.191  186.401   8.0104   3.9911   11.194   5.6412   4.8194   5.6474  743.415  223.910  548.838  218.674 194.5768 312.9761 
1 1 1   41    9    0 o  530.640  170.365   4.9352   3.2091   7.9067   4.9381   2.7628   4.2223  650.185  211.571  471.513  188.674 178.6721 283.4792 
1 1 1   41    9    2 o  230.822  113.911  -6.0376   2.9736  -0.3855   4.6964  -9.8198   3.8418  410.022  182.285  241.494  120.838 168.5279 218.6994 
1 1 1   41    9    4 o  483.656  174.916   3.8153   3.4026   5.3374   4.8040   2.2831   4.8200  558.144  206.858  472.406  196.710 85.73740 285.4556 
1 1 1   41    9    6 o  724.607  192.679   9.9745   4.4474   6.8562   5.5938   15.332   7.3324  607.852  223.591  848.429  255.217 -240.5768 339.3063 
1 1 1   41   10    1 o  395.071  163.528   1.2796   3.3027   4.4199   5.3031  -0.7101   4.2213  544.127  213.444  384.938  171.858 159.1890 274.0320 
1 1 1   41   10    3 o  293.643  136.018  -1.9959   2.9686  -0.5621   5.1245  -2.7200   3.6419  422.714  188.993  317.389  148.242 105.3255 240.1961 
1 1 1   41   11    0 o  396.420  166.143   1.0579   3.4707   2.4770   5.5003   0.1191   4.4737  501.956  209.667  414.282  181.267 87.67334 277.1606 
1 1 1   41   11    2 o  449.203  173.350   2.7698   3.4541   3.8203   5.4048   2.0445   4.4910  530.343  213.022  459.796  190.535 70.54697 285.8006 
1 1 1   42    0    0 o  355.803  219.980   2.2707   4.8386   2.2707   4.8386   2.2707   4.8386  355.803  219.980  355.803  219.980 -0.000000 0.000000 
1 1 1   42    0    2 o  588.291  268.609   8.9893   5.3821   8.9893   5.3821   8.9893   5.3821  588.291  268.609  588.291  268.609 -0.000000 0.000000 
1 1 1   42    0    4 o  555.317  255.574   7.9757   4.8764   7.9757   4.8764   7.9757   4.8764  555.317  255.574  555.317  255.574 -0.000000 0.000000 
1 1 1   42    0    6 o  315.419  202.675   0.9156   4.5711   0.9156   4.5711   0.9156   4.5711  315.419  202.675  315.419  202.675 -0.000000 0.000000 
1 1 1   42    0    8 o  540.623  254.568   7.7095   4.8548   7.7095   4.8548   7.7095   4.8548  540.623  254.568  540.623  254.568 -0.000000 0.000000 
1 1 1   42    1    1 o  607.522  176.117   6.8410   3.5451   3.5264   4.8998   10.482   5.1355  502.837  202.527  729.532  212.111 -226.6945 293.2718 
1 1 1   42    1    3 f  507.277  174.936   4.5331   3.3714   2.9971   4.7582   6.0818   4.7778  483.229  197.742  574.513  207.348 -91.28424 286.5222 
1 1 1   42    1    5 o  315.206  143.467  -1.1938   3.1097  -5.6134   4.4587   2.9924   4.3394  311.170  150.413  470.207  190.167 -159.0369 242.4619 
1 1 1   42    1    7 o  629.355  170.829   7.4767   3.4527   6.5451   4.8820   8.4091   4.8838  581.877  209.656  645.333  210.424 -63.45630 297.0425 
1 1 1   42    2    0 o  387.039  170.466  -0.0223   4.0146  -2.1968   4.8016   5.0292   7.3183  377.887  174.317  583.254  242.586 -205.3678 298.7210 
1 1 1   42    2    2 o  850.940  146.839   12.758   3.7712   10.310   5.5177   14.905   5.1661  716.023  222.567  888.799  191.294 -172.7766 293.4781 
1 1 1   42    2    4 o  574.859  173.785   6.1361   3.3936   5.6680   4.7631   6.6187   4.8362  559.604  206.250  591.006  209.122 -31.40228 293.7192 
1 1 1   42    2    6 o  548.891  174.972   5.6032   3.3896   10.248   4.7559   0.8075   4.8324  718.366  202.639  429.796  188.215 288.5696 276.5639 
1 1 1   42    2    8 o  562.986  177.984   6.0261   3.5130   11.425   4.8829   0.2336   5.0579  753.898  202.533  422.214  188.337 331.6842 276.5690 
1 1 1   42    3    1 o  718.300  180.171   9.6220   4.0453   9.2790   5.0007   10.271   6.8813  688.452  211.536  705.257  249.460 -16.80487 327.0742 
1 1 1   42    3    3 o  266.243  126.930  -3.2453   2.9336  -1.3739   3.9928  -5.4407   4.3245  356.180  162.290  308.346  148.819 47.83401 220.1938 
1 1 1   42    3    5 o  458.279  169.524   3.3995   3.2234   8.9949   4.4273  -2.9120   4.7021  679.119  196.799  358.975  167.920 320.1442 258.7024 
1 1 1   42    3    7 o  282.390  133.572  -2.8550   3.1251  -1.0836   4.1927  -5.0693   4.6878  366.994  166.864  326.649  156.988 40.34503 229.1044 
1 1 1   42    4    0 o  320.570  144.970  -1.0715   3.1131   4.2688   4.8615  -4.7832   4.0530  524.508  204.748  305.096  146.455 219.4117 251.7354 
1 1 1   42    4    2 o  279.766  133.471  -3.5915   3.2558  -2.8208   4.4281  -4.4984   4.8036  351.009  163.783  342.905  163.187 8.103241 231.2028 
1 1 1   42    4    4 o  293.349  136.356  -2.0407   3.0228   0.6890   4.4515  -4.3765   4.1179  417.304  181.748  312.149  149.248 105.1556 235.1752 
1 1 1   42    4    6 o  675.727  184.297   8.7505   4.0073   9.7071   6.4459   8.1480   5.1161  678.463  241.283  638.257  215.588 40.20538 323.5667 
1 1 1   42    5    1 o  406.842  162.591   1.9595   3.1312  -5.3319   4.7308   7.6440   4.1771  329.636  158.233  636.159  192.917 -306.5234 249.5086 
1 1 1   42    5    3 o  176.475   89.409  -8.6677   2.5151  -9.0174   4.2506  -8.4794   3.1198  267.003  132.548  213.391  107.077 53.61240 170.3947 
1 1 1   42    5    5 o  467.068  167.091   3.6650   3.0956   5.8197   4.9045   2.2382   3.9911  565.084  209.094  440.438  180.768 124.6465 276.4011 
1 1 1   42    5    7 o  315.937  146.246  -1.9135   3.4233  -0.5279   6.2645  -2.5034   4.0875  448.399  203.911  337.386  157.403 111.0133 257.5958 
1 1 1   42    6    0 o  606.618  175.249   6.7583   3.5157   9.8963   4.9496   3.5633   4.9944  715.178  208.325  508.836  204.638 206.3426 292.0205 
1 1 1   42    6    2 o  461.565  165.092   3.4927   3.0219   3.3731   4.9683   3.5630   3.8070  501.074  203.191  480.444  182.831 20.63025 273.3383 
1 1 1   42    6    4 o  296.039  136.700  -1.7589   2.9640  -1.4645   4.4508  -1.9935   3.9730  374.358  170.872  343.631  158.533 30.72690 233.0877 
1 1 1   42    6    6 o  412.171  167.603   1.9559   3.3912   3.3349   5.5087   1.1144   4.3033  505.654  210.402  420.389  180.887 85.26501 277.4689 
1 1 1   42    7    1 o  470.237  175.436   3.4495   3.4666   7.6217   4.8780  -0.8079   4.9275  633.023  210.489  408.173  183.687 224.8505 279.3682 
1 1 1   42    7    3 o  610.484  196.257   7.0319   4.2577   9.6262   5.1353   1.3271   7.6152  698.925  214.299  521.154  231.883 177.7715 315.7437 
1 1 1   42    7    5 o  278.324  134.363  -4.6648   3.5304  -6.6481   4.9671  -2.6401   5.0187  322.730  156.669  377.219  175.459 -54.48834 235.2254 
1 1 1   42    8    0 o  622.207  185.127   7.1655   3.8737  -1.5560   5.4500   16.070   5.5068  415.775  189.507  927.296  195.799 -511.5218 272.4889 
1 1 1   42    8    2 o  299.267  141.989  -3.5430   3.5839  -6.5052   5.0403  -0.5140   5.0968  329.644  159.488  419.663  187.994 -90.01877 246.5327 
1 1 1   42    9    1 o  590.172  182.435   6.3809   3.7131  -0.5413   6.2952   10.074   4.5980  460.807  207.474  729.403  196.783 -268.5950 285.9524 
1 1 1   42   10    0 o  284.500  135.712  -3.7813   3.3637 -10.2526   6.1613  -1.0336   4.0148  340.133  167.097  367.814  165.638 -27.68082 235.2812 
1 1 1   43    0    1 o  838.940  254.908   15.070   5.8456   15.070   5.8456   15.070   5.8456  838.940  254.908  838.940  254.908 -0.000000 0.000000 
1 1 1   43    0    3 o  304.464  199.198   0.2505   4.6981   0.2505   4.6981   0.2505   4.6981  304.464  199.198  304.464  199.198 -0.000000 0.000000 
1 1 1   43    0    5 o  337.783  212.766   1.7545   4.7510   1.7545   4.7510   1.7545   4.7510  337.783  212.766  337.783  212.766 -0.000000 0.000000 
1 1 1   43    1    0 o  832.551  153.238   12.376   3.8476   9.1431   5.2813   16.032   5.6169  676.284  218.703  911.459  202.105 -235.1748 297.7880 
1 1 1   43    1    2 o  470.245  174.225   3.6199   3.4073  -2.9242   4.8205   10.154   4.8167  363.688  170.091  716.383  204.581 -352.6954 266.0534 
1 1 1   43    1    4 o  327.452  148.501  -1.0270   3.2934   5.5248   4.6364  -7.6996   4.6790  549.225  203.285  297.189  145.922 252.0356 250.2359 
1 1 1   43    2    1 o  861.457  150.218   13.194   3.9047   6.0234   5.7101   19.492   5.3514  578.867  223.024  1033.51  171.366 -454.6432 281.2578 
1 1 1   43    2    3 f  727.518  189.827   10.221   4.3700   12.295   5.4668   6.5483   7.2731  777.962  216.490  601.726  245.154 176.2367 327.0595 
1 1 1   43    3    0 o  376.634  163.383   0.3995   3.5687   4.1978   4.5850  -5.4382   5.6842  513.474  199.282  365.935  175.070 147.5388 265.2600 
1 1 1   43    3    2 o  361.322  154.910   0.5798   3.1356   0.7844   4.6618   0.4108   4.2373  425.611  185.661  402.312  176.210 23.29877 255.9689 
1 1 1   43    3    4 o  493.312  174.509   4.2792   3.3675   5.0080   4.7381   3.5352   4.7871  534.598  203.841  493.278  199.653 41.32001 285.3288 
1 1 1   43    4    1 f  600.030  181.589   6.7606   3.7038   11.029   5.3141   2.7287   5.1649  741.641  215.808  486.062  203.115 255.5788 296.3591 
1 1 1   43    4    3 o  410.870  164.862   2.0816   3.2335   3.9103   4.9486   0.7191   4.2715  508.543  203.987  409.862  178.273 98.68127 270.9095 
1 1 1   43    5    0 o  366.909  154.336   0.9101   3.0127  -4.0837   4.7675   4.2299   3.8872  346.553  164.232  503.348  186.170 -156.7953 248.2565 
1 1 1   43    5    2 o  303.587  142.794  -2.8357   3.4807  -4.4225   5.0161  -1.3619   4.8340  351.244  167.039  390.495  178.175 -39.25177 244.2300 
1 1 1   43    6    1 o  336.909  151.103  -0.7339   3.3031   2.7429   4.8352  -3.7762   4.5230  479.115  198.053  339.931  160.760 139.1834 255.0857 
1 1 1   43    7    0 o  418.430  175.931   1.4385   3.9120   4.3973   6.2005  -0.5181   5.0423  549.832  225.449  415.943  186.610 133.8897 292.6612 
1 1 1   44    0    0 o  526.239  269.567   7.7166   5.6320   7.7166   5.6320   7.7166   5.6320  526.239  269.567  526.239  269.567 -0.000000 0.000000 
1 1 1   44    2    0 o  696.938  171.495   9.0931   3.7170   3.4584   5.2409   14.796   5.2726  501.679  206.669  873.080  197.486 -371.4014 285.8544 
#END OF REFLECTIONS
